smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C#CCSc1nc2c(c(=O)n1CC=C)C1(CCCCC1)Cc1ccccc1-2 2081366 FGFGAGCDQPJWPE-UHFFFAOYSA-N 376.525 4.580 30 40 GJEB N#Cc1c2nc3ccccc3nc2n2cc(NC(=O)c3ccc(Cl)cc3)ccc12 5024618 BMFFDTYKICQJGP-UHFFFAOYSA-N 397.825 4.813 30 40 GJEB OC(C/C(=N\Nc1ccccc1)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 5062842 IRZXGKZQUKSGNS-VULFUBBASA-N 394.290 4.888 30 40 GJEB C[C@H](Oc1ccccc1C#N)C(=O)N(CCc1ccccc1)Cc1ccccc1 6509007 FNZOWVPMOZVIDM-FQEVSTJZSA-N 384.479 4.597 30 40 GJEB CCOc1cc(C#N)ccc1O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 7509170 DPVHVOAQQGPLGN-JOCHJYFZSA-N 390.414 4.855 30 40 GJEB COc1cccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c1 12662288 VWUNKVZUKMJWPJ-BESOIZRISA-N 398.414 4.930 30 40 GJEB biogenic CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 39375676 RQZAXGRLVPAYTJ-SSVGBVEASA-N 384.516 4.575 30 40 GJEB biogenic O=C(O)c1ccc(Cn2cc(/C=N\c3cccc([N+](=O)[O-])c3)c3ccccc32)o1 408542022 JDARYOAFOJZAEZ-JJFYIABZSA-N 389.367 4.640 30 40 GJEB Cc1cccc(/N=C2\NC(=S)N(c3ccc(C(=O)O)cc3)C23CCCCC3)c1 705463 WEPHCBUVIYTZPW-UHFFFAOYSA-N 393.512 4.821 30 40 GJEB Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 4856021 XWHGQRSZCCNWII-AUEPDCJTSA-N 392.768 4.967 30 40 GJEB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1 5219697 CUDVQCKMXLOVDL-UHFFFAOYSA-N 392.484 4.637 30 40 GJEB N#Cc1ccc(C(=O)N(Cc2ccncc2)c2nc3c(F)cccc3s2)cc1 10254253 OJRSBQLMFBFTAY-UHFFFAOYSA-N 388.427 4.549 30 40 GJEB Cc1c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc2n1C 15009086 PWWHSANSDDQHLP-RGVLZGJSSA-N 387.464 4.595 30 40 GJEB COc1ccc(/C=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 17429148 CFAGABLRFKUFRN-PXLXIMEGSA-N 380.469 4.555 30 40 GJEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)n1 253369468 CWICEVOQFOQFIA-WPHHWPCJSA-N 396.575 4.869 30 40 GJEB CC(C)(C)[C@]1(C#N)C(=O)[C@@H]2[C@@H]3[C@@H](CC[C@H]21)C(=O)C3(c1ccccc1)c1ccccc1 607706722 OREHZVPSPLOUAD-VVDZRIMGSA-N 397.518 4.953 30 40 GJEB C=CCSc1nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2s1 2207413 DOAIWZYHLLELGE-UHFFFAOYSA-N 386.498 4.844 30 40 GJEB N#CCCn1cc(/C=C/C(=O)NCc2ccccc2)c(-c2cc3ccccc3o2)n1 2628681 PPYGZHTZHARKSY-VAWYXSNFSA-N 396.450 4.540 30 40 GJEB C=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccccc1F 3490978 PFJDSWIRUBEWIM-UHFFFAOYSA-N 391.475 4.814 30 40 GJEB Cc1ccc2nc(-c3ccc(/N=C/c4c(CO)cnc(C)c4O)cc3)sc2c1 5110459 HXOKQIAUSVUPMZ-BHGWPJFGSA-N 389.480 4.924 30 40 GJEB N#Cc1ccccc1OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1 6590872 XGYHMQFUWSIJJW-FQEVSTJZSA-N 386.476 4.817 30 40 GJEB CN(C)c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)cc1 16186405 BUBWEFNVPUZQNK-HZHRSRAPSA-N 375.428 4.708 30 40 GJEB Cc1ccc(C(=O)/C(=C(/S)Nc2cccc(Cl)c2)[n+]2ccccc2)cc1 17025371 HCVIDAFMHPONNI-UHFFFAOYSA-O 381.908 4.987 30 40 GJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 19831742 YEGHCVNCILBLKS-IRLDBZIGSA-N 385.463 4.737 30 40 GJEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2c[nH]c4ccccc24)C3=O)CC1 20646383 NWFINDBGMSEMCY-UUYOSTAYSA-N 388.467 4.722 30 40 GJEB N#Cc1ccc(CSc2nnc(NC(=O)CCCc3ccccc3)s2)cc1 40129066 GKNWEZNAJYMIRY-UHFFFAOYSA-N 394.525 4.663 30 40 GJEB CC(C)OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795756 PKUGURFWXNXJEI-UHFFFAOYSA-N 386.157 4.652 30 40 GJEB O=C(NCc1ccco1)c1c(/N=C/c2ccccc2O)sc2c1CCCC2 408845592 KRJDFNSOKWBYRH-FSJBWODESA-N 380.469 4.606 30 40 GJEB S=c1[nH]nc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1cccc(Cl)c1 5626430 STMHNEOUYCKQID-RGVLZGJSSA-N 380.864 4.533 30 40 GJEB N#Cc1c(N)sc(=S)c(C(=O)c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 6222799 QHVLUKGMIFLBKN-UHFFFAOYSA-N 393.449 4.738 30 40 GJEB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 8559232 HYCQDGXYOKQCBJ-KKSFZXQISA-N 390.874 4.656 30 40 GJEB C=CCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(C)cc2)C3)cccc1OC 12345904 DGRTUJASLHDSSW-OFFJZUQKSA-N 393.527 4.583 30 40 GJEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 215682324 UOQYRCCRAROABJ-CALCHBBNSA-N 379.529 4.525 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)S2)cc1 408966009 YPRRVXVVZXTKTJ-VGOFMYFVSA-N 379.268 4.899 30 40 GJEB C=C(C)COc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1 4340001 GWJGNVNGMYRFAT-UHFFFAOYSA-N 390.391 4.530 30 40 GJEB biogenic COc1ccc(-c2cs/c(=N\N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)[nH]2)cc1OC 5304943 ZRHNAWSYXPVSQK-ARZBGWABSA-N 385.533 4.863 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccoc1C 6912528 IZHBTHJVQFHQDR-UHFFFAOYSA-N 379.894 4.722 30 40 GJEB CC1(C)CC2=C(/C(=N/Nc3ccccc3)C1)[C@@H](c1ccccc1)[C@H]([N+](=O)[O-])O2 100929249 YCTTYYZDQYBKMX-RAORETRNSA-N 377.444 4.945 30 40 GJEB FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)OC1(F)F 103540202 NHBLPVMIOWIOJW-SSDOTTSWSA-N 398.065 4.717 30 40 GJEB O=C1/C(=C/c2ccccc2)S/C(=N\c2ccc(O)cc2)N1c1ccc(O)cc1 1235736 YSXSVVSODZHCHG-DJOYVXLESA-N 388.448 4.906 30 40 GJEB Cc1ccccc1NC(=S)N/N=C/c1cccc(OCc2ccccc2)c1 3281553 MEMICAADJPLMOX-HZHRSRAPSA-N 375.497 4.895 30 40 GJEB CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(Br)cc1 6387488 GPGSRAWZHIZRHZ-QMDZLVRISA-N 388.261 4.691 30 40 GJEB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 16162129 SPJSMYRAYVUHFT-UHFFFAOYSA-N 399.429 4.554 30 40 GJEB C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccoc1C 19296879 AAFNQOKPXZTPRK-LBPRGKRZSA-N 399.501 4.997 30 40 GJEB Cc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3ccccc3S2(=O)=O)cc1 32984141 YUSUTTZWEQUKRP-UHFFFAOYSA-N 389.476 4.953 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)cc3C)nc2c1 35315983 LZWVBDMYTBMMPW-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB CC(C)(C)c1ccc(C(=O)/C=C2\SCC(=O)N2Cc2ccc(C#N)cc2)cc1 58160861 FDNICPMPESJLKB-UUYOSTAYSA-N 390.508 4.655 30 40 GJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC)c4ccccc34)C2=O)s1 136080152 GTJQFEBTAJVBND-AIUYMRRNSA-N 395.509 4.680 30 40 GJEB C=CCOC(=O)c1ccc(OC(=O)c2cccc3ccccc23)c(OCC)c1 226306037 ZOZOJESIHJKRET-UHFFFAOYSA-N 376.408 4.801 30 40 GJEB CCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br 409076430 BBKBSWAZYRHOLS-PTNGSMBKSA-N 386.245 4.582 30 40 GJEB Cc1cc2ccccn2c1/C(=N/S(=O)(=O)c1ccc(F)cc1)c1ccccc1 5578540 WGBDGFBMTAYLLT-DARPEHSRSA-N 392.455 4.613 30 40 GJEB COc1ccc(/N=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)cc1OC 12407349 ABJMDFDQCQNNSF-HIXSDJFHSA-N 376.456 4.675 30 40 GJEB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1ccc(C#N)cc1 12993410 RFOQXWUKWOXYMI-UHFFFAOYSA-N 380.831 4.509 30 40 GJEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCCC 29747712 DBBSAZYUFHGLGK-HXUWFJFHSA-N 388.508 4.617 30 40 GJEB N#Cc1ccc(Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)nc1 42848316 PXVIQUUALYWQFL-UHFFFAOYSA-N 387.443 4.550 30 40 GJEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Br)o2)S1 59224273 WWIWHWZJJGBYOJ-GHXNOFRVSA-N 397.681 4.896 30 40 GJEB C#CCOC(=O)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 226317740 RDKWLVRLIVQVDM-UHFFFAOYSA-N 390.620 4.701 30 40 GJEB CC(C)Oc1ccc2ccccc2c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408568977 XTQMOTTUAKYKRA-CIAFOILYSA-N 394.387 4.889 30 40 GJEB CCOc1cc(Cl)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1OCC 408932126 UJXROPQBEXKISM-HZHRSRAPSA-N 388.895 4.725 30 40 GJEB CCOc1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)ccc1OCc1ccccc1 408982071 XLXCDPZYTZHVFA-UHFFFAOYSA-N 399.494 4.889 30 40 GJEB N#CCCN(C(=O)COC(=O)c1sc2ccccc2c1Cl)c1ccccc1 3238819 VQATYZADRQAKBF-UHFFFAOYSA-N 398.871 4.658 30 40 GJEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1OC(F)F 6048001 KHTPNHLTTPDJMR-QPJJXVBHSA-N 385.269 4.694 30 40 GJEB COc1cc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCC#N 6789278 MXVPLPRRMJOUEN-FYWRMAATSA-N 398.462 4.517 30 40 GJEB COc1ccc(-c2ccc(C#N)c(S[C@@H](C(=O)O)c3ccccc3)n2)cc1 12249731 FABWCDWWVBLBPB-LJQANCHMSA-N 376.437 4.547 30 40 GJEB COc1c2c(cc3c1[C@@H](CC(=O)/C=C/C(C)(C)CC=C(C)C)N(C)CC3)OCO2 20111889 ONOPZUMQDQIUCO-UFUQCMIWSA-N 399.531 4.851 30 40 GJEB biogenic N#Cc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 28276212 SHYDIXXJCHGWIZ-UHFFFAOYSA-N 384.464 4.751 30 40 GJEB CCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1OCC 408860121 VXLPQQBUVFJGIF-PDGQHHTCSA-N 386.448 4.515 30 40 GJEB COc1ccc(/C=N\n2c3ccccc3c3ccccc32)cc1OCCN(C)C 1729963 UFUIDDYVXNTKHH-UQQQWYQISA-N 387.483 4.626 30 40 GJEB Cc1ccc(S(=O)(=O)OCC[C@@](O)(c2ccccc2)C2CCCCC2)cc1 2166690 IUSABRDBRWPFEW-JOCHJYFZSA-N 388.529 4.559 30 40 GJEB C=CCNC(=O)[C@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 7177859 ZJMZCZNHQDCRAD-NSHDSACASA-N 375.544 4.650 30 40 GJEB CC[C@H](CNC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)c1C#N)c1ccccc1 7223800 HNOIZMXJHUZGGS-QZTJIDSGSA-N 381.545 4.669 30 40 GJEB COc1cc(OC)cc(C(=O)/C(=C\c2ccncc2)c2nc3ccccc3o2)c1 9423744 CRISLFSTZJPPFL-YBFXNURJSA-N 386.407 4.664 30 40 GJEB O=C(c1ccccc1Br)N1CCCS/C1=N\c1ccccc1 12488307 LJYZJTMOCIOFMW-ZPHPHTNESA-N 375.291 4.716 30 40 GJEB COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Br)c1O 1091139 ZJEXLKFQADRTGR-AWQFTUOYSA-N 391.290 4.726 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 1354252 CYULTLBKPRNZRF-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB COc1cc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC#N 6640610 BFCVJWJSHVFBGJ-HWKANZROSA-N 377.227 4.556 30 40 GJEB O=C(Nc1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1)c1ccccc1Cl 16976072 KTQZMLVSLDMAFG-RGVLZGJSSA-N 391.810 4.914 30 40 GJEB CCCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O 51367003 GICNSIHFHINLAU-UHJWXMBMSA-N 383.492 4.850 30 40 GJEB N#Cc1ccc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)c(F)c1 71889682 YSTKRPPPNNKZSY-LJQANCHMSA-N 388.446 4.517 30 40 GJEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 226336016 CUDYDKOUCVKUKL-RMKNXTFCSA-N 376.811 4.809 30 40 GJEB CCCCCCCOc1ccccc1C(c1c(O)n[nH]c1C)c1c(O)n[nH]c1C 409005813 WNPWUXHRIKTZCR-UHFFFAOYSA-N 398.507 4.690 30 40 GJEB C=CCc1cccc2cc(C(=O)Nc3cccc(OCCCC)c3)c(=O)oc12 4714586 MTCASIIENATNFM-UHFFFAOYSA-N 377.440 4.953 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)S2)cc1 5376873 LSWQDPUEISALQS-RGEXLXHISA-N 394.496 4.707 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C(\Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 5541450 FYIPOPSKOCRNIR-ZBJSNUHESA-N 376.372 4.562 30 40 GJEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 6046370 FEHNDNMVVGVIMD-HSZRJFAPSA-N 398.462 4.776 30 40 GJEB COc1ccc(/C=N/Nc2cc(C)nc3cc4c(cc23)OCO4)c2ccccc12 13208328 CKOMSNKOFOULQF-WYMPLXKRSA-N 385.423 4.880 30 40 GJEB Cc1ccc(Oc2ccccc2NC(=O)c2ccc(NC(=O)CC#N)cc2)cc1 14170837 OBMHBALXLFRSLA-UHFFFAOYSA-N 385.423 4.892 30 40 GJEB Cc1cc2c(cc1/C=C1\S/C(=N\c3cc(Cl)ccc3C)NC1=O)OCO2 17299728 ZFENYOSYJRTPKQ-IDUWFGFVSA-N 386.860 4.577 30 40 GJEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913756 PSGAAPLEWMOORI-BMHIUQAOSA-N 386.532 4.655 30 40 GJEB in-vitro C=CCN(c1ccccc1OCC)S(=O)(=O)c1cc(Cl)ccc1Cl 224930212 NWXLQZHPLKSWNR-UHFFFAOYSA-N 386.300 4.773 30 40 GJEB CCn1ncc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)c1F 252511065 ZSUHEXOCHNUEED-GZIVZEMBSA-N 394.788 4.536 30 40 GJEB Cc1oc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)c(C#N)c1C 408666515 UYTFDQBDBBWSSA-WYMPLXKRSA-N 386.459 4.508 30 40 GJEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1C 409116165 LWYYTBNPSQXAHB-SSDVNMTOSA-N 383.839 4.805 30 40 GJEB CCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1 409386675 WNAIDEPSHQCZBF-YDZHTSKRSA-N 379.412 4.878 30 40 GJEB N#C[C@H](C(=O)CCC(=O)[C@@H](C#N)c1ccccc1Cl)c1ccccc1Cl 1613811 GMNPUVLIRBJBNW-HOTGVXAUSA-N 385.250 4.826 30 40 GJEB C/C(=N\Nc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1OC(F)F 5416203 ZQYVEMACMRZFCJ-ZVBGSRNCSA-N 387.289 4.634 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 5632470 CIHFRZYYAQTTOF-CQSZACIVSA-N 397.569 4.898 30 40 GJEB C=CCOc1c(I)cc(/C=N/c2ccccc2)cc1OC 8111087 MLWXKFCRYOBOPQ-XDHOZWIPSA-N 393.224 4.615 30 40 GJEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1cccnc1)C2=O)CC(C)C 20518871 SWPUZFZJGPFIEY-FBHDLOMBSA-N 380.488 4.517 30 40 GJEB N#C[C@@H](C(=O)c1cc(=O)c2ccccc2o1)c1nc(-c2ccc(F)cc2)cs1 32682266 UCELUCIJQDQZBV-HNNXBMFYSA-N 390.395 4.546 30 40 GJEB CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2)c1C#N 96306033 JECMASHLZSYBHE-UHFFFAOYSA-N 385.345 4.606 30 40 GJEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)c(Br)o1 408951361 IWCHJBVRVRXHSV-GIDUJCDVSA-N 388.015 4.772 30 40 GJEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C(C)C)cc1 409284980 MNAITWQNIWBJOQ-UHFFFAOYSA-N 398.304 4.727 30 40 GJEB CCCCCCCc1ccc(C(=O)Cn2c(NCCO)nc3ccccc32)cc1 1797293 PYGWNMMWIPZTKQ-UHFFFAOYSA-N 393.531 4.836 30 40 GJEB O=C(/C(=C(\O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc2ccccc2c1)c1ccccc1 4671205 MNJILGFBGCNOGF-UHFFFAOYSA-O 397.410 4.802 30 40 GJEB CCc1nc(CSc2nc(C)c(C(=O)Nc3ccccc3)cc2C#N)cs1 12937034 KDRHLVFUHQVSBX-UHFFFAOYSA-N 394.525 4.825 30 40 GJEB CCSc1nncn1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 36611483 YCIHCQKFJJVLHP-DNTJNYDQSA-N 397.287 4.751 30 40 GJEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3nc2Cl)o1 41107542 HKHHELRNSKMZGQ-SRZZPIQSSA-N 393.790 4.897 30 40 GJEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224945031 PKNAGWCWDPFFNM-UHFFFAOYSA-N 398.311 4.940 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409098573 QRCMFJAQYSUGBP-OQLLNIDSSA-N 390.804 4.731 30 40 GJEB N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)cc1C(F)(F)F 525797871 HGBWWDWMFFYIRN-UHFFFAOYSA-N 390.752 4.668 30 40 GJEB COc1cc(F)c(F)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242630 AEBYIVIBDIHAKH-UHFFFAOYSA-N 390.148 4.624 30 40 GJEB C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@@H]3[C@@H](C=NNc3ccccc3)[C@H]1C[C@H]42 1559522219 YOIXAKPYNYEUBR-MCXSZDHESA-N 399.562 4.631 30 40 GJEB CO/N=C/C(=C\Nc1ccc(OC)cc1)c1ncc(C(F)(F)F)cc1Cl 4050581 ZYACZVKJWBDDCT-RFIIYGPESA-N 385.773 4.848 30 40 GJEB Cc1ccc(S(=O)(=O)OC[C@]2(F)CC2(c2ccccc2)c2ccccc2)cc1 4934345 FANRTTXMABLJAG-JOCHJYFZSA-N 396.483 4.799 30 40 GJEB O=C(O)c1ccccc1N/N=C/c1ccc(-c2ccc(Br)cc2)o1 5554998 BIYHCPSDMIKYRE-RGVLZGJSSA-N 385.217 4.853 30 40 GJEB COc1cccc(-n2c(SCc3cccc(C#N)c3)nc3ccccc3c2=O)c1 6028393 IZXBJWUQRCQEEV-UHFFFAOYSA-N 399.475 4.558 30 40 GJEB CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 6677832 GLUNZONSTMJPHY-HNNXBMFYSA-N 395.315 4.719 30 40 GJEB COc1cc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 16662966 ZNPPZJDWWVMMTF-SRZZPIQSSA-N 383.473 4.590 30 40 GJEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197150 NCYABSFJOOVHIP-QFIPXVFZSA-N 379.456 4.667 30 40 GJEB N#Cc1ccc(F)c(CN2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 26604871 OUASJKHQNRIAFJ-GOSISDBHSA-N 392.261 4.607 30 40 GJEB C=C(C)COc1cccc(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)c1 79019668 PLKQYGVGKRMXEL-QFIPXVFZSA-N 380.488 4.545 30 40 GJEB CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 102270902 OPGFGDNFRNOFSE-MZFVBCRUSA-N 385.463 4.783 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)/C1=C(O)/C=C/c1ccccc1 102882357 CBOKZQFFLNPCNE-QMIZFSBKSA-N 381.431 4.869 30 40 GJEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916081 LNURYWGKYJSNOL-TYLKQZEESA-N 396.575 4.869 30 40 GJEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OCC)c1O 408901939 JDYJKAPTOMBRHA-QGOAFFKASA-N 397.521 4.925 30 40 GJEB N#CCn1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc21 409123387 GSRFWTBASQJRQH-XDHOZWIPSA-N 379.485 4.781 30 40 GJEB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCC#N)cc1)N2 409154674 OCWFWPVWWMHIHI-GQIGUUNPSA-N 394.858 4.855 30 40 GJEB N#CC1(c2ccccc2)CCC(NCc2cc(Cl)c3c(c2)OCCCO3)CC1 8429070 SRJYBNGDNUNTMG-UHFFFAOYSA-N 396.918 4.995 30 40 GJEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccccc1)COCC2 8706667 CKICSUIKEZZEIT-UHFFFAOYSA-N 386.476 4.668 30 40 GJEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccccc1C 12602580 RKWKGRNCPIYSJT-JZMJZRGMSA-N 386.318 4.700 30 40 GJEB Cc1nc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1C#N 31875558 XAHPDTFPZNQVMM-UHFFFAOYSA-N 389.267 4.944 30 40 GJEB CCOc1ccc(/C=N/N=c2/[nH]c(-c3ccccc3)c(C)s2)c(OCC)c1 59193895 OFDFNNKUKICGEN-HYARGMPZSA-N 381.501 4.784 30 40 GJEB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C#N 225677312 TWXBRHUNLHSZNU-UHFFFAOYSA-N 393.443 4.704 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(OC(C)C)c(Br)c2)C(=O)N1CC 408857897 NKRTXDYHEUKXOQ-VUDPKCRPSA-N 397.338 4.548 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=N\c1cccc(I)c1 408959575 BFNAMQKTZBKIPZ-MOSHPQCFSA-N 390.268 4.950 30 40 GJEB Cc1nc(N/N=C/c2ccc(OC(=O)c3c(F)cccc3F)cc2)sc1C 409018022 HCIITGVYIJRYFE-LSHDLFTRSA-N 387.411 4.703 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 907334 XHPSTRTUOQEDTJ-UHFFFAOYSA-N 397.887 4.889 30 40 GJEB CC(=O)c1ccc(/N=C2\N/C(=N/c3ccc(C(C)=O)cc3)c3ccccc32)cc1 3070215 KCQOUJHIYKGHEN-UHFFFAOYSA-N 381.435 4.852 30 40 GJEB CCCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 4106408 SFKSPMHVKMOVIH-QGZVFWFLSA-N 386.496 4.577 30 40 GJEB Cc1ccc(C)c2nc3c(cc12)CN(C[C@@H]1CCCO1)/C(=N\CC(C)C)S3 4967329 WPZQYQMERSOPKA-CCWVLBSLSA-N 383.561 4.950 30 40 GJEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)cc1Cl 5895210 XZOJQPAXWCPFDA-KEBDBYFISA-N 385.763 4.652 30 40 GJEB CC(C)c1ccc2nc(SCC(=O)NCc3ccccc3)c(C#N)cc2c1 35311877 JFSPSLDOZKTDQQ-UHFFFAOYSA-N 375.497 4.638 30 40 GJEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 208205081 RVYCSFFJYMABTI-LNOXHEFASA-N 397.435 4.671 30 40 GJEB C=CCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1OC 408988774 JGHBZIRXSZOZRL-UHFFFAOYSA-N 382.485 4.906 30 40 GJEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccccc1 2646846 CASARQFKYQHNHU-UHFFFAOYSA-N 399.903 4.672 30 40 GJEB N#CCCn1nc(-c2ccccc2)cc1-n1c(C(F)(F)F)nc2ccccc21 4005311 ADKQOIQFGWKBOU-UHFFFAOYSA-N 381.361 4.821 30 40 GJEB N#C/C(=N\Nc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 4175396 DGCGGKAUXJQAMT-OEAKJJBVSA-N 382.832 4.532 30 40 GJEB CCCC/N=C1/S/C(=C/C(=O)Nc2ccc(Cl)cc2)C(=O)N1CCCC 4704089 ZJLONSZVOKMRCP-CCFKZCBPSA-N 393.940 4.694 30 40 GJEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)n1-c1ccc(F)cc1 5393827 CRGRELMKOBHLGR-ACCUITESSA-N 383.806 4.953 30 40 GJEB CCOc1c(Br)cc(/C=C/C(=O)c2cccc(OC)c2)cc1OC 6340356 AQSCRJIHFXITSW-CMDGGOBGSA-N 391.261 4.761 30 40 GJEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(OCC)cc2)NC1=O 6870438 ICCKLCLWAAJFIH-RGEXLXHISA-N 380.469 4.542 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 8463399 RQUYKRCFUOCIOT-OAQYLSRUSA-N 378.497 4.663 30 40 GJEB C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 15188149 QJPIVVWFQDOUMI-HLACBESGSA-N 397.435 4.574 30 40 GJEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(-c2ccccc2C#N)cc1 23627164 ZOJDKNNOPHVQBB-IBGZPJMESA-N 393.494 4.999 30 40 GJEB C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@](O)(c1ccccc1)C1CC1 84638122 ZEELQXUDOPHBNZ-HXUWFJFHSA-N 375.921 4.604 30 40 GJEB C=CCN1C(=O)S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O 409132374 ZNKDOXAUUUHDNI-MTJSOVHGSA-N 399.475 4.784 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O 4142205 ZVAYFZMLYSAWBC-SSDVNMTOSA-N 377.331 4.998 30 40 GJEB CCN(CC)c1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 5003202 LKTXNYDRSVBPLJ-ZMOGYAJESA-N 379.533 4.862 30 40 GJEB C[C@H]1CN(C(=S)NCCc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 6084387 WXXQXDMLDNPZES-RPIBDXEDSA-N 389.977 4.882 30 40 GJEB COc1ccc(CC(=O)Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 13624195 ZDBSNUADFPNEFW-UHFFFAOYSA-N 388.379 4.861 30 40 GJEB CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OCC#N)cc12 68755365 NQFSACSORXHBFC-UHFFFAOYSA-N 383.245 4.806 30 40 GJEB CCCCCCCCCCCCS(=O)(=O)Nc1cc(N)ccc1[N+](=O)[O-] 100959385 HOMJOSJDXQKOOQ-UHFFFAOYSA-N 385.530 4.840 30 40 GJEB N#CCCOC[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 221836884 GJIOBJXBJWRYBP-BDODKLCJSA-N 383.917 4.768 30 40 GJEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3)cc2[N+](=O)[O-])cc1 1424887 CLTXJOFVGJPOHY-HYARGMPZSA-N 376.368 4.573 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 2063668 HLUNJRRTEFLSSE-IBGZPJMESA-N 387.907 4.897 30 40 GJEB CC(=O)c1ccc(NC(=O)/C=C/c2cn(CCC#N)nc2-c2ccc(C)cc2)cc1 2628671 JAXQIDLVGAGVQR-JLHYYAGUSA-N 398.466 4.627 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)S2)c(C)c1 4106735 VOMFYWMBVBOUAZ-ZHZULCJRSA-N 377.513 4.795 30 40 GJEB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2sccc2C#N)n1 9995880 CCQBAILJNLFKKX-UHFFFAOYSA-N 380.498 4.571 30 40 GJEB O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1nc2ccccc2s1 11331987 RICUASYLZCZZRH-CMDGGOBGSA-N 376.359 4.693 30 40 GJEB CCOc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)ccc1O 12464705 VGVSITJJCYHNJC-DOGHIQQUSA-N 382.485 4.642 30 40 GJEB COc1ccc(-c2csc(/C(C#N)=N\Nc3cccc(Cl)c3)n2)cc1OC 16960071 DGKADEHJOJDJHF-IWIPYMOSSA-N 398.875 4.820 30 40 GJEB CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccs2)cc1 18222370 CUZCIZKXDZNJEI-HRAATJIYSA-N 390.512 4.879 30 40 GJEB N#Cc1ccc(F)c(CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 26460007 WIXQSXOQTVPVQW-GOSISDBHSA-N 392.261 4.607 30 40 GJEB C#CCOc1ccc(CN[C@H](C)c2ccc(Br)cc2)cc1OCC 39976530 UIBKECNEEJVULV-OAHLLOKOSA-N 388.305 4.711 30 40 GJEB Cc1[nH]c2ccccc2c1C/C=N/c1ccccc1-c1nnc(=S)[nH]c1O 54363781 LMBKCVZQQDYNHQ-SRZZPIQSSA-N 375.457 4.642 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 98087385 PWQGLTOZXWPJJS-KKODUWOPSA-N 394.559 4.789 30 40 GJEB CCCCCCCCC[C@H](O)CCC[C@H](O)[C@H](O)CCCCCCC(=O)O 100114084 JHAAEJPYWGVVFN-HBMCJLEFSA-N 388.589 4.805 30 40 GJEB CC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118926836 JZHUYBXYJAGJBU-KATGHBRMSA-N 387.520 4.800 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 214348317 OPKRFLDJEDITMI-XDHOZWIPSA-N 399.443 4.636 30 40 GJEB COc1cccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)c1 408748401 CYVBNMNFPXWMFR-OVCLIPMQSA-N 379.268 4.894 30 40 GJEB N#Cc1ccc(-c2oc3cc4c(cc3c2-c2cc3c(cc2O)OCO3)OCO4)cc1 524731319 SKRKABYUKCUGTF-UHFFFAOYSA-N 399.358 4.801 30 40 GJEB biogenic COc1cc(/C=N/n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)ccc1O 2341517 JRTCBACAQWZDRY-CIAFOILYSA-N 382.489 4.502 30 40 GJEB C=CCn1c(SCC(C)C)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 2361852 HDBMLBDYLHMKBJ-LJQANCHMSA-N 378.563 4.634 30 40 GJEB Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)sc2c1 4273151 WQMUEAFMWOXQFP-UHFFFAOYSA-N 384.464 4.718 30 40 GJEB COc1ccc([C@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CCC3)c(OC)c1 4944893 LRZZTLYKPBPSIB-GOSISDBHSA-N 391.467 4.540 30 40 GJEB COc1cccc([C@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)c1OC 24107013 TYQFISKKFAJDHQ-FQEVSTJZSA-N 398.466 4.696 30 40 GJEB Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1C 32984104 MTDMNHRMSNSEAF-UHFFFAOYSA-N 389.476 4.953 30 40 GJEB C=CCOc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 44949695 HIQOOMHKTFJTAR-UHFFFAOYSA-N 381.453 4.845 30 40 GJEB CC(C)(C)N(CC#C[C@@](O)(c1ccccc1)c1cccnc1)Cc1ccccc1 61868484 KDFDOFVYKKKKHC-AREMUKBSSA-N 384.523 4.622 30 40 GJEB CCOc1cc(/C=C/C(=O)N(CCC#N)C(C)(C)CC)cc(Cl)c1OC 97165012 PEUVJDFKIFWDCI-MDZDMXLPSA-N 378.900 4.691 30 40 GJEB COc1ccc(-c2cc(-c3ccc(Br)cc3)c(N)c(C#N)n2)cc1 226757581 WZBVNPOHDPMWMN-UHFFFAOYSA-N 380.245 4.641 30 40 GJEB COc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1 408590163 GJSGTGANOQVADR-LPYMAVHISA-N 379.416 4.562 30 40 GJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 808038 CYULLFRAVQRMSA-KRWDZBQOSA-N 375.472 4.532 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 1959645 SEUNRNKCKFADNI-SECBINFHSA-N 375.837 4.558 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 2293653 HVDJXWVYUZBSHB-ZDUSSCGKSA-N 398.553 4.859 30 40 GJEB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)c1ccc(N2CCCC2=O)cc1 7325183 GCFYJYTWIBIVII-RUDMXATFSA-N 397.858 4.524 30 40 GJEB CC(=O)Nc1cccc(/N=C2\NN=C(C34CC5CC(CC(C5)C3)C4)CS2)c1 26144279 SGCLCKKBAXUKBN-UHFFFAOYSA-N 382.533 4.541 30 40 GJEB CCCCOc1ccc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)cc1OC 137823198 BNUJOAZKKLVJTD-NLZDDQPGSA-N 388.514 4.748 30 40 GJEB CC/N=C1\S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C(=O)N1CC 208453237 MDWMSIIHPLXQEO-RINAVELBSA-N 383.561 4.939 30 40 GJEB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c(C#N)c(C)c1C 5089424 MIWWEUWWRUVGHM-UHFFFAOYSA-N 379.407 4.628 30 40 GJEB N#Cc1ccc(-c2ccc(OC(=O)Cc3cnn(-c4ccccc4)c3)cc2)cc1 12909635 QGEINQCGKRBRKS-UHFFFAOYSA-N 379.419 4.559 30 40 GJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3 20827066 RGELWQWWGGEGNO-UHFFFAOYSA-N 389.590 4.619 30 40 GJEB O=C1/C(=N\Nc2ccc(Cl)cc2)c2ccccc2N1CCOc1ccccc1 46085112 ZDXQQOHJSBTHNM-DAFNUICNSA-N 391.858 4.582 30 40 GJEB N#C[C@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc2noc(-c3ccccc3)c2c1 107092884 HNRVIAMNYBJJSE-OXQOHEQNSA-N 383.407 4.733 30 40 GJEB Cc1nnc(S)n1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408858788 POBQABJHKZBYAM-AWQFTUOYSA-N 393.299 4.643 30 40 GJEB CCCOc1ccc2ccccc2c1/C=N\Nc1nc(C)cc(COC)c1C#N 409005182 DDYCYYSRPBVLJT-QFEZKATASA-N 388.471 4.796 30 40 GJEB Cn1nc(C(F)(F)F)c(/C=N/OCc2ccc(Cl)c(Cl)c2)c1Cl 3041178 WJHSRZRULYUEIS-DENHBWNVSA-N 386.588 4.950 30 40 GJEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccc(O)cc1 5376347 NIRHQEJWNAPCIA-AUWJEWJLSA-N 398.793 4.956 30 40 GJEB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\NC1CCCC1)c1ccccc1 7141057 GKLFBBFCMIFSGW-UHFFFAOYSA-N 398.572 4.960 30 40 GJEB N#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(Cl)c1 7858039 KERDUYZZTKCRNJ-FQEVSTJZSA-N 382.872 4.558 30 40 GJEB COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)ccc1O 8322743 FFLCVOPPAAYEQN-CSKARUKUSA-N 386.810 4.584 30 40 GJEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)c(C)c1 12447086 IUMYWMYOKBEWND-ZABCRHKISA-N 395.528 4.510 30 40 GJEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N\Nc2nc3ccccc3[nH]2)o1 16525088 CZJASIMTWURMPT-JMIUGGIZSA-N 381.779 4.831 30 40 GJEB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1ccc(N2CCCCCC2)o1 27571012 IBPPVKBJZSDADR-GHRIWEEISA-N 385.464 4.691 30 40 GJEB CN(/N=C/C(/C=N/N(C)c1ccccc1)=NNc1ccccc1)c1ccccc1 100954986 SRWJBMHKFFQGAP-SIHVKLMXSA-N 384.487 4.699 30 40 GJEB CCCCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 408709784 XALKEKJMCGGQHZ-UHFFFAOYSA-N 378.822 4.774 30 40 GJEB C#CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OCC 409115481 RTGNPSIUCWITNS-ZHZULCJRSA-N 375.468 4.641 30 40 GJEB CCCCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc1 2321029 FKRNVYLTZIOMQQ-WYMPLXKRSA-N 394.862 4.592 30 40 GJEB O=C(O)c1ccc(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 5555000 AYLYXZJKCFQSJQ-RGVLZGJSSA-N 385.217 4.853 30 40 GJEB COc1cc(/C=N/Nc2nc3ccccc3s2)cc(Br)c1OC 6180781 JJTPIJAEXNZJCQ-GIJQJNRQSA-N 392.278 4.522 30 40 GJEB CC/C(=N\Nc1ccc(C(F)(F)F)cn1)c1cc(Br)ccc1O 7855085 JXACQHNFILQWOL-CIAFOILYSA-N 388.187 4.795 30 40 GJEB Cc1c(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)oc2ccccc12 32911154 NGPSHNRQYWUTRZ-BKUYFWCQSA-N 389.451 4.779 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 102798676 GVFRHVZITWAXHK-YDJIHCHBSA-N 381.447 4.828 30 40 GJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 226336697 YIMPFRYJSIVAPD-WEVVVXLNSA-N 376.811 4.809 30 40 GJEB C#CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408557434 NJZGAMJVYRXUND-SFHVURJKSA-N 378.280 4.784 30 40 GJEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)S1 408777828 JTVQBHYBWAZYLN-NDENLUEZSA-N 388.496 4.689 30 40 GJEB CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc21 3167680 PZHBPVKRZHDXME-UHFFFAOYSA-N 375.457 4.570 30 40 GJEB O=C1C=C(/C=C/c2cccs2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])c1 4074165 AKCYRUIIQGBLSN-XWMIQMMGSA-N 397.481 4.852 30 40 GJEB CCC[C@@H](NC(=O)CSc1nc2ccccc2n1CCC#N)c1ccccc1 12603909 SBTMMFXWIRJPKO-GOSISDBHSA-N 392.528 4.700 30 40 GJEB C=CC/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(OC(F)F)cc1 12604390 XWHWLNTUJZQTIH-ZBJYABMISA-N 391.468 4.848 30 40 GJEB N#C[C@]1(c2nc3ccccc3s2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 12699597 WDKULCAFDLBKAR-PZJWPPBQSA-N 390.468 4.581 30 40 GJEB O=C(O)c1ccc(Cn2cc(/C=N\c3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 408543133 PITWDCOGBBAHNR-JJFYIABZSA-N 389.367 4.640 30 40 GJEB C=CCOc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1OC 408553690 AVWHWTDEZNCFGZ-UHFFFAOYSA-N 393.237 4.543 30 40 GJEB CCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 408628626 VNMNYUZLFCATCN-GFCCVEGCSA-N 377.579 4.774 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3ccccc3C(=O)OC)o2)nc2ccccc21 408692684 SDDNEWZIVKDMFE-OEAKJJBVSA-N 388.427 4.549 30 40 GJEB C#CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl 409100170 QISQMEFIWPCMLL-ZSOIEALJSA-N 377.749 4.864 30 40 GJEB CC(=O)OC[C@H]1CC(=O)C=C2CC[C@H]3[C@@H](CC[C@@]4(C)[C@H](C(C)=O)CC[C@H]34)[C@]21C 521205737 DHLPPJXZMGAVDG-APEJFSNASA-N 386.532 4.513 30 40 GJEB COc1ccc(Cl)cc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 899076 JVTZJHHRTHCRDZ-UHFFFAOYSA-N 397.887 4.808 30 40 GJEB O=C(C(Sc1ccccc1[N+](=O)[O-])=C1Nc2ccccc2N1)C(F)(F)F 3227161 SKZANNYZAJHJBE-UHFFFAOYSA-N 381.335 4.525 30 40 GJEB COc1cc(/C=C\C(=O)c2cc(Cl)cc(Cl)c2OC)cc(OC)c1OC 33376733 SPCHKQYGLVDXAM-WAYWQWQTSA-N 397.254 4.924 30 40 GJEB C=CCc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)cc(OCC)c1O 33714372 OCDGWDXHMVCZRL-UYRXBGFRSA-N 394.496 4.719 30 40 GJEB CCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100732940 NRQDIJMGRGMJSE-ZRCGQRJVSA-N 382.609 4.808 30 40 GJEB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccc(OC)cc2)NC1=O 408604484 UUIFHZGOPHDZSG-RMENWYJGSA-N 382.485 4.764 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3C)c2C)cc1 408742097 MYFVZIXWKLAIGL-ZMOGYAJESA-N 390.439 4.638 30 40 GJEB COc1cc(/C=N\c2cc(C)ccc2C)ccc1OCc1ccc(C(=O)O)o1 409386991 YEDQDOMZHBTZOC-FMCGGJTJSA-N 379.412 4.933 30 40 GJEB N#C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Cl)cc1 1628132373 DGEBOTVJEMAJTK-MRXNPFEDSA-N 377.753 4.835 30 40 GJEB CCCCCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)cc1 3039885 KQYUCIZCCRBSOG-OQKWZONESA-N 388.533 4.657 30 40 GJEB CCc1nc(SCC(=O)Nc2ccc(Cl)cc2)c(C#N)c2c1CCCC2 4562503 TUOYYQBHPYZNRN-UHFFFAOYSA-N 385.920 4.779 30 40 GJEB CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc(Cl)c1O 12465529 HNWKFGBQGSIYTL-XKOOYEHJSA-N 388.876 4.678 30 40 GJEB C=C(C)CN(CC)C(=O)CSc1nnc(Nc2cccc(Cl)c2C)s1 12781851 BKCADOWKHAFDKB-UHFFFAOYSA-N 396.969 4.760 30 40 GJEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N\c3ccc(C)cc3C)c2=O)cc1 101579381 XLSQUTVXVMSOPL-UUYOSTAYSA-N 379.485 4.531 30 40 GJEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O 223565260 XTPIHFDXOLAWBV-CCRNYGKSSA-N 382.529 4.857 30 40 GJEB COc1cc(=O)oc(/C(C)=C/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@H]23)c1C 225396373 LRRJYOPCACBLEA-MNYYENQFSA-N 386.488 4.588 30 40 GJEB biogenic,in-vitro COc1c(C)cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C 575242855 PMPPSFJGCSDDID-UHFFFAOYSA-N 382.222 4.963 30 40 GJEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 981779 LRZRSSDFZPKYGN-GDNBJRDFSA-N 390.258 4.931 30 40 GJEB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCC2 1023196 LLQWFSAZUSPPDP-MRXNPFEDSA-N 396.541 4.884 30 40 GJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 2066362 ONAWEHKNWZRGSC-OAQYLSRUSA-N 397.515 4.643 30 40 GJEB CC1=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(F)cc3)N2C(C)=C1 4603001 LOOXVKCINBGWBW-UHFFFAOYSA-N 391.290 4.971 30 40 GJEB CCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 17337295 NRQDIJMGRGMJSE-MIZPHKNDSA-N 382.609 4.808 30 40 GJEB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)C(=O)/C(=C/c3cn(C)nc3C)C[C@H]12 36005107 GMZISXRHSBJUQJ-QIQYBHCCSA-N 390.527 4.856 30 40 GJEB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C=N/CCc1ccccc1 102929233 NLUVJHOOBIPMQF-HZHRSRAPSA-N 390.512 4.802 30 40 GJEB O=[N+]([O-])c1ccccc1/C=N\CCCCCC/N=C\c1ccccc1[N+](=O)[O-] 104063706 NTVOERCQNQYSIK-BMJUYKDLSA-N 382.420 4.601 30 40 GJEB C/N=C1/S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)N1C 408930095 RZLYAPUVCBMDDY-SAPPFYIZSA-N 375.497 4.530 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(C)cc1 2443233 HLEKFFQHWSBSJW-UHFFFAOYSA-N 392.528 4.733 30 40 GJEB Oc1c(Br)cc2oc3c(c2c1/C=N/Cc1ccncc1)CCCC3 3212429 BUOZXYOCUVMWBK-SSDVNMTOSA-N 385.261 4.794 30 40 GJEB CCCCCCCCCCCCNC(=S)Nc1nc(OC)cc(OC)n1 59662613 LKONKJNCPPXFDL-UHFFFAOYSA-N 382.574 4.701 30 40 GJEB O[C@@H](CON=C1c2ccccc2-c2ccccc21)COc1ccc(Cl)cc1 95117242 QSCMVIPHHZNIJA-MRXNPFEDSA-N 379.843 4.529 30 40 GJEB Cc1cc(C)c(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C)c1 95215267 UPDSLFVBZXWSED-WNAAXNPUSA-N 382.467 4.831 30 40 GJEB FC(F)[C@H](O[C@H](C(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 100503208 WFQCEBZFZTUXHG-XIXRPRMCSA-N 382.091 4.666 30 40 GJEB CCN(CC)c1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(OC)c1 408721488 RNHNJJGIADNJIA-MOSHPQCFSA-N 395.528 4.741 30 40 GJEB Cc1cc(C)c(/N=C2\S[C@H](CC(=O)Nc3ccccc3C)C(=O)N2C)c(C)c1 1411588 MHXNTXDZCFLSEX-FNWSHLARSA-N 395.528 4.510 30 40 GJEB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc2c(C#N)cnn12 3105332 ONVKCTCBRHFRAU-MRVPVSSYSA-N 383.786 4.521 30 40 GJEB FC(F)Oc1ccc(/C=N/Nc2nc3ccccc3s2)c(OC(F)F)c1 4925954 LDCRJSVCSYQKEG-ODCIPOBUSA-N 385.342 4.945 30 40 GJEB C[C@H](Sc1ccc(C#N)cn1)C(=O)Nc1ccc(OCc2ccccc2)cc1 24774050 WMDLCSSKPLTKCP-INIZCTEOSA-N 389.480 4.652 30 40 GJEB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccccc1[N+](=O)[O-] 59566631 ZSZGUIZXOVBEQP-JYRVWZFOSA-N 394.239 4.793 30 40 GJEB CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(C(=O)O)cc1 100939851 CNPPUOICQVEYAQ-DDRRTAJHSA-N 386.860 4.662 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1c(C)cccc1C 408915382 ZYIOFOWWYIGLMS-OUYOUGTCSA-N 397.456 4.541 30 40 GJEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2ccc(N3CCOCC3)cc2)o1 408932228 UZIMYAXAUGKJHZ-HAHDFKILSA-N 391.427 4.750 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\C=C\c3ccc(OC)cc3)S2)cc1 408952230 LNXKXUVZZTXPQD-QZRSKMOPSA-N 380.469 4.542 30 40 GJEB CCOc1cc(/C=N\Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1 409212810 RIZIDIKGSCYUFV-XKZIYDEJSA-N 378.388 4.627 30 40 GJEB CCOc1cc(Br)cc(/C=N/c2ccc(N3CCCC3)cc2)c1O 3213522 GLRHKVLQOCYXSC-FYJGNVAPSA-N 389.293 4.904 30 40 GJEB CC(=O)[C@@]12CCCC[C@H]1C[C@@H]1[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 4027542 ZNSPUNVBZGKQFL-QRIDMWEZSA-N 386.576 4.897 30 40 GJEB biogenic Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1 5884068 JHKWJMLYFMCMKL-NRFANRHFSA-N 387.410 4.917 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccccc1 6997764 PITHDJPVZFVMPU-UHFFFAOYSA-N 388.448 4.505 30 40 GJEB CC(C)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 7141102 NGNAIFCFVQTKPZ-AWEZNQCLSA-N 396.512 4.663 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)NC2=O)cc(OCC)c1OCc1ccccc1 13114322 IPOFSGPOMAOLOJ-UYRXBGFRSA-N 395.480 4.717 30 40 GJEB C=C1CC2(C[C@@H](c3ccccc3OC)O[C@@H](c3ccccc3OC)C2)OC1=O 16952724 ONBOURZBYMXYJY-TYABSZSSSA-N 380.440 4.539 30 40 GJEB CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1Br 36245272 AKYHEWZPNNVQDT-UHFFFAOYSA-N 379.279 4.650 30 40 GJEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)n1 253508382 FIYXFGTYJVDMTO-DHMMNPFQSA-N 394.559 4.789 30 40 GJEB C=CCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033375 ZBSIXROJPZDMRO-CQSZACIVSA-N 396.288 4.505 30 40 GJEB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 5406316 XGBXKYCDQUQDTM-QGZVFWFLSA-N 384.435 4.834 30 40 GJEB COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1OC(C)C 7744279 QZHCJQAVABIQET-CMDGGOBGSA-N 387.863 4.990 30 40 GJEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811467 FSANPKNGISLLHG-WSDLNYQXSA-N 385.807 4.641 30 40 GJEB O=C1CS/C(=N\C(=S)Nc2ccccc2)N1c1cccc(C(F)(F)F)c1 28629578 JUZZZPDSIPPYCP-JWGURIENSA-N 395.431 4.538 30 40 GJEB CCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC 34868387 JNVODKNFRLKMEL-UHFFFAOYSA-N 395.499 4.575 30 40 GJEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1C#N 408905294 WSCKVXMWVSULPR-HZHRSRAPSA-N 393.446 4.943 30 40 GJEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408937122 ICYILWMRIXFXFP-CAOOACKPSA-N 385.847 4.861 30 40 GJEB N#C/C(=N/Nc1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 5023174 DGCGGKAUXJQAMT-UCQKPKSFSA-N 382.832 4.532 30 40 GJEB CN(C)CCCN(Cc1ccccc1)/C(S)=N/c1ccc(OC(F)F)cc1 8801738 OTMOZLMINMVTOA-UHFFFAOYSA-N 393.503 4.659 30 40 GJEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O 13627238 BYQJSKRACIAWAN-NDENLUEZSA-N 376.364 4.514 30 40 GJEB Cc1cccc(N/N=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 33745883 LLNNFERDKRZJGJ-KOEQRZSOSA-N 386.436 4.565 30 40 GJEB CCCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O 51367001 GICNSIHFHINLAU-UHNOWLQGSA-N 383.492 4.850 30 40 GJEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2cccc(F)c2)c1 102800965 MIRYHCSYBZJOSJ-MRJHHRETSA-N 387.410 4.760 30 40 GJEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 226335511 SDZOXKRLCIRVKB-CMDGGOBGSA-N 376.811 4.809 30 40 GJEB O=C1CSC(=S)N1/N=C\c1c(OCc2ccccc2)ccc2ccccc12 409339137 FEPFKWMXGJRGRN-UUYOSTAYSA-N 392.505 4.613 30 40 GJEB C=C(C)[C@@H]1CC=C[C@H](COc2ccc3ccc(=O)oc3c2)[C@]1(C)CCC(=O)O 504427336 UKEZTZMPUHUTIW-FHJLPGHOSA-N 382.456 4.811 30 40 GJEB biogenic Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(C#N)c3)c3c(C)noc3n2)cc1 610363897 OPJNFFAIMYZKMZ-OAHLLOKOSA-N 396.450 4.869 30 40 GJEB C=CCn1c(=S)[nH]c2scc(-c3ccc(Br)cc3)c2c1=O 3245980 STBFXLQMWAOKPB-UHFFFAOYSA-N 379.304 4.736 30 40 GJEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2scc(C3CC3)c2c1=O 3447244 YXENNOXKZSHJHK-UHFFFAOYSA-N 399.497 4.722 30 40 GJEB CCC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O 4953688 RLTKXTNDESFAPX-UJCFSEKXSA-N 375.494 4.521 30 40 GJEB CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc(C)sc1C 7783949 BAFSFTSUTVRNJX-UHFFFAOYSA-N 380.263 4.617 30 40 GJEB C=CCOc1ccc(CN(C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 25452370 NAMMXUWGRMMIPR-UHFFFAOYSA-N 378.472 4.583 30 40 GJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(OC)c(OC)c3)sc1CC2 408722255 FWFAZSFSWWDNMQ-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 408785392 YSVORRYOQYPLKK-YDZHTSKRSA-N 391.427 4.848 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc(OCC(=O)O)c3)c2C#N)C1 409081043 JIZGDNUVLWIHNM-ZWGXDWAISA-N 396.512 4.985 30 40 GJEB N#Cc1c(-c2cccs2)cc(-c2ccccc2)nc1SCC(=O)NC1CC1 4075073 ZBRNVPUPZQOJDR-UHFFFAOYSA-N 391.521 4.719 30 40 GJEB COc1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1OC 12032534 SEEYSZNIEXZLOH-MOSHPQCFSA-N 390.464 4.749 30 40 GJEB C=CCNc1nc(Nc2ccc(OCC)cc2)c2cnn(-c3ccccc3)c2n1 17308026 PQUMCDOBKUQCEG-UHFFFAOYSA-N 386.459 4.556 30 40 GJEB N#Cc1ccc(-c2cccc(CNC(=O)C[C@H]3OCCc4ccsc43)c2)s1 95399662 YYCPXDUUGXYNCN-GOSISDBHSA-N 394.521 4.669 30 40 GJEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 96316579 TWCNNKMVJGPHSN-OAQYLSRUSA-N 397.515 4.730 30 40 GJEB C=CCc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1OC 225657411 VMCQAVUGVRMASX-UHFFFAOYSA-N 385.876 4.848 30 40 GJEB Fc1ccc(COc2cccc(/C=N/c3ccc(N4CCOCC4)cc3)c2)cc1 408932614 YFGIMUWWUTUPTC-YZSQISJMSA-N 390.458 4.992 30 40 GJEB CC(C)(C)[C@H]1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)cc2C1 689540 YIYRQLDTVZDTAA-KRWDZBQOSA-N 379.529 4.835 30 40 GJEB Cc1c(Cl)c(C)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(O)c1Br 4754273 ABJWXRKQLZSQSG-CNHKJKLMSA-N 398.644 4.779 30 40 GJEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc(C#N)cc2)cc1OC 13141576 KBHAMBAJIYBEFB-RMKNXTFCSA-N 386.245 4.624 30 40 GJEB CC(C)c1ccc(-c2c(C#N)c(N)nc(S[C@H]3CCCCC3=O)c2C#N)cc1 20507081 GBHRGASLVFVWCF-IBGZPJMESA-N 390.512 4.801 30 40 GJEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3cccs3)N3CCCC3)o2)cc1 27992895 CWZNMHBFTUAXAB-GOSISDBHSA-N 394.500 4.532 30 40 GJEB Cc1c(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cnn1C 245240056 NZSLOBGOEKKDIY-YNJDJOGQSA-N 376.500 4.553 30 40 GJEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)n1 253508383 FIYXFGTYJVDMTO-GRFBKMLYSA-N 394.559 4.789 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)cc1 408740692 DIHAXKNIAUKTMN-YDZHTSKRSA-N 391.427 4.848 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1C#N 408815004 STBOQBNBISBIQN-NDENLUEZSA-N 390.464 4.532 30 40 GJEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 408960608 HEWQDJURUKEWQM-HJPCULJESA-N 383.425 4.564 30 40 GJEB COc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc12 408965926 XPWHADINJKSNPC-XDHOZWIPSA-N 378.428 4.879 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 409241019 WHFMKRMFQBHGDI-WZOFUNJYSA-N 385.420 4.666 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)CC(=O)N2c1cccc(C(=O)O)c1 2257498 DXYABYVYJGLWDU-KRWDZBQOSA-N 395.842 4.566 30 40 GJEB CCCCCCCNC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2409120 XHEQKZXDLZKVLK-UHFFFAOYSA-N 395.551 4.913 30 40 GJEB N#Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 3355837 USIHQWDBBIRGLD-UHFFFAOYSA-N 385.448 4.852 30 40 GJEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 4596641 QMIVONJZGMYDTK-RIYZIHGNSA-N 394.239 4.793 30 40 GJEB C/C(=N\NC(=S)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 4985679 RMLNYENMSCRYFL-VXLYETTFSA-N 382.714 4.813 30 40 GJEB O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccco1 5156722 NITURFUHXLJPLU-ZDLGFXPLSA-N 384.746 4.908 30 40 GJEB CCCSc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3 5270859 QCMNDTUXCVUZKM-UHFFFAOYSA-N 393.516 4.698 30 40 GJEB Cc1cc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)c(C)n1Cc1ccco1 5825263 HJHJXIYTJTUCSY-FCQUAONHSA-N 392.528 4.685 30 40 GJEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2CCc2ccccc2)c1 11143342 WXKQIMPRAWOZLX-UHFFFAOYSA-N 397.503 4.803 30 40 GJEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2cccc([N+](=O)[O-])c2)cc1 12467117 NLRQUOZYFXVGBH-NDENLUEZSA-N 381.461 4.696 30 40 GJEB CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(OC)c2O)cc1OC 32115035 JIMAPJGBMYBRGM-WSDLNYQXSA-N 390.867 4.942 30 40 GJEB O=C1N=C(N/N=C/c2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)cc1 211197469 QHEACMAFDHXZLA-SABIUBGXSA-N 376.268 4.587 30 40 GJEB Cc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)o1 408765052 WCNWBCCIQSOZIM-ZSOIEALJSA-N 391.290 4.859 30 40 GJEB N#C[C@@H](C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 1616849 GCUUDVYSFPQBBE-MRXNPFEDSA-N 394.780 4.954 30 40 GJEB OC1(C#CCN(CC#CC2(O)CCCCC2)c2ccc(Cl)cc2)CCCCC1 2267531 RMVZIUNXJFIDKF-UHFFFAOYSA-N 399.962 4.544 30 40 GJEB N#Cc1ccc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 5507009 GAHMVCGQRZVHFE-UHFFFAOYSA-N 380.403 4.746 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)c1C 7781238 IPGXRMBCCLHZPM-UHFFFAOYSA-N 393.434 4.860 30 40 GJEB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccco2)ccc1C#N 12250996 MDIWGESFAHIXQE-UHFFFAOYSA-N 399.859 4.606 30 40 GJEB O=C(OCCCC(F)(F)C(F)(F)F)OCC(F)(F)[C@H](F)C(F)(F)F 169795687 VAAFTLUONHBDIT-YFKPBYRVSA-N 386.157 4.653 30 40 GJEB N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 409167282 IBBOKIRNFGLJTJ-KHYOSLBOSA-N 381.819 4.977 30 40 GJEB CCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 2272912 OYEFPWLLQYSPRV-XRDZRPQXSA-N 385.920 4.974 30 40 GJEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 5021279 DUKRKAPIUIQVCN-VBKFSLOCSA-N 398.418 4.521 30 40 GJEB COc1ccc(N2C(=O)C[C@@H](c3ccccc3OCc3ccccc3)[C@@H]2C#N)cc1 26896079 WTUUSLZLVMUXCU-GOTSBHOMSA-N 398.462 4.687 30 40 GJEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224934420 JHCMNRARBRXYQW-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB CC1(C)CC(=O)C(=CNc2cc(-c3ccccc3)nn2-c2ccccc2)C(=O)C1 408927380 WHOMXNVJRVBYPH-UHFFFAOYSA-N 385.467 4.793 30 40 GJEB N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)cc1 4273185 NPYDMGQBPHNMOC-UHFFFAOYSA-N 388.427 4.549 30 40 GJEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cc2ccccc2)cc1 4802325 OQCSOPGAGIORPF-PXLXIMEGSA-N 390.399 4.930 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1F 4869771 RXTOYZWXQSFLSG-VXNXHJTFSA-N 395.474 4.533 30 40 GJEB CCCCOc1ccc(/C=C2\Oc3ccc(C(=O)OC)cc3C2=O)cc1OCC 5047916 SUWASMQOYUCUJT-BKUYFWCQSA-N 396.439 4.667 30 40 GJEB biogenic,in-vitro Cc1c(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cnn1C 6527498 NZSLOBGOEKKDIY-CKKCWELKSA-N 376.500 4.553 30 40 GJEB CCCOc1c(Br)cc(/C=C/C(=O)c2cccnc2)cc1OC 7739553 DGNWZNGRXFNNAZ-VOTSOKGWSA-N 376.250 4.538 30 40 GJEB C[C@H](SCCOc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 15498462 CLMJWVVIZMMWCG-ZDUSSCGKSA-N 394.418 4.716 30 40 GJEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1Cl 16995942 YSMYZLOGZSIYAB-LHSJRXKWSA-N 390.874 4.656 30 40 GJEB C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C)s3)nc21 20604936 MDWZLFVOVFUAFP-UHFFFAOYSA-N 383.420 4.696 30 40 GJEB O=c1c2ccccc2ncn1/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 21361765 FNJFJGDHZSPNMX-AUEPDCJTSA-N 384.222 4.846 30 40 GJEB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(Cl)ccc3C#N)c12 36617460 MMFMVZHVEIDJOW-UHFFFAOYSA-N 378.775 4.569 30 40 GJEB COC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccc(OC)cc2)c1C 408667368 VJXWXCDDWTUTHL-SDNWHVSQSA-N 389.451 4.785 30 40 GJEB COc1cccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1 408748379 CULOEBCVRSNJOR-OVCLIPMQSA-N 379.268 4.894 30 40 GJEB O=C1CCCC2=C1[C@@H](c1cccnc1)CC(=O)N2c1ccccc1C(F)(F)F 1440859 FFFKHITVDDEEDY-CQSZACIVSA-N 386.373 4.628 30 40 GJEB N#Cc1c(-c2ccc(Cl)cc2)cn2c1[nH]c(=O)c1cc(Br)ccc12 1609251 LBZMSFVSBQEHDT-UHFFFAOYSA-N 398.647 4.735 30 40 GJEB C=CCn1c(SCc2c(F)cccc2F)nc2sc(C)c(C)c2c1=O 2220634 WMRAJHMRWHYKQX-UHFFFAOYSA-N 378.469 4.831 30 40 GJEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1C1CCCCC1 3346575 MKQMDNVKHIPXQG-SOLBZPMBSA-N 390.597 4.545 30 40 GJEB CCCCOc1ccc(C(=O)O/N=C2/C[C@H](C)Oc3cc(OC)ccc32)cc1 6651422 JCFUYCVSEXAMMU-DCBSDEPNSA-N 383.444 4.606 30 40 GJEB C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1C1CCCCC1 8753523 SXNFZYCFQBASKP-LJQANCHMSA-N 396.560 4.624 30 40 GJEB COc1ccc(/C=C2/CC/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC 12340170 NADUQCROZYTGPH-WHYMJUELSA-N 380.440 4.551 30 40 GJEB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 12563127 FTMBEXJAWIRRAO-CQSZACIVSA-N 383.517 4.645 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F)c1ccccc1 13161713 WFJZGMDZNBVRMU-HXUWFJFHSA-N 391.373 4.748 30 40 GJEB C=CCN(C(=O)CSc1nnc(-c2cccs2)n1C(C)C)c1ccccc1 32604301 SOKOGMPZFXSDRY-UHFFFAOYSA-N 398.557 4.899 30 40 GJEB C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S 59418076 YFRQYCBOFWMPMW-LDADJPATSA-N 385.485 4.792 30 40 GJEB C=CCN(CC=C)CN1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21 106636427 NHVYPTJFEKBQHR-QOMWVZHYSA-N 399.416 4.804 30 40 GJEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916078 LNURYWGKYJSNOL-NIDHZYOMSA-N 396.575 4.869 30 40 GJEB C=CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(SC)cc1 224975573 HPNLNWXXXWWJPW-UHFFFAOYSA-N 398.347 4.552 30 40 GJEB Cn1c(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21 408652914 IOGLEORFZVIMDC-OEAKJJBVSA-N 398.495 4.934 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)cc1 408959583 BJJYWHVKSOXYIX-HKWRFOASSA-N 377.513 4.877 30 40 GJEB O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)c2ccccc21 1435146 AQTFWZGPOOCUAA-UHFFFAOYSA-N 379.755 4.971 30 40 GJEB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)C1 2745302 JFQWTMQSIHKKGC-SECBINFHSA-N 379.279 4.742 30 40 GJEB COc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2cccc(C)c2)n1 8719147 MEBIHYKMPHZOBM-UHFFFAOYSA-N 393.468 4.595 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC[C@@H]4c4cccnc4)[C@H]3C[C@@H]12 12656045 BQQBCCCZBJNJIU-QKFZZVSKSA-N 394.559 4.923 30 40 GJEB biogenic N#Cc1nc(-c2cccs2)oc1NC[C@H](c1cccs1)N1CCCCC1 27792979 PVCRVMBUMQGTNI-OAHLLOKOSA-N 384.530 4.975 30 40 GJEB COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N 33011098 XISQGXQRRIZGBD-UHFFFAOYSA-N 389.480 4.668 30 40 GJEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N(CCCOC)Cc1ccc3c(c1)C[C@H](C)O3)C2 100731354 YWYZTVBRBHXUQV-SBJAYZTMSA-N 397.559 4.758 30 40 GJEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 224724998 AOYMEHHRSHIROP-UHFFFAOYSA-N 394.334 4.954 30 40 GJEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc(Br)c1 408750136 XQGPFJDPQVYSSG-RIYZIHGNSA-N 393.693 4.994 30 40 GJEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc2ncccc2c1 408968455 YYTZYUPUGXMVAH-ZVHZXABRSA-N 385.427 4.997 30 40 GJEB O=C1CCCC2=C1C(c1cc(Cl)cc(Cl)c1O)C1=C(CCCC1=O)O2 409036164 ABOWDSFUQCLCIP-UHFFFAOYSA-N 379.239 4.827 30 40 GJEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(F)cc1 409296991 JRZCPMMQMHCJHE-UHFFFAOYSA-N 383.382 4.831 30 40 GJEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)c1C 5551186 NOANUBJMKTXYQA-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB CO[C@H]1CCC[C@@H](C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)C1 12133255 GVZBZKYCQWIPIE-YADHBBJMSA-N 390.527 4.611 30 40 GJEB C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 40066925 GZHYWZOJUZVKDF-GFCCVEGCSA-N 394.254 4.742 30 40 GJEB CCCCCCCOc1ccc(C(c2c(C)n[nH]c2O)c2c(C)n[nH]c2O)cc1 98043222 PAUZTUZOZXRXOQ-UHFFFAOYSA-N 398.507 4.690 30 40 GJEB Cc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)[nH]1 409290084 JYYINPKENXOCIN-UHFFFAOYSA-N 382.423 4.637 30 40 GJEB CC(C)(C)OC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCCC2 756936 TUZFOZXNYNZNKE-UHFFFAOYSA-N 386.542 4.994 30 40 GJEB CCOC(=O)[C@H](C)Sc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCC2 2269479 DFRLTIHWBWIAGD-LBPRGKRZSA-N 386.904 4.806 30 40 GJEB CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCC#N 3766562 OPNILPCXBWQVLR-LFIBNONCSA-N 381.815 4.622 30 40 GJEB COc1cccc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c1 6847909 KQSBDFQGGIYFCP-NTEUORMPSA-N 379.268 4.894 30 40 GJEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1cccc(C)c1 8829665 WJIANKIZOSLBMK-CLCOLTQESA-N 389.484 4.618 30 40 GJEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1C#N 59640792 NEBMKBABUPSGTR-DHRITJCHSA-N 387.487 4.570 30 40 GJEB N#Cc1ccc(Oc2ccc(NC(=O)NCc3cc(Cl)ccn3)cc2)cc1 92734592 MOAUMLSYAFCYJI-UHFFFAOYSA-N 378.819 4.721 30 40 GJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)s1 137597595 QNWICWYKFJSWOY-USPXZXIHSA-N 387.530 4.553 30 40 GJEB CCOc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)cc1OC 4598248 XKYCXUGCNJSRFS-QPJJXVBHSA-N 384.815 4.750 30 40 GJEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)c1c(O)n[nH]c1N2 18196230 GHPZIYXDCDAPGM-ZBEGNZNMSA-N 397.887 4.788 30 40 GJEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 20762995 KJLXFRCPLMEZOQ-MFKUBSTISA-N 390.483 4.715 30 40 GJEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N3CCCCC3)o2)cc1 27992025 FQARIYUJKAVUDU-IBGZPJMESA-N 376.460 4.754 30 40 GJEB C=CCN(Cc1ccc(Cl)s1)Cn1c(=S)nc2nc(C)c(C)c(C)n21 54429533 FHZAYLLDKYJALO-UHFFFAOYSA-N 393.969 4.546 30 40 GJEB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 95349386 LOPVMVJXLIKSKL-UHFFFAOYSA-N 379.407 4.863 30 40 GJEB CCCCSC1(SCCCC)N=C(N)[C@]2(C#N)[C@H]3C=C[C@@H](CC3)[C@@]12C#N 102708481 IKXHYTTVFRPNQZ-PBWTXFEYSA-N 388.606 4.694 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 408741850 LLWNDWBDJNSTKG-YDZHTSKRSA-N 391.427 4.848 30 40 GJEB C=CCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OCC 2092343 GDWCIBDDWAABGM-BOPFTXTBSA-N 383.831 4.648 30 40 GJEB COC(=O)c1ccc(N2[C@]3(C#N)CCCC[C@H]3C[C@H]3CCCC[C@]32C#N)cc1 2227659 QFDDWPDUHMHVIP-YDLSIGKMSA-N 377.488 4.588 30 40 GJEB N#Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)n2)cc1 3298458 DYDXZWGFJHYETD-BJMVGYQFSA-N 397.406 4.935 30 40 GJEB CCOc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2cc(C)cc(C)c2)cc1 5796652 ICRKECPHGSPXBW-KGENOOAVSA-N 391.467 4.579 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)c(C)c1 6255737 KEXZIVNAXUMKAD-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB CCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1OC(F)F 7744263 SVKGTWOGXAANRI-VQHVLOKHSA-N 375.371 4.541 30 40 GJEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(C(=O)c1ccccc1)=C1SCCS1 68590793 LCTMSTMZTMZFKY-MDZDMXLPSA-N 397.477 4.752 30 40 GJEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OC)c1O 408764925 NVQIHALBQCQXIY-UYRXBGFRSA-N 394.496 4.583 30 40 GJEB COc1cc(F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1F 575242973 FGDSLJUHFMLHQT-UHFFFAOYSA-N 390.148 4.624 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/CCc1ccccc1 4108935 SGEDEXQUNKAFTA-YALZWYRPSA-N 395.553 4.592 30 40 GJEB Fc1cccc(Cl)c1/C=N/n1cnnc1SCc1ccccc1Cl 5236497 WCVZTHYMALYNAD-ODCIPOBUSA-N 381.263 4.899 30 40 GJEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1)c1ccccc1 6423989 SLNIRJMSLBQVHD-QFIPXVFZSA-N 383.447 4.508 30 40 GJEB COc1cc(Br)c(/C=C/C(=O)c2ccc(F)cc2F)cc1OC 7712602 MJEBYJBVLIDZDN-ZZXKWVIFSA-N 383.188 4.641 30 40 GJEB CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)S2)cc1 18255046 YDCSKGWSPPGTQN-HMMYKYKNSA-N 379.529 4.987 30 40 GJEB Cc1nc2ccccc2c(C)c1CC(=O)Nc1sc2c(c1C#N)CCCC2 95348883 GRFMAALYYYJHCS-UHFFFAOYSA-N 375.497 4.845 30 40 GJEB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)/C(O)=N/c1nc(C2CC2)n[nH]1 95473455 KQDXAWLZSGSEKH-ZDUSSCGKSA-N 395.290 4.789 30 40 GJEB COc1ccc(N2CCN([C@@H]3CCCCCCCCCC/C3=N/O)CC2)cc1 100964973 CJUWENNSCVVIAQ-UGUGFTGJSA-N 387.568 4.931 30 40 GJEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1cccc(C)c1 102800853 PTAFJOQBGWNJLP-HOGKFDNTSA-N 399.446 4.630 30 40 GJEB Cc1cc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc([N+](=O)[O-])c1C 408853549 PFXZWOYVZPTXDN-GRSHGNNSSA-N 392.253 4.918 30 40 GJEB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1OCC#N 408993210 VTFQFCHMIMLIMN-UHFFFAOYSA-N 395.484 4.634 30 40 GJEB COc1cccc(/C=N\c2ccccc2I)c1OC(C)C 409014304 XAMGAIBYNFHXEX-ODLFYWEKSA-N 395.240 4.838 30 40 GJEB COc1ccc(C(=O)CSc2nc(-c3cccs3)ccc2C#N)cc1OC 989236 GMEIJWSKBFAFJK-UHFFFAOYSA-N 396.493 4.674 30 40 GJEB COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(Cl)c1O 4696372 UMKIEDSVCBEMKO-SXGWCWSVSA-N 388.876 4.563 30 40 GJEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 5691032 QQLGWUKQPDGPCP-NRFANRHFSA-N 387.410 4.917 30 40 GJEB N#Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 6220732 SQFOKRCELGOREJ-OVCLIPMQSA-N 390.411 4.983 30 40 GJEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1[N+](=O)[O-] 101490689 ZPEWVCLBLXZORI-KDWIEBRMSA-N 397.456 4.616 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 408562180 NWVDXQMFEHWXPH-UHFFFAOYSA-N 380.945 4.712 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21 408691962 AAGRVJNWRMGDRE-FYJGNVAPSA-N 375.388 4.670 30 40 GJEB CC(=O)OC[C@H]1CC(=O)C=C2CC[C@H]3[C@@H](CC[C@]4(C)[C@H](C(C)=O)CC[C@H]34)[C@]21C 521205755 DHLPPJXZMGAVDG-OVJHBAKTSA-N 386.532 4.513 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1ccc(C)cc1 1008071 YIMBNFDAYYXSBA-XGHAMVSDSA-N 394.496 4.796 30 40 GJEB COc1cc2c(cc1OCc1ccccc1)[C@@H](C#N)N(C(=O)c1ccccc1)C=C2 1757727 AGRKTDHVKYYTNC-JOCHJYFZSA-N 396.446 4.966 30 40 GJEB C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O 4386002 DIDYVJAIFFZGRT-OAQYLSRUSA-N 381.479 4.740 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C#N)C1 5919989 NDTCKGIEHFVGIN-SNVBAGLBSA-N 389.933 4.525 30 40 GJEB CCOc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccccc1 6961671 YIURHQOEBGHIAR-XQNSMLJCSA-N 395.480 4.912 30 40 GJEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 33652965 UIFQHKODAOSFHE-KRWDZBQOSA-N 392.528 4.556 30 40 GJEB Cc1nc(SCC(=O)N2CCCCC[C@@H]2c2ccncc2)c(C#N)c(C)c1C 71798114 IEAWDOSPNHEBTH-HXUWFJFHSA-N 394.544 4.510 30 40 GJEB C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224610509 SOMJJICZNITLHP-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cc2ccccc2o1 1014140 YUDRBHRRECFBOH-DAFNUICNSA-N 387.826 4.884 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N1CC 5552130 LZNZKTPZFLSWGG-DJOYVXLESA-N 380.513 4.886 30 40 GJEB Cc1ccc(N2C(=S)N/C(=N\c3ccccc3)[C@]23CCOC(C)(C)C3)cc1 6275956 PCWPOZZSKHAUBN-JOCHJYFZSA-N 379.529 4.748 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 6552624 DNRRVHMXSPQVJG-ZDUSSCGKSA-N 384.888 4.599 30 40 GJEB COc1cccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c1OC 13896495 NUWBPGZGELCIHP-QLHXNQQISA-N 382.485 4.554 30 40 GJEB COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(C(F)(F)F)cc3)S2)cc1 15012535 BTQZLHDQRZDWQK-XNTDXEJSSA-N 378.375 4.606 30 40 GJEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccccc2Cl)C1=O 59461618 PWQQTJGTZLSVPT-XDHOZWIPSA-N 381.859 4.834 30 40 GJEB COc1ccc(C2=C(Nc3ccc(OC)c(OC)c3)c3ccccc3C2=O)cc1 101093140 YFAMJZRGAFJNJH-UHFFFAOYSA-N 387.435 4.889 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 1829231 LWEBOOIXBFZBLE-AQTBWJFISA-N 383.494 4.666 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C)CC3 2230353 XGAMRENCXMOEDW-CQSZACIVSA-N 382.554 4.909 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(/C)c2cccc(C(F)(F)F)c2)cc1 6710708 ZCZDGGHODGYZKO-FMCGGJTJSA-N 381.423 4.815 30 40 GJEB C#CCOc1c(Cl)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC 10118778 PGFKMGBKQQIXKG-YDZHTSKRSA-N 377.271 4.528 30 40 GJEB Cc1ccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3O)nc2c1 13476654 OHGNYEIAULVSHW-SSDVNMTOSA-N 389.367 4.873 30 40 GJEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C#N)C1 14194715 ORZOIMQPXDRABH-INIZCTEOSA-N 387.593 4.975 30 40 GJEB C=CCSC1=N/C(=C\c2cc(Cl)c(OC(C)=O)c(OCC)c2)C(=O)S1 15016586 IQYVFJNPBWLBBB-JYRVWZFOSA-N 397.905 4.554 30 40 GJEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)cc1 59138050 KUJOEDLUWCTPGG-JXAWBTAJSA-N 381.501 4.724 30 40 GJEB N#Cc1ccc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)c(F)c1 71889681 YSTKRPPPNNKZSY-IBGZPJMESA-N 388.446 4.517 30 40 GJEB C=CCOc1cccc(-c2nn3c(CSCc4ccccc4)nnc3s2)c1 1501039924 NCODUTWVOLPUBN-UHFFFAOYSA-N 394.525 4.851 30 40 GJEB O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1ccc(Cl)cc1Cl 3077650 VQHNQHRRZAHHED-SSDVNMTOSA-N 384.222 4.846 30 40 GJEB N#Cc1ccccc1Cn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21 4092165 AIQURJXZSAYBHI-VULFUBBASA-N 390.450 4.884 30 40 GJEB O=C(/C=C/c1ccc(OC2CSC2)cc1)c1cccc(Br)c1 4851637 LGOOIKFUNRCIKI-RMKNXTFCSA-N 375.287 4.839 30 40 GJEB C=CCNc1nc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cs1 5040230 ZJZKZSYYWUQIBL-UHFFFAOYSA-N 384.501 4.828 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1C 5551144 ZKNJWXYIOADJLL-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB Cc1sc2nc(CN3CCCCC3)nc(Oc3ccccc3C#N)c2c1C 12873647 RCOGGRIFGVMOSX-UHFFFAOYSA-N 378.501 4.958 30 40 GJEB CN(C)[C@H](CNc1oc(-c2cccnc2)nc1C#N)c1ccc(C(C)(C)C)cc1 35672475 NFMZGXURXRYRMV-HXUWFJFHSA-N 389.503 4.621 30 40 GJEB C[C@H](/C(O)=N/C1CCCCC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 40004998 RDYNXGJUFJHHSW-MRXNPFEDSA-N 397.485 4.501 30 40 GJEB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71782846 FVOFOTKYRCADHJ-WBHYLMNTSA-N 390.527 4.938 30 40 GJEB O=C(OCCCC(F)(F)C(F)(F)F)OCC(F)(F)[C@@H](F)C(F)(F)F 169795686 VAAFTLUONHBDIT-RXMQYKEDSA-N 386.157 4.653 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C=O)cc3)c2C#N)C1 408599214 GADXOOUWJQTBCQ-OAHLLOKOSA-N 396.512 4.601 30 40 GJEB COc1ccc(OC)c(COc2ccc(C=C3C(=O)CC(C)(C)CC3=O)cc2)c1 408991973 RVMYFLFTYGPTLD-UHFFFAOYSA-N 394.467 4.624 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 4189152 SFSJUPHOHNFSES-GCKAQTDUSA-N 396.874 4.571 30 40 GJEB CN(C)c1ccc(/N=C2/N=C(Nc3ccc(N(C)C)cc3)c3ccccc32)cc1 12524761 MOEXQTNGVRNVRD-UHFFFAOYSA-N 383.499 4.769 30 40 GJEB COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1cccs1 100852761 XPOKAXVXJSJLHL-LPYMAVHISA-N 394.452 4.685 30 40 GJEB C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224941126 YEFVUJXKFBTFRY-UHFFFAOYSA-N 378.227 4.653 30 40 GJEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O 409048659 UDZKWCOMKXLOFR-KGENOOAVSA-N 386.476 4.917 30 40 GJEB Cc1ccc(C)c(OCC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)c1 1522185 ALDZOAWIFSEDKC-UHFFFAOYSA-N 384.526 4.862 30 40 GJEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1COc1ccc(F)cc1 4785561 NJWGRIJFRGKORC-YDZHTSKRSA-N 395.390 4.768 30 40 GJEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 5594044 ZTGCXJWWCMAREW-VGOFMYFVSA-N 398.422 4.979 30 40 GJEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 7055944 BKZRGVRVFIYCPX-PXNMLYILSA-N 378.211 4.670 30 40 GJEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccco4)o3)o2)cc1 8844531 WFOUYXBLWMRTNU-UHFFFAOYSA-N 391.383 4.599 30 40 GJEB C=CCn1c(Sc2nc(C)nc3sc4c(c23)CCC4)nnc1-c1ccco1 32855727 GAWGDWFFCQFPOG-UHFFFAOYSA-N 395.513 4.677 30 40 GJEB CCc1ccccc1-n1c(C)cc(/C=N\NC(=S)Nc2ccccc2)c1C 33920494 IHSMPLWIQKSQAJ-HAHDFKILSA-N 376.529 4.977 30 40 GJEB CCSc1nncn1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 36611459 ISEFMTISCFYQOJ-DNTJNYDQSA-N 397.287 4.751 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102604092 HIRCYUDYNXKCEM-NHFXJNLRSA-N 389.838 4.966 30 40 GJEB C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224624629 RIGHYNLTYBEZLE-UHFFFAOYSA-N 390.263 4.522 30 40 GJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 299888595 PPELYUTTZHLIAZ-CSPZMSETSA-N 387.520 4.612 30 40 GJEB COC(=O)COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1 408809300 GVAAFGDWXRTFDQ-IWIPYMOSSA-N 375.424 4.568 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3cccc(Br)c3)C(=O)N2C)cc1 408906066 HAHOGYIOTYZCAF-PDFVYNHPSA-N 387.302 4.991 30 40 GJEB Cc1ccc(CN(CC2CC2)C(=O)c2cn(CCCC#N)c3ccccc23)cn1 592831564 NQLFTKCRMRUYHB-UHFFFAOYSA-N 386.499 4.701 30 40 GJEB N#CC[C@H]1CCCN(Cc2cc(C(F)(F)F)c(Br)cc2F)C1 1238511223 MYPCMMAEQYTBDR-SNVBAGLBSA-N 379.195 4.733 30 40 GJEB COc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)ccc1O 1286792 OURCQFIEPNFXHF-ZSOIEALJSA-N 395.267 4.599 30 40 GJEB C=C1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 4081868 XSNMCQGNVPSIQM-ZKMZPGKCSA-N 384.516 4.575 30 40 GJEB biogenic CC(C)Cn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 5066494 LGEVOYZFDRUHTI-UHFFFAOYSA-N 379.529 4.550 30 40 GJEB Cc1nc2cc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)ccc2o1 12553317 WUGLGESOOHIQGQ-GFCCVEGCSA-N 394.500 4.777 30 40 GJEB C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1cccs1 32604110 RZPAQWUGOPKCDW-UHFFFAOYSA-N 398.557 4.726 30 40 GJEB CCCCCCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 100024123 AGHCTAPFSFWYLL-QOCHGBHMSA-N 378.516 4.934 30 40 GJEB CCCCCCCCOC[C@@H](O)COCCOCCOCCCCCCC 100933495 QNFVYIYFHSQSGR-JOCHJYFZSA-N 390.605 4.745 30 40 GJEB C#CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 409045346 GHLRGNKHKXMZBV-GXDHUFHOSA-N 375.858 4.754 30 40 GJEB Cc1cc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)ccc1Cl 2766412 LXLWOHKVNRXRPH-UHFFFAOYSA-N 385.814 4.918 30 40 GJEB Cn1c(-c2ccccc2)c(/C=N/NC(=S)NC2CCCCC2)c2ccccc21 3282112 HVQNIQDKFYDDEL-LFVJCYFKSA-N 390.556 4.976 30 40 GJEB CN(c1ccc([N+](=O)[O-])cc1/C=N/Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 4359490 LYIRXWXQQTUXKV-KGENOOAVSA-N 397.435 4.718 30 40 GJEB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)c1C 6831482 FLTFYJLZVOGQEA-UHFFFAOYSA-N 395.513 4.501 30 40 GJEB CCOc1c(I)cc(/C=N/c2ccc(C)cc2)cc1OC 6958181 AWIADLNNGLLGNF-YBFXNURJSA-N 395.240 4.758 30 40 GJEB C=CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2ccccc21 14678312 ACGHAGJOZULRAI-UHFFFAOYSA-N 394.525 4.871 30 40 GJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(/C(C)=N\N)cc1 15227365 NBJZIYFIRXAZCL-OANIUGDPSA-N 382.920 4.971 30 40 GJEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OCC)cc1 224603311 NIMLKAJSUYOPAL-UHFFFAOYSA-N 386.300 4.773 30 40 GJEB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1OCC 225749947 OUDPQIPEMGAVMU-HNNXBMFYSA-N 383.517 4.598 30 40 GJEB C=CCn1c(SC[C@H]2CCCCO2)nc2sc(-c3ccccc3)cc2c1=O 3312198 ASAMTCJHJAAXEY-MRXNPFEDSA-N 398.553 4.972 30 40 GJEB NC(=O)/C(=N\Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2s1 4292517 HEYBDTQPYFMCFL-LPYMAVHISA-N 399.690 4.558 30 40 GJEB C(=N/N=c1\scc(-c2ccccc2)n1-c1ccccc1)\c1ccc2c(c1)OCO2 4475608 OVXWHHCZPOKJFE-ROBZNLLGSA-N 399.475 4.869 30 40 GJEB CCOC(=O)N1C/C(=C/c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 5510320 ZBPLYSPEMKFAPP-VOKWCDJLSA-N 375.468 4.812 30 40 GJEB COc1cc(/C=C/C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OCC#N 6269532 HFHGILFKARJZSC-RIYZIHGNSA-N 384.435 4.916 30 40 GJEB C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1occc1C 6785062 ONOWHXJDNSHGMW-UHFFFAOYSA-N 378.457 4.980 30 40 GJEB N#CCc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 8313362 IJAPKNACVXCDAY-UHFFFAOYSA-N 384.464 4.919 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(O)c([N+](=O)[O-])c1 21238131 MQNDXWYIGMFIGE-FQEVSTJZSA-N 379.416 4.522 30 40 GJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC[C@H]4CCCO4)o3)o2)cc1C 33027046 NRQXCPIEDJEXIN-QGZVFWFLSA-N 393.443 4.593 30 40 GJEB CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(C#N)cc1 58202571 RDJVHYIBXMAKBF-INIZCTEOSA-N 381.501 4.669 30 40 GJEB CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409842 ACPNRXNRTBVUKP-INIZCTEOSA-N 396.493 4.550 30 40 GJEB C=CCOc1c(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cccc1OC 408533287 QEARQAWNSPZDLJ-UYRXBGFRSA-N 395.480 4.805 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)nc2ccccc21 408692847 WUFOGDUFKKGIBL-WSDLNYQXSA-N 393.378 4.810 30 40 GJEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 2107129 GZTUXFPHBFDJAJ-XKZIYDEJSA-N 386.403 4.839 30 40 GJEB biogenic CCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060498 CAGNQQMTBODURG-NRFANRHFSA-N 397.515 4.641 30 40 GJEB COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc(F)cc1 5102864 DVMRNCHNWCMWFX-KDDHIZETSA-N 378.447 4.651 30 40 GJEB Cc1cc(/C=N/c2cccc(NC(=O)c3ccccc3C)c2)c(O)c([N+](=O)[O-])c1 6525448 JODDWXQHSWQHKH-YDZHTSKRSA-N 389.411 4.920 30 40 GJEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Cl)c1OC(F)F 7745506 CEFGOSICJXMMGV-DUXPYHPUSA-N 396.773 4.617 30 40 GJEB C=CCn1c(C)nnc1S[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 22377746 ZYNUFHZYYPFRAH-JTQLQIEISA-N 395.410 4.695 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(Cl)c1 33730337 XXSKPTLOVGFCKT-PZJWPPBQSA-N 384.859 4.668 30 40 GJEB CC(=O)Oc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1 102114315 KVHPHKDAVOPBHB-SAPPFYIZSA-N 394.496 4.872 30 40 GJEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)n1 253369595 FIYXFGTYJVDMTO-TZGNLQBGSA-N 394.559 4.789 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccccc3F)S2)cc1 408960164 CVPIVDLWMXTWDZ-CPNJWEJPSA-N 377.444 4.816 30 40 GJEB COc1cc2c(cc1OCc1ccccc1)C=CN(C(=O)c1ccccc1)[C@H]2C#N 2033579 CHGSYFDYPZEUAC-QFIPXVFZSA-N 396.446 4.966 30 40 GJEB Cc1cccc(Cn2cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)c1 4048011 ISVYNHMMZNORLU-WYMPLXKRSA-N 385.427 4.747 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1OCC 4918602 VQKRHHLOQQMXAL-UGKGYDQZSA-N 382.431 4.544 30 40 GJEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3ccccc3F)ccc21 9421040 VJVUYQOFXOQPAS-YVNNLAQVSA-N 390.366 4.750 30 40 GJEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 20761832 ZLGHSIKOQOQXSN-WSDLNYQXSA-N 385.807 4.641 30 40 GJEB CCOC(=O)c1c(-c2ccccc2)csc1NC=C1C(=O)CC(C)(C)CC1=O 100998814 WQIAHOXANSEMAP-UHFFFAOYSA-N 397.496 4.846 30 40 GJEB CCCCCCC[C@H](O)CCC(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C 101456504 MQUGSQVEZVTACL-OALUTQOASA-N 377.525 4.675 30 40 GJEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cc2ccccc2o1 104328208 YUDRBHRRECFBOH-NJNXFGOHSA-N 387.826 4.884 30 40 GJEB Cc1nn(C)cc1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 105262254 QSCIZHIRAXFDOO-WOSMEWOFSA-N 390.531 4.765 30 40 GJEB CCC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]3O)[C@@H]21 118924176 HONIPOFOKOETAA-PMUYALBOSA-N 376.562 4.528 30 40 GJEB C[C@H]1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 245265347 GGOGNFQWTSTWHA-CYTZHPSJSA-N 378.384 4.969 30 40 GJEB COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 408629012 HWFKHTQGCALVGM-AWEZNQCLSA-N 398.528 4.797 30 40 GJEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O 409067178 BTZYICHSLXKXPI-KBVGCWLLSA-N 381.881 4.748 30 40 GJEB CCOc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1OCC 940386 YHYFPBRDLOZCFN-YDZHTSKRSA-N 396.516 4.558 30 40 GJEB C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1occc1C 3447511 LWFJRDSDIDDCOM-UHFFFAOYSA-N 392.484 4.797 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nnc1-c1ccoc1C 6911102 UZWWPIVISJWKAB-CQSZACIVSA-N 392.484 4.877 30 40 GJEB C[C@@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 6937122 RNERNTZEZOERER-JTQLQIEISA-N 379.272 4.897 30 40 GJEB CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 36611089 IBOWBRXTKGXSAL-DNTJNYDQSA-N 398.822 4.645 30 40 GJEB N#CCCSc1ccccc1NC(=O)c1ccn(-c2ccccc2Cl)n1 108200744 SBJWICBERXCIAP-UHFFFAOYSA-N 382.876 4.784 30 40 GJEB CC(=O)[C@@]1(SCCO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936565 SJVXJEWDULFCDU-KOORYGTMSA-N 390.589 4.572 30 40 GJEB C=CCNC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224948828 YTKFIMMWGMJTKW-UHFFFAOYSA-N 383.245 4.687 30 40 GJEB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(C4(C#N)CC4)cc3)c2)n1 225914802 LJHKYMQIMUXSQC-UHFFFAOYSA-N 383.455 4.645 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1 408818699 OLLLJRCZYLWETR-UNOMPAQXSA-N 383.444 4.799 30 40 GJEB CCCCCCCOc1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1 2137269 SQKAHYNWTLIYEF-UHFFFAOYSA-N 390.505 4.840 30 40 GJEB COc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccn2)cc1 5540845 ZFHOIJKCYHCWHT-TXMURAQZSA-N 386.451 4.763 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1 5603458 SREYCQXSHLLTKS-FYJGNVAPSA-N 392.371 4.528 30 40 GJEB C=CCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1nc(-c2ccccc2)cs1 14723935 CDVYUFCQDZTMRS-UHFFFAOYSA-N 379.441 4.860 30 40 GJEB C=CCc1cc(C(=O)NCCSCc2cccc(Cl)c2)ccc1OC 408702489 GXMLBGICEZULHU-UHFFFAOYSA-N 375.921 4.740 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 2063669 HLUNJRRTEFLSSE-LJQANCHMSA-N 387.907 4.897 30 40 GJEB O=C(Oc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1)c1cccnc1 3233298 OFTIRJIGGGOWTD-BRJLIKDPSA-N 386.329 4.950 30 40 GJEB Cc1ccc(N2C(=O)/C(=C\NC3(C#N)CCCCC3)c3ccccc3C2=O)cc1C 3416626 QXMBTGMOMIXYJU-JCMHNJIXSA-N 399.494 4.647 30 40 GJEB CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccccc3)N(N(C)C)C2=O)cc1 4725734 WRXPAKSVLKRDGI-OPAWIXSSSA-N 394.544 4.613 30 40 GJEB COc1cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC 4921855 BKQVINHMSLSCQT-LSFURLLWSA-N 388.773 4.831 30 40 GJEB CCc1sc2nc(S[C@@H](C)C#N)n(Cc3ccc(C)cc3)c(=O)c2c1C 6079131 ACHUBNBTPSIXLB-ZDUSSCGKSA-N 383.542 4.690 30 40 GJEB CCn1cc(/C=C2/Oc3c(ccc(OCC(C)=O)c3C)C2=O)c2ccccc21 8992023 UHHKQAWXSCYCGP-SRZZPIQSSA-N 375.424 4.554 30 40 GJEB Cc1ccc(Sc2nc3ccccn3c(=O)c2/C=N/Nc2ccccc2)cc1 19879725 LHAMASYKFFOZIE-HZHRSRAPSA-N 386.480 4.600 30 40 GJEB C=CCSc1ccccc1C(=O)Nc1ccc(I)cc1 219797724 LGFWVVVDGIOOSR-UHFFFAOYSA-N 395.265 4.822 30 40 GJEB CSc1nncn1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408809415 HMOUSCHRXCATLD-ZVBGSRNCSA-N 393.299 4.768 30 40 GJEB C[C@H]1CC/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 585139723 ONLDEJGGZKGRQR-SKQUIMOLSA-N 378.384 4.969 30 40 GJEB COc1ccc(-c2c(C(=O)Nc3ccccc3)c(C)[nH]c(=S)c2C#N)cc1 856102 NUWSOOFUBUJHTB-UHFFFAOYSA-N 375.453 4.852 30 40 GJEB CCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060502 CAGNQQMTBODURG-OAQYLSRUSA-N 397.515 4.641 30 40 GJEB CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Br)c1OC 5128817 SQYAJOQAAWCZAC-BJMVGYQFSA-N 391.261 4.761 30 40 GJEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 6294496 ILURQYJOMAKTOE-JOCHJYFZSA-N 399.446 4.868 30 40 GJEB C=C(C)CSc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)s1 7230682 FRCNSMDXXVNZRE-JTQLQIEISA-N 385.967 4.979 30 40 GJEB Cc1cccc2cc3c(nc12)S/C(=N/C[C@@H]1CCCO1)N(Cc1ccco1)C3 13116446 NWBNUVKWUXHDII-CCWVLBSLSA-N 393.512 4.779 30 40 GJEB Cc1sc(NC(=O)Cn2c(SC(C)C)nc3ccccc32)c(C#N)c1C 14077908 WTQSPDJKVDKSCY-UHFFFAOYSA-N 384.530 4.726 30 40 GJEB COc1ccccc1CN/N=C/c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 20762563 SUUDTUVDHKXQGI-AFUMVMLFSA-N 397.906 4.888 30 40 GJEB O=C(Oc1ccccc1/C=N/Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 59417082 ZETKHTRHIVNQLF-YDZHTSKRSA-N 390.830 4.882 30 40 GJEB CC1(C)CC(=O)C([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(F)cc2)C(=O)C1 100007464 ZQYZRTIMBYSWRU-LJQANCHMSA-N 386.463 4.685 30 40 GJEB C=CCOc1cccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)c1 225734782 WPLQOPFUHQVTJN-UHFFFAOYSA-N 383.561 4.763 30 40 GJEB N#Cc1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2C1CCNCC1 1772715329 XURYHIIZKKEKON-QFIPXVFZSA-N 399.498 4.570 30 40 GJEB N#Cc1c(SCCN2CCCCC2)nc2c(c1C(F)(F)F)CCCCC2 4620411 KHNJKXCTMORIRY-UHFFFAOYSA-N 383.483 4.819 30 40 GJEB Oc1c(Br)cc(Cl)cc1/C=N/Nc1cccc2cccnc12 5006190 FNSSLIOIYLELSY-AWQFTUOYSA-N 376.641 4.802 30 40 GJEB CCCCOc1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1 6390441 MCHXEVIIGFCPIN-CYVLTUHYSA-N 375.424 4.608 30 40 GJEB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3n2CCC#N)c(Cl)c1 12644048 LNEBZCASLVAXDN-UHFFFAOYSA-N 398.919 4.951 30 40 GJEB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1ncccc1C#N 14071387 RJHMCCAUFMPOJK-UHFFFAOYSA-N 379.485 4.629 30 40 GJEB Ic1ccccc1/N=C/c1ccc(N2CCCC2)cc1 15224837 XHKZOHITFKCNMY-CPNJWEJPSA-N 376.241 4.642 30 40 GJEB CCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OCC 20797205 NHTWXUXACQIYEC-JOCHJYFZSA-N 391.471 4.712 30 40 GJEB C=CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225688080 SXUXHTUNUROFES-LJQANCHMSA-N 398.528 4.849 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253370068 LNURYWGKYJSNOL-RSONWCAJSA-N 396.575 4.869 30 40 GJEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1C 408878057 WAEGHOYLHKSWFZ-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 409011905 PASOTNLJOAIVBS-MDBUFAAASA-N 379.485 4.801 30 40 GJEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)o1 409072370 BWXAFPSPHWZMIC-YVNNLAQVSA-N 376.294 4.715 30 40 GJEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(C)cc1 409082816 TWDPCOAOHITUAJ-STZFKDTASA-N 399.446 4.927 30 40 GJEB CCOc1ccc(Br)cc1/C=N/Nc1ccc(C(F)(F)F)cn1 409103651 CUQRYOGJGCSUEZ-ODCIPOBUSA-N 388.187 4.708 30 40 GJEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccco1 409280244 AZGKXPXVYFMHTN-UHFFFAOYSA-N 383.329 4.558 30 40 GJEB C=CCc1cccc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc12 678518 DJCQKDBUAICQRS-UHFFFAOYSA-N 384.229 4.536 30 40 GJEB COc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)ccc1O 1274555 QZJXQQSKLWCBIN-CHHVJCJISA-N 395.267 4.599 30 40 GJEB N#C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(=S)Nc1ccccc1Cl 6513760 JBTPUMQIJZGWRT-LBPRGKRZSA-N 397.809 4.877 30 40 GJEB N#Cc1ccccc1OCC(=O)Oc1ccc(-c2nc3ccccc3s2)cc1 6589247 AOCXGPBOSBUPMR-UHFFFAOYSA-N 386.432 4.819 30 40 GJEB N#Cc1ccsc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 6610487 IMXXYDSPIMGWNN-UHFFFAOYSA-N 376.466 4.786 30 40 GJEB O/C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)=N\c1ccccc1Cl 82093526 ASUPHKMPUWYOMO-GOSISDBHSA-N 386.879 4.926 30 40 GJEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 224705298 PEBSZPSFDAEGPW-UHFFFAOYSA-N 375.799 4.740 30 40 GJEB CC(C)Oc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409400986 BKRMZSNKGBSLLK-UHFFFAOYSA-N 383.451 4.733 30 40 GJEB COc1ccccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1893042 UQWKKOFXPGAPNH-CQSZACIVSA-N 384.501 4.551 30 40 GJEB CCN(CC)c1ccc(/C=N/c2ccc(I)cc2)cc1 2816543 STGGDMCSPRLKIE-CPNJWEJPSA-N 378.257 4.888 30 40 GJEB COc1cccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)c1OC 19860987 DDCMCTTWNIMUCV-XKZIYDEJSA-N 396.516 4.805 30 40 GJEB N=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[C@@H]1c1nccs1 34689628 UZFQOAVPARKGHN-UTYDTHAWSA-N 397.437 4.729 30 40 GJEB CCSc1nncn1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 36611390 LVWQPKADYZKSMP-DNTJNYDQSA-N 397.287 4.751 30 40 GJEB C=CCc1cc(/C=N/c2ccc(CCCC)cc2)cc(OC)c1OCC(=O)O 59249365 ODGLPCAGGLJVHM-BUVRLJJBSA-N 381.472 4.980 30 40 GJEB CCCCCCCCCCCC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccccc1 70665136 IACUXSHHRCNDBX-YADHBBJMSA-N 391.552 4.689 30 40 GJEB biogenic C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)cc1OCC 101562367 FGWOSQUHTJPIAZ-OCIPIQTLSA-N 394.496 4.884 30 40 GJEB CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)ccc1OC(C)C 409047869 VBTSTEIOZHPOSQ-LIMNOBDPSA-N 390.299 4.586 30 40 GJEB N#CCCC[C@@H](NCc1cnc2ccc(Br)cn12)c1ccccc1 560561533 JKNDOCHZKQVWJV-GOSISDBHSA-N 383.293 4.622 30 40 GJEB CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccccc3)c2CO1 2276084 LVHGIZPSPHXZCT-UHFFFAOYSA-N 398.462 4.733 30 40 GJEB C#CCSc1nnc(-c2ccc(Cl)nc2)n1-c1cccc(C(F)(F)F)c1 2564926 CWCLYVLHUVCOER-UHFFFAOYSA-N 394.809 4.727 30 40 GJEB C[C@@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(C#N)c2C1 4072657 PEYCYNNPYGPVFD-SECBINFHSA-N 375.837 4.558 30 40 GJEB COc1cc(/C=C/C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(F)F 5128335 DQNCCNQDDWUHEZ-QHHAFSJGSA-N 383.734 4.754 30 40 GJEB CN(C)/C=N/C(=O)c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1 5248042 IRBMWPNOSORTDZ-LSFURLLWSA-N 387.814 4.635 30 40 GJEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cccc3ccccc23)c1 5737578 BTKWBLCMXLTPFL-UHFFFAOYSA-N 386.451 4.560 30 40 GJEB CCN(CCC#N)c1ccc(CNC[C@H](c2ccccc2)N2CCCC2)c(C)c1 22358352 XULKTHZHEJLYDR-RUZDIDTESA-N 390.575 4.662 30 40 GJEB N#Cc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 24356175 SAFCPHLMKPVRFY-DHDCSXOGSA-N 384.823 4.538 30 40 GJEB CCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cccc1OC 38361076 OCJXSSRGZOUJIN-XGHAMVSDSA-N 396.512 4.890 30 40 GJEB C[C@H](C#N)CSc1ccccc1NC(=O)Cc1coc(-c2ccccc2)n1 65453485 SKPIICWHUTWHSA-OAHLLOKOSA-N 377.469 4.775 30 40 GJEB O=C(O)c1c(C(F)(F)F)nc2ccc(OC(F)(F)F)cc2c1C(F)(F)F 96171846 WSLIYVBCRNRLPQ-UHFFFAOYSA-N 393.161 4.869 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 102599244 LKANPPUZBGDTOM-SELCWUDQSA-N 387.838 4.701 30 40 GJEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 208462182 ODAAGOHRNIUUQK-SSDVNMTOSA-N 385.855 4.721 30 40 GJEB C=CCOc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409304118 KGCOVLXUYALFRV-UHFFFAOYSA-N 387.483 4.891 30 40 GJEB CCOC(=O)c1c(/N=C/c2ccc(N(CC)CC)cc2O)sc2c1CCC2 710715 FHRZOBSYGWKHME-LPYMAVHISA-N 386.517 4.716 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)c(C#N)cc2c1 1354830 WOWRGMQSLXROQH-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 1440242 SFSJUPHOHNFSES-FOPRYUNUSA-N 396.874 4.571 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/c2ccc3nc(-c4cccc(F)c4)oc3c2)c1O 3113295 SXUNUVLVMNWZPG-SSDVNMTOSA-N 377.331 4.998 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(CC)cc1 4919217 IOLZPMSLGGJZPA-JTHBVZDNSA-N 378.468 4.577 30 40 GJEB Cc1cc(C)c(C#N)c(SCC(=O)NC2c3ccccc3-c3ccccc32)n1 9658577 CRFBAHNJJLVBDO-UHFFFAOYSA-N 385.492 4.548 30 40 GJEB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 19855518 NCYLXMPRWGDVFU-NRFANRHFSA-N 394.515 4.562 30 40 GJEB C=CCSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 24908139 CMXZMAMSJWHQBY-LJQANCHMSA-N 394.540 4.764 30 40 GJEB N#CCCn1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c2ccccc21 25062141 AQQNKQBBCARIKZ-UHFFFAOYSA-N 383.480 4.777 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccc(Cl)cn2)[C@@H]1c1ccccc1)c1ccccc1 27025674 QKJMXNHRZOOVHY-LJQANCHMSA-N 390.826 4.518 30 40 GJEB O=C(CO/N=C\c1ccc(OCc2ccccc2)c(Cl)c1)Nc1ccccc1 33380137 IPPGCZAERWGCIE-OYKKKHCWSA-N 394.858 4.908 30 40 GJEB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC#N)cc1 95946666 NNAYXBIPOFSJJG-ICFOKQHNSA-N 384.435 4.801 30 40 GJEB CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 101972826 LEOMDNLRONVSKY-OAQYLSRUSA-N 399.494 4.854 30 40 GJEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225114839 IXEVHJLOHPCZCW-UHFFFAOYSA-N 390.263 4.522 30 40 GJEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](O)(C#Cc4ccccc4)[C@@H]3CC[C@H]12 253617410 LCZMXUQOODFQOP-MEBHLCQSSA-N 378.556 4.783 30 40 GJEB C#CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O 408530503 JNNVFQAAKPJFMC-PDGQHHTCSA-N 382.872 4.552 30 40 GJEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(OCC)cc1 408707031 IKAWHQRKHHYSOJ-UHFFFAOYSA-N 390.568 4.739 30 40 GJEB C=C1C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 5383410 XSNMCQGNVPSIQM-ZUYVPRDGSA-N 384.516 4.575 30 40 GJEB CCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N/c1ccc(OC)cc1 100260190 CRGMHPKKPUKSBC-GWSFVKJMSA-N 383.517 4.665 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/[C@H](CCO)c2ccc(OCc3ccccc3)cc2)cc1 100465911 CAWCMADNJSWKLE-DIVQNALZSA-N 390.439 4.716 30 40 GJEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CCOc1ccc(Cl)cc1 225863010 LVKVWZXWNFVCBI-UHFFFAOYSA-N 386.282 4.919 30 40 GJEB COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 753173 ABZYLKSEPYXAHI-JOCHJYFZSA-N 378.472 4.926 30 40 GJEB N#Cc1ccc(Oc2ccccc2NC(=O)c2ccc(Br)o2)cc1 885901 PQKSCZIJPGQHTG-UHFFFAOYSA-N 383.201 4.958 30 40 GJEB COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1OC 4729027 CUJQKPIQOCCCCD-UKHVQANPSA-N 394.559 4.811 30 40 GJEB O=[N+]([O-])c1cccc(-c2cs/c(=N/N=C/c3c(Cl)cccc3Cl)[nH]2)c1 9319716 YXDXQODZDKBBTD-UFWORHAWSA-N 393.255 4.893 30 40 GJEB CCOc1ccc2c(c1)S/C(=C1/Sc3cc(OCC)ccc3C1=O)C2=O 16990360 VMXWZRNWXZSSCE-FMQUCBEESA-N 384.478 4.973 30 40 GJEB Cc1c(/N=C/c2cccn2-c2ccc(Br)cc2)cccc1C(=O)O 59302732 WBGAFYMBMGQQOC-CIAFOILYSA-N 383.245 4.997 30 40 GJEB CCCCCCCCCCCCOCCCNS(=O)(=O)c1ccc(N)cc1 104351225 SMWOXYRPEZRAKK-UHFFFAOYSA-N 398.613 4.875 30 40 GJEB Cc1ccc(CSc2nc(N)c(C#N)c(Cc3ccc(Cl)cc3)n2)cc1 223669038 CJIKKDKRRXWXNP-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB COc1cccc(-c2noc(COc3ccc(-c4ccc(C#N)cc4)cc3)n2)c1 8428614 SVIAOBNMMKFPPZ-UHFFFAOYSA-N 383.407 4.863 30 40 GJEB C=C(C)CSc1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 15987374 VTHRYTIXETZTBR-OAHLLOKOSA-N 375.494 4.546 30 40 GJEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1cccc(OC)c1)C2=O 20648353 JQJHXIVTZQTJJO-STZFKDTASA-N 381.472 4.639 30 40 GJEB O=C(O)C(=O)/C(=C\c1ccc(-c2ccccc2F)o1)c1ccc2ccccc2n1 96843596 SRVRJHMERTZCBJ-LGMDPLHJSA-N 387.366 4.828 30 40 GJEB CC1(C)[C@@H]2CC=C(/C=N/n3c(S)nnc3-c3ccc(OC(F)F)cc3)[C@@H]1C2 103207195 DJOCRULSOVSQHK-RZXAVFCKSA-N 390.459 4.662 30 40 GJEB C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cccc1OC 408529477 HYKNVXBQZFSJDO-PDGQHHTCSA-N 399.443 4.636 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)ccc3OC)S2)cc1 408950814 GJMKFIULIZRDGE-GZTJUZNOSA-N 388.876 4.639 30 40 GJEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o1 409045568 PZQKRKCCJHDLIR-QPJQQBGISA-N 399.222 4.569 30 40 GJEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(CCCC)cc3)c2C)C1=O 409137238 WAWUPUHHZHZBES-RCCKNPSSSA-N 377.488 4.515 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 792083 PUXIFERRZRBNKP-YSRRJJCPSA-N 385.489 4.657 30 40 GJEB COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccc(F)cc1 5560303 NEYHLCAPSKJFRO-ZMOGYAJESA-N 390.418 4.736 30 40 GJEB C=CCn1c(S[C@H]2CCCCC2=O)nc2scc(-c3ccccc3)c2c1=O 6078836 RDXRSEZGBZTXGL-KRWDZBQOSA-N 396.537 4.915 30 40 GJEB Cc1noc(C)c1COc1ccc(CC(=O)Nc2sc(C)c(C)c2C#N)cc1 21248253 JUXWZGKMXVDDPN-UHFFFAOYSA-N 395.484 4.602 30 40 GJEB C=CCN(Cn1nc(C)n(Cc2ccccc2)c1=S)[C@@H]1CCc2ccccc21 32916164 BHDZGJFXEZUOOM-JOCHJYFZSA-N 390.556 4.904 30 40 GJEB N#Cc1cn(C(=O)/C=C/c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc12 226362291 MJDVJYPKQZMGTK-SOFGYWHQSA-N 396.200 4.537 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 409054982 OUPOSKLAXSUHFM-RGEXLXHISA-N 399.443 4.506 30 40 GJEB CCOC(=O)N1C/C(=C\c2ccccc2C)C(=O)/C(=C/c2ccccc2C)C1 5709641 FKLUWWMDWZWNMX-JFMUQQRKSA-N 375.468 4.812 30 40 GJEB CCN(c1ccc2oc3ccccc3c2c1)S(=O)(=O)c1ccccc1C#N 6083107 QEDCURDXWWYDJB-UHFFFAOYSA-N 376.437 4.673 30 40 GJEB CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccccc1 20761613 ZCCOJOKWPRJUEC-PCLIKHOPSA-N 390.483 4.797 30 40 GJEB N#Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2cccc(F)c2)cc1 40158294 RZCNGYRTJVKRKC-UHFFFAOYSA-N 375.403 4.808 30 40 GJEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c(C)c1 54979084 IUMYWMYOKBEWND-CWJYSFMFSA-N 395.528 4.510 30 40 GJEB N#Cc1c(NC(=O)CSc2nncc3ccccc23)sc2c1CCCCC2 84598799 IYCMUKLSQUATAM-UHFFFAOYSA-N 394.525 4.563 30 40 GJEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 101231672 QOLRSDIYXNEOHV-MRJHHRETSA-N 375.468 4.726 30 40 GJEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408858914 UMZFZLSXMAZRBG-NDENLUEZSA-N 396.512 4.930 30 40 GJEB C#CCOc1c(Cl)cc(CNc2ccc(Br)cc2)cc1OC 409198254 AYTCNEQACAAQAV-UHFFFAOYSA-N 380.669 4.735 30 40 GJEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)cc(C)cc1C 409297099 VXMOWQDIQAMDFT-UHFFFAOYSA-N 398.304 4.529 30 40 GJEB COc1ccc(Oc2ccc(/N=C/c3cn(CC(N)=O)c4ccccc34)cc2)cc1 409386379 SUJDFZWGWOUXNC-VULFUBBASA-N 399.450 4.678 30 40 GJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 711019 PPVVPUYJHGCWEF-SSDVNMTOSA-N 377.331 4.998 30 40 GJEB COc1cccc(/C=C2/CCC/C(=C\c3cccc(OC)c3OC)C2=O)c1OC 2784852 NCHAALDGNRJQFO-QUDUTFMFSA-N 394.467 4.941 30 40 GJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 4936334 PHFFAYUDDXIRGO-LJQANCHMSA-N 399.874 4.727 30 40 GJEB CC(C)c1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)s2)cc1 7988535 ZLEUWRVMYAURDD-CQSZACIVSA-N 392.484 4.606 30 40 GJEB COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(Cl)cc1Cl 8221905 UGEMZHIGKKLZMG-ICRFPGRDSA-N 380.227 4.734 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 8362993 HLMJNLIFISQBDK-KDWIEBRMSA-N 381.457 4.836 30 40 GJEB Cc1cccc(OCCSc2nc(O)c(C#N)c(-c3ccc(Cl)cc3)n2)c1 15859802 BDFDFQVAAMKOIM-UHFFFAOYSA-N 397.887 4.854 30 40 GJEB COc1ccc(OC)c(S/C=C/C(=O)c2ccc(Br)cc2)c1 16215586 ILGMLLSBADCRLF-MDZDMXLPSA-N 379.275 4.955 30 40 GJEB C=CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)N=C1O 83318136 RFBDFYSCOGJYNY-SFQUDFHCSA-N 396.830 4.720 30 40 GJEB COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(C)c([N+](=O)[O-])c3)nc1-2 408722579 LDRJKQMLUAUXJA-AWQFTUOYSA-N 381.413 4.678 30 40 GJEB Cc1nc2c(n1[C@@H]1CCN(c3c(C#N)cnc4c(Cl)cccc34)C1)CCCC2 567893863 BYWVRKPPQLZCQP-MRXNPFEDSA-N 391.906 4.595 30 40 GJEB CCOc1ccc(-n2c(SCCC#N)nnc2-c2cccc(Cl)c2)cc1 3328645 FZKRNFUYRBYXRS-UHFFFAOYSA-N 384.892 4.992 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(C)c1 5499830 LKDKWKDJCBUPIV-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB COc1cc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)ccc1O 5555708 XYWVSFDRCAXLBU-AUEPDCJTSA-N 376.441 4.519 30 40 GJEB C/C(=N\NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C#N)cc1 6049378 HSOZKYZKTUWYJQ-YSURURNPSA-N 396.825 4.941 30 40 GJEB N#Cc1ccc(COc2ccccc2/C=N/NCc2ccc(Cl)cc2)cc1 10118993 ZRKCAUJQYIOICQ-CVKSISIWSA-N 375.859 4.914 30 40 GJEB C=CCSc1nnc(NC(=O)CCCSc2ccc(Cl)cc2)s1 16008347 OOFZXRVMHFXDRL-UHFFFAOYSA-N 385.967 4.981 30 40 GJEB CCOc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1 408590796 HYOADVXCUJRNSK-OEAKJJBVSA-N 393.443 4.952 30 40 GJEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1cccc(Cl)c1 408752843 KVEHIQPQQJPCIR-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1Cl 4472137 RWWDIJCAPAIMCM-GMROUXNLSA-N 384.284 4.840 30 40 GJEB COc1cc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)ccc1O 5551243 VRTHYWJLSDWAMV-CHHVJCJISA-N 395.267 4.599 30 40 GJEB Cc1ccc(-c2ccsc2C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 6607471 ISFBVTPWGPKCKM-INIZCTEOSA-N 396.493 4.522 30 40 GJEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1Cl 9332905 YSMYZLOGZSIYAB-SZNDQCEHSA-N 390.874 4.656 30 40 GJEB C=CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1OC 12784149 HNENTXWOHZFXGB-NRFANRHFSA-N 379.481 4.841 30 40 GJEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Cl)cc1 103614337 LSBGHCSSHKLWGM-GZPGGVKTSA-N 387.917 4.944 30 40 GJEB CCCCCCCCCCCCCC(S(=O)(=O)CC)S(=O)(=O)CC 104134606 XQNXBVWNQPYXQS-UHFFFAOYSA-N 382.632 4.883 30 40 GJEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 219783668 ZLEHSUYTIONAJR-UHFFFAOYSA-N 378.472 4.520 30 40 GJEB COc1cc(/C=N\O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 408540070 MPDDYLJKKDHNAI-OYKKKHCWSA-N 393.439 4.670 30 40 GJEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 408560122 BCSDLYHNQIQXER-UHFFFAOYSA-N 399.347 4.844 30 40 GJEB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 408605988 ZZKOWXNHXGDJBJ-XDHOZWIPSA-N 378.453 4.584 30 40 GJEB Cc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1Cl 2076288 MKEUHOHSYGNRRB-YVLHZVERSA-N 383.860 4.633 30 40 GJEB COc1ccc(S(=O)(=O)c2ccccc2)cc1/N=C/c1ccc(F)c(F)c1 3229157 XJJXIPPFFGWGDM-YDZHTSKRSA-N 387.407 4.557 30 40 GJEB Cc1cc(C)cc(-n2c(SCC#N)nnc2-c2ccc(Br)cc2)c1 3351557 LLAJMKNLQJKPHX-UHFFFAOYSA-N 399.317 4.929 30 40 GJEB Cc1ccc(/N=C2\SCC(C)(C)N2C(=O)c2cccc(C)c2[N+](=O)[O-])cc1 3409585 YGBIANUZOFFQOK-VZCXRCSSSA-N 383.473 4.867 30 40 GJEB CCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 4899141 OXQUGQKLUWCXPA-LXYRJJAWSA-N 383.492 4.768 30 40 GJEB COc1cc(Br)cc(/C=N/c2ccc(C(C)(C)C)cc2O)c1O 6615502 FPURTLKOCHCWAD-KEBDBYFISA-N 378.266 4.917 30 40 GJEB COc1ccc(-c2nnc(SCc3ccccc3C#N)n2CC(C)C)cc1 7005503 XZPGXUOFBPYWIO-UHFFFAOYSA-N 378.501 4.774 30 40 GJEB CC/N=C1\S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C(=O)N1CC 9323319 NPKCZJMKUJKCBX-QNQNADBQSA-N 380.513 4.886 30 40 GJEB CC(=O)Nc1sc(N/N=C/c2ccc(N(C)C)cc2)nc1-c1ccc(C)cc1 13569352 AMJOXYDPIOLHMR-LPYMAVHISA-N 393.516 4.589 30 40 GJEB CCCc1ccc(C#N)c(SC(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 13578789 JDOYJYGRSMQNFQ-UHFFFAOYSA-N 398.488 4.632 30 40 GJEB C=CCc1cc(C(=O)NCCSCc2c(F)cccc2Cl)ccc1OC 14397938 RNVNUNMOEXMKOY-UHFFFAOYSA-N 393.911 4.879 30 40 GJEB Cc1ccc(COc2c(Br)cc(Br)cc2C#N)cc1 33482111 LANPVPJMGMPYJP-UHFFFAOYSA-N 381.067 4.971 30 40 GJEB FC(F)[C@H](O[C@@H](C(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 100503205 WFQCEBZFZTUXHG-LWMBPPNESA-N 382.091 4.666 30 40 GJEB CCCCCCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 101125787 SMDPBDOAJKYUOC-UHFFFAOYSA-N 375.534 4.823 30 40 GJEB Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)s1 4616526 KUGHXRQWVAQBFW-KGENOOAVSA-N 382.510 4.559 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C)c(C)c1 4664389 HHSAIZMCDOLEOR-NNSJDREZSA-N 396.512 4.945 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccc(Cl)c1 4918297 AMCZKCFVZWYSMG-PZJWPPBQSA-N 384.859 4.668 30 40 GJEB CCn1cc(C(=O)/C=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C)n1 6490240 WHRSRQAKKQKULI-YVMONPNESA-N 385.807 4.929 30 40 GJEB C=CCN(C(=O)/C=C/c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 6648450 CHMJLQFXCUSFCX-MDWZMJQESA-N 391.452 4.951 30 40 GJEB COc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl 9196884 BTFYDZGDHMPUFW-UFWORHAWSA-N 388.092 4.888 30 40 GJEB N#C[C@@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2[nH]1 12575611 MLTMURQSFPWMSB-VIFPVBQESA-N 394.645 4.778 30 40 GJEB CCOc1cc(/C=C/C(=O)c2cccc(O)c2)cc(Br)c1OCC 13140777 ZDOPHOFGPCYKJD-CMDGGOBGSA-N 391.261 4.848 30 40 GJEB N#CCCN(c1ccc(/C=N\c2ccccc2)cc1)S(=O)(=O)c1ccccc1 103845210 BGGVTOMPSDLRFU-MOHJPFBDSA-N 389.480 4.546 30 40 GJEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2C3=C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 263609797 VLQLBBGNUJQREB-RBQPQTDSSA-N 384.516 4.575 30 40 GJEB C=CCn1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408784250 PTWFFLUEONSLJC-LJJBLSSYSA-N 389.524 4.989 30 40 GJEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)NCCc1ccccc1 408802437 FBCAIBNVVYZXMQ-QQXSKIMKSA-N 392.886 4.828 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc(C)c1 408810165 KAGQMTTTYAZNLC-MOSHPQCFSA-N 379.481 4.969 30 40 GJEB C=CCc1cc(/C=N/O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409080187 MMEQPTBFDDIRQZ-LSHDLFTRSA-N 396.321 4.951 30 40 GJEB N#Cc1cc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nc2ccccc12 542965179 GMQFLCHKOLGQGD-IBGZPJMESA-N 383.373 4.703 30 40 GJEB COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1OC(F)F 652581 RTBGHQFDAWWZGP-JTQLQIEISA-N 392.427 4.607 30 40 GJEB COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1O 2692990 WBZLJINITZJZOP-UHFFFAOYSA-N 396.483 4.801 30 40 GJEB COC(=O)/N=C(/N=C(\O)OC)Nc1ccc(C)cc1/N=N/c1ccc(C)cc1 16157650 XTCXNGZARJTYDT-WCWDXBQESA-N 383.408 4.814 30 40 GJEB CCOc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 38203392 NDVNGJKQULOCMI-NDENLUEZSA-N 380.360 4.501 30 40 GJEB COc1cc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc(OC)c1OC 96930486 PZSUUYGIMLGOMG-SDQBBNPISA-N 376.861 4.738 30 40 GJEB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2 100535539 DPTLRVFMVKZVFI-UNOMPAQXSA-N 390.512 4.834 30 40 GJEB CCCCCCCC[S@@](=O)C[C@@H](CO)[S@@](=O)CCCCCCCC 100952008 POEADAGXPOJBRC-VEXUSMLFSA-N 380.660 4.566 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccc(C)c1 2443055 XIJRUNMVXMCFGH-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 3022621 FCWYNTDTQPCVPG-UMCMBGNQSA-N 382.500 4.941 30 40 GJEB endogenous,in-man COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c1 4944915 WEOPBYZRIIHEAO-LJQANCHMSA-N 391.467 4.540 30 40 GJEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(Br)cc3)S2)c1 6266264 KOCWMASIWQYJTD-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccc(C#N)cc2)cc1 7719245 YQYZAFWKXIUGHP-BUHFOSPRSA-N 381.479 4.758 30 40 GJEB N#Cc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1 8811758 NGPYXYMJFLEGPK-CVKSISIWSA-N 375.859 4.914 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Oc1c(c(=O)[nH]c3ccccc13)[C@@H]2c1ccc(F)cc1 9926829 PFIBQQIXUHEEGJ-LJQANCHMSA-N 389.426 4.835 30 40 GJEB COc1ccc(/C=N/C(/N=C/c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 18039846 ZQFYYAAGWWPBQS-ZZZAPRPPSA-N 388.467 4.949 30 40 GJEB Cc1ccc(N2C(=O)C[C@H](c3ccccc3OCc3ccccc3)[C@H]2C#N)cc1 26896063 QXGRSOFDQNGMTF-DHIUTWEWSA-N 382.463 4.987 30 40 GJEB COc1ccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 33924210 JUYALBXDUVJXIM-JAIQZWGSSA-N 394.412 4.919 30 40 GJEB Cc1ccc2c(Nc3ccc(C#N)cc3)c(C(=O)N3CCCCCC3)cnc2n1 49004679 QVAUSCZLSOTSPU-UHFFFAOYSA-N 385.471 4.570 30 40 GJEB COc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)ccc1O 100298064 NHBRCSKDFNYRRG-JHHKTYBCSA-N 394.496 4.947 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 100601503 YBENFJDXFJLIHT-JOCHJYFZSA-N 376.456 4.503 30 40 GJEB O=C1COC(=O)/C1=C(\Nc1ccccc1)SCc1ccc(Cl)c(Cl)c1 101167381 XFTMADGJLCDEAQ-WUKNDPDISA-N 394.279 4.676 30 40 GJEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 224915236 HXRUDPWSTKAMDE-UHFFFAOYSA-N 393.789 4.879 30 40 GJEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224963705 JLXVUIGMSBEEPS-UHFFFAOYSA-N 379.909 4.655 30 40 GJEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1 408954323 SNAPSJKLBHBAEB-ZHZULCJRSA-N 389.480 4.686 30 40 GJEB C=CCn1c(SCc2ccc(OC)c(F)c2)nc2sc(CC)cc2c1=O 2662941 LTPQAHSTOVLWJY-UHFFFAOYSA-N 390.505 4.646 30 40 GJEB C[C@H]1CCc2c(sc3nc(S[C@@H](C)C#N)n(-c4ccccc4F)c(=O)c23)C1 4241960 ITEIDPMMQAHMQV-RYUDHWBXSA-N 399.516 4.715 30 40 GJEB Oc1c(Br)cc(Cl)cc1/C=N/Nc1nc2ccccc2s1 4610999 BOVJGEWEZDCKSC-REZTVBANSA-N 382.670 4.864 30 40 GJEB CCOC(=O)c1ccccc1N/C(C)=C/C(=O)c1ccc(Br)cc1 5980061 TUQMNAAAQLPKHZ-OUKQBFOZSA-N 388.261 4.824 30 40 GJEB N#Cc1ccc(-c2ccc(OC(=O)CCNc3ccccc3[N+](=O)[O-])cc2)cc1 12527436 MJUXUHLDRIWMTR-UHFFFAOYSA-N 387.395 4.541 30 40 GJEB C=CCc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc(OC)c1OC 19549465 FWAOPUPUEDJFAP-FQEVSTJZSA-N 391.515 4.688 30 40 GJEB CCc1cccc2c(N[C@H](c3cccc(OC)c3)c3nccn3C)c(C#N)cnc12 32932691 TWMDNDICULJTPA-HSZRJFAPSA-N 397.482 4.612 30 40 GJEB Cc1ccc(NC(=O)CO/N=C\c2ccccc2OCc2cccc(F)c2)cc1 33780299 UYJMHFYEZVUCFQ-QFEZKATASA-N 392.430 4.702 30 40 GJEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c(C)c1 54979083 IUMYWMYOKBEWND-VCGVYRDQSA-N 395.528 4.510 30 40 GJEB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(Sc2ccc(C#N)cn2)nnc1-c1ccco1 105714542 LVDNYGLKTYQJQP-NXNVCVFFSA-N 391.500 4.953 30 40 GJEB C=CCc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1OC 225152715 SVDAGWSTYWJYMU-UHFFFAOYSA-N 382.485 4.633 30 40 GJEB Cc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(C)n1C 408864354 URUWVAOIFYACAW-WYMPLXKRSA-N 395.528 4.856 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2C(C)C)cc1 408915202 PNBHQPBQOXISRC-KDWIEBRMSA-N 381.457 4.916 30 40 GJEB CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2O)C2=C1CCCC2=O 409043293 DTHHHZYYHGUMJK-UHFFFAOYSA-N 385.891 4.869 30 40 GJEB Cc1c(Cl)c(C)c(/C=N/c2ccc3c(c2)OCCO3)c(O)c1Br 1435244 MYPVFTVBAKDCNS-DNTJNYDQSA-N 396.668 4.947 30 40 GJEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(C)noc1C 2654003 RCFKZVBALYTHEM-UHFFFAOYSA-N 390.896 4.594 30 40 GJEB COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c1 3279746 PBHVMIXTMITKLR-NTEUORMPSA-N 385.419 4.861 30 40 GJEB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccccc1C#N 6351099 FBIKJFCKFXOSER-UHFFFAOYSA-N 394.540 4.943 30 40 GJEB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(OCC#N)cc3)cc12 23150780 FUWFRHHXNRQQCQ-UHFFFAOYSA-N 388.452 4.550 30 40 GJEB COc1cccc(OC/C(O)=N/c2nnc(SCc3ccccc3)s2)c1 50884625 DNSZGOCUBXUMNO-UHFFFAOYSA-N 387.486 4.506 30 40 GJEB N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1ccc(Br)o1 96346311 ZXFRBUYGUBWNLL-UOXGDLRUSA-N 397.232 4.619 30 40 GJEB C/C(=N\Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccnn1C 96402544 IPEVBYMRIIKNTA-DHRITJCHSA-N 376.851 4.520 30 40 GJEB CCCCCCCCC[C@H](O)CCC[C@@H](O)[C@H](O)CCCCCCC(=O)O 100114089 JHAAEJPYWGVVFN-PWRODBHTSA-N 388.589 4.805 30 40 GJEB CCCC/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CCCC 100918875 JQYGCAWMPJWBFE-QQMHEVNUSA-N 395.956 4.569 30 40 GJEB CCCCCCCC[S@@](=O)CC(O)C[S@](=O)CCCCCCCC 100952006 PHRYBBDFGXUWCV-ZEQRLZLVSA-N 380.660 4.566 30 40 GJEB C=C[C@@H]1C[N@@+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12 257362223 RTHFVUKMXCJYPA-PPPQIFSVSA-N 385.531 4.880 30 40 GJEB C=CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409133535 LGPPORDJUHWIMS-GXDHUFHOSA-N 376.890 4.631 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 409143255 MFMAMRWBZJGCSE-CSKARUKUSA-N 375.255 4.561 30 40 GJEB COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1cccc2ccccc12 4516864 BBHAFLZTSZIVGD-UHFFFAOYSA-N 396.450 4.878 30 40 GJEB C[C@@H]1CCc2c(sc3nc([C@@H](C)SCc4ccc(C#N)cc4)[nH]c(=O)c23)C1 7717669 IMKRZZGPECDNIB-CHWSQXEVSA-N 395.553 4.975 30 40 GJEB CCOc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccccc2)c1C#N 8706701 JZWGRKVJBDDOTM-UHFFFAOYSA-N 399.475 4.866 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S[C@H]1Cc1ccc(Br)cc1 18097582 GIGNBLMKGFWILA-AWEZNQCLSA-N 395.709 4.564 30 40 GJEB CCCCSC1(SCCCC)N=C(N)[C@@]2(C#N)[C@H]3C=C[C@@H](CC3)[C@@]12C#N 100956662 IKXHYTTVFRPNQZ-RNIPGJKVSA-N 388.606 4.694 30 40 GJEB COc1cc(C(=O)/N=C(/c2ccccc2)c2ccc(C)cc2)cc(OC)c1OC 102946289 XDDWUFSYHSHOLB-LVWGJNHUSA-N 389.451 4.699 30 40 GJEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/N1CCCCC1)C2=O 118923012 VDEUHVINUWGYPC-DQKUNKLRSA-N 385.592 4.939 30 40 GJEB Cc1cccc(OCc2nc(SCc3ccc(Cl)cc3)nc(N)c2C#N)c1 223685073 CHONVMLZCDKPAD-UHFFFAOYSA-N 396.903 4.764 30 40 GJEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1C(F)(F)F 225894490 VOYMSMFLUGSCBM-UHFFFAOYSA-N 379.194 4.548 30 40 GJEB Oc1ccc(-n2cccc2/C=N\c2ccccc2I)cc1 409017828 QKJCPZVIAQNMLD-UNOMPAQXSA-N 388.208 4.538 30 40 GJEB COc1cccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)c1 409186942 JWQQBEYEMGCIHN-ZVHZXABRSA-N 391.423 4.732 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)nc1 4048014 RXAPUDMXRKLMAF-SSDVNMTOSA-N 382.807 4.668 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(/C)c2ccc(Br)cc2)cc1 6350582 QOPKYDVYLCIOLT-NDENLUEZSA-N 392.322 4.558 30 40 GJEB COc1cccc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)c1OC(C)C 14008632 SEJIDYBYZULUSJ-LDADJPATSA-N 382.485 4.682 30 40 GJEB Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CCC1)[C@@H](c1ccc(N(C)C)cc1)N2 16266251 AVLQSVGXEDVPDQ-XMMPIXPASA-N 398.510 4.920 30 40 GJEB CCCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OCC 20763292 FGBOCRYTFZBYBA-LPYMAVHISA-N 376.884 4.660 30 40 GJEB CC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc23)C1=O 95471658 NHTDBNAGOIIKID-JIIKEMMSSA-N 377.469 4.677 30 40 GJEB CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100161604 BKOFNMDBMHRLNQ-HXUWFJFHSA-N 376.516 4.968 30 40 GJEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\N1CCCCC1)C2=O 118923011 VDEUHVINUWGYPC-SCQZAMBRSA-N 385.592 4.939 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2OC)C(=O)N1CC 408916227 WGNNYHBUOHJILY-DYEBMTOPSA-N 396.512 4.890 30 40 GJEB CCOCCN1C(=O)/C(=C/c2ccc(OC)cc2C)S/C1=N/c1ccccc1 408928765 IADJZXORRVZFSG-PKEPYMRNSA-N 396.512 4.644 30 40 GJEB CCOC(=O)c1c(NC(C)=C2C(=O)c3ccccc3C2=O)sc2c1CCCC2 971162 VMFCRPWMQXAVCT-UHFFFAOYSA-N 395.480 4.569 30 40 GJEB CCCCCCCCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21 1582354 DYOODHYGYGNQRY-UHFFFAOYSA-N 382.508 4.506 30 40 GJEB COc1ccccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1893041 UQWKKOFXPGAPNH-AWEZNQCLSA-N 384.501 4.551 30 40 GJEB O=C(Nc1cccc(F)c1)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F 2257279 FALVQFAWIZONJN-UHFFFAOYSA-N 396.262 4.847 30 40 GJEB N#Cc1c(NC(=S)NC(=O)c2ccccc2F)sc2c1CCCCCC2 2316720 OVYORJYIFBYSKD-UHFFFAOYSA-N 387.505 4.545 30 40 GJEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Cl)cc1 3013447 LSBGHCSSHKLWGM-GRFWKSNNSA-N 387.917 4.944 30 40 GJEB CCCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 4368709 BJMCTEWOENZVFI-OAQYLSRUSA-N 394.519 4.895 30 40 GJEB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 5692903 RHLSPOBRYGVJDW-OVCLIPMQSA-N 399.490 4.998 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nnc1C1CCCCC1 9457234 OIUCPQZNKRPCMK-IAGOWNOFSA-N 398.576 4.870 30 40 GJEB COc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 12032527 HWUHUSWQHJODJI-ZROIWOOFSA-N 379.268 4.894 30 40 GJEB COc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1Br 34954180 LQJYSIZLFNETFZ-UHFFFAOYSA-N 394.272 4.949 30 40 GJEB Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)c2cccs2)ccc1Cl 96994705 ZUECXLFZIJSTPR-OAHLLOKOSA-N 375.925 4.650 30 40 GJEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102484325 DVMLYGKLKTZYNB-LFVOPCPISA-N 393.826 4.555 30 40 GJEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2C(C)=CC1(C)C 208510675 ZNEGTGPAWBHCGN-FSJBWODESA-N 379.464 4.766 30 40 GJEB N#Cc1ccc(OCc2ccc(F)cc2Cl)c(I)c1 216812227 MDWDTIIBKHZSQF-UHFFFAOYSA-N 387.579 4.534 30 40 GJEB N#CC1(c2ccccc2)CCN(c2ncc(Cl)cc2Br)CC1 1888918289 NNNYCOQTDOOJOU-UHFFFAOYSA-N 376.685 4.559 30 40 GJEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 1424897 LFNHXJDDPXEPNZ-OEAKJJBVSA-N 390.395 4.882 30 40 GJEB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 3449571 SDIYOPLCJFQPCJ-UHFFFAOYSA-N 380.498 4.571 30 40 GJEB CCO/N=C1/C[C@@H](CC(C)C)Cc2nc(NC(=O)c3cccs3)sc21 5178078 YUJOWCJTYDCLPT-NBMDANRKSA-N 377.535 4.806 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c(c3ccccc3oc1=O)O2 9926827 TZKFTYAMOFSCLF-SFHVURJKSA-N 378.811 4.978 30 40 GJEB COc1ccc(/N=C/c2ccccc2)c(NS(=O)(=O)c2ccc(C)cc2)c1 16921225 XNKVFIMTZHMZAK-PXLXIMEGSA-N 380.469 4.555 30 40 GJEB CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1C#N 32970264 FFXYUZFSARYKCQ-IUODEOHRSA-N 381.501 4.541 30 40 GJEB N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 36270244 ADILTNIHSQHJEY-GFCCVEGCSA-N 391.330 4.713 30 40 GJEB C=CCOc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1 225418236 RHHRTNFUIILHSL-UHFFFAOYSA-N 381.545 4.728 30 40 GJEB CC(C)(C)N1CC[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 596727467 RZHLZBUHRZEZIP-GOSISDBHSA-N 392.503 4.592 30 40 GJEB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1N=C1CCCCCC1 1426351 WTWZLIXUSAEWHQ-FQEVSTJZSA-N 378.432 4.872 30 40 GJEB Cn1cc([C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 4811528 JORDTLDEPAVWPU-DHIUTWEWSA-N 384.435 4.838 30 40 GJEB COc1cccc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1OC 15015738 PJJFCPYPVVSYLI-SXGWCWSVSA-N 388.876 4.557 30 40 GJEB Cc1noc2c1[C@H](c1cccs1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 21349492 JGYIUOVMWBOWAM-RBZFPXEDSA-N 378.453 4.708 30 40 GJEB O=c1oc2ccccc2c(NC2CCCC2)c1N/C(O)=N/c1ccccc1F 28048859 HTXCNMBNZKHARP-UHFFFAOYSA-N 381.407 4.944 30 40 GJEB Cc1ccc(C2=[N+]([O-])[C@@]3(CCCC/C3=N\Nc3ccccc3)N(O)C2(C)C)cc1 58158079 YIRGNOBDSYOGJW-BJHAJFLLSA-N 392.503 4.516 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)cc1 104146225 MPBBYVPYTWJICJ-JBCNATCCSA-N 387.410 4.760 30 40 GJEB Cc1ccc(COc2nn(Cc3cccc4ccccc34)c(N)c2C#N)cc1C 225849142 NUPAYLUQVKASDZ-UHFFFAOYSA-N 382.467 4.734 30 40 GJEB O=C(O)c1cc(/N=C\c2cc(Br)c(N3CCCC3)o2)ccc1Cl 408819809 RXQATSHMJFMUQF-OCKHKDLRSA-N 397.656 4.745 30 40 GJEB NC(=S)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 408923906 LCBXFLZWGHTSMQ-AFUMVMLFSA-N 385.492 4.739 30 40 GJEB CCOc1ccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1 840964 GIASHCIIQUDXPY-ZVHZXABRSA-N 378.497 4.896 30 40 GJEB C=CCSc1nc(SCC=C)c2cnc(N3CCc4ccccc43)nc2n1 2181003 ASKRDANHMVNIQS-UHFFFAOYSA-N 393.541 4.670 30 40 GJEB FC(F)Oc1ccccc1/C=N/Nc1nc(-c2ccncc2)nc2ccccc12 4158703 HXZASISEZVGBSO-DHRITJCHSA-N 391.381 4.739 30 40 GJEB Cc1cccc(/N=C2/Sc3nc4ccc(C)cc4cc3CN2CCCO)c1 4858397 YMVNVLXYMKYRGJ-GHVJWSGMSA-N 377.513 4.829 30 40 GJEB CCOC(=O)c1cc(C#N)c(SCc2csc(-c3ccccc3)n2)nc1C 7149405 WIFLBOVXLRHEPV-UHFFFAOYSA-N 395.509 4.854 30 40 GJEB COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N\OC(=O)c1cccc2ccccc12 13468520 QLSVHZCGJWDGPG-FCDQGJHFSA-N 390.395 4.654 30 40 GJEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OCC)C2=O 13655546 DFAQNAWIXAZHGC-STZFKDTASA-N 381.472 4.639 30 40 GJEB N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 38654347 NAXQFXLQSVNQSX-UHFFFAOYSA-N 390.874 4.615 30 40 GJEB COc1cccc2cc(C(=O)/C=C/c3cc(OC)c4oc(=O)sc4c3)oc12 58209683 SLUXHPVPXNTWPY-VOTSOKGWSA-N 382.393 4.514 30 40 GJEB CCCCCCCNC(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 100921668 ZAFDEJXXKIAXQZ-UHFFFAOYSA-N 380.410 4.965 30 40 GJEB CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O 409058062 SDMCXXAKZAVOOO-MOSHPQCFSA-N 392.480 4.974 30 40 GJEB COc1ccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1OC 671954 UWUSJFXBWRVWAY-ZMOGYAJESA-N 394.496 4.514 30 40 GJEB CCOc1ccc2nc(Cl)c(C[C@@H](C#N)C(=O)Nc3ccc(F)cc3)cc2c1 883078 DIIYFRYRDCVXHZ-HNNXBMFYSA-N 397.837 4.747 30 40 GJEB COc1ccc(C)cc1/N=C1\SCCCN1C(=O)COc1cc(C)cc(C)c1 2633366 HFRUZRWRWHQACL-FCQUAONHSA-N 398.528 4.652 30 40 GJEB C[C@H]1CCc2sc(NC(=O)c3cccc(Br)c3)c(C#N)c2C1 4070061 JEACBCZNPAZSEZ-JTQLQIEISA-N 375.291 4.759 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccccc1Br 6684058 KJGJTYDYKUHVNU-UFWORHAWSA-N 388.143 4.822 30 40 GJEB C#CCn1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c2ccccc21 408529614 JENFHLZNGVBMIA-UNOMPAQXSA-N 391.883 4.820 30 40 GJEB CCOc1ccc2ccc(OCC)c(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2c1 409007943 SDPFOFVADYTVSU-HMAPJEAMSA-N 379.416 4.991 30 40 GJEB C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@@H]3[C@@H](/C=N/Nc3ccccc3)[C@H]1C[C@H]42 585153196 YOIXAKPYNYEUBR-FVKRMCJBSA-N 399.562 4.631 30 40 GJEB biogenic,in-vitro COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)cc1OC 1078348 RSGJYTJHAFOXTP-QFIPXVFZSA-N 386.451 4.817 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(C)c1 2442218 LQNGVIUOLGRXDA-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB C=CCOC(=O)COc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 4340102 IDBLDRZYAJRLKO-UHFFFAOYSA-N 384.815 4.530 30 40 GJEB biogenic CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CCCCC2)n1 8993225 XYRXBJNTTGHRKY-UHFFFAOYSA-N 399.482 4.811 30 40 GJEB COc1cccc([C@H](C#N)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1O 13940013 XCNCIUVPFOHMSZ-YADHBBJMSA-N 383.451 4.817 30 40 GJEB CCc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 32984103 YLDYKWBMIGSTOR-UHFFFAOYSA-N 389.476 4.899 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1 408587741 AELZQYDKKUJFDS-YDZHTSKRSA-N 380.375 4.864 30 40 GJEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)S1 408866388 IAJVGSCISUHUHD-SXGWCWSVSA-N 387.848 4.757 30 40 GJEB C=C(C)CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)CCCC3 2273865 GMKRVTPCOBMFGP-UHFFFAOYSA-N 377.513 4.636 30 40 GJEB C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccc(F)cc1 3406233 YJTVKGPITJJNNF-UHFFFAOYSA-N 397.475 4.774 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3F)c2C#N)C1 4070195 IPSRPFNIQNOYIT-SECBINFHSA-N 393.281 4.898 30 40 GJEB Cc1ccc(N/N=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 4175526 GFFBRGIJTZTOLF-QJOMJCCJSA-N 377.429 4.675 30 40 GJEB Cc1cc(-n2c(C)cc(C(=O)CSc3nc(C)c(C)c(C)c3C#N)c2C)no1 5226456 BMNTWZGRISSLMM-UHFFFAOYSA-N 394.500 4.558 30 40 GJEB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2cccs2)cc1 12925922 WFIGVOHPHITTNY-IIBYNOLFSA-N 376.481 4.601 30 40 GJEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cccc2ccccc12 19959807 LXSNQWVYAFEUPA-BBATYDOGSA-N 398.388 4.718 30 40 GJEB COc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1OC 59461338 CWZLGWIGNVBLLO-YWNAFCPWSA-N 382.441 4.894 30 40 GJEB CC(C)c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59678582 LCQJTJLFJHFMFA-UDWIEESQSA-N 377.282 4.753 30 40 GJEB C=CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225684009 MKYRESQOXWXNSW-LJQANCHMSA-N 398.528 4.849 30 40 GJEB COC(=O)c1ccccc1/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408961045 QHFSUKOHPKQRGR-OYKKKHCWSA-N 389.407 4.501 30 40 GJEB Cc1ccc(NC(=O)CO/N=C\c2ccccc2OCc2ccc(F)cc2)cc1 409374987 CPDRUSXYPRJIOX-QFEZKATASA-N 392.430 4.702 30 40 GJEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C(C)=O)c2)C1=O 5371420 CKBKQDHZWBJPAA-UYRXBGFRSA-N 395.505 4.860 30 40 GJEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 8073603 SAKVHGQQCSHTCA-UHFFFAOYSA-N 378.472 4.520 30 40 GJEB Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C)c(C)c3)C(=O)N2C)cc1C 8815993 UKSRJSUJNJCYRC-RSTPCFTMSA-N 395.528 4.510 30 40 GJEB O=C(/N=C1\c2ccccc2CN1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 12524079 RDGKNCJYINSHFQ-BSYVCWPDSA-N 391.814 4.855 30 40 GJEB N#Cc1c(NC(=O)NC2CCCCC2)sc2c1CCN(Cc1ccccc1)C2 14162807 BRNJKGYORMULAK-UHFFFAOYSA-N 394.544 4.632 30 40 GJEB COc1cc(C#N)ccc1OCc1csc(COc2ccc(Cl)cc2)n1 14773369 FWMWAHDUKNCAMZ-UHFFFAOYSA-N 386.860 4.835 30 40 GJEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 17180904 QAYDGLVIHSWMJY-OFYULWLWSA-N 381.431 4.869 30 40 GJEB Cc1ccc(-c2c[n+](CC(=O)c3ccc(Cl)cc3Cl)c3n2CCC3)cc1 17206850 DUTREKSNDQFLOX-UHFFFAOYSA-N 386.302 4.887 30 40 GJEB COc1ccccc1CN/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 20762149 LRRIDLKKTJQCFJ-LQKURTRISA-N 394.478 4.694 30 40 GJEB Cc1cccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1C 59109370 BGNNNKQLPZPSPH-UHFFFAOYSA-N 382.261 4.531 30 40 GJEB CCN1C(=O)/C(=C/c2cn(CC#N)c3ccccc23)SC1=Nc1ccccc1 409382413 LXFBYTKYWXINJC-OMSSWJLUSA-N 386.480 4.789 30 40 GJEB C=CCNC(=O)[C@@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1 7201768 BPUVAMPFOOIQIZ-OAHLLOKOSA-N 378.497 4.693 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cn(C)nc3C)C[C@@H]12 17079759 GMZISXRHSBJUQJ-ZSRRLWSPSA-N 390.527 4.856 30 40 GJEB CCOc1ccc(-n2c(C)cc(/C=N/NCc3ccccc3OC)c2C)cc1 20762629 CGXBSBVEBGYYBY-PCLIKHOPSA-N 377.488 4.625 30 40 GJEB N#CC(CCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 54956629 VIFMNVDJPVBVHB-UHFFFAOYSA-N 381.523 4.709 30 40 GJEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3ccccc3SC)c2=O)cc1 101591192 QBPCYCKFCGYZNV-CIAFOILYSA-N 397.525 4.636 30 40 GJEB C=CCOc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 225288881 RMXVERQCWFDQEA-UHFFFAOYSA-N 378.950 4.984 30 40 GJEB COc1cc(C)c(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)cc1OC 408548962 OHVLSSZJVFLJPZ-ODLFYWEKSA-N 382.485 4.521 30 40 GJEB O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc(C(F)(F)F)c1 1527543526 JRKIQCYJCBIVLT-UHFFFAOYSA-N 383.238 4.932 30 40 GJEB CCO[P@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(Br)cc1 2320468 FDZBNGFRCJXPSR-VGOFRKELSA-N 379.190 4.764 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(C)cc2C)nc2cc(Cl)ccc2c1=O 3451430 HWDIBZXNRZNLHK-UHFFFAOYSA-N 398.915 4.828 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1 6007466 QOZARJBHPKYIKD-QGOAFFKASA-N 383.494 4.666 30 40 GJEB CCOC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2C)cc1 12581189 CYOHBDUCHBFSTD-WNAAXNPUSA-N 398.462 4.779 30 40 GJEB COc1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)c(OC)c1 13941008 RKYBAESJLBUUON-XKZIYDEJSA-N 396.516 4.805 30 40 GJEB S=C(N/N=C/c1ccc(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2 16919443 YWXGSNLDLKUHIP-UFFVCSGVSA-N 382.360 4.760 30 40 GJEB CCOc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 16995471 UJZRQRRYMUWIKS-GOSISDBHSA-N 375.492 4.540 30 40 GJEB C=CCO/N=C1\C[C@H](C[C@@H](C)SCC)CC(=O)[C@@H]1/C(CCC)=N/OCC 19204937 WIZFOFCVSLIKJU-HPUNLUIKSA-N 382.570 4.865 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)C)cc1 19901586 DTJZUQNFZWKBNY-NRFANRHFSA-N 381.516 4.977 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C)nc2c1 35290823 ZBNJBXMQZCODKV-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB F[C@@H](C(F)(F)F)C(F)(F)OCCC(F)(F)C(F)(F)Br 103539006 GAFKOAFTXDELSA-VKHMYHEASA-N 375.000 4.509 30 40 GJEB COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(Cl)cc1Cl 103863925 PHOLCMJDRHNUPV-VIZOYTHASA-N 392.238 4.897 30 40 GJEB C=CCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 219805831 NMVPDZQNBZXVJA-UHFFFAOYSA-N 387.526 4.944 30 40 GJEB C=CCOc1ccc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 408975160 IOEHSURGMAUCGJ-KRWDZBQOSA-N 395.509 4.687 30 40 GJEB COc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1O[C@@H](C)C(=O)O 409013011 LYJHKZQFUNOUBD-WTJYETQFSA-N 375.424 4.965 30 40 GJEB COc1ccccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409302609 JRCDJFZXGXUEGS-UHFFFAOYSA-N 395.418 4.701 30 40 GJEB C=C(C)C(=O)Nc1ccc(O)c(-c2nc3ccc(NC(=O)C(=C)C)cc3s2)c1 711511 ONJSRTQPNKTAPW-UHFFFAOYSA-N 393.468 4.698 30 40 GJEB CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 939900 WNOZQNMGKPSGEQ-PKNBQFBNSA-N 382.485 4.558 30 40 GJEB N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F 1331003 MCYVDPFKKWGXGW-UHFFFAOYSA-N 387.386 4.856 30 40 GJEB Cc1ccc(Oc2cc(C#N)c3ccccc3n2)c(-n2nc3ccccc3n2)c1 2248654 MUDOFSZHSMXPAC-UHFFFAOYSA-N 377.407 4.941 30 40 GJEB Cc1ccc(S(=O)(=O)O/N=C2\C[C@H](c3ccccc3)Oc3ccccc32)cc1 4758180 UKUZCBKMKVMPIF-IAMBOQNYSA-N 393.464 4.628 30 40 GJEB N#C[C@H](C(=O)CSc1nc2ccccc2n1-c1ccccc1)c1ccccc1 5903444 YHRIMDSXILJZPX-IBGZPJMESA-N 383.476 4.994 30 40 GJEB C=CCSc1nnc(NC(=O)c2oc3ccccc3c2CSC)s1 6788237 RITWSTMGHFNRDO-UHFFFAOYSA-N 377.516 4.678 30 40 GJEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(OCC)cc3)NC2=O)cc1 6870417 ANZLNWIQIBSDCJ-RGEXLXHISA-N 380.469 4.542 30 40 GJEB C=CCSc1nnc2n(-c3ccc([C@H](C)CC)cc3)c(=O)c3ccccc3n12 11396251 VGIHEFQTHAWSRQ-OAHLLOKOSA-N 390.512 4.825 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 20068921 IWJLAKGCKMIQHG-XXBNENTESA-N 387.479 4.611 30 40 GJEB N#Cc1ccc(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 24866018 LEPCUWCYSJDTAG-UHFFFAOYSA-N 384.313 4.984 30 40 GJEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 102801035 WVUMMXVPFRBGTG-MRJHHRETSA-N 387.410 4.760 30 40 GJEB S=C(N/N=C/c1cccc2ccccc12)N/N=C/c1cccc2ccccc12 1682144 WWMNVWJYHCDQIV-FEZYOMQXSA-N 382.492 4.825 30 40 GJEB O=c1[nH]c2ccccc2cc1/C=N/Nc1nc(-c2ccccc2)c2ccccc2n1 5022604 AVDXSIKDEJGZOF-MFKUBSTISA-N 391.434 4.584 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(Cl)cc1Cl 12347735 IYVGOIPZPWLNMZ-ZDUSSCGKSA-N 378.259 4.623 30 40 GJEB COc1cc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)ccc1OC(F)F 58391754 DGOPYTXDQMUGEE-AATRIKPKSA-N 378.400 4.519 30 40 GJEB Cc1c(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cnn1C 239611787 FEOGWSYHLNRMLI-FTZCUVFLSA-N 396.575 4.695 30 40 GJEB COc1cccc(Oc2ccc(/N=C\c3cc4c(cc3OC)OCO4)cc2)c1 409103264 GFJZTJZZNJQYGU-QRVIBDJDSA-N 377.396 4.975 30 40 GJEB C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 4117108 QJPIVVWFQDOUMI-ZAXZPUGQSA-N 397.435 4.574 30 40 GJEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc2ccccc12 17185571 ORBUKTPGBJUSAT-CFRMEGHHSA-N 385.427 4.997 30 40 GJEB CN(C)[C@@H](CNc1oc(-c2cccnc2)nc1C#N)c1ccc(C(C)(C)C)cc1 35672479 NFMZGXURXRYRMV-FQEVSTJZSA-N 389.503 4.621 30 40 GJEB C=CCN(Cc1ccc(Cl)s1)C(=O)CCC(=O)N[C@H](C)c1ccccc1 89905519 FRGYSMOXCFSTHF-OAHLLOKOSA-N 390.936 4.574 30 40 GJEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O 223493312 YRSKALVUHOXKDD-UNOMPAQXSA-N 380.513 4.766 30 40 GJEB C=CCSc1ccccc1C(=O)NCc1cccc(CN2CCCCC2)c1 224687400 FBHYIARSHFMPKM-UHFFFAOYSA-N 380.557 4.881 30 40 GJEB CCOc1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)cc(Cl)c1O 408974185 DDAZCOLTKRWBTJ-RREIPUBJSA-N 380.700 4.586 30 40 GJEB Cc1ccc(NC(=O)COc2cccc(/C=N\OCc3ccccc3)c2)cc1C 409010815 LQHWMGKNUKKBIN-MYYYXRDXSA-N 388.467 4.872 30 40 GJEB COc1cc(OC)cc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)c1 409054335 VAKPCXQSAWDXQK-QOCHGBHMSA-N 381.453 4.569 30 40 GJEB COc1cccc(/C=N/c2cccc(F)c2)c1OCc1ccc(C(=O)O)cc1 409185043 QLOFVQAPRXTOIS-ZMOGYAJESA-N 379.387 4.862 30 40 GJEB CCCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccccc2)cc1OCC 409369923 HSCIVBMGRXVPPN-XKZIYDEJSA-N 390.867 4.517 30 40 GJEB C=CCn1c(SCc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)cc1=O 1403050 CBBCOVRKFRTUNH-UHFFFAOYSA-N 394.340 4.759 30 40 GJEB C[C@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 4940649 MUXARSJULIEDTL-JKLGJUPNSA-N 391.471 4.833 30 40 GJEB CCCCCCCC(=O)OC(C[N+]1(C)CCCCC1)C[N+]1(C)CCCCC1 100757726 MAKNKUOLEXNZCY-UHFFFAOYSA-N 382.633 4.520 30 40 GJEB CCOc1cc(/C=N/O)cc(Br)c1OCc1cccc(Cl)c1 103856167 RZBADJFSVPIQIU-DJKKODMXSA-N 384.657 4.888 30 40 GJEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1Cl 409282150 GGFJCAATGGLUMN-UHFFFAOYSA-N 395.890 4.988 30 40 GJEB COc1ccc(Cl)cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409406755 YQQQPOBSCGGNCR-UHFFFAOYSA-N 389.842 4.608 30 40 GJEB C=C(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 5746270 ALVRCLGXAACRDU-UHFFFAOYSA-N 380.307 4.529 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1O 6478657 VLPBPEOSFMDNEM-UNOMPAQXSA-N 395.480 4.674 30 40 GJEB N#C[C@]1(C(=O)c2ccc(Cl)cc2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 7141370 JORXUJWEMVJDEU-TZIWHRDSSA-N 395.846 4.556 30 40 GJEB COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1[N+](=O)[O-] 18137719 ZPEWVCLBLXZORI-RTPYTOBHSA-N 397.456 4.616 30 40 GJEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccccc3Cl)N(C)C)o2)cc1 27991296 SODOUIVBOHVPQK-IBGZPJMESA-N 380.879 4.890 30 40 GJEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@@H]12 36614436 ODAGNZWITYICME-RCPJBBGLSA-N 376.500 4.547 30 40 GJEB CC/N=C1/S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C(=O)N1CC 408930985 FUCCFYHWUISPLF-XATRHVNRSA-N 396.512 4.586 30 40 GJEB C[C@H]1CCc2c(sc(/N=C/c3cc(Br)ccc3O)c2C#N)C1 799893 DVUARISVEFRCNJ-YPZZKDGISA-N 375.291 4.963 30 40 GJEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O 2340957 LXUPXRDFYSTHDO-MJHJUBQXSA-N 379.529 4.938 30 40 GJEB CN(C)/C=N/C(=S)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 3133250 HNKXEUPWGWKMFS-LOLZCCBGSA-N 385.842 4.803 30 40 GJEB CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4066569 DLUOUQLTHJETKH-OAQYLSRUSA-N 381.516 4.805 30 40 GJEB CC1=C[C@H](c2ccc(Cl)cc2)N2N=C(/N=C(O)/C=C/c3ccccc3)NC2=N1 4548658 LJUXYCVYMFAEJM-VWGXWWAPSA-N 391.862 4.501 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(C(=O)OCC)cc2)S/C1=N/c1ccccc1 5864422 USMPGVRSPKGNMC-WYXKWXERSA-N 394.496 4.877 30 40 GJEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1cccc(Cl)c1 6743925 LHOQRQPMCOAKKD-UHFFFAOYSA-N 382.851 4.919 30 40 GJEB CC[C@@H](CNC(=O)[C@H](C)Sc1nc(C)c(C)c(C)c1C#N)c1ccccc1 7223809 HNOIZMXJHUZGGS-ROUUACIJSA-N 381.545 4.669 30 40 GJEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1c(-c2ccccc2)nc2sccn12 9467760 NJTFJJIDGUIDIN-FQEVSTJZSA-N 386.480 4.815 30 40 GJEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)c1 11869323 CVRZVTOAXNKMFM-UNOMPAQXSA-N 378.405 4.592 30 40 GJEB CC1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 13407800 WATOJXAPBDFTQJ-PWDIZTEBSA-N 378.384 4.969 30 40 GJEB C=CCn1c(SCc2nc(CC)no2)nnc1-c1ccc(Cl)cc1Cl 24838867 AHTYHCVGVOEVDA-UHFFFAOYSA-N 396.303 4.676 30 40 GJEB N#Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 40138962 JEQFUZZGTSJZRQ-OAQYLSRUSA-N 381.439 4.540 30 40 GJEB OC[C@@]1(C#Cc2ccc(Cl)cc2)COc2ccccc2N1Cc1ccccc1 306145834 RWHKSOGWJXKZPV-DEOSSOPVSA-N 389.882 4.522 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2OC)n1CC 408560684 NLRPJUVRLITJIA-UHFFFAOYSA-N 390.553 4.550 30 40 GJEB C[C@H](NC(=O)COc1ccc(/C=N\c2ccccc2F)cc1)c1ccccc1 408799764 KVCXMNQDFUEODN-HAWKZNDISA-N 376.431 4.833 30 40 GJEB CCN(CC)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 409098185 ODMSWRYTXFIRHJ-YBFXNURJSA-N 392.253 4.660 30 40 GJEB Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H](c4nncn4C(C)C)C3)c2c1 619792629 HQGNZJWTJVQPAW-HNNXBMFYSA-N 394.910 4.625 30 40 GJEB CCN(CC)c1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)cc1 2318296 SVAINSYTTPFKCC-BKUYFWCQSA-N 385.924 4.616 30 40 GJEB COc1ccc(C2=NN([C@@H](C#N)c3ccccc3O)[C@H](c3ccccc3)C2)cc1 4178203 BCIUBXDTQNXTMB-GOTSBHOMSA-N 383.451 4.817 30 40 GJEB O=C(Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Cl 4737354 IXPJBCSDQWKJDN-LPYMAVHISA-N 395.802 4.913 30 40 GJEB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@H](c3ccc(Cl)cc3)CC1=O)N2 8559230 HYCQDGXYOKQCBJ-HRAATJIYSA-N 390.874 4.656 30 40 GJEB O=C1/C(=C/c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N2CCC1CC2 39316342 VDOGNYVDMSOXBR-MOSHPQCFSA-N 387.401 4.920 30 40 GJEB CCCCOc1ccc(C(=O)/C=C/Nc2ccc(N3CCOCC3)cc2)cc1 44843347 IQBHASPBMJIEBR-OUKQBFOZSA-N 380.488 4.511 30 40 GJEB CC(=O)N(c1ccc(C)cc1)c1nc(C=C2C(=O)c3ccccc3C2=O)cs1 54895387 KQHQBXMWSZCHHR-UHFFFAOYSA-N 388.448 4.599 30 40 GJEB O=[N+]([O-])c1cc(/C=N/c2ccc(I)cc2)ccc1Cl 96429702 OLTCIDPOIGROBS-LZYBPNLTSA-N 386.576 4.603 30 40 GJEB C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224621427 IIJOKKCCLIXBAX-UHFFFAOYSA-N 390.263 4.522 30 40 GJEB C=CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225688108 SXUXHTUNUROFES-IBGZPJMESA-N 398.528 4.849 30 40 GJEB C/N=C1/S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)N1C 408930443 XDPVUBVQKOTZGU-SRWYGHAPSA-N 393.487 4.669 30 40 GJEB CCCN1C(=O)[C@H](Cc2ccccc2OC)S/C1=N/c1ccc(OCC)cc1 409144125 JOZXCGCJTXVECN-UTTYWZDOSA-N 398.528 4.678 30 40 GJEB N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 505922757 LHPFBIWZTLVPBQ-JKDFXYPNSA-N 381.209 4.756 30 40 GJEB N#CCSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 3449926 VJTBEIRLWUFHHU-UHFFFAOYSA-N 381.507 4.791 30 40 GJEB CCOC(=O)c1sc(N/N=C/c2ccc(OCc3ccccc3)cc2)nc1C 3961740 OABMALOYHIHSOE-LPYMAVHISA-N 395.484 4.653 30 40 GJEB CCCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 4664492 KKKKIVASUWCYSU-LTQOCESHSA-N 380.469 4.789 30 40 GJEB C=CCn1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 6707554 ZYVQIEILZFGYIH-XDHOZWIPSA-N 391.858 4.574 30 40 GJEB N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl 12844719 KJNQNQKYQXKXKI-UHFFFAOYSA-N 395.189 4.685 30 40 GJEB CCOc1cc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)ccc1O 59461357 RDMSHAIEGUOXED-TYJLCGHTSA-N 382.441 4.981 30 40 GJEB COc1cc(C)cc2c(C)c(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)oc12 72310871 VQRCURCQCZCJCS-AWEZNQCLSA-N 388.345 4.962 30 40 GJEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2F)c1 102801982 ZFMLLOQIIQSNPX-MRJHHRETSA-N 387.410 4.760 30 40 GJEB N#Cc1c(-c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c2c([nH]c1=N)CCCC2 408807359 CAPJHWTWAAWASG-UHFFFAOYSA-N 393.830 4.523 30 40 GJEB CCCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC 409039107 WIBDUFQYLYYAPO-AQHIEDMUSA-N 390.299 4.588 30 40 GJEB Oc1c(Cl)cc(Br)cc1/C=N\Nc1ccc(C(F)(F)F)cn1 409095959 BYVPQZNKLSJRNE-SDPNRITHSA-N 394.578 4.668 30 40 GJEB CC(C)NC(=O)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N 662292 TYXYCAUMBUKKCG-UHFFFAOYSA-N 393.537 4.965 30 40 GJEB C#CCSc1nsc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 4898409 CQDWMJMGJXRGNB-UHFFFAOYSA-N 392.815 4.580 30 40 GJEB O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(-c2ccc(C(=O)O)o2)cc1 7910844 XKAMBHLEZGIDQH-IZZDOVSWSA-N 384.391 4.727 30 40 GJEB C=C1[C@@H](C(=O)Nc2c(C)cc(C)cc2C)[C@H]1C(=O)Nc1c(C)cc(C)cc1C 13302778 RBQJDAGSUGREBE-BGYRXZFFSA-N 376.500 4.917 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccccc1 16737265 MWZHOPVKWRLLNZ-NRFANRHFSA-N 391.467 4.548 30 40 GJEB Cc1c(Cl)cccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(Cl)cc21 223738363 VLYUKOHHNGSXOT-XLNRJJMWSA-N 392.311 4.580 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccc(C)cc1 408912744 LPZSTQXWGXYGLO-DLTWUOELSA-N 380.469 4.707 30 40 GJEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1C 409283320 PFHHCKRYYZVHRE-UHFFFAOYSA-N 375.472 4.643 30 40 GJEB COc1cccc([C@@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CCC3)c1OC 4944890 IWBMBJXNZOLLJT-KRWDZBQOSA-N 391.467 4.540 30 40 GJEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5186590 JZXAESKBKJKTKB-HLGUWXJESA-N 393.222 4.550 30 40 GJEB C[C@@H]1CN(C(=S)NCc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 6542772 YSIHLMCXYRILKL-HZWATPOSSA-N 375.950 4.840 30 40 GJEB C=CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 6628226 JCRVZQLERSKGMF-UHFFFAOYSA-N 398.576 4.752 30 40 GJEB Cc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc4c(c3)OCO4)c2)cc1 6647444 VPCHZITULAFDBC-YRNVUSSQSA-N 385.419 4.872 30 40 GJEB C=CCSc1ccccc1NS(=O)(=O)c1ccccc1Br 7709672 KZALVFWCSMYEOR-UHFFFAOYSA-N 384.320 4.528 30 40 GJEB C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 7977495 SMRUFAWYIIHZLF-UHFFFAOYSA-N 393.487 4.729 30 40 GJEB C=CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 8049409 JRHUTSDPYWTOKN-UHFFFAOYSA-N 385.485 4.621 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)C)cc1 19901584 DTJZUQNFZWKBNY-OAQYLSRUSA-N 381.516 4.977 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1CC 59104452 UISRSGPSXYDINC-QFGKFHJGSA-N 384.476 4.717 30 40 GJEB CCCCC(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F 98049055 HYQYHUBDZSFGCJ-UHFFFAOYSA-N 378.263 4.504 30 40 GJEB C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2120151 FCWYNTDTQPCVPG-ZGDJDIHISA-N 382.500 4.941 30 40 GJEB biogenic CCOC(=O)c1ccc(/N=C/c2[nH]c(C)c(C(=O)OC)c2-c2ccccc2)cc1 2285930 IKYAKRZPBHNRMX-ZVHZXABRSA-N 390.439 4.704 30 40 GJEB CCc1c(C)sc(NC(=O)c2noc3c2CCc2cc(OC)ccc2-3)c1C#N 2466075 XDBSOTKTFNPRBP-UHFFFAOYSA-N 393.468 4.505 30 40 GJEB O=c1c2ccccc2nc(/C=C\c2ccccc2F)n1/N=C/c1ccccc1F 4828966 PGUOFXVWLQJPDP-SQYSAAGGSA-N 387.389 4.727 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccc(O)cc1 5376346 JACPODVLCYTIRB-AUWJEWJLSA-N 398.793 4.956 30 40 GJEB COc1cc(/C=N/c2ccc(/N=C/c3ccc(O)c(OC)c3)cc2)ccc1O 16196012 IGWHEIWVYHFRDR-RNIAWFEPSA-N 376.412 4.616 30 40 GJEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 33926738 QZJWZRNVPPHSPH-JAIQZWGSSA-N 394.412 4.919 30 40 GJEB CCOc1cc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)ccc1O 59461359 RDMSHAIEGUOXED-WQQBQYIPSA-N 382.441 4.981 30 40 GJEB N#Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1 72275408 WOCZGCOLBSPABX-UHFFFAOYSA-N 397.887 4.625 30 40 GJEB F[C@H]1O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100483889 ULIPEIAHXQESPD-LWMBPPNESA-N 398.065 4.717 30 40 GJEB N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408595578 XKUOHZYZTJGDLH-SSDVNMTOSA-N 381.775 4.931 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3)c2C)cc1 408744071 WFFTXVLMFIMUHW-LPYMAVHISA-N 377.400 4.540 30 40 GJEB COC(=O)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 1440575 VGKOCTXCVXOCNH-NRFANRHFSA-N 384.435 4.586 30 40 GJEB O=C(CCCc1c[nH]c2ccccc12)N1CCS/C1=N\Cc1ccccc1 3324140 MBSROZPXMISKDH-GYHWCHFESA-N 377.513 4.622 30 40 GJEB N#Cc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1 4070182 OSMBWPKSPBNXGW-UHFFFAOYSA-N 390.287 4.758 30 40 GJEB C=CCn1ncc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)c1C 19216539 LVBASNODUQRSIP-UHFFFAOYSA-N 384.568 4.590 30 40 GJEB Cc1n[nH]c(NC=C2C(=O)CC(c3ccco3)CC2=O)c1-c1ccc(Cl)cc1 100125642 RMGOXZWPXLSCSF-UHFFFAOYSA-N 395.846 4.643 30 40 GJEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225037368 YWHSRWBLBYDXOI-UHFFFAOYSA-N 394.452 4.643 30 40 GJEB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(Cl)cc1Cl 408736716 GAPVVYYKJQOZQD-ZICLHRSZSA-N 375.255 4.678 30 40 GJEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 408867414 JVMVPBRFTRSDHA-PDGQHHTCSA-N 383.856 4.589 30 40 GJEB COc1cc(/C=N/c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409211530 OBJDSGWUSOMWKU-PXLXIMEGSA-N 381.453 4.522 30 40 GJEB COc1cccc(-c2nc3cc(/N=C/c4cc(C(=O)O)ccc4O)ccc3o2)c1 1425117 ZPGPUFIPXTUXTM-FSJBWODESA-N 388.379 4.658 30 40 GJEB Brc1ccc2[nH]cc(/C=N/c3ccc(N4CCOCC4)cc3)c2c1 3388130 XJDRWWQVGYVIOH-CIAFOILYSA-N 384.277 4.518 30 40 GJEB C/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1ccc2c(c1)OCO2 46085364 QMKAVCNXWHBUAF-CVKSISIWSA-N 382.423 4.862 30 40 GJEB COc1ccc([C@@H]2CCCCCN2[C@H](C)C(=O)Nc2sccc2C#N)cc1 104109104 BEVUJTQTVZTCHY-BEFAXECRSA-N 383.517 4.573 30 40 GJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3c(OC)ccc4ccccc34)C2=O)s1 137891373 DHXMWEODZIYJEE-AIUYMRRNSA-N 395.509 4.680 30 40 GJEB CCN1c2cc(C)c(/C=N/Nc3ncccc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C 208321723 OOAGHCUCWFISJD-LJGKHRNASA-N 381.480 4.856 30 40 GJEB CCOC(=O)c1cccc(/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408959913 AFVMDEPRJGOAHA-QRVIBDJDSA-N 377.396 4.881 30 40 GJEB N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1 11263464 LOAWJTMUJKNFLB-UHFFFAOYSA-N 380.498 4.549 30 40 GJEB Cc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C[C@H]2CCCO2)cc1C 16656102 QXYNHXALMSKQAY-GOSISDBHSA-N 397.544 4.503 30 40 GJEB Clc1ccccc1CN1CCN(/N=C\c2cccc(Cl)c2Cl)CC1 19419389 LRXTUODYFGSZOW-UUYOSTAYSA-N 382.722 4.799 30 40 GJEB C=CCn1c(SCc2cccs2)nnc(Nc2ccc(Cl)cc2)c1=O 28538705 GFTJSXYPMHNJQW-UHFFFAOYSA-N 390.921 4.575 30 40 GJEB C=CCNc1nc(CSc2nc3ccccc3s2)c(C(=O)OCC)s1 36612085 SCAABDSONVIKBR-UHFFFAOYSA-N 391.543 4.820 30 40 GJEB C=CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc3c(cc21)OCO3 101035444 LPGGMQAIUTYICO-FCQUAONHSA-N 388.448 4.512 30 40 GJEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](/C(C)=N/O)[C@@]4(C)CC(=O)[C@@H]32)C1 118915911 BSLCVENCLGLBCE-IHFKLIIMSA-N 389.536 4.606 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C#N 225760521 NIMJHLITBBHNAD-UHFFFAOYSA-N 376.456 4.633 30 40 GJEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3nc4ccccc4n3C)c2C)cc1 408651648 HABFYAIXYJNVNK-BUVRLJJBSA-N 387.487 4.826 30 40 GJEB CCOc1ccccc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409296308 QMIWRLKGPJCFQM-UHFFFAOYSA-N 375.472 4.725 30 40 GJEB O=C1CSC(=S)N1/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 409340373 VYFJOIRAYDGVPD-WSDLNYQXSA-N 392.505 4.613 30 40 GJEB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C#N)C1 2750840 KRLNZHXRCLTNAY-JTQLQIEISA-N 389.864 4.949 30 40 GJEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(CCc2cccs2)c1C 5198609 UBLYYNUZKFZCKF-UHFFFAOYSA-N 394.496 4.551 30 40 GJEB CCSc1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 10252455 CISCDXLXQYUGIR-UHFFFAOYSA-N 379.510 4.975 30 40 GJEB COc1cc(C)c(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc1OC 108049878 KZDQSVPNCFCACW-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB COc1cc(C#N)cc(Br)c1OCc1cccc(Br)c1 226326001 BQTISMURQUOZOE-UHFFFAOYSA-N 397.066 4.671 30 40 GJEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CC[C@H](/C(C)=N/O)[C@@]4(C)CC(=O)[C@H]32)C1 253497790 BSLCVENCLGLBCE-AVGXAEFESA-N 389.536 4.606 30 40 GJEB COc1ccc2ccc(OC)c(/C=N/Nc3ccc(C(F)(F)F)cn3)c2c1 409074572 NARSODZEHGXBAW-BHGWPJFGSA-N 375.350 4.717 30 40 GJEB C=CCc1cc(/C=C2\SC(=S)N(CC=C)C2=O)cc(OCC)c1OCC 409348765 PJOFKRSBFLBQTL-LGMDPLHJSA-N 389.542 4.600 30 40 GJEB C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccccc1 623099 NPANCXYIUYGRMM-UHFFFAOYSA-N 392.528 4.665 30 40 GJEB CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C#N)C1 2741443 DXIPBYRKAGYIMS-JTQLQIEISA-N 389.864 4.949 30 40 GJEB C=C1C[C@@H]2[C@@H]3CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 4026393 WJFDQNDYQVFWKP-CXLHLXOLSA-N 396.527 4.741 30 40 GJEB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)C=C(/C=C/c2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1 5446670 ZDGOXDDEKRMVBJ-NJPUHTLHSA-N 389.495 4.628 30 40 GJEB C=CCOc1ccc([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCC2)cc1 5789341 DEPCAVXQAMQFAQ-GOSISDBHSA-N 385.489 4.693 30 40 GJEB C[C@H]1C[C@H](C)CCN1c1ccc([N+](=O)[O-])cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 15188147 QJPIVVWFQDOUMI-ZMMWMTRVSA-N 397.435 4.574 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccccc1 16737262 MWZHOPVKWRLLNZ-OAQYLSRUSA-N 391.467 4.548 30 40 GJEB COc1cc(/C=N\Nc2nc3ccccc3s2)cc(Br)c1OC 35252500 JJTPIJAEXNZJCQ-NVMNQCDNSA-N 392.278 4.522 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(NC(C)=O)cc3)c2C)cc1 408741483 JFILHLBJRBCFDI-ZVHZXABRSA-N 389.455 4.590 30 40 GJEB COc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409046892 LGGQWGAFMSJLRY-IPBDZQFASA-N 387.082 4.716 30 40 GJEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc2ccccc2c1 409095710 IHDVSQYUVFLJPW-ZVHZXABRSA-N 385.427 4.997 30 40 GJEB Cc1ccc(Cn2cc(/C=N/Nc3ncccc3[N+](=O)[O-])c3ccccc32)cc1 409101030 ORBHQVXJCHVPJD-ZMOGYAJESA-N 385.427 4.747 30 40 GJEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 5959318 NQQAKKHWCCOCMO-QRVIBDJDSA-N 386.403 4.573 30 40 GJEB biogenic CCOc1cc(C#N)cc(Br)c1OC(=O)c1cc2ccccc2o1 6581064 GOQWVWURJIRWKB-UHFFFAOYSA-N 386.201 4.685 30 40 GJEB COc1cccc2cc(-c3csc(NC(=O)c4ccc(C#N)cc4)n3)oc12 16960799 DGJHRKPFSMRDSU-UHFFFAOYSA-N 375.409 4.689 30 40 GJEB CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 33912636 STGSZDVITJLBGA-IIGRLWHBSA-N 395.528 4.638 30 40 GJEB Fc1ccc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)cc1 252483643 FGJAHJLDMGRVLB-GZIVZEMBSA-N 384.333 4.948 30 40 GJEB Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccco2)c(C)c1 408722583 LFSYMVVQNXBZAA-QOCHGBHMSA-N 378.384 4.608 30 40 GJEB CC(=O)[C@@]12CCCC[C@H]1C[C@@H]1[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]12C 4027540 ZNSPUNVBZGKQFL-QVHDRMOFSA-N 386.576 4.897 30 40 GJEB biogenic C[C@H]1CCc2sc(NC(=O)c3ccc(Br)s3)c(C#N)c2C1 4070210 ZFPSQCIIBOMBMJ-QMMMGPOBSA-N 381.320 4.821 30 40 GJEB CN(C)c1ccc(/C=N/Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1 4713108 ATGSWCPBOODZMO-ZMOGYAJESA-N 385.393 4.674 30 40 GJEB Cc1cc(Cl)c(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6275711 AXWFXQSAFFALLP-BHGWPJFGSA-N 398.812 4.960 30 40 GJEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2CN1CCCC1 7389687 IPDLBXGQPITRDE-NVMNQCDNSA-N 390.266 4.911 30 40 GJEB Cc1cc(C)cc(OCC(=O)N2CCCS/C2=N\c2cc(C)ccc2C)c1 12540584 AEOPLPQTGRSNDB-FCQUAONHSA-N 382.529 4.952 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 100439865 PCJUZTAKFXOWQL-YDJIHCHBSA-N 389.838 4.966 30 40 GJEB COc1ccc([C@H]2CCCC/C2=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 104072542 RUVQVERNARCLQB-SBCIHWNMSA-N 384.392 4.637 30 40 GJEB C=CCc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1O 408741182 HGZWUXIMYAIXOB-LFIBNONCSA-N 383.241 4.865 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)S2)cc1 408741874 OFUYRDWZAOIENP-HKWRFOASSA-N 395.528 4.823 30 40 GJEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)SC1=S 408820864 ZXTZEKKVKIKOIN-UYRXBGFRSA-N 398.553 4.880 30 40 GJEB O=C(C1=CN(c2ccc(F)c(F)c2)c2ccccc2S1(=O)=O)c1ccccc1 32984128 ASYCAFDFMZSDET-UHFFFAOYSA-N 397.402 4.615 30 40 GJEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OCC)cc1 224589021 RREARBBRVWDHME-UHFFFAOYSA-N 386.300 4.773 30 40 GJEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC 409058945 PMOHUXSMTDUOAV-PDGQHHTCSA-N 399.855 4.602 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1 1808496 KFEXYJNVWHPLFC-PDGQHHTCSA-N 383.494 4.666 30 40 GJEB CCCCC(=O)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(C)cc21 3064310 MKFJXBZCEIWFNC-ATJXCDBQSA-N 384.863 4.633 30 40 GJEB C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 3947422 FCWYNTDTQPCVPG-HWXYTADMSA-N 382.500 4.941 30 40 GJEB biogenic,in-man C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)CC1=O 4385993 YYDPMXSIBDYZQS-IBGZPJMESA-N 387.527 4.884 30 40 GJEB CCc1ccc2nc(SCC(=O)Nc3cccc(C(C)=O)c3)c(C#N)cc2c1 4848960 ZKBOXONBJGRWOY-UHFFFAOYSA-N 389.480 4.602 30 40 GJEB CSc1nc(-c2ccc([N+](=O)[O-])cc2)oc1/N=C/c1ccc([N+](=O)[O-])cc1 17005493 IFGIZMQWEWMPEX-VCHYOVAHSA-N 384.373 4.631 30 40 GJEB CC1=C[C@@H](CN(C)CCC#N)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 30882805 SCMJVHDBYPPNOP-FKBYEOEOSA-N 392.547 4.979 30 40 GJEB biogenic,in-vitro S=C(N/N=C1/CSCc2ccccc21)Nc1cc(Cl)ccc1Cl 104210020 OKPZXTHUHQGQKA-HKWRFOASSA-N 382.341 4.931 30 40 GJEB CCOc1cc(Cl)c(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OCC 408589255 DLLGSWJEJNZJIM-RGVLZGJSSA-N 378.812 4.596 30 40 GJEB CC(C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408590165 GJZXWHVFJGDYKL-VXLYETTFSA-N 393.237 4.695 30 40 GJEB N#Cc1ccccc1COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 409102101 XXQZBEICQGEWNZ-KKMKTNMSSA-N 396.372 4.997 30 40 GJEB C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@@H](/C=N/Nc3ccccc3)[C@H]1C[C@H]42 585153197 YOIXAKPYNYEUBR-FYDPQAMDSA-N 399.562 4.631 30 40 GJEB biogenic,in-vitro O=C(/C=C/c1ccc2c(c1)OCO2)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 4322318 VKKDPOUQZYMNPT-ZRDIBKRKSA-N 395.414 4.820 30 40 GJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 4544174 ZXAYWZAUZHCFJJ-HZHRSRAPSA-N 384.395 4.904 30 40 GJEB CCOc1ccc2nc3c(cc2c1)CN(CCO)/C(=N\c1cccc(C)c1)S3 4858478 IAFRTIOYEFQSGG-GHVJWSGMSA-N 393.512 4.530 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(\C)c2cccc(Br)c2)cc1 4871688 BQUNLPJYWYORJR-UDWIEESQSA-N 392.322 4.558 30 40 GJEB C=C(C)COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O 8765142 OEYDUMUKKGHWTH-LSFURLLWSA-N 375.424 4.758 30 40 GJEB biogenic Cc1c(OC(=O)c2ccco2)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9423087 COCBOVCEUWKLCE-CIAFOILYSA-N 399.402 4.915 30 40 GJEB CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccccc1 17078121 GDISADVQWLQKPL-KLPPEWMLSA-N 382.485 4.718 30 40 GJEB CN1/C(=C/C(=O)CSc2nnc(-c3ccccc3)o2)C(C)(C)c2ccccc21 103081020 RAIPELLCDDPAMS-CPNJWEJPSA-N 391.496 4.709 30 40 GJEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 408917497 VRHLBUKHSUHACI-DEDYPNTBSA-N 378.497 4.887 30 40 GJEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/Nc1nc2ccccc2[nH]1 5695653 SDZCXVYCSJCHKR-UFFVCSGVSA-N 385.258 4.810 30 40 GJEB CCOc1ccccc1NC(=O)c1c(/N=C/c2cccn2C)sc2c1CCC2 101892657 ZJWOZMIRQRIIEP-OEAKJJBVSA-N 393.512 4.977 30 40 GJEB COc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccc2)cc1 104148963 BJRIMHJDNIGTIM-MOBKVPTQSA-N 399.446 4.630 30 40 GJEB CCCCCCCCCCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 408710201 RUUVKHNYXZIRFY-UHFFFAOYSA-N 399.579 4.864 30 40 GJEB COc1ccccc1/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408803376 OEZBWGHMDDTITD-NAHYFOQLSA-N 388.467 4.702 30 40 GJEB CC(C)(C)[C@]1(C#N)C(=O)[C@@H]2[C@@H]3[C@@H](C[C@H]21)C(=O)C3(c1ccccc1)c1ccccc1 607706740 UNYWJAWKTWOICU-BHQAQYLNSA-N 383.491 4.563 30 40 GJEB CCN1C(=O)CCc2cc(Nc3c(C#N)cnc4c(Cl)cccc34)ccc21 1163025163 CHLOYFJGLIJFKU-UHFFFAOYSA-N 376.847 4.803 30 40 GJEB CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1 2410377 UBQYFBPISFOOQG-UHFFFAOYSA-N 375.428 4.852 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1 3098403 HIAKRQQEELZGMZ-NRFANRHFSA-N 397.515 4.643 30 40 GJEB C[C@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 3333144 JMTZUCBDQPSUOJ-CQSZACIVSA-N 394.525 4.834 30 40 GJEB CN(c1ccccc1)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 6397053 DYDLZGXFTGLXHG-UHFFFAOYSA-N 384.391 4.825 30 40 GJEB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCC#N)cc1)N2 8092253 OCWFWPVWWMHIHI-QINHECLXSA-N 394.858 4.855 30 40 GJEB FC(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)[C@@H](F)C(F)(F)F 138329042 JQADALFAZGYJDX-REOHCLBHSA-N 382.091 4.667 30 40 GJEB Cc1cccc(Cc2nc(SCc3ccc(Cl)cc3)nc(N)c2C#N)c1 223670566 KWFWFFWHXCULTK-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB N#Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 225910109 QGUJPVLRNBOQCM-OAHLLOKOSA-N 388.298 4.716 30 40 GJEB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(C4(C#N)CC4)cc3)cc2)n1 225913035 JGNBQSNYLSNDSM-UHFFFAOYSA-N 383.455 4.645 30 40 GJEB CCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408709014 OBCGRMKXVXWPRV-UHFFFAOYSA-N 378.822 4.774 30 40 GJEB CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(OCC)c1 409210484 JCLATCHJVRHCND-QFAYSNGYSA-N 376.522 4.573 30 40 GJEB CC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2cc3ccccc3o2)cc1 4516861 WUCLAVYVHCPPOS-UHFFFAOYSA-N 398.422 4.665 30 40 GJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 4934548 FZTCECIAKWXJDK-SFHVURJKSA-N 387.838 4.858 30 40 GJEB N#C[C@@H](C(=O)CSc1nc2ccccc2n1-c1ccccc1)c1ccccc1 5903442 YHRIMDSXILJZPX-LJQANCHMSA-N 383.476 4.994 30 40 GJEB COc1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1OC 12464401 JSYBABSHGMOFDE-XKZIYDEJSA-N 396.516 4.805 30 40 GJEB C/C(=N\c1ccc2c(c1)C(=O)[C@H]1C=CC=C[C@H]1C2=O)c1cc2ccccc2oc1=O 100359886 QNXZAMGUPFACBX-UTMDGHJCSA-N 395.414 4.671 30 40 GJEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C\C(=O)c1ccc2ccccc2c1 104238077 BWCNQUAZIJEXGE-YBEGLDIGSA-N 393.786 4.532 30 40 GJEB Cc1ccc(/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c(Br)c1 408843720 FUELZLXLSQRBBC-UWVJOHFNSA-N 382.641 4.625 30 40 GJEB C/N=C1/S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C(=O)N1C 408930342 VTWYUYJWCPISSN-SAPPFYIZSA-N 375.497 4.779 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(N4CCOCC4)o3)c2C#N)C1 409086804 RSMCMURKPUIKJF-LZCVXGSNSA-N 397.544 4.951 30 40 GJEB COc1ccccc1/C=C/C(=O)C(C(=O)c1ccccc1)=C1SCCS1 1090218 HSXWBLFGKLWHHQ-VAWYXSNFSA-N 382.506 4.852 30 40 GJEB Cc1cc(N/N=C/c2ccc(F)cc2)nc(-c2ccc(Br)cc2)n1 4713105 OZIMQOWNSYRSJB-SRZZPIQSSA-N 385.240 4.800 30 40 GJEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 5977333 OXEDXXDMNLANKS-JOCHJYFZSA-N 398.462 4.988 30 40 GJEB C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1OC 6509184 GMFXXNGDNHOJKY-RUDMXATFSA-N 392.785 4.858 30 40 GJEB COc1cccc(-n2c(SCc3ccccc3C#N)nc3ccccc3c2=O)c1 6832550 IVGYFHYPLLDFTP-UHFFFAOYSA-N 399.475 4.558 30 40 GJEB O=C(/C=C/c1ccc(Cl)cc1)NC/C(=N\Nc1ccccc1)c1ccccc1 18194105 BOMWQTOWGJMSNI-QCAGVDLISA-N 389.886 4.986 30 40 GJEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccccc1 19827866 BJNCVAZKKQZVKL-UHFFFAOYSA-N 385.467 4.669 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)nc1 34792893 RXAPUDMXRKLMAF-JJFYIABZSA-N 382.807 4.668 30 40 GJEB O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1cccc(N2CCOCC2)c1 58006781 SQNNFGVEGWODTJ-CSKARUKUSA-N 377.415 4.818 30 40 GJEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc12 100591675 CTUAJXHBZGUPNI-NRFANRHFSA-N 380.488 4.981 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(N2CCCC2)cc1 409401758 CABYLLUHJLCRJX-UHFFFAOYSA-N 394.478 4.546 30 40 GJEB C=CCNC(=O)CSc1nc(-c2cccc(C)c2)nc2ccc(CC)cc12 4895204 SVCWGWVKOLXTIM-UHFFFAOYSA-N 377.513 4.562 30 40 GJEB C=C(C)CSc1nnc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)s1 32674119 FXFAXVNCMAAEHJ-UONOGXRCSA-N 393.603 4.607 30 40 GJEB COc1ccc2c(c1)CCc1sc(/N=C/c3cccc(OC)c3OC)nc1-2 59459290 YSPJSRMXQAJKHR-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB O=[N+]([O-])c1ccccc1/C=N/CCCCCC/N=C/c1ccccc1[N+](=O)[O-] 103241367 NTVOERCQNQYSIK-YHARCJFQSA-N 382.420 4.601 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)S2)cc1 408758942 VFEZIFBNNYFHNY-MOSHPQCFSA-N 396.512 4.936 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F 2055415 QFJGNRKPVXFJLV-SFHVURJKSA-N 393.405 4.627 30 40 GJEB C=CCO/N=C(\CCC)C1=C(N(C)C(=O)c2ccccc2)CC(C)(C)CC1=O 4834583 QQAAKTNREOVOEG-HKOYGPOVSA-N 382.504 4.761 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1 4849157 ORIMLLOCUNVKHP-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB Cc1ccc(N/C(=N\OC(c2ccccc2)c2ccccc2)c2nonc2N)cc1 6814257 LCIOFNAVVLCGTR-UHFFFAOYSA-N 399.454 4.540 30 40 GJEB Cc1cc(C)c(C#N)c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1 98087234 PPDIWMJGJYLXBA-OAQYLSRUSA-N 387.508 4.720 30 40 GJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 216829737 PDJKXNCFCQFRSS-UHFFFAOYSA-N 379.239 4.761 30 40 GJEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl 408533338 YCOCEUUSLXGLOB-DHDCSXOGSA-N 379.268 4.894 30 40 GJEB Cc1ccc(C(=O)NC(Nc2ccccc2F)(C(F)(F)F)C(F)(F)F)cc1 2306141 XCIPBLVORIEEDA-UHFFFAOYSA-N 394.290 4.797 30 40 GJEB COc1ccc(/N=C/c2c(Nc3ccccc3)nc3c(C)cccn3c2=O)cc1 2476043 DADUMXCLXNDKDL-BUVRLJJBSA-N 384.439 4.506 30 40 GJEB COc1ccc(/C(C)=N\Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 4361465 XKQCHQWFGMRSRH-XKZIYDEJSA-N 383.473 4.672 30 40 GJEB O=C(O)c1ccc(N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 5163700 YRKHMMSNNIQPFI-YDZHTSKRSA-N 394.814 4.703 30 40 GJEB CO/N=C1\C[C@H](CC(C)C)Cc2nnc(-c3ccc(Br)cc3)cc21 5188601 PLUOYEXHQCXQIK-AIKVESQPSA-N 388.309 4.865 30 40 GJEB C=CCn1c(C)cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c1C 6460982 QYSZDBJNERIDDE-UHFFFAOYSA-N 388.467 4.805 30 40 GJEB Cc1ns/c(=N\C(=N\c2ccccc2)c2ccccc2)n1Cc1ccccc1 17144293 FYZFQLYZABRFAZ-KUXGFVDGSA-N 384.508 4.981 30 40 GJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl 20633191 QQNVXLJJBGTHAQ-IBGZPJMESA-N 379.847 4.708 30 40 GJEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc2c(c1)OCO2 35648029 PMFWMIZPAJTVSH-GIDUJCDVSA-N 393.251 4.614 30 40 GJEB Cc1ccc(O)c(/C=N/c2c(Br)cc(O)cc2Br)c1 38162486 MMNIIRHGJDPEQB-REZTVBANSA-N 385.055 4.682 30 40 GJEB CN(CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 58120952 VFUZMLKTQQNMFU-QGZVFWFLSA-N 387.936 4.904 30 40 GJEB C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(O)cc1 96401899 LPEYTAJPKBARRB-ITYLOYPMSA-N 383.495 4.504 30 40 GJEB CCCCCCCCNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 408723032 ZBAVNTHJHFPELR-UHFFFAOYSA-N 378.472 4.578 30 40 GJEB N#C[C@H](C(=O)CCCC(=O)Nc1ccc(Cl)cc1)c1ccccc1Cl 1613994 TWIHCITUVWXCOM-INIZCTEOSA-N 375.255 4.979 30 40 GJEB N#Cc1c(/N=C/c2cccc(I)c2)sc2c1CCCC2 3026513 GJYKBVHKRNOJSH-VXLYETTFSA-N 392.265 4.854 30 40 GJEB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1/[N+]([O-])=C/c1ccc(Cl)cc1 3084775 FHLFGOVDOSXRQJ-VYZAVGSRSA-N 390.961 4.908 30 40 GJEB FC(F)Oc1ccccc1/C=N/NC(=S)Nc1ccc(Cl)c(Cl)c1 3238284 PMTOPYZXYXKHFJ-DNTJNYDQSA-N 390.242 4.915 30 40 GJEB O=S(=O)(/N=C(/Nc1ccccc1F)c1ccccc1Cl)c1cccs1 6131942 OZBYBYYIQYAHJS-UHFFFAOYSA-N 394.880 4.788 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)c1cc3c(cc1N2)OCO3 18200314 BUSJQFAAKASJGC-IBGZPJMESA-N 387.357 4.999 30 40 GJEB C[C@H](Oc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1)c1ccccc1 41108633 PIJJNPNDWOKJTR-WLXKGNRNSA-N 389.524 4.825 30 40 GJEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)n1 98087382 FIYXFGTYJVDMTO-QULNUVMCSA-N 394.559 4.789 30 40 GJEB CC(C)c1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 100936721 RDUCHSREGMKCCF-NOQVSKCTSA-N 380.469 4.742 30 40 GJEB Cc1cc(C)c(OCC(=O)n2cc(C#N)c3ccccc32)c(Br)c1 226362207 JUCMXBUPPSEVTH-UHFFFAOYSA-N 383.245 4.612 30 40 GJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 408708732 LSJHCHDLVKTHJL-UHFFFAOYSA-N 397.357 4.953 30 40 GJEB C#CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OCC 409097636 NNLKKRGQIPCDBU-YBEGLDIGSA-N 387.357 4.609 30 40 GJEB O=C(C[n+]1cccc(C(=O)Nc2ccccc2)c1)c1ccc(-c2ccccc2)cc1 1955988 CFTHDRGSIALRLP-UHFFFAOYSA-O 393.466 4.776 30 40 GJEB C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc([N+](=O)[O-])cc1 5869358 NGSNLZYWBDQVSN-UHFFFAOYSA-N 396.472 4.552 30 40 GJEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 9419252 KLUHNZBGMUWCLX-IDUWFGFVSA-N 393.222 4.552 30 40 GJEB COc1ccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)cc1 35311839 QQPAIOKCZMFXPW-UHFFFAOYSA-N 391.496 4.969 30 40 GJEB COc1cccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c1OC(C)C 409011902 PAFOGCOASWDXNU-PDGQHHTCSA-N 382.485 4.682 30 40 GJEB C=CCn1c(SCC(=C)Br)nc2sc3c(c2c1=O)CCCC3 985043 BYBRSCFMESYOPS-UHFFFAOYSA-N 397.363 4.524 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C#N)C1 994008 ZNWDKBLMGZYAAJ-JTQLQIEISA-N 375.291 4.759 30 40 GJEB COc1ccc2cc(C(=O)/C=C/c3cc(OC)c(OC)cc3OC)ccc2c1 5128977 NQBACWJUHBZPSJ-CSKARUKUSA-N 378.424 4.770 30 40 GJEB CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)nc12 5264851 UKTRJIHGZRWHTE-UHFFFAOYSA-N 398.491 4.972 30 40 GJEB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 6085322 NPWBGJZNVSQTHB-UHFFFAOYSA-N 383.860 4.661 30 40 GJEB Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3F)n2C2CC2)cc1 7427767 PENBVNGXQPXUTF-KRWDZBQOSA-N 378.476 4.955 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c[nH]c5ccccc45)[C@H]3C[C@@H]12 12659794 GSEQLMIKUZMKEZ-LMFLMHRHSA-N 392.543 4.614 30 40 GJEB biogenic CCOC(=O)CSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCCC2 13284524 FPMFAVMMKBCYDZ-UHFFFAOYSA-N 386.904 4.808 30 40 GJEB Cc1cc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3c(C)noc3n2)c(C)o1 14200216 FMLJPIYTWCAFHG-UHFFFAOYSA-N 386.411 4.726 30 40 GJEB COc1ccccc1CN/N=C/c1cn(Cc2cccc(C#N)c2)c2ccccc12 20763530 DJCLVWFHVPPZGJ-LQKURTRISA-N 394.478 4.694 30 40 GJEB CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 47533930 ZVCTZVRGMNHZIU-MRXNPFEDSA-N 389.503 4.609 30 40 GJEB N#Cc1cn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc12 51319171 GWEZKAXEFPQZFY-UHFFFAOYSA-N 377.753 4.824 30 40 GJEB O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)F 169795670 GBOSUFAFINJVJJ-UHFFFAOYSA-N 390.120 4.560 30 40 GJEB C#CCOc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408931537 MXPYUDJTJAAURS-OEAKJJBVSA-N 389.282 4.593 30 40 GJEB CCOc1ccc(-n2c(C)cc(/C=N/Cc3ccc(C(=O)O)cc3)c2C)cc1 409187049 LJRJFOUXISBXMI-BUVRLJJBSA-N 376.456 4.810 30 40 GJEB CCCC/N=C1/S[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1CCCC 4715539 FCMSKGDXQLSHAS-YGCDDZCOSA-N 395.956 4.569 30 40 GJEB CCOc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 6962635 AMMBBQFJNIQNAY-XQNSMLJCSA-N 395.480 4.912 30 40 GJEB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1ccccc1C#N 13004531 UQRCGNCAGQYSBN-UHFFFAOYSA-N 380.831 4.509 30 40 GJEB C=CCN(C(=O)CCC(=O)c1ccc(OCC)cc1)[C@@H]1CCc2ccccc21 40146940 PTAUZDHHYCTATN-JOCHJYFZSA-N 377.484 4.750 30 40 GJEB CC/N=C1/S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C(=O)N1CC 101508698 NPKCZJMKUJKCBX-XATRHVNRSA-N 380.513 4.886 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O 208257059 KDKMYLQNEMJURX-CHROMADKSA-N 388.920 4.732 30 40 GJEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)cc1Cl 223738622 HBKDMSDVVZNHSF-XLNRJJMWSA-N 392.311 4.580 30 40 GJEB Cc1cc(C)nc(Sc2ccc(/C=N\c3ccc(O)cc3)cc2[N+](=O)[O-])n1 409121460 XADJVHUXVJLREC-JAIQZWGSSA-N 380.429 4.609 30 40 GJEB C=CCNC(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 4060304 AJCDJVKDMFPXMS-UHFFFAOYSA-N 381.888 4.864 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)c(Cl)c2)c(F)c1 5482742 POUOPDWIYYBIKG-UHFFFAOYSA-N 392.777 4.806 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1c(F)c(F)c(F)c(F)c1F 102410897 KCGRJKMPIOBYRX-QFSHWATDSA-N 399.197 4.755 30 40 GJEB Cc1cccc(/N=C\c2cc(Br)c(I)o2)c1 408846288 MLYMFCHGMKRVDF-CHHVJCJISA-N 390.018 4.706 30 40 GJEB C=CCNc1cc(C[S@@](=O)c2ccc(Cl)cc2)nc(-c2ccccc2)n1 4084472 WMHATTUSVQOXNH-SANMLTNESA-N 383.904 4.703 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccco1 6307549 NSRPUGYLICJRID-UHFFFAOYSA-N 382.489 4.578 30 40 GJEB C=CCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(F)cc1 6856037 LPKTVLLNQKPMIQ-UHFFFAOYSA-N 392.839 4.565 30 40 GJEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3Cl)cc21 8959589 GKDALSQBUGWEGE-UHFFFAOYSA-N 384.863 4.530 30 40 GJEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2c1=O 12607246 FTEMVYYCQUVMDJ-UHFFFAOYSA-N 379.485 4.621 30 40 GJEB COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1cccc(C(=O)O)c1 59250524 BKAUXVZBWXOVGS-ZMOGYAJESA-N 379.387 4.862 30 40 GJEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1cc(C)ccc1C 408912476 QNDGTXKXZISDBK-KDWIEBRMSA-N 381.457 4.836 30 40 GJEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408914756 YUYMMHOXIYGOHV-AUEPDCJTSA-N 396.830 4.925 30 40 GJEB O=C(/C=C/C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 1670123 XCPFGALFEXMGJF-MDZDMXLPSA-N 394.062 4.833 30 40 GJEB in-vitro N#Cc1ccc(-c2ccc(OCC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 5407070 XLAYPFNBCPDWLS-UHFFFAOYSA-N 386.495 4.689 30 40 GJEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OC(=O)C3CCCCC3)ccc21 9183727 YBCQVDAKLADXRV-NHDPSOOVSA-N 392.407 4.517 30 40 GJEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc1 18272485 QLGGZJSOQFEMDZ-YBEGLDIGSA-N 376.840 4.769 30 40 GJEB CCOC(=O)Nc1sc(N/N=C/c2ccccc2F)nc1-c1ccccc1 19927947 BLACYSUZMXNRBE-CIAFOILYSA-N 384.436 4.964 30 40 GJEB COc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)c(C#N)cc2c1 4125439 BKKDHRZAGKRSMJ-UHFFFAOYSA-N 397.887 4.808 30 40 GJEB Cc1ccc2c(c1)/C(=C1/S/C(=N\c3ccc(Cl)cc3)N=C1O)C(=O)N2C 15015784 BWSKHUYUOBLUOW-NXVVXOECSA-N 383.860 4.727 30 40 GJEB CCC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 30728871 HONIPOFOKOETAA-MUVPWNSGSA-N 376.562 4.528 30 40 GJEB biogenic,in-vitro C=C(C)COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 219792726 XZACPIZOERGUKA-HXUWFJFHSA-N 381.472 4.682 30 40 GJEB O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2ccccn2)o1 408993564 WFSXOIQXZJZNJM-QINSGFPZSA-N 379.466 4.717 30 40 GJEB O=C1CSC(=S)N1/N=C/c1ccccc1OCc1ccc2ccccc2c1 409342907 CYOFIKAKGUNHEE-WSDLNYQXSA-N 392.505 4.613 30 40 GJEB Cc1[nH]c(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(C#N)c1C 1149757987 QZNYPKUCEDDZPZ-UHFFFAOYSA-N 397.434 4.837 30 40 GJEB O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc(O)c2CN1CCCCC1 2194694 GYKVLUNMEYCBJS-ODLFYWEKSA-N 387.838 4.787 30 40 GJEB C=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(C(=O)O)cc1 4537274 WIBCUTVRGBBGIT-UTDRDVLOSA-N 390.464 4.731 30 40 GJEB COc1ccccc1NC(=O)/C(=C\n1c(=S)sc2ccccc21)C(C)=O 5498689 MOFUNLUTCWCFQI-QBFSEMIESA-N 384.482 4.509 30 40 GJEB CCOC(=O)c1cc(-c2ccccc2)sc1NC=C1C(=O)CC(C)(C)CC1=O 6541754 DTDWNHMYLHCRQH-UHFFFAOYSA-N 397.496 4.846 30 40 GJEB Oc1ccc2ccccc2c1/C=N/N/C(S)=N/C12CC3CC(CC(C3)C1)C2 6584060 VQSMXXOIRBRSML-YDZHTSKRSA-N 379.529 4.724 30 40 GJEB Cc1ccc(N/C(S)=N\C(=N)Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 15986288 JAOIBLJSBWGXSB-UHFFFAOYSA-N 378.505 4.608 30 40 GJEB aggregator Cc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1Cl 59678899 QAIFDVJRELGSNM-VXLYETTFSA-N 383.673 4.591 30 40 GJEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\Nc1ccccc1C 100150602 XXHXOCKSILGZGE-CLCOLTQESA-N 389.484 4.618 30 40 GJEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 104108795 UVPYGOFDQVUWOC-AYWGPLOBSA-N 397.474 4.659 30 40 GJEB Cc1ccc(-c2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] 408587978 AUCHHNWUXKDQLC-RGVLZGJSSA-N 381.344 4.622 30 40 GJEB N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2 2737027 MLIOCKTVIBJXFD-UHFFFAOYSA-N 375.837 4.703 30 40 GJEB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 4738834 MHSYLNCRDBUSBR-OEAKJJBVSA-N 391.427 4.930 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)cc1OC 5376539 RRCSHSQUUPNYRH-UNOMPAQXSA-N 382.485 4.602 30 40 GJEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C#N)C1 5920824 NDTCKGIEHFVGIN-JTQLQIEISA-N 389.933 4.525 30 40 GJEB CCc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2cccs2)cc1 10447612 NTZANOKXKKNFPR-KSFYIVLOSA-N 390.508 4.855 30 40 GJEB N#Cc1c(COC(=O)c2ncc(Cl)c(Cl)c2Cl)cn2ccccc12 14850221 VVCSIOOXRLMTIK-UHFFFAOYSA-N 380.618 4.523 30 40 GJEB CC(C)c1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 24837509 FZLQYKKYEZEIPL-UHFFFAOYSA-N 381.545 4.692 30 40 GJEB COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)Nc2sccc2C#N)cc1 28913042 GDHHIQXRZSTYNC-AWEZNQCLSA-N 393.468 4.860 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1Cl 408738059 IMCJFNFHYFUWGU-GHXNOFRVSA-N 397.681 4.896 30 40 GJEB C/C(=N\NC(=S)Nc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 408841014 IEYKDLXWNYFPQY-PCLIKHOPSA-N 388.496 4.650 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 815896 SFSJUPHOHNFSES-LIUKBUMOSA-N 396.874 4.571 30 40 GJEB CCCC(=O)C1=C(Nc2ccc3ccccc3c2)CC(C)(C)[C@@H](C(=O)OC)C1=O 1279869 CEBVJCQHOBKEMA-OAQYLSRUSA-N 393.483 4.663 30 40 GJEB C=CCN/C(S)=N/N=C\c1c(OCc2ccccc2)ccc2ccccc12 5009755 SVWWHNDPSMVEPN-IWIPYMOSSA-N 375.497 4.814 30 40 GJEB C=CCSc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CC(C)(C)OC3 5575143 LPWQWYWBGHVZJS-UHFFFAOYSA-N 386.546 4.623 30 40 GJEB CC(C)CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 9236599 KHWPDYDVZRVMRJ-RGVLZGJSSA-N 392.480 4.830 30 40 GJEB CC1=C(C(=O)OC(C)C)[C@H](c2cccc3ccccc23)C2=C(CCCC2=O)N1 19898414 ZIFXIGPCCUGMGV-QFIPXVFZSA-N 375.468 4.759 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C)o1 19972789 VXYBIPPBUMGPBO-SZNDQCEHSA-N 397.496 4.574 30 40 GJEB CCOc1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 25425736 KANQLIWUKSHGSH-ZXVVBBHZSA-N 397.522 4.807 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)O)ccc3C)c2C)cc1 408742124 NEGGWQZDHYKERV-ZMOGYAJESA-N 390.439 4.638 30 40 GJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3)c2C)c1 408966266 KZKCBFLCPHTVMH-ZVHZXABRSA-N 390.439 4.720 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)S2)cc1 408968148 ZRHFJEZOYHKHGL-DEDYPNTBSA-N 388.496 4.689 30 40 GJEB O=C(c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F 575360922 OVEBGHNWQITNHX-UHFFFAOYSA-N 390.148 4.939 30 40 GJEB COC(=O)[C@@H]1C(=O)C=C(Nc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 1080012 SBODGHGPPUOMPZ-MJGOQNOKSA-N 389.373 4.547 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N([C@@H](C)CC)C2=O)cc1Cl 2089506 RWWDIJCAPAIMCM-ADVUTCEVSA-N 384.284 4.840 30 40 GJEB COc1cccc(/N=C2/Sc3nc4ccc(C)cc4cc3CN2CCCO)c1 4858402 CIZOGHGQSPEBIC-GHVJWSGMSA-N 393.512 4.530 30 40 GJEB Ic1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 5898951 UVPRVAAXFHITEC-CPNJWEJPSA-N 376.241 4.642 30 40 GJEB C=CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 30940494 YFKZBWADHKERKI-GOSISDBHSA-N 384.907 4.756 30 40 GJEB N#CCOc1ccc(C(=O)/C=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1 40139704 VXLYBEBYBWAPQY-KPKJPENVSA-N 394.430 4.936 30 40 GJEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 100175838 DKROTHIIHUFWJN-KRGNWTBWSA-N 380.447 4.524 30 40 GJEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 224672326 POOZWTWHALLCIR-UHFFFAOYSA-N 375.799 4.740 30 40 GJEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1 225133140 KHLHFSDLKYMSAZ-UHFFFAOYSA-N 381.828 4.802 30 40 GJEB C#CCOC(=O)c1cc(-c2ccc(F)cc2)nc2ccc(Br)cc12 226360113 PWUFGFSAXGYBBZ-UHFFFAOYSA-N 384.204 4.593 30 40 GJEB O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccn1-c1ccc(O)cc1 409022631 DSHLTCWBRRUICV-PDGQHHTCSA-N 395.871 4.728 30 40 GJEB CCN(CC)/C(C)=N/C(=O)N[C@H](c1ccc(C)cc1)C(Cl)(Cl)Cl 2106860 ISQZLVFBSYDHAZ-MQMKENTISA-N 378.731 4.876 30 40 GJEB Oc1ccc2ccccc2c1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1 2222753 HQHJNSCPLSXPPK-NHDPSOOVSA-N 380.860 4.628 30 40 GJEB CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2394291 YCUWMJSPDQVQES-GOSISDBHSA-N 394.519 4.741 30 40 GJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/N=C(c2ccccc2)c2ccccc2)c1O 3276064 YKMRKZMSHWYXKJ-LPYMAVHISA-N 379.803 4.825 30 40 GJEB C(=N/n1cnnc1)\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 4679054 DOVCRAKYSCWOOS-UJBXUPAJSA-N 392.466 4.516 30 40 GJEB C/C(=N\N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1C)c1ccc(Cl)cc1 5242438 VNXHRPHYEFZBED-HMGLBJTLSA-N 386.864 4.640 30 40 GJEB C[C@@H]1C(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C(=O)N1c1ccccc1 12775227 KSMGYIBMWAUAPG-QGZVFWFLSA-N 381.435 4.583 30 40 GJEB Cc1[nH]c2ccccc2c1/C=N/n1cnnc1SCc1ccc(Cl)cc1 23098893 SVCAZBXCUBDHRY-LSHDLFTRSA-N 381.892 4.896 30 40 GJEB N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 72304571 FHAONAAMVZNQRO-NQIIRXRSSA-N 390.874 4.642 30 40 GJEB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)c(Cl)c2)c1C(F)(F)F 78964285 GAUDNAXEWFSOGX-UHFFFAOYSA-N 389.658 4.503 30 40 GJEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)[C@@H](/C(C)=N/O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118915914 BSLCVENCLGLBCE-MATPFZHOSA-N 389.536 4.606 30 40 GJEB N#CC1(N(Cc2ccccc2)Cc2ccccc2)[C@@H]2CN(Cc3ccccc3)C[C@H]21 221289305 OPFXRNKNESEOCU-CLJLJLNGSA-N 393.534 4.713 30 40 GJEB CC1=C(c2ccc(N/N=C3/C=NC(=N)S3)cc2)C(=O)[C@H](c2ccccc2)[C@@H]1C 1554503614 RMSSABPQXDHLMV-AHNABDDESA-N 388.496 4.940 30 40 GJEB Cc1cc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2cc1C 1354492 HZJVSJHJDRFPED-MRXNPFEDSA-N 387.508 4.793 30 40 GJEB Cc1cc(/C=C2\SC(S)=NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 1870283 UEWTZZWGWCVSDZ-PXNMLYILSA-N 399.566 4.806 30 40 GJEB CCOc1cc(/C=N/O)cc(Br)c1OCc1ccccc1Cl 11993470 LKMMSCKHQFNYEN-DJKKODMXSA-N 384.657 4.888 30 40 GJEB O=C1/C(=C\c2ccc(OCc3cscn3)cc2)CCOc2ccc(F)cc21 58391621 PZKMKFXTLGFIBW-DHDCSXOGSA-N 381.428 4.910 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 71785073 PROOCHLOKDKNMI-KAKBDNISSA-N 376.500 4.727 30 40 GJEB CCOc1cc(/C=C2/COc3ccccc3C2=O)cc(Br)c1OC 96767411 DPFVLLNBANEAFQ-JYRVWZFOSA-N 389.245 4.515 30 40 GJEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 102801032 WVUMMXVPFRBGTG-JBCNATCCSA-N 387.410 4.760 30 40 GJEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1 225115618 AZTLVMHTAJBXCY-UHFFFAOYSA-N 397.471 4.883 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1CC 408560638 MJCSMVJIEHXMBE-UHFFFAOYSA-N 390.553 4.550 30 40 GJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1 408706641 BNJAKAFVXHEHBD-UHFFFAOYSA-N 383.330 4.645 30 40 GJEB CCCCn1c(NC(=O)/C=C/c2ccccc2)c(C#N)c2nc3ccccc3nc21 2322629 VXFBQIMLBBSSGT-BUHFOSPRSA-N 395.466 4.908 30 40 GJEB COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)c1 5376471 GKIGBHMQAOPVPC-MOSHPQCFSA-N 390.464 4.749 30 40 GJEB CCCCCCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5711816 SNSJKLJWZYIHLC-XSFVSMFZSA-N 386.408 4.908 30 40 GJEB C=CCN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1 37215206 AYZPZFJHVQNWKO-JOCHJYFZSA-N 394.565 4.976 30 40 GJEB C=CCn1c(S[C@@H](C)c2nnc(C)o2)nnc1-c1ccc(C(C)(C)C)cc1 48187490 QBLGRLSZBIPHCU-ZDUSSCGKSA-N 383.521 4.973 30 40 GJEB COC(=O)c1cc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)ccc1Cl 59104568 SLYWHJUGUQYBQD-OEAKJJBVSA-N 381.863 4.734 30 40 GJEB O/C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)=N\c1ccccc1Cl 82093528 ASUPHKMPUWYOMO-SFHVURJKSA-N 386.879 4.926 30 40 GJEB O=C1/C(=N\c2ccc(Cl)c(Cl)c2)c2ccccc2N1CN1CCCCC1 137020097 SUEMZVNYYZUPHD-NMWGTECJSA-N 388.298 4.904 30 40 GJEB COc1ccccc1COc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C#N)c1C 596810436 UNYDRUDPNZIZDW-YLJYHZDGSA-N 393.487 4.787 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c1C 3326255 AQANGXUYVJCTHZ-UHFFFAOYSA-N 390.512 4.770 30 40 GJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033607 XSCVXBRNWQSIOY-MRXNPFEDSA-N 377.513 4.855 30 40 GJEB N#Cc1ccc(COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 4389729 OBFMYFJUHRHUJK-UHFFFAOYSA-N 385.448 4.829 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 4826774 SBNLYICFKVZQIX-HZHRSRAPSA-N 396.410 4.560 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(Cl)c1 4918315 AMCZKCFVZWYSMG-CTNGQTDRSA-N 384.859 4.668 30 40 GJEB OC1=Nc2c(Cl)cc(Cl)cc2/C1=N/Nc1ccc(C(F)(F)F)cn1 6923180 LTXVMIAWQWBGQA-UHFFFAOYSA-N 375.137 4.825 30 40 GJEB Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C#N)cc1 17077793 IXHRKUFRUZESTP-HZPDHXFCSA-N 380.469 4.509 30 40 GJEB C[N+](C)=C1C=CC(=C2C=CN(CC(=O)c3ccc(Cl)c(Cl)c3)C=C2)C=C1 18191543 ZBESESBCBCBMBL-UHFFFAOYSA-N 386.302 4.655 30 40 GJEB CC(C)(C)c1cc[n+](/C(C(=O)c2ccc(Cl)s2)=C(/S)NC2CC2)cc1 25248071 WAFLVYVQTAKPON-UHFFFAOYSA-O 393.985 4.677 30 40 GJEB O=c1oc(=S)[nH]nc1-c1ccccc1/N=C/c1ccc(Cl)c(Cl)c1 54363831 GMRJXGFUXACUPI-UFWORHAWSA-N 378.240 4.817 30 40 GJEB COc1cc(/C=C2/CSc3ccccc3C2=O)cc(Br)c1O 96792534 RLOJIHJAUSJTGR-WDZFZDKYSA-N 377.259 4.535 30 40 GJEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)NCCc1ccccc1 100397924 WPUQDUGSQULKGN-QQXSKIMKSA-N 392.886 4.828 30 40 GJEB Cc1cccc(N2C(=O)C(=O)/C(=C3\C=Cc4ccccc4N3)[C@H]2c2ccsc2)n1 101275222 JOCBYDZQUZOHGM-BIZYMNTOSA-N 399.475 4.502 30 40 GJEB Cc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C 103713621 RUHLDIOFKNRPLE-COPMAWBXSA-N 395.528 4.709 30 40 GJEB CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916062 FCJZEZIAZQLHTC-AOLSLARLSA-N 394.559 4.789 30 40 GJEB O=[N+]([O-])c1cccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1848350314 CBVGCGBFKBBTDH-UHFFFAOYSA-N 385.182 4.832 30 40 GJEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(/C=N/C2CCCCC2)cc1 3083688 SGIIXPDZBQFFLE-GLAYHYRKSA-N 378.428 4.965 30 40 GJEB N#Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1 4271804 XFENZBHLPRNXPU-UHFFFAOYSA-N 381.226 4.738 30 40 GJEB N#Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 9264937 DRDUZVUSWZYDDZ-UHFFFAOYSA-N 396.475 4.781 30 40 GJEB N#Cc1ccc(COC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(F)c1 12921074 HZTJSKQQPHJPIE-UHFFFAOYSA-N 395.411 4.554 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 33446742 VSOSJHXQHOZWOG-CPNJWEJPSA-N 397.521 4.974 30 40 GJEB C=CCn1c(Sc2ncnc3sc(C)c(C)c23)nnc1-c1ccoc1C 48234413 JURJZAPDLGLITH-UHFFFAOYSA-N 383.502 4.805 30 40 GJEB N#Cc1cnc2c(/N=N\c3ccccc3Cl)c(N)nn2c1-c1cccs1 97411224 UEZBUZIRMOYESR-FCQUAONHSA-N 379.836 4.980 30 40 GJEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409164742 NFCRUIMZWVKQEW-CXUHLZMHSA-N 399.269 4.557 30 40 GJEB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(OC)c2C#N)c(OC)c1 1103458 UEALKDVEKLQDNE-UHFFFAOYSA-N 380.831 4.966 30 40 GJEB COc1ccc([C@](C#N)(CCC#N)c2ncc(C(F)(F)F)cc2Cl)cc1 3133152 JITWERIVUHXHCC-QGZVFWFLSA-N 379.769 4.876 30 40 GJEB COc1ccc(/N=C(\Nc2ccc(OC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 5393889 RUWUYFDJDMFVJP-UHFFFAOYSA-N 377.400 4.802 30 40 GJEB C=CCc1cc(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)cc(OC)c1O 6955663 DBFWDDFCZHQAIG-YDZHTSKRSA-N 399.512 4.997 30 40 GJEB CCC/C(O)=N/C1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccccc2)N1 17016887 DFIBJYKWLPSXIG-GOSISDBHSA-N 393.878 4.725 30 40 GJEB N#CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 54498970 UTSGTCNIZZIFCK-MHWRWJLKSA-N 386.885 4.648 30 40 GJEB Cc1ccc(C[C@@H](C#N)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 60707074 KVVITTADFRSQAS-ZDUSSCGKSA-N 396.825 4.937 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccs1 96129781 KVZFLJYASPWZRJ-XCLFUZPHSA-N 399.537 4.734 30 40 GJEB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2 100507686 DOVIPLHGNQPNGK-PDGQHHTCSA-N 390.512 4.834 30 40 GJEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 224994630 SWEGTAJYYDXIKG-UHFFFAOYSA-N 377.531 4.577 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409134086 ORZHSCANDUNWAM-CAPFRKAQSA-N 379.481 4.921 30 40 GJEB CN1N=C(c2ccc(Cl)cc2)/C(=N\Nc2ccc(Cl)cc2Cl)C1=N 3767668 XWDSXNFZURHWKW-BZIAYQISSA-N 380.666 4.742 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1 4849088 SMLGDALXTWXIJH-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N 4849158 FZOFFGJMNSMTDM-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB COc1ccc(OC)c(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)c1 5514478 MALWPKFFCIPUHR-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 6586392 FXKMWCZAVYQZPA-HNNXBMFYSA-N 383.879 4.608 30 40 GJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1csc(-c2ccccc2)n1 7672154 PVJKPYFMCHJVCU-UHFFFAOYSA-N 389.436 4.731 30 40 GJEB C=CCOc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 8104443 XULWICORASDKDM-UHFFFAOYSA-N 396.668 4.685 30 40 GJEB COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(N(C)C)cc2)c1 408952750 MJMNWEMBTWQKGH-OEAKJJBVSA-N 381.863 4.734 30 40 GJEB CCOc1cc(C#N)ccc1O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 7509164 DPVHVOAQQGPLGN-QFIPXVFZSA-N 390.414 4.855 30 40 GJEB Fc1ccc(-c2cs/c(=N/c3cccnc3)n2/N=C/c2ccsc2)cc1 18113362 GYGOOUCKQNWSHX-MQOCBZJFSA-N 380.473 4.927 30 40 GJEB COc1cc2c(cc1OC)C(=O)/C(=C/c1ccccc1OCc1ccccn1)C2 95475216 DUVAPSLOFQAKTE-WOJGMQOQSA-N 387.435 4.500 30 40 GJEB CC(=O)C1=C(O)OC(C)=C[C@]12Nc1cc(C(C)(C)C)cc(Br)c1O2 100489674 JHQJJKXUPHRNMC-GOSISDBHSA-N 394.265 4.540 30 40 GJEB CN1/C(=C/C=N/N2CCN(c3ccc(Cl)cc3)CC2)C(C)(C)c2ccccc21 103440600 HGWASHUPHOUGEL-GRQPBOFMSA-N 394.950 4.759 30 40 GJEB COC(=O)c1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 103588882 QFXDEYNHHNAWIT-BKUYFWCQSA-N 383.245 4.777 30 40 GJEB C=CCOc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1 408802617 ZKXQOTOSKRXRDG-UHFFFAOYSA-N 385.896 4.976 30 40 GJEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)ccc2O)S1 409237370 UBBHIVCQXDJHQZ-OVCLIPMQSA-N 379.268 4.899 30 40 GJEB COc1cc(/C=N\c2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)o1 409385086 IZOBSHAWRNKQNR-FMCGGJTJSA-N 379.412 4.933 30 40 GJEB Cc1ccc(S(=O)(=O)OCCCCCCCCNC(=O)OC(C)(C)C)cc1 585164831 ZPZRUNAYGFZRQS-UHFFFAOYSA-N 399.553 4.566 30 40 GJEB CC(C)(C)[C@]1(C#N)C(=O)[C@@H]2[C@@H]3[C@H](C[C@H]21)C(=O)C3(c1ccccc1)c1ccccc1 607706743 UNYWJAWKTWOICU-YKUDZUIHSA-N 383.491 4.563 30 40 GJEB C=CCNC(=O)c1sc2c(Br)ccc(OC(F)F)c2c1Cl 2797047 QWLPJXQYVFXMQE-UHFFFAOYSA-N 396.640 4.834 30 40 GJEB N#Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(F)c1 8071667 UEAMBEFVPNUMHJ-UHFFFAOYSA-N 399.219 4.650 30 40 GJEB N#Cc1ccccc1-c1ccc(CSc2nnc(N3CCCC3)s2)cc1 64658149 CMWJZVQCUAAWPG-UHFFFAOYSA-N 378.526 4.969 30 40 GJEB Cc1c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cnn1C 239611784 FEOGWSYHLNRMLI-BCKYUMITSA-N 396.575 4.695 30 40 GJEB Cc1ccc(COc2c(Br)cc(C#N)cc2Br)cc1 408538734 PYMGNEUAOQKSNC-UHFFFAOYSA-N 381.067 4.971 30 40 GJEB Cc1cc(Br)ccc1/N=C\c1ccc(OCC(=O)O)c(Cl)c1 408847320 TWTAXBYHERCBPJ-UWVJOHFNSA-N 382.641 4.625 30 40 GJEB Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 408912398 FRWDZYGUSHVIAT-UHFFFAOYSA-N 385.419 4.563 30 40 GJEB COc1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCS2)cc1 1083783 ASZXQBPJKOBQNQ-FMIVXFBMSA-N 382.506 4.852 30 40 GJEB Cc1cc(C)c2nc(SCC(=O)Nc3ccc(N(C)C)cc3)c(C#N)cc2c1 4849176 WIHGPEGBHDGCOD-UHFFFAOYSA-N 390.512 4.520 30 40 GJEB CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN(CC)CC 4995113 FAUOPBBYADQKFS-UHFFFAOYSA-N 377.536 4.764 30 40 GJEB Cc1sc(NC(=O)CSc2ccc(Br)cc2)c(C#N)c1C 8332655 ZWJJDNHGCBVRLO-UHFFFAOYSA-N 381.320 4.730 30 40 GJEB N#Cc1ccccc1COc1ccc(/C=N/NCc2ccccc2Cl)cc1 8811322 NJFCIRZCCBHPQN-AFUMVMLFSA-N 375.859 4.914 30 40 GJEB Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCCCCCCCC/C2=N\O)cc1 19690979 NMOXKTQEEUIXBA-YDJIHCHBSA-N 380.554 4.729 30 40 GJEB COc1cc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)ccc1O 19832457 AYBGAAXWVSQQML-UHFFFAOYSA-N 386.238 4.890 30 40 GJEB Cc1cc(C)c(OC[C@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 95117250 CAIKYIMYLRSPEX-IBGZPJMESA-N 387.479 4.801 30 40 GJEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 102929851 XEWUNVDWGPTYJQ-MRJHHRETSA-N 387.410 4.760 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2\Sc3ccccc3NC2=O)cc1OCC 409103844 HHCLFZYGKSNJJL-PDGQHHTCSA-N 385.872 4.836 30 40 GJEB O=C(Nc1nc2c(Cl)cccc2s1)C(F)(F)C(F)(F)C(F)(F)F 1572586 CBNPSKVLXVHBMM-UHFFFAOYSA-N 380.672 4.721 30 40 GJEB COc1cc(/C=C2/C(=O)ON=C2c2ccc(C)cc2)ccc1OCc1ccccc1 3628592 SURSGXSZEVEMTI-KGENOOAVSA-N 399.446 4.927 30 40 GJEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 5201237 GKPQKDCKSSZERD-RJGXRXQPSA-N 397.902 4.739 30 40 GJEB Cc1ccc(N/C=C2/S/C(=N\c3ccc(F)cc3)N(C)C2=O)cc1Cl 6449768 FVKAEUGXPYIUOL-YWGDSDGQSA-N 375.856 4.934 30 40 GJEB Cn1c(SCc2ccc(C#N)cc2)nc2scc(-c3ccccc3)c2c1=O 7778373 VHXZHDQTUSZOAR-UHFFFAOYSA-N 389.505 4.826 30 40 GJEB C=CCNc1nc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cs1 7780396 DZHABOJCFCVYGE-LJQANCHMSA-N 378.453 4.522 30 40 GJEB CN(C)c1ccc(/C=C2/S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)cc1 8036169 OSOKXYUDEFHGNU-MHWRWJLKSA-N 391.418 4.663 30 40 GJEB O/C(CN1CCc2sccc2C1)=N\c1nc(-c2c[nH]c3ccccc23)cs1 24114693 MWBYNJKVXVDQFF-UHFFFAOYSA-N 394.525 4.999 30 40 GJEB CC/C(C)=N\N=c1/[nH]c2cc(C)c(NC(=O)Cc3ccccc3)c(C)c2s1 72228569 LACFDFRTSCOQOQ-OYKKKHCWSA-N 380.517 4.714 30 40 GJEB COc1ccc(OC)c(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)c1 408722261 FXULABYKZJMISV-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1Cl 409065952 GNKBFZWABQXYIR-PDGQHHTCSA-N 399.855 4.602 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)c1O 1313496 YTNXHHRHFSIZEY-SSDVNMTOSA-N 379.338 4.670 30 40 GJEB Cc1cc(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)no1 3176330 GHJIMZWRNPVVPV-UFWORHAWSA-N 375.222 4.827 30 40 GJEB N#C/C(=N/Nc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 4712318 JWJMOWFLWOZWDW-JCMHNJIXSA-N 383.274 4.912 30 40 GJEB COCc1cc(C)nc(N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1C#N 4719352 GZHSNZIIKIMAKU-FOKLQQMPSA-N 380.835 4.768 30 40 GJEB Cc1ccc(S(=O)(=O)O/N=C2\C[C@@H](c3ccccc3)Oc3ccccc32)cc1 4758181 UKUZCBKMKVMPIF-HFEWCJDKSA-N 393.464 4.628 30 40 GJEB Cc1[nH]c2ccc(Cl)cc2c1CC/N=C(\S)Nc1ccc([N+](=O)[O-])cc1 4905199 JBEGSNVNHHBYBK-UHFFFAOYSA-N 388.880 4.978 30 40 GJEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)cc1 5959426 XZBYDGAVSZQZPF-QRVIBDJDSA-N 388.419 4.899 30 40 GJEB biogenic CCOC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)c1ccccc1 6544791 STHDWXNFQXMXMZ-XMHGGMMESA-N 391.379 4.684 30 40 GJEB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cccc(C#N)c1 8009882 IQEQSXDKNHGQGQ-UHFFFAOYSA-N 392.462 4.683 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(-c2ccccc2)cc1 12347761 LUPBKCVPBVUICE-LJQANCHMSA-N 385.467 4.983 30 40 GJEB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccc(F)cc2)s1)c1ccccc1 59282014 QUQHWEDMWNOOHR-ZRDIBKRKSA-N 387.457 4.584 30 40 GJEB CCCCCCCCCCOC(=O)C[N+](C)(C)CCOC(=O)c1ccccc1 95676785 SBOONXSBXDPNDM-UHFFFAOYSA-N 392.560 4.604 30 40 GJEB N#CCCSc1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 95953432 PTYWUKLOCAFWPK-UHFFFAOYSA-N 379.510 4.997 30 40 GJEB CCOc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 100242830 PQAWRGUKADVDIV-XYGWBWBKSA-N 388.467 4.531 30 40 GJEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2CC)cc1 100259655 CKWRBIRUEPSFAA-PKEPYMRNSA-N 395.528 4.775 30 40 GJEB CCn1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 118916036 CWICEVOQFOQFIA-COPZKKGDSA-N 396.575 4.869 30 40 GJEB Cc1ccc(/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c(C)c1 408856769 LJTJFTGYMBRZEN-MSXFZWOLSA-N 390.439 4.858 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCC2)cc1 409103039 CWNIIJSGLWFHTM-WSDLNYQXSA-N 378.354 4.660 30 40 GJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(O)c(C(=O)O)c2)cc1OC 409376008 RZPLSVHMBDKKDW-VARIZKOUSA-N 377.824 4.680 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)cc1 872635 ICHDDMUIQZGMGY-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1OC 4739399 KCCZZFBZJUWHMP-ZICWZVMQSA-N 377.828 4.880 30 40 GJEB C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 12875503 MDRSYEXWHJXPOV-HKMXWPIPSA-N 390.435 4.962 30 40 GJEB biogenic Cc1ccc(C)c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cnsn1 16137365 FWFJKAJNYOYPBH-MFTINMCTSA-N 393.266 4.701 30 40 GJEB N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N1CCC(Cc2ccccc2)CC1 35672222 YSXLEUGQMAQBKC-UHFFFAOYSA-N 388.427 4.581 30 40 GJEB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(Sc2ccc(C#N)cn2)nnc1-c1ccco1 105714535 LVDNYGLKTYQJQP-OTRWWLKZSA-N 391.500 4.953 30 40 GJEB CO/N=C(\c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1 1385450 SXEWTOOENIXHKH-BUVRLJJBSA-N 381.741 4.808 30 40 GJEB COc1ccc(-c2nc(-c3ccncc3)nc(NCc3ccccc3)c2C#N)cc1 3133810 DHFIGYVTJLKPAO-UHFFFAOYSA-N 393.450 4.698 30 40 GJEB N#Cc1cccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 3299840 MXKIHQUEQRSQOV-QHCPKHFHSA-N 380.403 4.821 30 40 GJEB COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(C(C)C)C2=O)c1OC 4664336 MADKLKNSKZCTRI-UBIDFSEFSA-N 382.485 4.716 30 40 GJEB COC(=O)c1ccc(N2[C@@]3(C#N)CCCC[C@@H]3C[C@H]3CCCC[C@]32C#N)cc1 4733497 QFDDWPDUHMHVIP-NNLJWKLDSA-N 377.488 4.588 30 40 GJEB COc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1 4849198 UNMUDFXXYVASHJ-UHFFFAOYSA-N 397.887 4.808 30 40 GJEB N#Cc1ccc(COC(=O)COc2ccc(C3SCCCS3)cc2)cc1 7737886 UOYMBMZJIGMXCS-UHFFFAOYSA-N 385.510 4.549 30 40 GJEB N#Cc1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)cc1 8811819 NOTDKRZOHILQCW-AFUMVMLFSA-N 375.859 4.914 30 40 GJEB N#Cc1ccccc1NC(=O)CCSc1ncc(C(F)(F)F)cc1Cl 12819672 MWCXFHIAUBBLMW-UHFFFAOYSA-N 385.798 4.746 30 40 GJEB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 22409823 ZYSHHTMDUUSFFS-VWLOTQADSA-N 395.462 4.583 30 40 GJEB COc1ccccc1-n1nnnc1SCc1ccc(-c2ccccc2C#N)cc1 22415371 JVTAESCFFMVNTK-UHFFFAOYSA-N 399.479 4.502 30 40 GJEB N#C[C@H](C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1nc2ccccc2s1 40150569 MQFGOGJSEXQBNA-CYBMUJFWSA-N 378.844 4.830 30 40 GJEB C#Cc1cccc(NC(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)c1 58310500 OHPZIWXVBDYVCF-NRFANRHFSA-N 392.499 4.704 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 104145271 RZGKRMPUNFGLSJ-HOGKFDNTSA-N 383.447 4.617 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C#N 225766146 KZHZCBIDZYBINH-UHFFFAOYSA-N 396.874 4.978 30 40 GJEB Cc1cccnc1CN1CCCC[C@@H]1c1csc(Nc2cc(C#N)ccn2)n1 585294816 KNZPRIRNODZHNG-LJQANCHMSA-N 390.516 4.584 30 40 GJEB CC(C)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 4435980 LHTWNFFHKVQQEF-KKSFZXQISA-N 390.512 4.879 30 40 GJEB CC(C)(C)c1ccc(OCCOc2ccc(Cl)cc2/C=N/c2nnc[nH]2)cc1 4511940 SBYZDYZAYOKSGS-YDZHTSKRSA-N 398.894 4.964 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc(COc3cccc(C)c3)o2)c1C 5293968 VYBKAJFTZDEMMI-UHFFFAOYSA-N 397.500 4.536 30 40 GJEB C[C@@]1(/N=C/c2ccccc2O)C[C@H](/N=C/c2ccccc2O)c2ccccc2O1 5359685 KESRYMUTLYVDLO-DVKUSGJUSA-N 386.451 4.876 30 40 GJEB C=CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccccc1 7060996 CSSKEJDFIITUBQ-UHFFFAOYSA-N 389.480 4.838 30 40 GJEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 102529126 YLIAEYFHSTYAFL-MRJHHRETSA-N 387.410 4.760 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(F)c1 408622675 QKWAJEQPFQOYDW-UHFFFAOYSA-N 393.805 4.855 30 40 GJEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC 408705874 PGERMTSXUHLZDB-UHFFFAOYSA-N 392.499 4.739 30 40 GJEB N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCC[C@@H]2C#N)cc1 596696314 ZNBTXFULBGRPKT-NQIIRXRSSA-N 388.471 4.536 30 40 GJEB C=CCN(CC=C)Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCCC3)c12 5182773 MGUBOPIKLOUZAO-UHFFFAOYSA-N 382.504 4.683 30 40 GJEB O=C(O/N=C1\C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1Cl 5483746 SRXJROVSGYNATO-NMWGTECJSA-N 376.799 4.579 30 40 GJEB COc1cccc2cc(C(=O)/C=C/c3cccc(NC(=O)C(F)(F)F)c3)oc12 11331377 JHSACCJHQNQAFO-CMDGGOBGSA-N 389.329 4.838 30 40 GJEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 13121908 VGIJBSDBXIZIEJ-QHCPKHFHSA-N 385.467 4.889 30 40 GJEB CCOC(=O)[C@@H](C)Sc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCC2 13282844 DFRLTIHWBWIAGD-GFCCVEGCSA-N 386.904 4.806 30 40 GJEB C=CCOc1ccc(/C=C2/SC(Nc3ccc(OCC)cc3)=NC2=O)cc1 35647666 ANZLNWIQIBSDCJ-XMHGGMMESA-N 380.469 4.733 30 40 GJEB CC(C)c1ccc(S(=O)(=O)c2ccc(N/N=C3/CCn4cccc43)cc2)cc1 84625187 QIIXDJROYPVALA-FLFQWRMESA-N 393.512 4.664 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCCCC4)nc3)c2C#N)C1 84700272 LWJPXEAWDXKNNW-OAHLLOKOSA-N 394.544 4.772 30 40 GJEB COc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 100349852 CRABHZGEXIZLRU-NAHYFOQLSA-N 388.467 4.702 30 40 GJEB CC(C)N1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1ccccc1 408905825 FHNIAPKYNFGXQU-ZIGJTDFESA-N 377.469 4.601 30 40 GJEB N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 505922760 LHPFBIWZTLVPBQ-QFSBIZTOSA-N 381.209 4.756 30 40 GJEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1OC 4155289 UMLLQRWRKKWLAU-ZRDIBKRKSA-N 396.512 4.948 30 40 GJEB O=C1c2ccc(/C=N/O)cc2C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 4265561 LKLZIHVTXLMWTO-LRNAUUFOSA-N 389.021 4.884 30 40 GJEB C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)cc1 4600439 UTXLSLFZEHJDDZ-BUVRLJJBSA-N 381.501 4.576 30 40 GJEB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 59413096 LGMRONFKDFMSNK-AWEZNQCLSA-N 388.558 4.880 30 40 GJEB C=CCc1cc(/C=N/c2cccc3ccccc23)cc(OC)c1OCC(=O)O 408846555 OAALSRANXFRHSV-ZVHZXABRSA-N 375.424 4.791 30 40 GJEB CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1O 408848763 TWAZHPUHAHWYTH-YVLHZVERSA-N 388.876 4.644 30 40 GJEB O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1O 655438 SJQDMMADURQZHI-QGZVFWFLSA-N 385.217 4.665 30 40 GJEB CCCCCCCCn1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3292121 HXEVGXSYRZJJBS-UHFFFAOYSA-N 386.879 4.670 30 40 GJEB FC(F)(F)c1nc2ccccc2nc1N/N=C/c1ccc(Br)cc1 5519436 NQHBHSHBBHSGIJ-ZVBGSRNCSA-N 395.182 4.857 30 40 GJEB CN(C(=O)COc1ccc(C#N)cc1Cl)C(c1ccccc1)c1ccccc1 12932917 VSIRRDKZCMMWSA-UHFFFAOYSA-N 390.870 4.838 30 40 GJEB COc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl 19973651 NCDOMKSNWZTXSX-UHFFFAOYSA-N 392.282 4.703 30 40 GJEB Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59303497 KJFMEQUCTKFMKU-SSDVNMTOSA-N 394.452 4.530 30 40 GJEB FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]1(F)OC1(F)F 103540210 NHBLPVMIOWIOJW-ZETCQYMHSA-N 398.065 4.717 30 40 GJEB N#Cc1c(SCc2cccc(C(F)(F)F)c2)nc(N)nc1-c1cccs1 1398219 XQWWTAIDERCYIQ-UHFFFAOYSA-N 392.431 4.970 30 40 GJEB O=C(C[n+]1ccccc1CCNc1cccc(Cl)c1)c1ccc(Cl)cc1 2557702 OOUBHKJFSNTGRB-UHFFFAOYSA-N 386.302 4.818 30 40 GJEB CCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4082583 FOEWOVDSUXQZCV-NSWVHSCQSA-N 386.532 4.799 30 40 GJEB biogenic Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(Cl)cc2)cc1 9358966 OWMDBPXZHUGWRW-IERDGZPVSA-N 390.874 4.656 30 40 GJEB C=CCOc1ccc(Br)cc1/C=N/NCc1ccc(Cl)cc1 10118692 XNWHHLYOLUCIFU-CIAFOILYSA-N 379.685 4.791 30 40 GJEB C=CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1 12390944 SIVDGIRDPFQAQG-UHFFFAOYSA-N 393.374 4.747 30 40 GJEB N#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13000977 LDDPIZBSXRFESS-UHFFFAOYSA-N 395.189 4.685 30 40 GJEB CCCN(CCC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1OC)C2=O 13655607 AVEWCMDFIXJTOZ-STZFKDTASA-N 381.472 4.639 30 40 GJEB COc1ccc(C(=O)CSc2nc(-c3ccccc3F)ccc2C#N)cc1 19853482 WFXXJCCHANQPMP-UHFFFAOYSA-N 378.428 4.743 30 40 GJEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 32618216 WKBZORHCMJQOEY-UHFFFAOYSA-N 388.854 4.715 30 40 GJEB COc1cc(C(=O)/C=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1O 83923465 BNHSCWRKZGTKFE-XBXARRHUSA-N 388.345 4.501 30 40 GJEB CCCC/N=C1/S[C@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1CCCC 101519135 OVKQPALBJDVSGV-YGCDDZCOSA-N 395.956 4.569 30 40 GJEB Cc1sc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1C 408623991 ADBJUOUSWOTOIL-UHFFFAOYSA-N 384.313 4.670 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 409066140 LUIUBDIRMURVJJ-DEDYPNTBSA-N 395.480 4.805 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 4312168 NHVIPVUFLLVFOX-HXUWFJFHSA-N 391.373 4.748 30 40 GJEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccc(OC)cc2)C1=O 4486178 HDZZKAMUKMRART-AQTBWJFISA-N 395.480 4.547 30 40 GJEB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1cn2ccccc2c1C#N 14854256 SWZROOQGGZIMIU-UHFFFAOYSA-N 391.427 4.739 30 40 GJEB CCN(CC)c1ccc(/N=C2/C(c3ccccc3)=Nn3c2nc2cnccc23)cc1 16678187 STAAYOVPFLJVFA-RWEWTDSWSA-N 394.482 4.664 30 40 GJEB C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc21 20615571 OPRNTHUKDTZDMG-UHFFFAOYSA-N 397.809 4.979 30 40 GJEB C/C(=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccnn1C 58161126 IPEVBYMRIIKNTA-MXAYSNPKSA-N 376.851 4.520 30 40 GJEB CCCC/N=C1/S[C@@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CCCC 95482827 APLKUXYZRXEDMR-QQMHEVNUSA-N 395.956 4.569 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CC 408560989 SZGKYPGMEAMRSV-UHFFFAOYSA-N 378.517 4.681 30 40 GJEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(OC)c(OC)c2)C2=C1CCCC2=O 408919998 GEKIIWYXOWXWCE-UHFFFAOYSA-N 395.499 4.527 30 40 GJEB CCOC(=O)CCc1ccc(O)c(N=Cc2cc(Cl)cc(Cl)c2O)c1 575626954 VMDBHEUZCAPPJK-UHFFFAOYSA-N 382.243 4.651 30 40 GJEB c1ccc(N=C2NCCCCCCOc3ccccc3Oc3ncccc32)nc1 643570906 XTZKGOJYQBNTFI-UHFFFAOYSA-N 388.471 4.890 30 40 GJEB COc1ccccc1/N=C/c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 1058007 COGBNKATZXKUMW-OEAKJJBVSA-N 392.411 4.942 30 40 GJEB C=C1CC2(C[C@H](c3ccccc3OC)O[C@@H](c3ccccc3OC)C2)OC1=O 1613094 ONBOURZBYMXYJY-NHCUHLMSSA-N 380.440 4.539 30 40 GJEB N#Cc1ccccc1NC(=O)CCCCCCCC(=O)Nc1ccccc1C#N 4195943 QRLVBWMLRLGGGJ-UHFFFAOYSA-N 388.471 4.738 30 40 GJEB CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 4899026 STGSZDVITJLBGA-PPPMLJSVSA-N 395.528 4.638 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 5551685 UXSDDFAMIQURBB-WJDWOHSUSA-N 392.402 4.996 30 40 GJEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc(F)cc2)cc1OC 7058173 SSBUWUSXXWHNGH-RUDMXATFSA-N 379.225 4.892 30 40 GJEB CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2cc4ccccc4o2)C3=O)CC1 13735530 AECJGBKHFURGOP-XKZIYDEJSA-N 389.451 4.987 30 40 GJEB biogenic N#Cc1ccccc1OCc1nc2ccccc2nc1COc1ccccc1C#N 16449172 UYHKGJWZCMZSOY-UHFFFAOYSA-N 392.418 4.531 30 40 GJEB COc1cccc(/C(O)=N/c2c(NC3CCCC3)c3ccccc3oc2=O)c1 20274099 HIDHVPLKMJYDRK-UHFFFAOYSA-N 378.428 4.792 30 40 GJEB Cc1nc(-c2ccccc2)nc(SCC(=O)Nc2ccc(Cl)cc2)c1C#N 27789307 KUEIFXCMRRDXBY-UHFFFAOYSA-N 394.887 4.708 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 102599246 LKANPPUZBGDTOM-GHNGSUTGSA-N 387.838 4.701 30 40 GJEB Cc1cccc(-n2cccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1 408960759 IQJVGNINQATCPW-CPNJWEJPSA-N 377.444 4.816 30 40 GJEB COC(=O)c1ccc(/N=N/C(=N\N=c2\[nH]c3ccccc3s2)C(C)C)cc1 4084065 WSFUEQPQUUWADO-HXNIXJDOSA-N 381.461 4.670 30 40 GJEB CCOc1ccc(/C=C/C(=O)C2=CN(CC)C(=O)N[C@H]2c2ccc(C)cc2)cc1 12408708 XDWOTNNWLFHHOY-VOCPSOEZSA-N 390.483 4.646 30 40 GJEB Cc1nc2c(cc(OC[C@H](O)COc3ccc(C#N)cc3)c3ccsc32)s1 12981817 HRGJMPFIOIOCGO-CQSZACIVSA-N 396.493 4.510 30 40 GJEB COc1ccc(/C=C2/CC(C)C/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O 33518298 MDCOOAORMGAIEO-IWSCKCOWSA-N 380.440 4.581 30 40 GJEB N#Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 97014197 SUUXQYRQTAZXFO-UHFFFAOYSA-N 382.228 4.504 30 40 GJEB N#CCc1ccc(OCc2ccccc2NC(=O)N2CCCC(F)(F)CC2)cc1 585123614 LJORSOFISZXPEL-UHFFFAOYSA-N 399.441 4.985 30 40 GJEB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC 1013054 OTZQDSGBLAHDJG-CPNJWEJPSA-N 395.480 4.669 30 40 GJEB COc1ccc(/C=C/C2=CC(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC 1742013 WAPXWPLZLDBYAE-ZMBJWTFHSA-N 394.467 4.807 30 40 GJEB CC(=O)C1=NN(c2ccccc2)[C@@H](C#Cc2ccccc2)N1c1ccc(Cl)cc1 3162530 SELXOECFSRZQQL-QHCPKHFHSA-N 399.881 4.947 30 40 GJEB O=C1/C(=C/N(C(=O)c2ccco2)c2ccc([N+](=O)[O-])cc2)Sc2ccccc21 4427471 LDBSFORQLXHYMI-PDGQHHTCSA-N 392.392 4.665 30 40 GJEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3ccccc3s2)c1 5629126 KDJYVRAACUIMBL-UHFFFAOYSA-N 381.526 4.952 30 40 GJEB C=CCNCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 8254044 OMYUVAXVYGQHJI-UHFFFAOYSA-N 376.294 4.702 30 40 GJEB COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1OC 15009508 OLCRHPQKEBXKOJ-DHDCSXOGSA-N 377.259 4.796 30 40 GJEB Cc1ccc(S(=O)(=O)/N=C(\NC2CCCCC2)c2ccc(Cl)cc2)cc1 18066528 DSXAAXIVZBMVIY-UHFFFAOYSA-N 390.936 4.706 30 40 GJEB Cc1ccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)cc1C 59109374 DOWKSQUBTHARGY-UHFFFAOYSA-N 382.261 4.531 30 40 GJEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 59145678 MSLLPPQWNUYENV-CHHVJCJISA-N 379.268 4.899 30 40 GJEB C=CCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2cccc(C)c2)C(=O)N=C1O 83327752 LJGICQSTWJOHNK-SFQUDFHCSA-N 396.830 4.720 30 40 GJEB N#C[C@@H](C(=O)c1ccc(F)c(F)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 103765763 XDPMSRDCDHBYLB-MRXNPFEDSA-N 378.378 4.530 30 40 GJEB C=CCc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc(OCC)c1O 408844344 CMWVDPQCCKDYBV-PDGQHHTCSA-N 398.459 4.550 30 40 GJEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccs1 409326611 MJPPHXOSDFRKRH-NSHDSACASA-N 390.306 4.616 30 40 GJEB CCc1cccc(C)c1NC(=O)CSc1nc2ccc(OC)cc2cc1C#N 1354558 LBPSVWBCTLSIOF-UHFFFAOYSA-N 391.496 4.717 30 40 GJEB C[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 2349404 MUXARSJULIEDTL-ZKHVIILWSA-N 391.471 4.833 30 40 GJEB N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 6227088 VGYGAINLZCBPQB-UHFFFAOYSA-N 387.439 4.689 30 40 GJEB CCCCCCCC[S@](=O)CC(O)C[S@@](=O)CCCCCCCC 100952004 PHRYBBDFGXUWCV-DNQXCXABSA-N 380.660 4.566 30 40 GJEB COc1cccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1O 408776066 TWBNEERFJXSFJA-MDWZMJQESA-N 395.267 4.599 30 40 GJEB CCOc1ccccc1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O 408872097 KIVVCALJWYUOOV-YVLHZVERSA-N 388.876 4.639 30 40 GJEB C(=N/N1CCN(/N=C/c2cccc3ccccc23)CC1)\c1cccc2ccccc12 1700788 MYWMQPDVLCZSLS-MKYUKRCKSA-N 392.506 4.979 30 40 GJEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 4898750 PDIBVUAPZXPGBQ-GKYNBQQKSA-N 383.492 4.687 30 40 GJEB Oc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 5129613 JZPREYFIIHGJIT-HZHRSRAPSA-N 397.442 4.510 30 40 GJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5209345 GILSJUUREXBYHZ-HNNXBMFYSA-N 395.890 4.795 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 15012781 UJOUZKFLNHCFCG-BKUYFWCQSA-N 386.476 4.668 30 40 GJEB N#Cc1nc(COc2ccccc2F)oc1N1CCC(Cc2ccccc2)CC1 32675073 RNJXFFHZMHNQCR-UHFFFAOYSA-N 391.446 4.723 30 40 GJEB O=S(=O)(/N=C(\O)CCCCCCCc1ccccc1)Oc1ccccc1 84703874 HUOFTXAKCOMIKI-UHFFFAOYSA-N 375.490 4.850 30 40 GJEB COc1ccc(/C(=C/Nc2cccc(Br)c2)C(C)=O)cc1OC 100301542 ZOWHLVLONWWTKD-LFIBNONCSA-N 376.250 4.508 30 40 GJEB COc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/c2ccccc2)cc1 100862412 RDLBIHIRATYWPL-BUVRLJJBSA-N 384.439 4.506 30 40 GJEB CCCCCCCCCCCCCCCON1C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 104132319 VXJMRTBXUCTOBF-TUFLPTIASA-N 391.552 4.948 30 40 GJEB CCOc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC 408604880 ISHKWSCBFFUHIM-PKNBQFBNSA-N 382.485 4.558 30 40 GJEB CO/N=C(/C[S@@](=O)Cc1ccccc1Cl)c1ccc(Cl)cc1Cl 1382763 FLMXZANYTZJQBV-VUHHOQONSA-N 390.719 4.946 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1Cl 2450530 FXEOYZSCBLLERR-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB C=CCn1c(SCc2cc(OC)c(OC)cc2C)nnc1-c1ccc(F)cc1 3420607 GMJHWLJJCHNEMD-UHFFFAOYSA-N 399.491 4.888 30 40 GJEB Cc1ccc(Cn2c(SCc3cccc(C#N)c3)nc3ccccc3c2=O)cc1 4411767 OIOSXWNUQAAAQS-UHFFFAOYSA-N 397.503 4.917 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc21 4485670 XKGPZOYQPHMJQW-HUUCEWRRSA-N 383.492 4.719 30 40 GJEB COc1ccc(/N=C2\NC(=O)/C(=C\c3cccn3-c3ccccc3F)S2)cc1 4688268 HZDBAKXVJVLZKL-CPNJWEJPSA-N 393.443 4.517 30 40 GJEB CCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 4888250 DAWCLQKZZAROHS-ZNVYLOEZSA-N 379.529 4.938 30 40 GJEB COC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C#N)c1C 5881620 JOASQVLAAWLWQI-UHFFFAOYSA-N 376.437 4.634 30 40 GJEB CCCOc1ccc(/C=N/n2c(-c3ccc(OCC)cc3)n[nH]c2=S)cc1 5892744 JPMWZVXADDEQFU-KGENOOAVSA-N 382.489 4.677 30 40 GJEB N#C[C@@H](C(=O)CCC(=O)[C@@H](C#N)c1ccccc1Cl)c1ccccc1Cl 18085705 GMNPUVLIRBJBNW-IYBDPMFKSA-N 385.250 4.826 30 40 GJEB CCSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](C)CC1=O)N2 22608445 OFHHMGGTIHEQBK-DJJJIMSYSA-N 382.533 4.782 30 40 GJEB COc1ccc([C@H]2CC(=O)C=C(Nc3sc4c(c3C#N)CCCC4)C2)cc1 100151123 BQFVHBQPLUMAHS-OAHLLOKOSA-N 378.497 4.950 30 40 GJEB O=C(/C=C/Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OCCCF)cc1 100474439 OQCQBUYICIIZIB-CSKARUKUSA-N 378.787 4.795 30 40 GJEB CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\C1CCCCC1 102146892 VLXYRGUQDLQCPV-GRFWKSNNSA-N 393.965 4.945 30 40 GJEB CCCCC(NCCc1ccccc1)=C1C(=O)CC(c2ccccc2)CC1=O 102174984 ACJABDQFRXLQFB-UHFFFAOYSA-N 375.512 4.979 30 40 GJEB CC1=C(c2ccc(N/N=C3/C=NC(=N)S3)cc2)C(=O)[C@@H](c2ccccc2)[C@H]1C 1554503617 RMSSABPQXDHLMV-JZHLUEHVSA-N 388.496 4.940 30 40 GJEB C=CCn1c(SCc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCCC3 2195052 NNWVJJMZCZWBIY-UHFFFAOYSA-N 393.537 4.687 30 40 GJEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 5446338 FIFYUSWNUKNFDD-NRFANRHFSA-N 387.410 4.917 30 40 GJEB N#Cc1ccc(N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)nc1 12887207 LOJPFUZXJKRBRV-UHFFFAOYSA-N 394.931 4.657 30 40 GJEB C=CCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)cc(C)c4c3C)cc21 32593374 YIVSRHUDBSGCMR-UHFFFAOYSA-N 390.439 4.522 30 40 GJEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(F)cc3)cc2)cc1 100362479 JEJVJVXNLRCJCT-OYKKKHCWSA-N 378.403 4.602 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222919356 WENQSLOGWCUQTD-OAQYLSRUSA-N 394.515 4.696 30 40 GJEB CCOCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 408928789 JLAREMSJBGZUMT-POHHJLCXSA-N 391.496 4.808 30 40 GJEB Cc1ccc(/N=C\c2cccn2-c2ccc(C(=O)O)cc2)c(Br)c1 409227066 OMLVUVYEJQRPBJ-MTJSOVHGSA-N 383.245 4.997 30 40 GJEB N#Cc1nc(COc2ccc(Br)cc2)oc1NCCc1ccccc1 934599 WRWBBBZVQUQEPZ-UHFFFAOYSA-N 398.260 4.542 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccco1 2384462 SSVFDNBRYZJZNO-UHFFFAOYSA-N 396.516 4.798 30 40 GJEB CCN(CC)S(=O)(=O)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 4575783 YJFIWMAEXYTFNN-UDWIEESQSA-N 385.316 4.775 30 40 GJEB COc1cc(OC)c(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)cc1Cl 13007849 FEVMFCVIVHHFCR-SNAWJCMRSA-N 383.227 4.621 30 40 GJEB Cc1ccc2c(c1)/C(=N/Nc1cccc(Cl)c1Cl)C(=O)N2C1CSC1 223722081 ISUUVBVIEDTVPH-XLNRJJMWSA-N 392.311 4.580 30 40 GJEB NC(=O)C(=NNc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2s1 254842396 HEYBDTQPYFMCFL-UHFFFAOYSA-N 399.690 4.558 30 40 GJEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)S1 408876302 OLVXIECTBNVQJR-NDENLUEZSA-N 391.496 4.695 30 40 GJEB CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 2330409 STGSZDVITJLBGA-MJHJUBQXSA-N 395.528 4.638 30 40 GJEB C=CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 2420215 BEVINZUONZRIQK-IUXPMGMMSA-N 375.758 4.528 30 40 GJEB CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 5093491 VGVHIICSNWUOKN-PEHOWQFQSA-N 395.528 4.720 30 40 GJEB O=C(/C=C/c1ccc(Br)s1)c1ccc(N2CCCC2=O)cc1 5335671 DHBZOHAISDDTAJ-VQHVLOKHSA-N 376.275 4.534 30 40 GJEB Cc1ccc(-n2c(S[C@@H](C)C#N)nc3sc4c(c3c2=O)CCCC4)cc1 6056917 FZZABIKTAMQBNI-ZDUSSCGKSA-N 381.526 4.639 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(-c2ccccc2)cc1 12347772 LUPBKCVPBVUICE-IBGZPJMESA-N 385.467 4.983 30 40 GJEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 100224710 OWQQLCJUCVGULB-FYJGNVAPSA-N 383.245 4.777 30 40 GJEB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCC#N)cc1)N2 102955550 YIMVLTTYVHYBNO-LVCYWYKZSA-N 375.428 4.941 30 40 GJEB O=C(O)c1cccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cn3)o2)c1 409107055 PXSPGEXLYIFAKI-RMORIDSASA-N 375.306 4.505 30 40 GJEB N#C[C@H](NC(=O)c1ccccc1N1CCCCC1)c1cccc(C(F)(F)F)c1 505977308 RQMQWJVJPIZBKZ-SFHVURJKSA-N 387.405 4.690 30 40 GJEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccnc1 2366168 BWKNLZXQMOTKMX-UHFFFAOYSA-N 386.480 4.654 30 40 GJEB O=C(/C=C/N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 6045231 IAXNMGFSCUMQPU-BQYQJAHWSA-N 379.262 4.651 30 40 GJEB CCOc1ccc(-c2nnc(S)n2/N=C/C(Cl)=C/c2ccccc2)cc1 9087137 DNCQPASBVYELSY-WMODRVCGSA-N 384.892 4.746 30 40 GJEB N#Cc1c(NC(=O)C2=C(c3ccccc3)SCCO2)sc2c1CCCC2 12321719 LZCVJEITUAKQDQ-UHFFFAOYSA-N 382.510 4.569 30 40 GJEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1ccc(Cl)cc1Cl 13769762 AVAGLBOQQLWZOT-UHFFFAOYSA-N 390.265 4.718 30 40 GJEB C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(OC)c(OC)c1 14083638 CRXBDMHOUSAYEG-UHFFFAOYSA-N 381.501 4.749 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O 15013368 LRZRSSDFZPKYGN-XNTDXEJSSA-N 390.258 4.931 30 40 GJEB Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1 33627793 HQKDWGUMKWMXAJ-QFEZKATASA-N 392.430 4.702 30 40 GJEB CN(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 58120961 VFUZMLKTQQNMFU-KRWDZBQOSA-N 387.936 4.904 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccs1 96129780 KVZFLJYASPWZRJ-ZUOKHONESA-N 399.537 4.734 30 40 GJEB C#CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 409086256 UXQNHDSKHYNHHN-PYCFMQQDSA-N 378.431 4.533 30 40 GJEB C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OC)cc1 409110027 PWOWANQQHAMZKH-UHFFFAOYSA-N 386.542 4.995 30 40 GJEB COc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3C)c(C#N)cc2c1 862111 AOCWWALFBZXZTM-UHFFFAOYSA-N 397.887 4.808 30 40 GJEB C=CCn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033470 GXOTZKQCCWYXHA-AWEZNQCLSA-N 396.288 4.505 30 40 GJEB C=CCOc1sc2nc(-c3ccc(OC)c(Br)c3)cn2c1C 2703745 JHSARIACTRGFSH-UHFFFAOYSA-N 379.279 4.707 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2ccccc21 4492749 JWYWQKNWSRWNGR-OAHLLOKOSA-N 379.485 4.544 30 40 GJEB C=CCOc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1OC 7699624 ADEATUVFONTVDD-RVDMUPIBSA-N 394.858 4.568 30 40 GJEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3Cl)ccc21 8958772 NIAMJMJJLGVFMS-UHFFFAOYSA-N 384.863 4.530 30 40 GJEB COc1ccc(-c2nc(CSCC(=O)Nc3cccc(C#N)c3)cs2)cc1 36391397 HDACLRFEZXMAAH-UHFFFAOYSA-N 395.509 4.562 30 40 GJEB C=CCN(C(=O)c1cc(F)ccc1Br)c1nc2c(s1)CCCC2 36784957 PQGRFNUEAROONK-UHFFFAOYSA-N 395.297 4.756 30 40 GJEB Cc1ccc(CCC(=O)[C@@H](C#N)c2nccn2Cc2ccccc2)cc1Cl 40089627 NBXPPXCJYJCSDD-LJQANCHMSA-N 377.875 4.702 30 40 GJEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 408950546 GIKFNIIGAZYWQC-ZHZULCJRSA-N 389.480 4.686 30 40 GJEB N#Cc1ccccc1Oc1ccc(Nc2cc(C(F)F)nc3ncnn23)cc1F 1655192374 PIAWCOOVVLUBQW-UHFFFAOYSA-N 396.332 4.609 30 40 GJEB Cc1cccc(OCC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 40146407 PXNUOCZTEDPDCM-UHFFFAOYSA-N 388.442 4.614 30 40 GJEB CCOc1ccc(N/C=C(/C(=O)c2ccc(C)cc2)C(=O)C(F)(F)F)cc1 100862415 SSRZYDDESXPBKT-ATVHPVEESA-N 377.362 4.704 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1 102605955 AXJYWPQPJMTSOS-JBCNATCCSA-N 377.484 4.997 30 40 GJEB Cc1c(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]3(C)C2=O)cnn1C 105543820 NZSLOBGOEKKDIY-WYRGVJBTSA-N 376.500 4.553 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N\OCc3ccccc3)c2C)c(C)c1 408933680 JYIVPGYZIMKZKE-OYKKKHCWSA-N 376.456 4.740 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C#N)C1 648119 SRYKARZXDXIHJC-CYBMUJFWSA-N 382.485 4.752 30 40 GJEB COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N 2216787 WSLZFWGFINOASN-UHFFFAOYSA-N 378.428 4.691 30 40 GJEB Cc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)c(C)c1 2314765 CCQYOJZRHPUUPK-UHFFFAOYSA-N 379.407 4.628 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc21 4485671 XKGPZOYQPHMJQW-GJZGRUSLSA-N 383.492 4.719 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 5324050 KBTTWEDCFAZBIT-YBFXNURJSA-N 379.401 4.661 30 40 GJEB CCOC(=O)c1sc(/N=C/c2cc(Cl)cc(Cl)c2O)c(C#N)c1C 5460542 ABWZKQGPIQNCBF-IFRROFPPSA-N 383.256 4.868 30 40 GJEB Cc1nn(C)cc1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 5697222 QSCIZHIRAXFDOO-RLLOIMKQSA-N 390.531 4.765 30 40 GJEB C=CCn1c(SCc2cn3c(C)cccc3n2)nc2sc(C)c(C)c2c1=O 8656854 BTNZCLYRHAPRIU-UHFFFAOYSA-N 396.541 4.509 30 40 GJEB CSC1=N[C@H](c2cccc([N+](=O)[O-])c2)C(C(C)=O)=C(C)N1c1ccccc1 408730173 FXODWQGGVNJDQH-LJQANCHMSA-N 381.457 4.738 30 40 GJEB CC(C)(C)[C@]1(C#N)C(=O)[C@@H]2[C@@H]3[C@H](C[C@@H]21)C(=O)C3(c1ccccc1)c1ccccc1 607706742 UNYWJAWKTWOICU-SQDATOHTSA-N 383.491 4.563 30 40 GJEB C=C1[C@@H](C(=O)Nc2c(C)cccc2CC)[C@@H]1C(=O)Nc1c(C)cccc1CC 858495 QCGXXYLFUGPRCZ-WOJBJXKFSA-N 376.500 4.808 30 40 GJEB O=C(N=C1C=C(Cl)C(=NC(=O)c2ccccc2)C(Cl)=C1)c1ccccc1 939790 IYRHBCMPHGNBEW-UHFFFAOYSA-N 383.234 4.808 30 40 GJEB CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(F)cc2)c(=O)c1C#N 1388940 OENLLVRDFYEBSP-UHFFFAOYSA-N 384.863 4.950 30 40 GJEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)cc1OC 1840079 YJAXTXZDKYKQAO-XDHOZWIPSA-N 382.485 4.602 30 40 GJEB CCOC(=O)c1sc(N/N=C/c2ccccc2OCc2ccccc2)nc1C 3959065 SAIHHIAREVOTMY-LPYMAVHISA-N 395.484 4.653 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 4189141 SFSJUPHOHNFSES-ZQBYOIRZSA-N 396.874 4.571 30 40 GJEB C=CCn1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c2ccccc21 59106007 QDNMLSBTBPOSRA-XDHOZWIPSA-N 377.444 4.858 30 40 GJEB C#CCN(Cc1ccco1)C(=O)Nc1ccc(OCc2ccco2)c(Cl)c1 72280252 PFDMSEWSJKWACL-UHFFFAOYSA-N 384.819 4.772 30 40 GJEB COc1cc(/N=C2\N=C(O)S\C2=C/c2cccc3cccnc23)cc(OC)c1 72401949 KFIXQYVIDHDRDV-NVMNQCDNSA-N 391.452 4.984 30 40 GJEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Br)cc1 409092423 XYCBEGWZVVKKMR-FYJGNVAPSA-N 389.293 4.817 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@H]4c4cccnc4)[C@H]3C[C@@H]12 3999114 BQQBCCCZBJNJIU-UKJNNRTMSA-N 394.559 4.923 30 40 GJEB biogenic COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 13681592 DJWSVTKDCXLXPE-JLIDKRJHSA-N 378.424 4.819 30 40 GJEB Clc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1 15658670 UFRLNPZBGTZJEO-UUYOSTAYSA-N 382.722 4.799 30 40 GJEB C=CCn1cc(CN2CCN(Cc3ccccc3F)C[C@H]2C)c2ccccc21 57731473 UUWKZDMNRYJPFN-LJQANCHMSA-N 377.507 4.673 30 40 GJEB CCCCCCC[C@]1(C)NC(=O)N(Cc2nc(-c3ccccc3)oc2C)C1=O 102727677 IISSJMMHSMJBRE-QFIPXVFZSA-N 383.492 4.821 30 40 GJEB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253508566 WEMMMOPGBRUKBZ-URPAJYLOSA-N 392.543 4.823 30 40 GJEB COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)c1 408910089 JCDZGPAGVAIMFH-UHFFFAOYSA-N 399.446 4.652 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2CC(C)C)cc1 408916614 YMUJZWLCYNSIPS-YIUZENNJSA-N 394.496 4.984 30 40 GJEB Cc1sc(NC(=O)CSc2ncnc3sc(C)c(C)c23)c(C#N)c1C 4130127 GXCODXHUQVLVDS-UHFFFAOYSA-N 388.543 4.589 30 40 GJEB COCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12 5248848 RJFWEMRVUJQHNO-UHFFFAOYSA-N 384.483 4.625 30 40 GJEB N#Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c(Cl)c1 7858043 KERDUYZZTKCRNJ-HXUWFJFHSA-N 382.872 4.558 30 40 GJEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 8371914 FGGYAHKNUYBYKA-HZHRSRAPSA-N 395.480 4.830 30 40 GJEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OC(C)C 20763297 YOQYRFLALOYHNC-WSDLNYQXSA-N 376.884 4.658 30 40 GJEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccccc2CC)c1=O 28537466 PWTVQMIVTQLZJQ-UHFFFAOYSA-N 396.491 4.562 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 35290828 WNLSMLQCYXGUAQ-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB C=CCOc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 80346245 QRLBJKUJDJCVPP-UHFFFAOYSA-N 392.528 4.885 30 40 GJEB Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3c(C)cc(C)cc3C)C(=O)N2C)c1 101650916 VARJAKQBWSAQFY-CCWVLBSLSA-N 395.528 4.510 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(F)cc1 4182010 LSGZDZKSWMKQJQ-SGNDLWITSA-N 395.474 4.533 30 40 GJEB COc1cccc(/C=N/c2ccccc2/N=C/c2cccc(OC)c2O)c1O 5514874 GBJBSTFZIROWFW-RNIAWFEPSA-N 376.412 4.616 30 40 GJEB Cc1cc(C(=O)O)ccc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 5577960 XSFLMEWYPRGAGU-ZMOGYAJESA-N 389.407 4.721 30 40 GJEB COc1ccc(-n2cccc2/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 5658319 ZOWLCKKQGGPNDZ-CPNJWEJPSA-N 393.443 4.517 30 40 GJEB O=[N+]([O-])c1cc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)ccc1Cl 16525086 UQBFWCKYLUKQKX-JMIUGGIZSA-N 381.779 4.831 30 40 GJEB CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-] 65739281 LEVQJDOMLLWGPV-UHFFFAOYSA-N 386.770 4.949 30 40 GJEB in-vitro Cc1cccc(NC(=O)/C(=N/Nc2ccc(Cl)cc2)C(=O)c2ccccc2)c1 102939966 CUKQZMDAFRWUBL-LHLOQNFPSA-N 391.858 4.938 30 40 GJEB CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2)cc1 103754364 OIGQAZAWPWMJQS-HZHRSRAPSA-N 385.427 4.726 30 40 GJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)o1 408961522 MVOQZVMWAMJIOD-VROXFSQNSA-N 389.333 4.813 30 40 GJEB CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1Br 980672 UPWCOHBHIMDMPU-UHFFFAOYSA-N 391.648 4.964 30 40 GJEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc(Cl)c(C(=O)O)c1 4933152 KWAMLKJCMIPJPG-UFFVCSGVSA-N 389.242 4.632 30 40 GJEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 5201235 GKPQKDCKSSZERD-YTFSRNRJSA-N 397.902 4.739 30 40 GJEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccncc1)n1c(nc3ccccc31)N2 7496163 VJUNCINGMRSGAV-HOYKHHGWSA-N 392.462 4.847 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 16214829 INLHSTYKSHXVNS-UYRXBGFRSA-N 397.521 4.661 30 40 GJEB O=C1CCCC2=C1[C@H](c1cccc(Br)c1)c1cc3c(cc1N2)OCO3 18196746 FFXZGWOCBZLPBQ-LJQANCHMSA-N 398.256 4.742 30 40 GJEB Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 20734237 JEFKPYRKGZMBSC-MPBGBICISA-N 378.453 4.708 30 40 GJEB C/C(=N\Nc1oc(C(C)(C)C)nc1C#N)c1ccc(N2CCCCC2)c(F)c1 96291699 GVICVCXFOSSZTB-AFUMVMLFSA-N 383.471 4.809 30 40 GJEB CC(C)c1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1)C(=O)N2C1CSC1 223728127 LFQWFMLGZDLGLQ-NMWGTECJSA-N 385.920 4.742 30 40 GJEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1Cl 247703149 BDTCNFUDUFOGAU-LJQANCHMSA-N 390.826 4.946 30 40 GJEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)o1 409385935 OQWYWUHJNUGBAC-FSJBWODESA-N 379.412 4.933 30 40 GJEB N#Cc1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCCC2 995065 WFGFDUGXTHRNGB-UHFFFAOYSA-N 375.291 4.903 30 40 GJEB C=CCN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccccc1 36447632 AYZPZFJHVQNWKO-QFIPXVFZSA-N 394.565 4.976 30 40 GJEB C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCSc2c(F)cccc21 63402241 PIFZPGAPOYXJTG-IBGZPJMESA-N 381.476 4.632 30 40 GJEB CCCC(NCCc1c(C)[nH]c2ccc(C)cc12)=C1C(=O)CC(C)(C)CC1=O 100140039 YVVLHKUNBMLENZ-UHFFFAOYSA-N 380.532 4.929 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(O)cc1 100505580 NWZHWVRIMZLQIS-KAXIZBKFSA-N 397.525 4.776 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)S2)c(C)c1 408808036 CVBISFICPROYRV-UDWIEESQSA-N 375.497 4.995 30 40 GJEB COC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CCCC2 671852 YNRAOSRCZAIVIT-DJKKODMXSA-N 394.290 4.632 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(F)cc1 2227946 FAOFNMSHRKFSTI-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB Cc1ccc(C(=O)NC(Nc2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1 2322881 LWSKNAIQUYROMP-UHFFFAOYSA-N 394.290 4.797 30 40 GJEB Cc1c(O)ccc(/C=N/Nc2nc(-c3ccccc3F)nc3ccccc23)c1O 5033886 UCLNYNQTRZUMDC-WYMPLXKRSA-N 388.402 4.602 30 40 GJEB O=C1COc2ccc(C(=O)/C=C/c3csc(-c4ccc(Cl)cc4)n3)cc2N1 7333706 FDLXFONURFHGHC-VOTSOKGWSA-N 396.855 4.691 30 40 GJEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 13997613 QRDMAQXEDNAHLY-UHFFFAOYSA-N 399.903 4.940 30 40 GJEB CC[C@H]1S/C(=N/c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=S 18058208 BVPHTUQUZQSBLQ-VRTBNJGNSA-N 390.555 4.526 30 40 GJEB Cc1ccc(C)c2c1/C(=N/O)C(=O)N2CCCOc1ccc(C(C)(C)C)cc1 46085169 ZMDGRRJXIQJKGN-GFMRDNFCSA-N 380.488 4.595 30 40 GJEB CC1(C)CC(=O)C([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(F)cc2)C(=O)C1 100007468 ZQYZRTIMBYSWRU-IBGZPJMESA-N 386.463 4.685 30 40 GJEB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc21 198075877 ZDNKCJUOZVAGEU-UPMNJHNBSA-N 377.532 4.996 30 40 GJEB C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OCC 408531949 MXCBLZHNUOCODU-UHFFFAOYSA-N 376.250 4.665 30 40 GJEB CSC1=N[C@@H](c2ccc3c(c2)OCO3)C(C(C)=O)=C(C)N1c1ccccc1 408729000 ADZBEHXKFGTTEB-FQEVSTJZSA-N 380.469 4.559 30 40 GJEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OC)c(C)c2)C1=O 409003348 SBRUOVHAIZYKQK-AQTBWJFISA-N 395.480 4.547 30 40 GJEB N#Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)o2)cc1 409024693 ULWASLAGJCROIB-ODLFYWEKSA-N 389.411 4.849 30 40 GJEB Cc1cccc(C(=O)Nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)c1 3042674 OFERDMNFNVTXFI-LPYMAVHISA-N 375.384 4.612 30 40 GJEB Cc1cccn2c(=O)c(/C=N/c3cccc(Cl)c3)c(NCc3ccco3)nc12 5192441 KNLCDVUVNJVOKS-YDZHTSKRSA-N 392.846 4.612 30 40 GJEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1ccc([N+](=O)[O-])cc1 5338513 MUGWQKBCUKLVIT-UHFFFAOYSA-N 375.409 4.503 30 40 GJEB C/C(=N/OC(=O)NC1CCCCC1)C(C)(C)NC(=O)Nc1ccc(Cl)cc1 5341878 KZFDGWPZVXUMSO-CFRMEGHHSA-N 394.903 4.675 30 40 GJEB CC[C@@H]1CS/C(=N\c2ccccc2)N1C(=O)c1cc(OC)c(C)c(OC)c1 6111796 SMEZZRQZKBSVMD-KTVWJZFRSA-N 384.501 4.668 30 40 GJEB Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)cc1 6233985 JHKWJMLYFMCMKL-OAQYLSRUSA-N 387.410 4.917 30 40 GJEB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccccc1C#N 6272941 CPNDEBHCRRTBFF-UHFFFAOYSA-N 380.513 4.553 30 40 GJEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 6885945 FJXLIHAWHSAIDO-JQIJEIRASA-N 399.406 4.700 30 40 GJEB COc1ccc(/C=C/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 8207941 KVHWXMZGUPLIDM-CJWOJCOVSA-N 381.435 4.619 30 40 GJEB Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 20734229 JEFKPYRKGZMBSC-FKIZINRSSA-N 378.453 4.708 30 40 GJEB CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 97466960 AICYTJIJZLMJSJ-BBNBJWFKSA-N 388.876 4.678 30 40 GJEB O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N\Cc1ccco1 105505643 JKXCYKKYLFKDBH-QFEZKATASA-N 395.418 4.858 30 40 GJEB C=CCOc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260732819 BQUAQXWXSGMRGU-SFHVURJKSA-N 395.572 4.974 30 40 GJEB COC(=O)c1ccc(Cn2cc(/C=N/c3cccc(OC)c3)c3ccccc32)o1 409392418 MKOODLLPWOYRIT-ZMOGYAJESA-N 388.423 4.828 30 40 GJEB Oc1cccc(NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1083811839 WYISXSZHEUHGRC-UHFFFAOYSA-N 391.180 4.908 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(N(CC)CC)cc1 4061033 QCEMVYNWWFXSDK-DENIHFKCSA-N 397.540 4.914 30 40 GJEB C=C(C)[C@@H]1CC=C[C@H](COc2ccc3ccc(=O)oc3c2)[C@@]1(C)CCC(=O)O 4081355 UKEZTZMPUHUTIW-HFJQGTKSSA-N 382.456 4.811 30 40 GJEB biogenic O=[N+]([O-])c1cccc(/C(O)=N/c2nnc(SCc3ccccc3F)s2)c1 16946073 MGLKEKWNOYNALQ-UHFFFAOYSA-N 390.421 4.514 30 40 GJEB COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc(F)cc1 18101975 DVMRNCHNWCMWFX-XPUQUNOQSA-N 378.447 4.651 30 40 GJEB COc1ccccc1N1C(=O)C[C@H](c2ccccc2OCc2ccccc2)[C@H]1C#N 26896007 MLLBHDDXLGJDOP-IFMALSPDSA-N 398.462 4.687 30 40 GJEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)c1ccc2c(c1)CCCC2 27300591 XPKRKSAQDFLTBD-UHFFFAOYSA-N 391.922 4.804 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1ccc(F)cc1 36253945 CTQNQQXHGVSIMX-UHFFFAOYSA-N 376.456 4.821 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 102798680 GVFRHVZITWAXHK-NHFXJNLRSA-N 381.447 4.828 30 40 GJEB O=C1C=CC2=[N+]([O-])C(c3ccccc3)(c3ccccc3)/C(=N/c3ccccc3)C2=C1 104280612 AYZXZPXOQBNTBL-IMVLJIQESA-N 390.442 4.733 30 40 GJEB Cc1cc(N/N=C2\C(=O)Nc3c2cccc3C(F)(F)F)ccc1Br 223741908 JFWZVLCJLYEAGT-UHFFFAOYSA-N 398.182 4.545 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(Br)cc1 5551198 SDQGEWCWIWTBGN-ZROIWOOFSA-N 393.693 4.994 30 40 GJEB Cc1cc(SCC(=O)NC2CCCCCC2)n2c(nc3ccccc32)c1C#N 6651333 CPWURQUGKFSUDU-UHFFFAOYSA-N 392.528 4.599 30 40 GJEB C#CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC 9197337 IWGLLCCCFZLCOQ-WSDLNYQXSA-N 377.271 4.528 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2OC)C(=O)N1C 38361074 BQANVDHWLJTLIF-DLTWUOELSA-N 382.485 4.500 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 71785069 OXIQPAHQNCLVTM-RAQONCDXSA-N 376.500 4.727 30 40 GJEB COc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 3187806 MLTWXAILTUTITQ-UHFFFAOYSA-N 395.910 4.714 30 40 GJEB CCOc1ccc(NC(=O)c2c(/N=C/c3cccn3C)sc3c2CCC3)cc1 4545640 QAEWVPBMOFARKZ-OEAKJJBVSA-N 393.512 4.977 30 40 GJEB Cc1ccc(N/N=C/c2cc(Br)c(O)c(Br)c2)c(C)c1 4923240 GBAXKINVBXYVAJ-QGMBQPNBSA-N 398.098 4.980 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5007509 ZAENKOXOWVUOOH-LDADJPATSA-N 391.408 4.746 30 40 GJEB COc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OC(=O)c1ccco1 33930959 SJAAECFTDVHRKX-MTJSOVHGSA-N 393.424 4.563 30 40 GJEB O=C(/C=C1\NC2(CCCCC2)Cc2ccccc21)/C(O)=C/C(=O)c1ccccc1 100075388 GRTQNZZQNTVPFU-DNIYECPYSA-N 387.479 4.770 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2C)NC1=O 408960851 OTMXYPHBKYOJMY-ZHZULCJRSA-N 377.513 4.795 30 40 GJEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3ccc4[nH]ccc4c3)n2)cn1 585295293 TXUOQTIJNGHNFR-HSZRJFAPSA-N 394.482 4.910 30 40 GJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Oc3cc4c(cc32)OCO4)cc1 636355 XQKQCHPFTWCONS-OAQYLSRUSA-N 378.424 4.591 30 40 GJEB COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2c(C)cc(C)cc2nc1Cl 883106 JFRHERUJOVYVNL-INIZCTEOSA-N 393.874 4.835 30 40 GJEB CCCN(CCC)c1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1 3207814 FVICKMMHSXZMOQ-CJLVFECKSA-N 379.533 4.742 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 12970176 RVYKDIHUSQYUJY-NRFANRHFSA-N 387.410 4.917 30 40 GJEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 51366950 OXQUGQKLUWCXPA-MQBMHJJESA-N 383.492 4.768 30 40 GJEB N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 78947393 YUGYIXSVRKEQNS-MSOLQXFVSA-N 387.252 4.500 30 40 GJEB Cc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(F)cc1 409050254 SXOKIYDUFZJXGK-ZNLRHDTNSA-N 399.285 4.947 30 40 GJEB COc1ccc(/N=C/c2cc(Br)c(OC)c(Br)c2)cc1 5513506 VJBDGYSZBJLVFF-GIJQJNRQSA-N 399.082 4.979 30 40 GJEB COc1ccccc1CN/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)o1 20762433 WGADSSINAFBHIZ-MFKUBSTISA-N 386.455 4.573 30 40 GJEB CCOC(=O)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 59302559 VEUHXTIPURLXAD-UDWIEESQSA-N 391.265 4.570 30 40 GJEB CCCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(OCC)cc1 100259765 QRPSNCOEJMFHBP-GKVQKNEHSA-N 382.485 4.805 30 40 GJEB O=C1C(=O)N(c2ccc(Cl)cc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 100439794 VHQZNAAKDNUXSH-YDJIHCHBSA-N 389.838 4.966 30 40 GJEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)c1O 102417534 RNDCTJUANMOYGP-WSDLNYQXSA-N 389.367 4.868 30 40 GJEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccccc1Cl 102663245 NYEMQGBCWFPTIT-LYBHJNIJSA-N 382.250 4.791 30 40 GJEB C#CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344693 UJKCBONOECHLLH-UHFFFAOYSA-N 379.630 4.980 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1cc(C)ccc1C 408906318 IHWMXKXIBZOKFW-FOLIBTTPSA-N 382.485 4.642 30 40 GJEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(C#N)cc3)c3ccccc32)o1 409393687 RZFPBWYDNVBDKP-DHRITJCHSA-N 383.407 4.691 30 40 GJEB C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)CCCCC4)c1ccccc1 1297258 PYNOHBTWPLEGPQ-QFEZKATASA-N 391.500 4.549 30 40 GJEB Oc1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4478004 BSYBBNJIDIHKLT-HZHRSRAPSA-N 397.442 4.510 30 40 GJEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(OC)c2ccccc12 7353078 OUOXGKOYTUYEMK-PKNBQFBNSA-N 378.424 4.770 30 40 GJEB CCc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)n2)cc1 32942942 MOJQSQYXUVCCEU-CQSZACIVSA-N 377.469 4.650 30 40 GJEB N=C1S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)[C@@H]1c1nccs1 33664699 QUEKEHPZOVULRU-MRLXPSEMSA-N 396.449 4.519 30 40 GJEB COc1ccccc1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N 35288893 NQRPPVXCQJPHRN-UHFFFAOYSA-N 391.496 4.969 30 40 GJEB C=CCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 35475978 QXPFVZNZPUONRV-UHFFFAOYSA-N 392.839 4.565 30 40 GJEB Oc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103550378 VQRKSWKQONXOSI-UHFFFAOYSA-N 392.164 4.875 30 40 GJEB COc1cc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)ccc1O 408750268 YXQXWJBBQAOTHK-VIZOYTHASA-N 395.267 4.599 30 40 GJEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(F)c1 408931503 MKXRZGKDCVEDCF-PCLIKHOPSA-N 377.463 4.820 30 40 GJEB Cc1ccc(Oc2ccc(/N=C/c3cn(CC(N)=O)c4ccccc34)cc2)cc1 409387073 ZHJILIJVNMWPAA-VULFUBBASA-N 383.451 4.978 30 40 GJEB CCOc1cc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)ccc1O 5551287 OUVHMJPSHYSPSW-NDENLUEZSA-N 390.464 4.836 30 40 GJEB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O[C@H](C)C#N)cc1 6586777 MPQDYPMQZAVKAZ-OVGFGYAMSA-N 384.435 4.799 30 40 GJEB COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OC 8368526 ZCVVXVYWCABRQF-VXLYETTFSA-N 395.240 4.676 30 40 GJEB N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1CN1CCCC1 8389336 WJWXTMGADGMFOM-UHFFFAOYSA-N 395.506 4.751 30 40 GJEB C(=N/Nc1nnc(N/N=C/c2ccsc2)c2ccccc12)\c1ccsc1 16525487 QXFBLFXRZRKDTR-LQGKIZFRSA-N 378.486 4.645 30 40 GJEB COc1cccc(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c1 26128766 ISRDVAKIDFJVLI-QGZVFWFLSA-N 380.494 4.787 30 40 GJEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1 59417081 RANBQLGTWHFMQN-YDZHTSKRSA-N 390.830 4.882 30 40 GJEB O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)NCc1ccccc1 100397909 JPWXOJIJQDUQJJ-OYKKKHCWSA-N 378.859 4.786 30 40 GJEB CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1OC 408914305 NTWBVKFOMSRXSK-QNQNADBQSA-N 396.512 4.890 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(C(C)C)c3C)S2)cc1 408952800 MYDCQXOCPXNSQT-XDHOZWIPSA-N 383.517 4.976 30 40 GJEB Cc1cc2c(cc1/C=C1\SC(=Nc3cccc(Cl)c3C)NC1=O)OCO2 408987676 GICABHJNJARXGQ-IUXPMGMMSA-N 386.860 4.577 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(OCC(=O)O)c3)c2C#N)C1 409081041 JIZGDNUVLWIHNM-ZIFAQYRBSA-N 396.512 4.985 30 40 GJEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 2098021 VDOGGLDENLLZGP-MTJSOVHGSA-N 390.391 4.570 30 40 GJEB biogenic COc1cc(/C=N/CCc2ccccc2)ccc1OCc1ccc(Cl)nc1 4089578 PYLQARSNMBTOPT-ZVHZXABRSA-N 380.875 4.984 30 40 GJEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(C)cc1 4331412 PLOZOFSCVOZJAH-INIZCTEOSA-N 394.544 4.680 30 40 GJEB N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)cc1 5264941 GBZJIVICPBCQKK-UHFFFAOYSA-N 388.427 4.549 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1F 6282026 PSBJBGCGEBNPDA-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccccc1OC 12552778 HHSHTZCHVCPRCU-ZDUSSCGKSA-N 399.520 4.674 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C(\N=N/c2ccccc2)c2ccc([N+](=O)[O-])o2)cc1 13477881 GJNUUPUZKFKPSG-WACMOMJXSA-N 380.320 4.654 30 40 GJEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@H]2c2ccccc2)cc1 16741467 VYQIRXRWLJVZFB-NRFANRHFSA-N 391.467 4.630 30 40 GJEB C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 225696444 ACNYDHZQVQDJHJ-KRWDZBQOSA-N 381.545 4.899 30 40 GJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\Cc3ccc(OC)cc3)c2C)cc1 408776469 OLOHHPMAKRDWBV-XYGWBWBKSA-N 390.483 4.899 30 40 GJEB C#CCSc1nc2c(c(=O)n1CC(C)C)C1(CCCC1)Cc1ccccc1-2 2247442 KAYKPXCPBAMVRE-UHFFFAOYSA-N 378.541 4.660 30 40 GJEB CCCCCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3109393 NYHFDBSPAZHDBU-UHFFFAOYSA-N 384.432 4.974 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 4849028 UXDTYBYYASESGB-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1C 6647691 GBZQTNSCVHLQSR-UHFFFAOYSA-N 380.498 4.571 30 40 GJEB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 8559753 VUQGLTCKZSOYSR-IIBYNOLFSA-N 390.874 4.656 30 40 GJEB CCC(CC)N1C/C(=C/c2cccc(O)c2)C(=O)/C(=C/c2cccc(O)c2)C1 58264014 MYXABJKGMCJTEV-UHWBUFEVSA-N 377.484 4.638 30 40 GJEB O=[N+]([O-])c1cc(OC(F)(F)C(F)(F)F)ccc1OC(F)(F)C(F)(F)F 68590891 BIMDRNPVEWWCMJ-UHFFFAOYSA-N 391.117 4.663 30 40 GJEB biogenic COc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 100349841 CRABHZGEXIZLRU-SAHIIKMKSA-N 388.467 4.702 30 40 GJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1C 4849104 HUPTUAGFDKMKIK-UHFFFAOYSA-N 382.514 4.527 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(CC)cc1 4919231 IOLZPMSLGGJZPA-GMAHTHKFSA-N 378.468 4.577 30 40 GJEB CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2c(Cl)cccc2Cl)cc1 5795421 NBDSAUWCXMIRFW-KEBDBYFISA-N 392.315 4.863 30 40 GJEB COc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1ccccc1C#N 6229844 NJEAQHZTKIDIAA-UHFFFAOYSA-N 386.904 4.571 30 40 GJEB N#Cc1c(NC(=O)CCN[C@@H]2CCCc3ccccc32)sc2c1CCCCC2 6510195 JSLAMBISHPPJAL-HXUWFJFHSA-N 393.556 4.884 30 40 GJEB N#Cc1ccccc1OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 6590873 XGYHMQFUWSIJJW-HXUWFJFHSA-N 386.476 4.817 30 40 GJEB CCOc1cc(/C=N/c2ccccc2)cc(I)c1OCC 6959713 RIDVRXXVHFMXED-XDHOZWIPSA-N 395.240 4.839 30 40 GJEB CCc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 7794844 WDLHSMDJSISYGG-UHFFFAOYSA-N 380.498 4.517 30 40 GJEB Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 20724625 YCDKFTRVRHGDJY-KUHUBIRLSA-N 378.453 4.708 30 40 GJEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC 409075366 XMYAGBHQVQUHIV-SSDVNMTOSA-N 397.353 4.857 30 40 GJEB CCOc1ccc(-c2csc(/C(C#N)=N/Nc3ccccc3OC)n2)cc1 4175354 QGHUNNPQSQBMFM-JJIBRWJFSA-N 378.457 4.557 30 40 GJEB O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cl)ccc2O)c(C(F)(F)F)c1 4688187 LPJWLWJWKNNECG-ZVBGSRNCSA-N 387.745 4.504 30 40 GJEB O=[N+]([O-])c1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl 5446579 IGAJDEQHQBFGCS-FBCYGCLPSA-N 388.689 4.621 30 40 GJEB Cc1ccc(-n2c(S[C@H](C)C#N)nc3sc4c(c3c2=O)CCCC4)cc1 6056920 FZZABIKTAMQBNI-CYBMUJFWSA-N 381.526 4.639 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(C)cc2)nnc1-c1ccccc1OC 6076772 CMVZWWRUZGCRDL-INIZCTEOSA-N 393.512 4.812 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 18042402 RVXLRFFADANDKP-QFIPXVFZSA-N 390.458 4.741 30 40 GJEB C=CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39762154 OSTYWAWHMOCSHW-UHFFFAOYSA-N 384.907 4.756 30 40 GJEB CN(C)/C=N/C(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1 100459472 OCQVAMHRNGYEFE-AUEPDCJTSA-N 377.391 4.712 30 40 GJEB Cc1cccc(CSc2nc(N)c(C#N)c(Cc3ccc(Cl)cc3)n2)c1 223668959 MFQMVXDOUXYADF-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408854684 AAOYMQOZOCOKPU-YSURURNPSA-N 398.365 4.519 30 40 GJEB C=CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CCCC)C1=O 409055838 BKHPRZWLMYKMRB-PTNGSMBKSA-N 396.306 4.850 30 40 GJEB Cc1sc(NS(=O)(=O)c2cccc3cccc(Cl)c23)c(C#N)c1C 409110459 CFPJEFSPQWTFQX-UHFFFAOYSA-N 376.890 4.844 30 40 GJEB C=C1C[C@](COc2ccc3c(C)c(Cl)c(=O)oc3c2)(c2ccccc2)OC1=O 1642830 YWRGWWAGFKXEDU-QFIPXVFZSA-N 396.826 4.532 30 40 GJEB COc1ccccc1-n1c(C)cc(/C=N/N=c2/[nH]c3ccccc3s2)c1C 1859447 BGBTYIHGVHLKJH-LPYMAVHISA-N 376.485 4.580 30 40 GJEB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(C#N)cc3)c3ccccc3C2=O)cc1C 3414912 HUICDYHXLXJBJL-HAHDFKILSA-N 393.446 4.815 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 6691024 ZGFIBLMBTZKVQS-HXUWFJFHSA-N 391.398 4.506 30 40 GJEB O=[N+]([O-])c1ccccc1OCc1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118970 NYNRETVCSKJPMY-WSDLNYQXSA-N 385.807 4.544 30 40 GJEB CCc1ccc(N(C(C)=O)c2nc(COc3ccc(C#N)cc3)cs2)cc1 12984388 QJDATSNYYCULBJ-UHFFFAOYSA-N 377.469 4.841 30 40 GJEB C[C@H](Nc1ccc(F)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 26998134 TWMJOMSOUJPIJY-NSHDSACASA-N 375.444 4.606 30 40 GJEB Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)/N=C(\O)C(C)C)cc1 95093218 SHEZNOJEXCHKRT-UHFFFAOYSA-N 384.457 4.618 30 40 GJEB in-vitro O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3cccc(F)c3)cc2)c1 408595645 XNVUIQPGLVBVTM-YDZHTSKRSA-N 380.375 4.864 30 40 GJEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\c3c(C)cccc3C)N(C)C2=O)c1 1411613 UFTDIGUIGCVLPP-LWVPEANGSA-N 395.528 4.510 30 40 GJEB CCCCCCCCCS(=O)(=O)N/N=C/c1cc2ccccc2nc1Cl 2186517 LBFBGJUFNNTULW-RCCKNPSSSA-N 395.956 4.892 30 40 GJEB O=C(CON=C1c2ccccc2-c2ccccc21)N[C@@H]1CCCc2ccccc21 3311416 SNNPFNNDTDYQPJ-HSZRJFAPSA-N 382.463 4.630 30 40 GJEB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1C#N 3353487 VGYKJOOLHXSINW-VIFPVBQESA-N 385.798 4.745 30 40 GJEB COC(=O)Nc1sc(N/N=C/c2ccccc2OC)nc1-c1cccs1 8868421 NDPGUGLLFPXUBI-VCHYOVAHSA-N 388.474 4.505 30 40 GJEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1Cl 16995944 YSMYZLOGZSIYAB-SPLOXXLWSA-N 390.874 4.656 30 40 GJEB CN(C/C(O)=N/c1nc(-c2ccc(F)c(F)c2)cs1)Cc1ccccc1F 21601391 OOOMECUJGHZJEA-UHFFFAOYSA-N 391.418 4.947 30 40 GJEB N#Cc1ccc(COCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 77191705 GUKQZZYGNCYASH-UHFFFAOYSA-N 383.879 4.672 30 40 GJEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 96234454 ZUNCZLGQSMEVDE-UHFFFAOYSA-N 379.485 4.595 30 40 GJEB C/C(O)=C1/C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1 101152703 VFLDLJYWTYHGHT-IZNAZMGOSA-N 395.764 4.848 30 40 GJEB N#Cc1ccc(OCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 6553402 XTQFGBZBCJVVGT-UHFFFAOYSA-N 399.475 4.776 30 40 GJEB N#Cc1cccnc1Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 12522655 HALZJOHCDUAKEZ-UHFFFAOYSA-N 387.443 4.550 30 40 GJEB S=C(N/N=C1\CSCc2ccccc21)Nc1cc(Cl)ccc1Cl 17731245 OKPZXTHUHQGQKA-HMMYKYKNSA-N 382.341 4.931 30 40 GJEB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1F)C1=C(CCCC1=O)O2 18196568 ZMZCUUKGBIDUHY-QFIPXVFZSA-N 388.442 4.910 30 40 GJEB CN(/N=C/C(/C=N/Nc1ccccc1)=N/N(C)c1ccccc1)c1ccccc1 100954983 YKJBLFNLWXENGX-HGJJJYCWSA-N 384.487 4.699 30 40 GJEB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@@]12C 253499230 ZNSPUNVBZGKQFL-ATGSCPLASA-N 386.576 4.897 30 40 GJEB biogenic C=CCn1c(CCCC)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 408561044 WOCQADBQDYEYIZ-UHFFFAOYSA-N 399.347 4.844 30 40 GJEB CCCCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409034533 HULVNQPGEZEZHP-AQHIEDMUSA-N 390.299 4.588 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@](C)(CC)OC3 2318418 LIWURRRUKBIOHM-OAQYLSRUSA-N 398.553 4.967 30 40 GJEB C=CCOc1ccc(C(=O)N[C@H](c2ccccc2)c2cccs2)cc1OC 12784153 HNENTXWOHZFXGB-OAQYLSRUSA-N 379.481 4.841 30 40 GJEB Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(C#CC(C)(C)O)cc2)nc1 19215482 DIZHTOKAJSMUCQ-HSZRJFAPSA-N 390.552 4.648 30 40 GJEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)ccc1OC 38361075 LJHQAHYUBHCSQN-QNQNADBQSA-N 396.512 4.890 30 40 GJEB C#CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1 58003832 VEUFNDXGZCZXGZ-UHFFFAOYSA-N 398.890 4.807 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(F)c1 408623994 WFRSTTWELADMKC-UHFFFAOYSA-N 375.334 4.897 30 40 GJEB Cc1c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc2n1C 1531385543 VGJGDNKUOOHRMK-WGOQTCKBSA-N 392.462 4.746 30 40 GJEB COc1ccc([C@@H](CC#N)[C@H](C#N)c2ccc(Br)cc2)cc1OC 1084375 FUELQXDQMHQJGY-IAGOWNOFSA-N 385.261 4.771 30 40 GJEB N#Cc1ccccc1[S@@](=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1 1382442 ZBCWGMVLNWXBFL-SANMLTNESA-N 380.856 4.631 30 40 GJEB CCOC(=O)CSc1nc2c(c(-c3ccccc3Cl)c1C#N)CCCC2 2360348 PMLTYYBJOUBFOM-UHFFFAOYSA-N 386.904 4.808 30 40 GJEB CCCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 4106410 SFKSPMHVKMOVIH-KRWDZBQOSA-N 386.496 4.577 30 40 GJEB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C#N)s2)c1 8091091 XHDYCKSENIGBKT-ZDUSSCGKSA-N 395.513 4.581 30 40 GJEB CCc1cccc2c(/C=C3\S/C(=N\c4ccc(OC)cc4)N(C)C3=O)c[nH]c12 19860367 JBCKYERQAZVLTA-WRANEOQNSA-N 391.496 4.973 30 40 GJEB C=CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 30940497 YFKZBWADHKERKI-SFHVURJKSA-N 384.907 4.756 30 40 GJEB Cc1csc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)n1 35288890 XDHGXYAMUZUIGY-UHFFFAOYSA-N 382.514 4.726 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(F)c1 102565356 WAKJSDFXPQAWKO-NHFXJNLRSA-N 381.447 4.828 30 40 GJEB Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=Cc1c[nH]c2ccccc12 245242070 YHDBPFUDRUIJQK-UHFFFAOYSA-N 388.283 4.904 30 40 GJEB COc1ccc(OC)c(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 408735334 NENFCLDXNYMQEE-GFXGDVFHSA-N 396.262 4.725 30 40 GJEB COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)c(C)c1 408861926 BUTUIVAYTIYFFI-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)o1 702754 VIVXHCAMNMMZOQ-GOSISDBHSA-N 397.814 4.613 30 40 GJEB N#Cc1c(/N=C/c2ccccc2I)sc2c1CCCC2 3088878 SBOZEJLRBLUKQC-VXLYETTFSA-N 392.265 4.854 30 40 GJEB Cc1cc(C)c2nc(SCC(=O)N3CCCc4ccccc43)c(C#N)cc2c1 4849143 MEWZIXROVMXVKI-UHFFFAOYSA-N 387.508 4.795 30 40 GJEB Cc1c(Cc2ccccc2)c(Nc2ncccn2)n2c(nc3ccccc32)c1C#N 5336433 NIAAIPCGPBAIII-UHFFFAOYSA-N 390.450 4.792 30 40 GJEB COc1ccccc1[C@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 13058633 HCDAUHHLGLDGTO-HNNXBMFYSA-N 397.544 4.577 30 40 GJEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1OC 20196177 KVCGEWWJVXTTNS-MFKUBSTISA-N 377.488 4.543 30 40 GJEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(Cl)cc1Cl 103440661 XNLIUJKIIMANAJ-LYBHJNIJSA-N 382.250 4.878 30 40 GJEB C=C(C)COc1cccc(C(=O)NCCSCc2ccc(Cl)cc2)c1 219777896 FNYHAJLOHLXNQT-UHFFFAOYSA-N 375.921 4.958 30 40 GJEB N#C[C@H](C(=O)COc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 2659749 YAGSZLFIPKVXDX-CYBMUJFWSA-N 376.359 4.570 30 40 GJEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1cccc(Br)c1 4680453 SPPPJEXGXLUVSZ-NVMNQCDNSA-N 393.697 4.532 30 40 GJEB CC1(C)Cc2c(C#N)c(OCc3ccccc3F)nc(-c3ccco3)c2CO1 12324429 RXSJHIBNIOXQSN-UHFFFAOYSA-N 378.403 4.783 30 40 GJEB C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OCC)cc1 13562279 QYKJYYOYKXHEAL-PGMHBOJBSA-N 389.451 4.519 30 40 GJEB N#Cc1ccc(-c2csc(NC(=O)CCc3ccc(OC(F)F)cc3)n2)cc1 32764387 DZANJBFZPKUMLF-UHFFFAOYSA-N 399.422 4.854 30 40 GJEB COc1cccc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)c1 225390496 OSOXKFFLOBSRMP-LSFURLLWSA-N 396.369 4.818 30 40 GJEB Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H](c4nncn4C(C)C)C3)c2c1 619792630 HQGNZJWTJVQPAW-OAHLLOKOSA-N 394.910 4.625 30 40 GJEB O=C(c1ccc(C(F)(F)F)cc1)N(/C=C/C(=O)C(F)(F)F)Cc1ccco1 2565158 KPHNKRMDDBDSSH-BQYQJAHWSA-N 391.267 4.586 30 40 GJEB C=CCn1c(NC(=O)c2ccc(Cl)cc2)c(C(=O)OCC)sc1=S 3193276 YULBAOHRUGBTSZ-UHFFFAOYSA-N 382.894 4.547 30 40 GJEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)cc1 4331414 PLOZOFSCVOZJAH-MRXNPFEDSA-N 394.544 4.680 30 40 GJEB COC(=O)c1ccc(N2[C@@]3(C#N)CCCC[C@@H]3C[C@H]3CCCC[C@@]32C#N)cc1 4733499 QFDDWPDUHMHVIP-DAVBRLECSA-N 377.488 4.588 30 40 GJEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 7777600 SAVMUBDJNITOCS-HNNXBMFYSA-N 393.874 4.931 30 40 GJEB N#C[C@H](C(=O)COc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2[nH]1 12575605 MLTMURQSFPWMSB-SECBINFHSA-N 394.645 4.778 30 40 GJEB CSc1nc(NC[C@@H]2CCCO2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820436 IGPXJCPZZIYUKR-INIZCTEOSA-N 382.533 4.626 30 40 GJEB O=C(CCSCc1ccccn1)Nc1cccc(C#Cc2cccs2)c1 40152603 CILUNFSSWGNSOZ-UHFFFAOYSA-N 378.522 4.805 30 40 GJEB Cc1nc2c(cc(OCC(=O)Nc3sccc3C#N)c3ccsc32)s1 57982730 LRAPYXSSKQLNLE-UHFFFAOYSA-N 385.495 4.770 30 40 GJEB N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCCC[C@H]2C#N)cc1 596696315 ZNBTXFULBGRPKT-RXVVDRJESA-N 388.471 4.536 30 40 GJEB Cc1c(/N=C/C=C(\Br)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1021284 PVIQNZMBWPSLLK-VXYIRXSZSA-N 396.288 4.623 30 40 GJEB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C#N)cc1 6585167 MPQDYPMQZAVKAZ-XOAFGZPJSA-N 384.435 4.799 30 40 GJEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1OCC 17167664 FGWOSQUHTJPIAZ-MPIQAULUSA-N 394.496 4.884 30 40 GJEB C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085691 GYIAYECISBKMCW-UHFFFAOYSA-N 393.512 4.784 30 40 GJEB C/C=C1\CN2CC[C@]34C(=C(/C=N/Nc5ccccc5)[C@H]1C[C@H]23)Nc1ccccc14 55065576 OJZNJHNPLYYHOW-UYYGVTAYSA-N 382.511 4.756 30 40 GJEB biogenic O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=C/C=C/c1ccco1 409277434 AHOFTBJDDNDTDM-TXCMASFXSA-N 381.391 4.950 30 40 GJEB CC(C)c1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccccc1 409290291 KVVAEDPPXJUWCQ-MZMJOOCESA-N 396.288 4.830 30 40 GJEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1[N+](=O)[O-] 4723700 SJVDPQMMSURCBJ-WOJGMQOQSA-N 397.456 4.502 30 40 GJEB CCCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1 5444814 QVWLOKVIYXNUAO-UFFVCSGVSA-N 383.326 4.554 30 40 GJEB C(=N/Nc1ncnc2scc(-c3ccccc3)c12)\c1ccc2nccnc2c1 5529090 FQEOPXHLZNQGDN-KBKYJPHKSA-N 382.452 4.748 30 40 GJEB C=CCn1c(C)nnc1S[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 53422624 OULRMZJTQJQEOV-HNNXBMFYSA-N 378.501 4.878 30 40 GJEB Cc1ccc(C)c(COc2nn(Cc3cccc4ccccc34)c(N)c2C#N)c1 225849089 GVYNADIUCKOZEC-UHFFFAOYSA-N 382.467 4.734 30 40 GJEB C[C@]12CC[C](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 1560403725 HKHDMYGNFYNAPW-LPPFXQTFSA-N 383.508 4.802 30 40 GJEB COC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N 668135 UUHRDNJNUGSKER-UHFFFAOYSA-N 390.464 4.561 30 40 GJEB N#Cc1c(NC(=O)c2ccc(Br)o2)sc2c1CCCCCC2 2738331 BATWUJPVIFTMJY-UHFFFAOYSA-N 379.279 4.887 30 40 GJEB CN(C)/C=C(\Sc1ccccc1)C(=O)/C(=C/N(C)C)Sc1ccccc1 3190002 UUDWLRDOQNBPJD-IKBKFCNISA-N 384.570 4.946 30 40 GJEB COc1cccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c1OC 4944911 PCJBWSDLWBEQSR-GOSISDBHSA-N 391.467 4.540 30 40 GJEB CCOc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1 6946067 YYNKSOUMUDENCG-LFYBBSHMSA-N 378.209 4.586 30 40 GJEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)c(F)c1 8783532 HYBNXAYDZFZQHA-UHFFFAOYSA-N 381.407 4.629 30 40 GJEB N#Cc1ccc(-c2cccnc2)nc1SCCCC(=O)c1ccc(F)cc1 12374839 GXJOWBZXNPNWRR-UHFFFAOYSA-N 377.444 4.910 30 40 GJEB CN(C)c1ccc([C@@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1 12552858 FIQKERYVENSXEY-OAQYLSRUSA-N 381.483 4.745 30 40 GJEB O=C(/C=C/c1ccco1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 32935059 CQXIGGQKJDKGOO-FMIVXFBMSA-N 387.844 4.630 30 40 GJEB COc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(C)cc3C)n2)cc1OC 33540864 VXINRKUPFGWNJA-KOEQRZSOSA-N 392.484 4.784 30 40 GJEB CCn1c(-c2ccc(Cl)cc2)nn(CN(CCC#N)CC(C)C)c1=S 57099852 YDRTXJKMWPKFQA-UHFFFAOYSA-N 377.945 4.584 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59249448 HWDKLPACMXIZCP-XDHOZWIPSA-N 385.221 4.594 30 40 GJEB O=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)F)cc1OC(F)(F)C(F)(F)F 68590894 CXYIGARKMANIQL-UHFFFAOYSA-N 391.117 4.663 30 40 GJEB biogenic CCCCCCCCOc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 97968965 DWEKWSAKQDDCFW-GHRIWEEISA-N 391.489 4.547 30 40 GJEB N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCCC[C@@H]3C#N)c2)cc1 596700637 PDNFHFIWFYLIHP-KNQAVFIVSA-N 388.471 4.536 30 40 GJEB N#CC1(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)CCCC1 2055745573 KVKBCZNNIYMDME-UHFFFAOYSA-N 385.511 4.782 30 40 GJEB C/C(=N/Nc1cc(-n2nc(C)cc2-c2ccccc2)ncn1)c1ccc(F)cc1 4952811 WZUUFEUWPPTPNZ-QQXSKIMKSA-N 386.434 4.613 30 40 GJEB C=CCSc1nnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)s1 6085026 VJERUODJFNHIHA-UHFFFAOYSA-N 391.562 4.911 30 40 GJEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)sc1C 6812802 REQXVCUVTMHPRL-MRXNPFEDSA-N 396.493 4.604 30 40 GJEB N#CC1(NC(=O)CSc2nc3ccccc3n2C2CCCCC2)CCCC1 9366893 RNKKKLGEGFIDER-UHFFFAOYSA-N 382.533 4.586 30 40 GJEB COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 19818178 AUQVRTOTXNQYRV-UHFFFAOYSA-N 379.500 4.668 30 40 GJEB Cc1cc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)ccc1-c1ccc(CO)o1 20352855 RRMZEPLZGWWMCI-ZVBGSRNCSA-N 386.791 4.765 30 40 GJEB COC(=O)c1sc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(C#N)c1C 33635451 XCZWXYFLGFYHNP-UHFFFAOYSA-N 394.452 4.844 30 40 GJEB OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 59145444 HJYIVOYQMVJCSM-UHFFFAOYSA-N 392.155 4.888 30 40 GJEB N#CCCOC[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100929349 GJIOBJXBJWRYBP-UASFKTIASA-N 383.917 4.768 30 40 GJEB O=[N+]([O-])c1cccc(/C=N\CCCCCC/N=C\c2cccc([N+](=O)[O-])c2)c1 104063658 JYWRJFIEBKZZSB-BMJUYKDLSA-N 382.420 4.601 30 40 GJEB CSC1=N[C@H](c2ccc(N(C)C)cc2)C(C(C)=O)=C(C)N1c1ccccc1 408730265 GNYDDNARNPCREG-OAQYLSRUSA-N 379.529 4.896 30 40 GJEB N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCC[C@H]2C#N)cc1 596696313 ZNBTXFULBGRPKT-GHTZIAJQSA-N 388.471 4.536 30 40 GJEB COC(=O)N1C=Cc2ccccc2[C@]1(C#N)C(=S)SCc1ccccc1 977109 XBYLXSCKDCUHSF-HXUWFJFHSA-N 380.494 4.719 30 40 GJEB Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C#N)cc1 17077794 IXHRKUFRUZESTP-JKSUJKDBSA-N 380.469 4.509 30 40 GJEB O=C(O)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1Cl 59249490 OGSXXTSKSPRGGW-DJKKODMXSA-N 397.656 4.745 30 40 GJEB Cc1cccc(C(C)C)c1NS(=O)(=O)c1cc(Br)cc(C#N)c1 95977808 HAQHWKNOPJSJTE-UHFFFAOYSA-N 393.306 4.553 30 40 GJEB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 106920783 BLILEXZWJJKGLN-NHCUHLMSSA-N 379.460 4.654 30 40 GJEB Cc1ccc(Cc2nc(SCc3ccc(Cl)cc3)nc(N)c2C#N)cc1 223672703 XFJGNRVRZNHHJU-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB C#CCOc1ccc(CNc2ccc(Br)cc2)cc1Br 409204955 DPNVFNWUPAJXFH-UHFFFAOYSA-N 395.094 4.836 30 40 GJEB CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCC2 1023195 LLQWFSAZUSPPDP-INIZCTEOSA-N 396.541 4.884 30 40 GJEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 5009825 OLDVXQAGIXGXAO-XKZIYDEJSA-N 386.403 4.668 30 40 GJEB biogenic CCO/N=C1/CC(C)(C)Cc2nc(NC(=O)c3ccc(Cl)cc3)sc21 5598038 YTRAGOBYBTZNKV-HMAPJEAMSA-N 377.897 4.762 30 40 GJEB CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@@H]2c1ccccc1[N+](=O)[O-] 5734446 ZDMMMRPYILRBGC-IBGZPJMESA-N 395.455 4.995 30 40 GJEB CCCCC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])cc(OCC)c2O)c1 6396818 BNSPHUBNVMLFMY-FYJGNVAPSA-N 385.420 4.578 30 40 GJEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1 8811288 YSJNJAGCBPVZQU-ZVHZXABRSA-N 395.846 4.951 30 40 GJEB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccccc3n2CCC#N)c(C)c1 12602975 ODACJTCNGHWCBG-QGZVFWFLSA-N 392.528 4.995 30 40 GJEB Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3cccc(C)c3C)C(=O)N2C)cc1C 54979077 KBNDIVVONRRSJB-VCGVYRDQSA-N 395.528 4.510 30 40 GJEB CCc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1C 59104714 UVKKQBBQBUQULH-FSJBWODESA-N 377.448 4.714 30 40 GJEB COc1ccccc1N/C=C1\Nc2ccc(Br)c(Cl)c2C1=O 100296172 UVEYSSMXIHLDOK-WQLSENKSSA-N 379.641 4.673 30 40 GJEB COc1ccc([C@@H]2CCCC/C2=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 104072535 RUVQVERNARCLQB-BWGFTNSASA-N 384.392 4.637 30 40 GJEB CC(=O)O/N=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118918539 GLZBXEUOJGEPEI-YARFRRPMSA-N 389.536 4.880 30 40 GJEB CN1CCc2c(sc(/N=C\c3ccc(-c4ccc(F)cc4F)o3)c2C#N)C1 408603509 RKYQTFXOODMOQR-VROXFSQNSA-N 383.423 4.896 30 40 GJEB N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(F)c1 408624028 WPDMZUHGDMQGIS-UHFFFAOYSA-N 377.341 4.569 30 40 GJEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O 1403325 YIRBFYOLZAXMLQ-UHFFFAOYSA-N 385.648 4.996 30 40 GJEB CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2394290 YCUWMJSPDQVQES-SFHVURJKSA-N 394.519 4.741 30 40 GJEB Cc1ccc([C@@H]2C3=C(C[C@H](c4cccc(Cl)c4)CC3=O)Nc3ncnn32)cc1 4776973 OGJTXNCTVAXMDO-HRAATJIYSA-N 390.874 4.656 30 40 GJEB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1/N=C/N(C)C 5598454 GYIIPXGAXOJCRF-VCHYOVAHSA-N 381.295 4.576 30 40 GJEB C#CCOc1ccc(CN[C@@H](C)c2ccc(Br)cc2)cc1OCC 39976528 UIBKECNEEJVULV-HNNXBMFYSA-N 388.305 4.711 30 40 GJEB C=C(Br)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95707929 VCQVNKMSJHZKBS-VKHMYHEASA-N 390.974 4.930 30 40 GJEB Cc1cc(Br)cn2c(CN[C@H](CCCC#N)c3ccccc3)cnc12 582308267 KKAYGAQDEJRPFS-LJQANCHMSA-N 397.320 4.930 30 40 GJEB Cc1cccc(/N=C2\NC(=S)N(c3cccc(C(=O)O)c3)C23CCCCC3)c1 705468 BSZPWPLQUBUNRA-UHFFFAOYSA-N 393.512 4.821 30 40 GJEB CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 937274 JEYCKUZMIHXEKX-GUYCJALGSA-N 395.528 4.533 30 40 GJEB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 5002741 YZCIPUYFNYKNTI-OAQYLSRUSA-N 397.515 4.641 30 40 GJEB COc1ccc(/N=C/c2cc(Br)cc(Br)c2OC)cc1 5358898 QJCCHYTZWRFLLT-GIJQJNRQSA-N 399.082 4.979 30 40 GJEB C[C@H]1CCC[C@H](C)N1/N=C/c1cc(Br)cc(Br)c1O 5754256 HCKUBOUDEFJALS-KTJBPSCZSA-N 390.119 4.514 30 40 GJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1 6297356 KKRIOVOSYHKGRB-LSHDLFTRSA-N 376.294 4.715 30 40 GJEB Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 12406356 UFVMNIYEBSTQRA-XHWMPCBKSA-N 376.456 4.519 30 40 GJEB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1ccc(-c2ccccc2C#N)cc1 12910538 JJDYHVAXOPKELC-UHFFFAOYSA-N 399.494 4.694 30 40 GJEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)s1 32891891 CSUMMPPIKFCWCV-LBPRGKRZSA-N 377.535 4.520 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)S2)c(C)c1 59459407 FWLHKVWYRJOBHV-SXGWCWSVSA-N 387.848 4.757 30 40 GJEB COc1cc(Br)cc(/C=N/Cc2cccc(C(F)(F)F)c2)c1O 100296887 KWDZTXUAHKJPQG-ZVBGSRNCSA-N 388.183 4.801 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/CCCCCC/N=C/c2ccc([N+](=O)[O-])cc2)cc1 104063654 IDCYZFYGYYOLTF-YHARCJFQSA-N 382.420 4.601 30 40 GJEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 224689300 PDEMVFHUCAHFQD-UHFFFAOYSA-N 393.508 4.955 30 40 GJEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 408534527 STWVAQVRLCGYLI-GZTJUZNOSA-N 398.465 4.565 30 40 GJEB CCCCCCCNC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 2447948 AHYSHVNRDNFQCS-UHFFFAOYSA-N 381.524 4.523 30 40 GJEB FC(F)(F)c1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1 2706363 FAAQSNGKDPHGSA-NKVSQWTQSA-N 382.798 4.788 30 40 GJEB CCOc1ccccc1NC(=O)c1c(/N=C\c2cccn2C)sc2c1CCC2 4545644 ZJWOZMIRQRIIEP-UCQKPKSFSA-N 393.512 4.977 30 40 GJEB S=C(N/N=C/c1cccn1-c1ccc(Br)cc1)Nc1ccccc1 4740770 MQXYNLBUTPOHEI-DEDYPNTBSA-N 399.317 4.560 30 40 GJEB Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C\c2ccc(N3CCCC3)o2)S1 6455927 MHNSWYVHSXPRAK-LFIBNONCSA-N 387.892 4.733 30 40 GJEB CCCC(=O)Nc1cccc(/N=C/c2cc(C)cc(Br)c2O)c1 6755940 ZCLMHUWJOHQEDS-RGVLZGJSSA-N 375.266 4.952 30 40 GJEB Cc1nn(C)cc1/C=N/N=C1\CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 8843455 QSCIZHIRAXFDOO-BQGISAPKSA-N 390.531 4.765 30 40 GJEB CO[C@@H]1CCC[C@H](C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)C1 12133262 GVZBZKYCQWIPIE-FCHUYYIVSA-N 390.527 4.611 30 40 GJEB C=CCOc1ccc(CN(C)C(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1 23526738 GJLMRXLPLKZHEK-UHFFFAOYSA-N 389.499 4.592 30 40 GJEB COc1ccccc1N1C(=O)C[C@@H](c2ccccc2OCc2ccccc2)[C@@H]1C#N 26896011 MLLBHDDXLGJDOP-UNMCSNQZSA-N 398.462 4.687 30 40 GJEB Oc1cc(Cl)ccc1/C=N/N=C1/c2ccccc2-c2nc3ccccc3nc21 59488016 NZACIVVSJAAIAM-KXKXIFFMSA-N 384.826 4.841 30 40 GJEB C=CCOc1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1 218838099 LVZSUCPNFWAMTB-UHFFFAOYSA-N 390.277 4.648 30 40 GJEB C=CCOc1c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cccc1OC 408532077 NGESIUWTPYPIOT-CYVLTUHYSA-N 395.480 4.539 30 40 GJEB CCOc1c(Br)cc(/C=N/c2oc(C)c(C)c2C#N)cc1OC 408919364 WYIZCQOGZJIDDJ-AWQFTUOYSA-N 377.238 4.689 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@@H]2c1ccccc1F 5190833 XZQAQCQZZXDLKK-HXUWFJFHSA-N 380.419 4.746 30 40 GJEB N#CCC[C@@H](C#N)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 7112430 SVMPFPMNNLACJV-JTQLQIEISA-N 399.423 4.716 30 40 GJEB Cc1cccc2cc(/C=N/Nc3ncnc4sc5c(c34)CCCC5)c(O)nc12 9292264 ANYOPAIBJDJEFD-YSURURNPSA-N 389.484 4.578 30 40 GJEB N#Cc1ccccc1-c1ccccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 24838682 HVCDEBKBOWHSQB-UHFFFAOYSA-N 395.462 4.504 30 40 GJEB N#Cc1cccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)c1 31423529 SIOYOOJDKXQLIH-UHFFFAOYSA-N 383.860 4.739 30 40 GJEB CCCCCCCCC[C@@H](O)CCC[C@@H](O)[C@H](O)CCCCCCC(=O)O 100114092 JHAAEJPYWGVVFN-NJDAHSKKSA-N 388.589 4.805 30 40 GJEB C/C(=N\c1ccc(O)cc1C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643589 KDDNSGSPYBAYDO-PCLIKHOPSA-N 384.435 4.851 30 40 GJEB C=CCOc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 408574066 IJMPMBBIMQFTNL-UHFFFAOYSA-N 392.318 4.886 30 40 GJEB COc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409215426 YORREMOEKSPPGK-PXLXIMEGSA-N 381.453 4.522 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(F)cc1 3234850 CICRYYGMLOXJCO-UHFFFAOYSA-N 391.423 4.888 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1F 6426087 FWIMTSLNRLLELO-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1 8363002 RIQUBLFQZXNQLB-OCIPIQTLSA-N 376.481 4.631 30 40 GJEB N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 8518206 GESBCGGYVWSSQN-UHFFFAOYSA-N 384.844 4.805 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2cc(OC)ccc2OC)C(=O)N1CC 16162379 PDCCCUSGCZTMKO-QNQNADBQSA-N 396.512 4.890 30 40 GJEB CCOc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)no2)cc1 27792874 PDTQUPSCHCJBNB-UHFFFAOYSA-N 393.468 4.805 30 40 GJEB C=CCOc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 27990187 HRFCSZGSCMGMMS-UHFFFAOYSA-N 378.497 4.656 30 40 GJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(Br)c1 35647512 SEWFCNYCVMPAHP-NTEUORMPSA-N 393.693 4.994 30 40 GJEB Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1C 38654378 ORGASSQWQFTIOZ-UHFFFAOYSA-N 384.483 4.578 30 40 GJEB COc1cc(/C=N/Cc2ccccc2)ccc1OCc1cccc(C(=O)O)c1 59678364 BTWMMZNFZFJQJI-BUVRLJJBSA-N 375.424 4.592 30 40 GJEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccs2)c1 67259508 IGZXFIONQIRMQT-UHFFFAOYSA-N 389.505 4.670 30 40 GJEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccc(Cl)cc1Cl)C(C#N)C#N 104815785 JVMUCYDWUTWWED-OALUTQOASA-N 397.265 4.779 30 40 GJEB C=CCc1cc(/C=N\c2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(=O)O 408851871 AXZPINFCYUQBTH-YVNNLAQVSA-N 394.254 4.945 30 40 GJEB O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccccc2I)c1 409104655 GNOOGTUOLZPGGP-PXNMLYILSA-N 386.576 4.603 30 40 GJEB CC(C)OC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1 409188175 XDJBVQVHNNIFIN-RGVLZGJSSA-N 376.250 4.530 30 40 GJEB Cc1ccc(C2=C/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1 1578433 WYOFYCDFIQDSTK-PGMHBOJBSA-N 383.451 4.610 30 40 GJEB Cc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)cc1Cl 3669126 MNURJMSTKAMLEA-FLFQWRMESA-N 381.907 4.805 30 40 GJEB Cc1cc(C)c(C#N)c(Sc2ncnc3c2sc2nc(C)cc(C)c23)n1 4334936 YYAKFQXEFXOIBJ-UHFFFAOYSA-N 377.498 4.891 30 40 GJEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OCC)c2)C1=O 6224620 DVSNPPMNRZRWIS-JASJWYONSA-N 393.892 4.586 30 40 GJEB N#Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1 10442819 KWYWTLGQNQISDG-UHFFFAOYSA-N 387.439 4.689 30 40 GJEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2c1=O 11868989 CHRABKCVKGWREB-UHFFFAOYSA-N 379.485 4.621 30 40 GJEB CC(=O)Oc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C(C)C)C2=O)cc1 101589456 LGWXUYRPFKAFCX-HNPUNDFXSA-N 380.469 4.624 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 102576453 GRXGZYPVYYCIHD-JBCNATCCSA-N 387.410 4.760 30 40 GJEB CCOc1cc(C)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C(C)C 408849600 XNVRDXYMVVKVRO-JAIQZWGSSA-N 386.408 4.780 30 40 GJEB O=C(CCc1ccccc1)O/N=C1/c2ccccc2-c2nc3ccccc3nc21 1024541 LWWMYRMNGPEEGD-VYIQYICTSA-N 379.419 4.539 30 40 GJEB CC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 4915341 BIACYXKTHFWFEX-NVHJWRPJSA-N 385.920 4.893 30 40 GJEB COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1 5376901 IESORLJNOBYNPJ-UNOMPAQXSA-N 388.448 4.518 30 40 GJEB COC(=O)c1sc2ncc(/C(C)=N/Nc3cccc(SC)c3)cc2c1C 84067954 XEMPEBIUFNSILS-CIAFOILYSA-N 385.514 4.949 30 40 GJEB Cc1ccc(Nc2nc(-n3nc(C)cc3C)c3c(c2C#N)CC(C)(C)OC3)cc1 95478092 DDDCLJZTPSJOBF-UHFFFAOYSA-N 387.487 4.659 30 40 GJEB C[C@@H](NC(=O)COc1ccc(/C=N\c2ccccc2F)cc1)c1ccccc1 408799765 KVCXMNQDFUEODN-WZJLVRHISA-N 376.431 4.833 30 40 GJEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1c(C)cccc1C 408909035 GEXMONRTUOVSAE-ZIKOHYJISA-N 380.469 4.656 30 40 GJEB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/c2ccc3c(c2)OCO3)c1C 408914521 QGAWITRUWIOKJG-FOKLQQMPSA-N 376.412 4.580 30 40 GJEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 409159141 ZGUMHUWQZIEMQF-GJYPPUQNSA-N 381.819 4.977 30 40 GJEB C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccccc1OC 12552781 HHSHTZCHVCPRCU-CYBMUJFWSA-N 399.520 4.674 30 40 GJEB COc1ccc2c(c1)/C(=N/OC(=O)c1cc(Cl)ccc1SC)CCC2 20035538 BBRPXTIWTMAWME-HEHNFIMWSA-N 375.877 4.968 30 40 GJEB Cc1ccc(-n2ccnc2SCC(=O)N(CCC#N)c2ccccc2)c(C)c1 22132733 KOKFUQKTCFBOTN-UHFFFAOYSA-N 390.512 4.528 30 40 GJEB CN(N=C(/C=N\N(C)c1ccccc1)/C=N/N(C)c1ccccc1)c1ccccc1 104066167 LNTNHRWHOBVRQC-PCADGYKISA-N 398.514 4.723 30 40 GJEB C=CCSc1nnc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)s1 225691662 KTJOBAVQSJNNLA-GFCCVEGCSA-N 385.967 4.979 30 40 GJEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)n1 253508302 CWICEVOQFOQFIA-HPHHNTGJSA-N 396.575 4.869 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N\c3cccc([N+](=O)[O-])c3)c2C)c(C)c1 408942281 XFSCEMMYYDEOQE-QRVIBDJDSA-N 391.427 4.848 30 40 GJEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1)c1cccs1 4171004 RLSQEJGNVSFWAT-FQEVSTJZSA-N 389.476 4.569 30 40 GJEB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 4537190 XTCICMYCHNEPQF-ZRDIBKRKSA-N 391.379 4.928 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 5551396 LEDXODFHMXUCFJ-AUWJEWJLSA-N 394.239 4.793 30 40 GJEB O=C1N/C(=N/N=C(\Cc2ccccc2)c2ccccc2)S[C@@H]1c1ccccc1 33247036 WZBSNTFNJNRRLN-APWMPYESSA-N 385.492 4.594 30 40 GJEB CCCC/N=C1\S/C(=C/c2ccc(O)c(OCC)c2)C(=O)N1CCCC 35042042 AJTXVASBVOEYHV-HOOMGSECSA-N 376.522 4.663 30 40 GJEB CCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 38153444 NRQDIJMGRGMJSE-QTEQDKRBSA-N 382.609 4.808 30 40 GJEB S=c1[nH]ncn1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 96594102 PANIHVVAWWVDIQ-DNTJNYDQSA-N 379.272 4.709 30 40 GJEB C=CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2Cl)c1 216898833 CSNJCPDBGIFZQM-WEVVVXLNSA-N 376.811 4.809 30 40 GJEB CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 937273 JEYCKUZMIHXEKX-DYVFJYSZSA-N 395.528 4.533 30 40 GJEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OCc3ccc(F)cc3)ccc21 1840447 RUYBMOZFAPCOPD-NHDPSOOVSA-N 391.354 4.929 30 40 GJEB C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C=CC(C)(C)O2 5447704 XRVLGJCHUWXTDX-UHFFFAOYSA-N 394.423 4.711 30 40 GJEB aggregator,biogenic,in-vivo COc1ccc([C@H]2CCCC/C2=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 18143169 RUVQVERNARCLQB-HNOLQLOCSA-N 384.392 4.637 30 40 GJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)cc1 36365035 AIERGUXKESERQK-MRXNPFEDSA-N 382.345 4.886 30 40 GJEB CC(C)c1ccc([C@@H](NCC(=O)NC2(C#N)CCCC2)c2cccs2)cc1 57929605 SBVQKECHZWBJQG-OAQYLSRUSA-N 381.545 4.503 30 40 GJEB CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)S/C1=N/c1ccc(F)cc1 101735897 BXTMLIZSRJPIBF-XMFNYGHISA-N 393.443 4.556 30 40 GJEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1C 408780621 GKYBCWUQLQSKQQ-YDZHTSKRSA-N 391.427 4.848 30 40 GJEB C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408903423 XPAKKYLASNECGE-GZTJUZNOSA-N 382.847 4.720 30 40 GJEB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1cc(C)ccc1C 408906641 CRGXGJDABJBYKB-DYEBMTOPSA-N 396.512 4.945 30 40 GJEB C=CCN/C(S)=N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1969287 SXROEIIYKJITDL-SSDVNMTOSA-N 394.327 4.968 30 40 GJEB C=CCn1c(SCCOc2ccccc2)nc2sc3c(c2c1=O)CCCC3 2362007 AVRVNCKHIPMASB-UHFFFAOYSA-N 398.553 4.694 30 40 GJEB O=c1c2c3c(sc2nc(N/N=C/c2ccccc2)n1C1CCCCC1)CCC3 4419848 QHTDJNIEQRBQIU-OEAKJJBVSA-N 392.528 4.898 30 40 GJEB CCCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 4939542 BPUIJCRRBRYWPR-ANTKNQIZSA-N 395.528 4.720 30 40 GJEB O=C(O)c1ccc(C/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59302962 FMTVKPYUTBYJIG-FYJGNVAPSA-N 383.245 4.557 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccs1 96129783 KVZFLJYASPWZRJ-RBZFPXEDSA-N 399.537 4.734 30 40 GJEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccc(Cl)cc1 100250314 KDTYLDXGROQMAF-OCKHKDLRSA-N 384.657 4.888 30 40 GJEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1 226344160 KWCBUXAQGLPFQR-UHFFFAOYSA-N 391.652 4.989 30 40 GJEB CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCCOC)C2=O)c1C 409105046 IABOBKYJQJMAHF-SPDSTVKKSA-N 397.544 4.765 30 40 GJEB O=[N+]([O-])c1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1 4017677 LLCFAJSNEXTXDH-FRKPEAEDSA-N 384.573 4.670 30 40 GJEB CC(C)(C)c1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 4342175 CUGPZDHXDLABQN-YDZHTSKRSA-N 380.879 4.629 30 40 GJEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(F)cc1 6155411 MXKGUVIXYVTZKN-LZYBPNLTSA-N 389.810 4.773 30 40 GJEB CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 6820265 PNLMIGUTVCVJJF-YJBOKZPZSA-N 395.886 4.743 30 40 GJEB C=CCNC(=O)[C@@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 7177860 ZJMZCZNHQDCRAD-LLVKDONJSA-N 375.544 4.650 30 40 GJEB Cc1cc(/C=N/n2cnc3scc(-c4ccccc4)c3c2=O)c(C)n1C1CC1 8390368 IJUILLXFTLQPJV-BHGWPJFGSA-N 388.496 4.760 30 40 GJEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccc(OC(C)C)cc1 8570353 ZMFGDJZVEAYTSV-UHFFFAOYSA-N 391.471 4.661 30 40 GJEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)o1 8614965 AKZVZPKXJXYNRG-UHFFFAOYSA-N 386.411 4.701 30 40 GJEB N#CCCN(c1ccc(/C=N/c2ccccc2)cc1)S(=O)(=O)c1ccccc1 18158544 BGGVTOMPSDLRFU-HKOYGPOVSA-N 389.480 4.546 30 40 GJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)o1 28236888 CNAYNAAZXWQNBC-UHFFFAOYSA-N 390.439 4.798 30 40 GJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4nc3Cl)o2)cc1 41107544 GIQFFCKDJSIDIX-SRZZPIQSSA-N 393.790 4.897 30 40 GJEB C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)cn1 225933757 MDBPHNXHBUIBAZ-UHFFFAOYSA-N 384.479 4.630 30 40 GJEB CN(C)c1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 408749425 OMAKTXVAEHDQDV-CXUHLZMHSA-N 392.311 4.951 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)cc1 408961971 WEURSMQCWXADEG-ZHZULCJRSA-N 377.513 4.795 30 40 GJEB COc1cccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c1OC(C)C 409011744 HKZHVDNMMXXELX-UNOMPAQXSA-N 396.512 4.991 30 40 GJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)cc32)cc1 816096 ZXTWPJRYNQIWKB-QFIPXVFZSA-N 393.483 4.913 30 40 GJEB Cc1cc(C)nc(/N=C(/NC(=O)c2ccccc2)Nc2ccc(C(C)C)cc2)n1 2270417 YJZVBSPYVOLVDT-UHFFFAOYSA-N 387.487 4.746 30 40 GJEB CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 6820241 RAVZCITZOTWJBK-QAPCUYQASA-N 395.886 4.743 30 40 GJEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)S2)cc1 15012414 YDCSKGWSPPGTQN-HKWRFOASSA-N 379.529 4.987 30 40 GJEB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1F)C1=C(CCCC1=O)O2 18196570 ZMZCUUKGBIDUHY-JOCHJYFZSA-N 388.442 4.910 30 40 GJEB C=CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225684041 MKYRESQOXWXNSW-IBGZPJMESA-N 398.528 4.849 30 40 GJEB Cc1ccccc1-n1cccc1/C=C1/SC(=Nc2ccc(F)cc2)NC1=O 408963907 DOVTZQCTXHJFRR-CPNJWEJPSA-N 377.444 4.816 30 40 GJEB C#CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Cl 409008225 WTYOLTCWUCJULL-RGEXLXHISA-N 397.883 4.631 30 40 GJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3cc4c(cc32)OCO4)cc1 636353 XQKQCHPFTWCONS-NRFANRHFSA-N 378.424 4.591 30 40 GJEB C=C(C)CSc1nnc2c3c4c(sc3nc(SC)n12)C[C@@H](C)CC4 1306704 GINJVHAPXBTHMJ-JTQLQIEISA-N 376.576 4.854 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(F)cc1 2346666 QDXPDHONIUXLRB-UHFFFAOYSA-N 396.491 4.563 30 40 GJEB CCOc1ccc(NC(=O)[C@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)cc1 4168242 XQGMAMJEZBUPTN-KRWDZBQOSA-N 393.874 4.916 30 40 GJEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c1 4944914 WEOPBYZRIIHEAO-IBGZPJMESA-N 391.467 4.540 30 40 GJEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 6218352 LDRHCCYJZNCPOT-UHFFFAOYSA-N 391.408 4.552 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccs1 10303461 ZLWFFBXKQPRTAV-UHFFFAOYSA-N 390.921 4.577 30 40 GJEB C=CCn1c(SCc2cccc(Cl)c2)nnc1[C@H]1COc2ccccc2O1 25432999 STABMUWDSNGYDZ-GOSISDBHSA-N 399.903 4.922 30 40 GJEB C#CCOc1c(Br)cc(CN[C@H](C)c2ccccc2)cc1OCC 36612622 UGAFCNAWUKPYNY-OAHLLOKOSA-N 388.305 4.711 30 40 GJEB C=CCOc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 98085667 DZYZHPGTWKDPLM-KOEQRZSOSA-N 381.435 4.511 30 40 GJEB C#CCOc1ccc(Cl)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408559839 WTLXKXFKXFMMNX-SFHVURJKSA-N 378.280 4.784 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409345959 MHFJVZUMPBMQDB-BOPFTXTBSA-N 398.465 4.565 30 40 GJEB CCCCOc1ccc(C(=O)/N=C2/N=C3C=CC=CN3Cc3ccccc32)cc1 3165588 MJSCUBXUVDTSSF-WNAAXNPUSA-N 385.467 4.750 30 40 GJEB COc1ccc(-n2c(SCCCC#N)nnc2-c2ccccc2Cl)cc1 4246852 UAOVLTPDSSNCPK-UHFFFAOYSA-N 384.892 4.992 30 40 GJEB C=C[C@H]1C[N+]2(Cc3ccccc3)CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 4520896 RTHFVUKMXCJYPA-HIVSHNMNSA-N 385.531 4.880 30 40 GJEB O=C(Oc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1)c1cccs1 4598822 HWXLKBBIQVYFLV-XQNSMLJCSA-N 392.480 4.555 30 40 GJEB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3ccccc3C#N)cc12 5167802 CCSNAYNOXABTLJ-UHFFFAOYSA-N 391.427 4.763 30 40 GJEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccccc3)S2)cc1 5809101 MZMROXMAYSIAON-HKWRFOASSA-N 389.480 4.768 30 40 GJEB Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 8559203 DFEQCQJUIIRKLP-KKSFZXQISA-N 390.874 4.656 30 40 GJEB O=C1/C(=C/c2cccnc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 12467389 BTZUTSRRWCOEQV-MXHYXOMCSA-N 385.492 4.928 30 40 GJEB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 18197868 XRPWLXJJNIIMPS-DJJJIMSYSA-N 379.847 4.923 30 40 GJEB C=C[C@@H]1C[N@+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12 245224140 RTHFVUKMXCJYPA-CCKSAKKSSA-N 385.531 4.880 30 40 GJEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C#N)cc2)c1C 408903830 AAUYZYIREYUULM-OEAKJJBVSA-N 380.451 4.772 30 40 GJEB CCOc1cc(C)c(/C=N/n2c(S)nnc2-c2ccccc2)cc1C(C)C 409054302 IVLXQMYZRKIHKL-LPYMAVHISA-N 380.517 4.947 30 40 GJEB CCOC(=O)c1sc(NC(=O)c2ccccc2)c(C#N)c1-c1ccccc1 409122524 ZEMTWKORXATFEF-UHFFFAOYSA-N 376.437 4.716 30 40 GJEB Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(C#N)cc3)c2)cc1C 409379638 YXALNKZHGFCGSN-CVKSISIWSA-N 383.451 4.943 30 40 GJEB Cc1ccc(NC(=S)N2CCS[C@H]2c2ccc(C#CC(C)(C)O)cc2)cc1 1441165 LEHMVARVLVQURD-FQEVSTJZSA-N 396.581 4.562 30 40 GJEB CCOC(=O)Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccccc1 5869919 YZQRUEDCZUGGPL-UDWIEESQSA-N 382.445 4.530 30 40 GJEB Cc1c(/C=C2/C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cnn1C 6527502 NZSLOBGOEKKDIY-PGHTXZSESA-N 376.500 4.553 30 40 GJEB Cc1ccc(-n2c(C)cc(/C=N/n3cnc4sc(C)c(C)c4c3=O)c2C)cc1 24038021 MXTANVRAHBEALP-BHGWPJFGSA-N 390.512 4.673 30 40 GJEB N#C[C@@H](C(=O)CCCC(=O)Nc1ccc(Cl)cc1)c1ccccc1Cl 6513934 TWIHCITUVWXCOM-MRXNPFEDSA-N 375.255 4.979 30 40 GJEB C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1C1CCCCC1 6790165 NMQRGEIZIXBRJF-UHFFFAOYSA-N 392.475 4.521 30 40 GJEB COc1ccc(Br)cc1CSc1nc(C)c(C(C)=O)cc1C#N 8728177 OMJXQTQUKZZEBP-UHFFFAOYSA-N 391.290 4.528 30 40 GJEB CC(=O)N[C@H](CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(C)cc1 11328860 LWCBQHOFRLJZMX-XMMPIXPASA-N 398.462 4.707 30 40 GJEB C=CCn1c(N)c(C(=O)OCCCCCCCC)c2nc3ccccc3nc21 97998512 OSIWFMVIBAZKKW-UHFFFAOYSA-N 380.492 4.870 30 40 GJEB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C#N 225772433 SHRMJLUTDLUQBK-UHFFFAOYSA-N 392.499 4.733 30 40 GJEB Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Br)c(Cl)c1 409070448 XSPKQLZSDDCEQD-CIAFOILYSA-N 393.712 4.998 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccc(F)cc1 409079996 CSPKIMDGCJDMCY-NDENLUEZSA-N 395.430 4.848 30 40 GJEB O=C(COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(Cl)cc1 2411794 GQCUZZLGOZGLPD-JAIQZWGSSA-N 380.783 4.811 30 40 GJEB Cc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 5570698 BMSRLXNVFGTKCQ-SRZZPIQSSA-N 398.308 4.709 30 40 GJEB CCOc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 16995474 UJZRQRRYMUWIKS-SFHVURJKSA-N 375.492 4.540 30 40 GJEB O[C@@H](CON=C1c2ccccc2-c2ccccc21)COc1ccccc1Cl 95117236 SMBFUUQQTXWULJ-OAHLLOKOSA-N 379.843 4.529 30 40 GJEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)[C@@H](/C(C)=N/O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118915912 BSLCVENCLGLBCE-JNUUROMUSA-N 389.536 4.606 30 40 GJEB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C#N)c1 225757600 CYCKYNKVTIYFTJ-UHFFFAOYSA-N 393.443 4.706 30 40 GJEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1cccc(Cl)c1)CC2 1100015 OLPMBJHLEHKMHQ-XSFVSMFZSA-N 394.652 4.618 30 40 GJEB C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 6624566 FCWYNTDTQPCVPG-KDNSLJGTSA-N 382.500 4.941 30 40 GJEB biogenic COc1cc(O)c(/C=N/c2ccc(N3CCCCC3)cc2)cc1Br 16194737 MULCNZLLLDJDGB-FYJGNVAPSA-N 389.293 4.904 30 40 GJEB N#Cc1ccccc1-c1ccc(CSc2nnnn2-c2cccc(F)c2)cc1 22416457 LQLSSMGWZKWDJR-UHFFFAOYSA-N 387.443 4.632 30 40 GJEB CCCCCCCCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 105635211 GTHXTNDNCAJLRR-UHFFFAOYSA-N 378.472 4.578 30 40 GJEB Cc1nnc(S)n1/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 408858028 IJQWKGKNSFYLOJ-SSDVNMTOSA-N 395.919 4.722 30 40 GJEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(C)o3)cc12 409305196 MEPAUIDEFGQNBI-UHFFFAOYSA-N 399.406 4.602 30 40 GJEB CC1(C)CC(=O)c2cn(-c3ccc(Oc4ccccc4)cc3)c(=N)c(C#N)c2C1 4111782 MECNCWJYWNCXNO-UHFFFAOYSA-N 383.451 4.776 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13684959 GYOOVAXRZXFKFV-UHFFFAOYSA-N 384.479 4.640 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C/C(Br)=C/c1ccccc1 100931107 NGYQBLUDMXNYFQ-ILYHAJGMSA-N 385.286 4.857 30 40 GJEB CCCCCCCCCCS(=O)(=O)c1nc(/N=N/c2ccc(O)cc2)n[nH]1 103764375 NUTWNGUBNYWXHE-QZQOTICOSA-N 393.513 4.840 30 40 GJEB Cc1nn(C)cc1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 105389217 QSCIZHIRAXFDOO-FRYIBWMTSA-N 390.531 4.765 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(C)C1=O 408961630 UFNMPLHEUKHXGL-SPDSTVKKSA-N 377.513 4.829 30 40 GJEB O=[N+]([O-])c1cc(/C=N\Nc2ccc(Br)cc2)ccc1Br 409212529 QOCCZGHMXSHITG-PXNMLYILSA-N 399.042 4.566 30 40 GJEB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1cccc(C#N)c1 3351308 HNMMUQBTXKITHL-SECBINFHSA-N 385.798 4.745 30 40 GJEB CCOc1cccc2cc(C(=O)/C=C/c3ccc(N(CC)CC)cc3)c(=O)oc12 4598244 PBDPECHRVNGMLL-NTCAYCPXSA-N 391.467 4.934 30 40 GJEB Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1c(Cl)cccc1Cl 4672440 XAXVGIWNAXCZOC-SSDVNMTOSA-N 388.302 4.940 30 40 GJEB CCN1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1ccc(C)c(C)c1 4679697 MUDUAUVHWYUNEC-NVTWWLNUSA-N 391.496 4.830 30 40 GJEB Cn1cc([C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 4811525 JORDTLDEPAVWPU-PKTZIBPZSA-N 384.435 4.838 30 40 GJEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/Nc1ccc([N+](=O)[O-])cc1 6279790 UHAFGFBAJZMIGJ-KEBDBYFISA-N 390.230 4.842 30 40 GJEB COc1ccc(Nc2nnc(SCc3cn4ccccc4c3C#N)s2)cc1 10083972 UWEMBAQFKCMBTL-UHFFFAOYSA-N 393.497 4.707 30 40 GJEB CC(C)(C)c1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 17209609 RFHHPEZSJJLBSQ-UHFFFAOYSA-N 377.483 4.708 30 40 GJEB C=CCN(Cc1ccccc1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 44242965 DKFHPHCVVHCWAO-UHFFFAOYSA-N 383.879 4.687 30 40 GJEB CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 95201971 WONMPNXAADXCPZ-FQEVSTJZSA-N 385.529 4.838 30 40 GJEB COc1ccc(-c2ccc(/C=N/c3cc([N+](=O)[O-])cc(C)c3O)o2)c([N+](=O)[O-])c1 102417411 BIXNZXMTNXPNHE-KEBDBYFISA-N 397.343 4.536 30 40 GJEB COc1ccc(/N=C\c2ccccc2)c(NS(=O)(=O)c2ccc(C)cc2)c1 104101068 XNKVFIMTZHMZAK-JCMHNJIXSA-N 380.469 4.555 30 40 GJEB CC(=O)O/N=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118918540 GLZBXEUOJGEPEI-SBACHDCYSA-N 389.536 4.880 30 40 GJEB CC1=C(c2ccc(N/N=C3/C=NC(=N)S3)cc2)C(=O)[C@H](c2ccccc2)[C@H]1C 1554503615 RMSSABPQXDHLMV-BDMDJULHSA-N 388.496 4.940 30 40 GJEB C#CC(CC)(CC)NC(=O)Nc1ccc(C)c(NC(=O)NC(C#C)(CC)CC)c1 6934869 YHSXIDYMPARMHZ-UHFFFAOYSA-N 396.535 4.622 30 40 GJEB CCc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 38654421 RWADPSPRLUBQQA-UHFFFAOYSA-N 384.483 4.524 30 40 GJEB CCN(C(=O)c1cc(C)n(Cc2ccccn2)c1C)[C@@H](C)c1ccc(C#N)cc1 56222344 YFXMYIGZJOHYSU-SFHVURJKSA-N 386.499 4.643 30 40 GJEB N#Cc1ccccc1CSc1nnc(COc2ccc3c(c2)CCCC3)o1 409006836 MDTLVPCBYAGFDQ-UHFFFAOYSA-N 377.469 4.691 30 40 GJEB CCOc1cc(Br)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1O 6439481 UYMAHJSLGHPAHZ-SRZZPIQSSA-N 378.310 4.941 30 40 GJEB COC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)c1 10118954 ICHXUPZSVPUTET-AFUMVMLFSA-N 395.890 4.658 30 40 GJEB C=CCn1ncc(CN(Cc2ccccc2)C2CC(C)(C)NC(C)(C)C2)c1C 12186670 QITNRQCFZMRORT-UHFFFAOYSA-N 380.580 4.689 30 40 GJEB C=CCN(C(=O)CCC(=O)c1ccc(OCC)cc1)[C@H]1CCc2ccccc21 40146941 PTAUZDHHYCTATN-QFIPXVFZSA-N 377.484 4.750 30 40 GJEB CCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71782849 FVOFOTKYRCADHJ-BTUIYRAMSA-N 390.527 4.938 30 40 GJEB CCOC(=O)c1c(C)oc2c1/C(=C/NC1CCCCC1)C(=O)c1ccccc1-2 100752560 YXUDTAHJXFDQJM-AQTBWJFISA-N 379.456 4.891 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 974624 INLHSTYKSHXVNS-CPNJWEJPSA-N 397.521 4.661 30 40 GJEB COc1cc(/C=C2/Sc3ccccc3C2=O)cc(Br)c1OC 975444 OLCRHPQKEBXKOJ-OQLLNIDSSA-N 377.259 4.796 30 40 GJEB N#Cc1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CCCCCC2 2083984 RAEFBLCIHHVDMX-UHFFFAOYSA-N 378.453 4.637 30 40 GJEB CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccccc1 6783788 MHBVVVSEOVFDDM-UHFFFAOYSA-N 398.466 4.907 30 40 GJEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(C#N)cc3)c2n1 6832184 NHEBTFDZTVGJPG-UHFFFAOYSA-N 386.238 4.739 30 40 GJEB N#Cc1cccc(CSc2nnc(Cc3ccc(Br)cc3)o2)c1 10475659 FDRUJIPURQBSOA-UHFFFAOYSA-N 386.274 4.587 30 40 GJEB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 14152830 FCFGAFUURMGKMJ-UHFFFAOYSA-N 394.887 4.708 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1F 33782941 AKIQZQJRCQBFIY-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB N#Cc1ccc(COCC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 77191642 PTXIUBVVBWUHAT-UHFFFAOYSA-N 392.543 4.530 30 40 GJEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(Br)o2)S1 408859285 NVCGLBRECBCNEX-GHXNOFRVSA-N 397.681 4.896 30 40 GJEB CSc1cccc(N2C(=O)/C(=C/c3ccc(OCC#N)cc3)SC2=S)c1 409356108 DZVFXQVOCNCTGI-BOPFTXTBSA-N 398.534 4.717 30 40 GJEB O=C(COc1ccc(/C=N\c2cccc(O)c2)cc1Cl)Nc1ccccc1F 409388935 YFIVWGMOXZBVMO-MSXFZWOLSA-N 398.821 4.953 30 40 GJEB Cc1cccc(NC(=O)c2sc(NC(=O)c3ccco3)c(C#N)c2C)c1C 871288 LNOPZYIFYQIFDJ-UHFFFAOYSA-N 379.441 4.643 30 40 GJEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\Cc1ccccc1 3020025 COANBOKNGZKCRR-QHQVFXOCSA-N 393.537 4.715 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 5377122 WIYMNGHDMRHUOK-FYJGNVAPSA-N 392.371 4.528 30 40 GJEB CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OC 8811388 KDHQIZYYXMIZRZ-KEBDBYFISA-N 397.700 4.634 30 40 GJEB CC(C)c1ccccc1-n1c(Sc2ncccc2C#N)nnc1-c1cccnc1 12522651 BLRGAHAPLMFUBI-UHFFFAOYSA-N 398.495 4.871 30 40 GJEB C=C(Cl)C[S@](=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 40071057 ABISBPXXUPRIRV-AREMUKBSSA-N 386.904 4.549 30 40 GJEB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 48281958 SPTXJIXLUUVAOX-OAHLLOKOSA-N 378.403 4.703 30 40 GJEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929920 FPQBODBPYVBNMU-WSLKUVFHSA-N 398.543 4.816 30 40 GJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)c1 166498491 SZOJOLKESOEJAJ-ZMOGYAJESA-N 390.439 4.750 30 40 GJEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408595024 VISIUZPPRDGYIG-ZVHZXABRSA-N 387.395 4.596 30 40 GJEB Cc1cc(I)ccc1/N=C\c1ccc(N2CCCC2)cc1 408961906 VLFBNOWOPIOZAR-MOSHPQCFSA-N 390.268 4.950 30 40 GJEB Cc1nc2ccccc2c(=O)n1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2158071 HSHPVSZHSXBYSY-AFUMVMLFSA-N 391.515 4.888 30 40 GJEB C=CCn1c(NC(=O)c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3nc21 2287162 QJKUKVWWMFQJOZ-UHFFFAOYSA-N 387.830 4.548 30 40 GJEB C=CCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 4000109 OQMWOSDRKYQRQV-BVYAJCBJSA-N 388.511 4.587 30 40 GJEB biogenic Brc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1 4811537 GQXCMDHJAJBGPP-ZVBGSRNCSA-N 387.306 4.779 30 40 GJEB N#Cc1ccc(/C=N/c2ccc(/N=C/c3ccc(C#N)cc3)c([N+](=O)[O-])c2)cc1 5344379 VMIFZGAFTHIHGO-LVSXPEEVSA-N 379.379 4.839 30 40 GJEB COc1cc(/C=C/C(=O)c2nc3ccccc3s2)cc(Br)c1O 7335894 FSYZGKURDADFJP-VOTSOKGWSA-N 390.258 4.669 30 40 GJEB CC/N=C1/S/C(=C/c2ccccc2OCc2ccc(C)cc2)C(=O)N1CC 35041745 WIVIUMBSBVYFBE-XATRHVNRSA-N 380.513 4.886 30 40 GJEB CCc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)cc1 223728899 RTCUHGZORRTOCT-FLFQWRMESA-N 379.529 4.651 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N2C)cc1 408907390 MYFRJWWYMARVJM-FBPBHIITSA-N 387.848 4.790 30 40 GJEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)cc2)S1 408960676 NPPXWZASEWTMOH-HKWRFOASSA-N 377.513 4.877 30 40 GJEB CCCCN=C1S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CCCC 2032946151 JQYGCAWMPJWBFE-INIZCTEOSA-N 395.956 4.569 30 40 GJEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 4740383 HAQSRHRRMBZWJL-AJXNSUIMSA-N 392.455 4.567 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 5130191 JJTUNGAQQYCFGO-JOCHJYFZSA-N 390.458 4.741 30 40 GJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccco4)o3)o2)cc1 8844496 OWPLUFDJRKNUNH-UHFFFAOYSA-N 375.384 4.899 30 40 GJEB Cc1ccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2)cc1C 12547091 MTVOBQJYURVZBA-UHFFFAOYSA-N 383.480 4.969 30 40 GJEB O=C(O)c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1O 408733089 VXBXAGBGUKSMCE-AWQFTUOYSA-N 386.747 4.663 30 40 GJEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3cccc4[nH]ccc34)n2)cn1 585295313 UMFRITHFILRQBU-QHCPKHFHSA-N 394.482 4.910 30 40 GJEB C(=N/n1cnnc1)\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 937421 NRNCEYNQMPDMIW-JVWAILMASA-N 390.450 4.680 30 40 GJEB Cc1cc(C)n(-c2nnc(C)n2/N=C/c2c3ccccc3cc3ccccc23)n1 2742573 RPBCBXNUCMFRPU-ZVHZXABRSA-N 380.455 4.578 30 40 GJEB Cc1nc(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)c(C#N)c(C)c1C 8403486 SVMSKFRXAWLUGV-HXUWFJFHSA-N 379.529 4.507 30 40 GJEB CO[C@H]1CCC[C@H](C(=O)NC2(C#Cc3cncc4ccccc34)CCCCC2)C1 19592646 KFGDOWDZRHQHKG-UGKGYDQZSA-N 390.527 4.611 30 40 GJEB CCCC/N=C1\S/C(=C/c2cc(OC)ccc2OC)C(=O)N1CCCC 35041930 TVHQRWVREYKYMU-HOOMGSECSA-N 376.522 4.576 30 40 GJEB N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 72304574 FHAONAAMVZNQRO-GHTZIAJQSA-N 390.874 4.642 30 40 GJEB COc1cc2cc[n+](Cc3ccc(-c4ccccc4C#N)cc3)cc2cc1OC 96997872 ZTDPPYWNCWEXFM-UHFFFAOYSA-N 381.455 4.731 30 40 GJEB C=C(/C=C\C(O)=C/C)[C@@H]1c2c(-c3cccc(OC)c3)n[nH]c2C(=O)N1CCC 101542689 JUWLWBWKBBFMQX-FNJOJKDVSA-N 379.460 4.566 30 40 GJEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 102401926 DRRHHJHIWKVGRO-MOBKVPTQSA-N 398.462 4.831 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(OC)c1 102800948 OKZZSGZRRNTJTQ-JBCNATCCSA-N 393.483 4.697 30 40 GJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)c(Cl)c1 408727450 YPSRACAWLIEXMT-JMIUGGIZSA-N 381.779 4.831 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(F)(F)F)cc3)S2)cc1 408951671 JOZGOLUVAYSDGL-LFIBNONCSA-N 392.402 4.996 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3OCC(=O)O)c2C#N)C1 409213591 SHKIZSXIUFPJON-AHLOAVPJSA-N 396.512 4.985 30 40 GJEB N#C[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1cccc(Br)c1 604545485 GOMAHJWRXGMRJX-AWEZNQCLSA-N 389.249 4.798 30 40 GJEB CCc1cccc(CC)c1/N=C(\NCCN1CC1)Nc1c(CC)cccc1CC 1667823 WYZNEBIXPCDBPL-UHFFFAOYSA-N 392.591 4.941 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 14408803 SWQQNMSLUKAYMK-VXLYETTFSA-N 386.751 4.862 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C)o1 19972788 VXYBIPPBUMGPBO-SPLOXXLWSA-N 397.496 4.574 30 40 GJEB C/C(=N\c1cccc(C(=O)O)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370344 WNLWJZKQVBRHDK-MFKUBSTISA-N 398.418 4.535 30 40 GJEB Cc1cc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)ccc1Br 409187441 QKBLNKIIECXDDQ-SRZZPIQSSA-N 390.277 4.839 30 40 GJEB CCOc1ccc([C@@H]2C(C(=O)C(C)(C)C)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 3135170 LPNJCMLABFXSDO-SFHVURJKSA-N 397.515 4.628 30 40 GJEB Cc1ccc(C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CCC2)cc1 3170438 VVHFQXKLGGTDAT-UHFFFAOYSA-N 383.425 4.817 30 40 GJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2c1 4849191 DYRFFPIGIWIAHN-UHFFFAOYSA-N 390.512 4.520 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 6527211 BCCCZZPVWYISIP-TWGXUHNUSA-N 376.500 4.553 30 40 GJEB COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(Cl)cc1Cl 408736715 GAPVVYYKJQOZQD-TXRNYMQSSA-N 375.255 4.678 30 40 GJEB COc1cccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1OC(C)C 408965635 LBCQUQNKTXCJKB-GZTJUZNOSA-N 386.448 4.513 30 40 GJEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409069292 IIHBVRIFBNGCMW-DHDCSXOGSA-N 390.804 4.731 30 40 GJEB N#Cc1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCCC2 996216 IXGLDYUSCLQAQC-UHFFFAOYSA-N 375.837 4.703 30 40 GJEB O=C(Nc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1)c1ccco1 5581104 LDKNCHKQGZVDIC-KEBDBYFISA-N 385.763 4.550 30 40 GJEB N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NC[C@@H]1CCCO1 33324445 MBJGYQBDYGTLAL-ZDUSSCGKSA-N 399.834 4.630 30 40 GJEB N#CCCN(Cc1ccco1)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F 98056697 JQOBGCVHJPHYRN-WJDWOHSUSA-N 382.769 4.821 30 40 GJEB COc1ccc(C(=O)/C(=C/Nc2ccc(C)cc2C)C(=O)C(F)(F)F)cc1 100862396 NAEHVCWANHMCFP-WJDWOHSUSA-N 377.362 4.622 30 40 GJEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(Br)c(Br)o1 408953991 RGZPCWLPWJVYEJ-SOFYXZRVSA-N 387.027 4.562 30 40 GJEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)S1 409073379 YKCWYJFTNSDDJX-UYRXBGFRSA-N 381.476 4.626 30 40 GJEB O=C(c1ccc(OC(F)(F)F)c(F)c1)C(F)(F)C(F)(F)C(F)(F)F 575361310 XMYUDLRGLCFPAV-UHFFFAOYSA-N 376.121 4.740 30 40 GJEB COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC 753174 ABZYLKSEPYXAHI-QFIPXVFZSA-N 378.472 4.926 30 40 GJEB CN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Cl)c(Cl)c1 3588225 SYGZLTCNEZAXKX-UHFFFAOYSA-N 382.678 4.589 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3ccc(CC)cc3cc2C#N)cc1 4848925 UBBGYRGBISDKKX-UHFFFAOYSA-N 391.496 4.798 30 40 GJEB Cc1cccc(N/C(=N/S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)c1 5658473 QDHSENQCMAGPPC-UHFFFAOYSA-N 384.888 4.896 30 40 GJEB COc1cc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc(Br)c1O 13141397 VRWKWPIKGCNLFB-NSCUHMNNSA-N 391.305 4.962 30 40 GJEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]21 13739085 NIQUINPNXZDKJD-BDTNDASRSA-N 399.881 4.720 30 40 GJEB COc1ccccc1/C=C1\S/C(=N\c2cccc(Cl)c2Cl)NC1=O 13776124 ABMWPKZIKIXCFU-ZROIWOOFSA-N 379.268 4.894 30 40 GJEB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 25761680 OPGFGDNFRNOFSE-IORJBQBJSA-N 385.463 4.783 30 40 GJEB C=CCN1C(=O)COc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc21 32593407 DBLYCFLRADWEIE-UHFFFAOYSA-N 398.871 4.718 30 40 GJEB N#Cc1cccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1 72275407 RQJYKISYZWJWQS-UHFFFAOYSA-N 397.887 4.625 30 40 GJEB CCOc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)cc1 102511276 YJPHBALNFNVMCL-MOBKVPTQSA-N 399.446 4.712 30 40 GJEB C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223412617 JUNGLOAOHGOAAD-NRFANRHFSA-N 384.907 4.512 30 40 GJEB CCCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1 408843322 FJZUHMXUEAQKJB-UYRXBGFRSA-N 382.485 4.684 30 40 GJEB CCOc1ccc(/C=N\c2ccc(N(C)C)cc2)cc1I 408907838 PDRVBMWIVMJNEY-UNOMPAQXSA-N 394.256 4.507 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(OC)c2)C(=O)N1CC 408912102 LAEOXDIKUZOWOQ-QNQNADBQSA-N 396.512 4.890 30 40 GJEB COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)ccc1OCCC(C)C 6047003 RXWRQZSGLLBONK-WSDLNYQXSA-N 390.867 4.918 30 40 GJEB O=C(O)c1ccc(/C=N/Nc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 6786466 AOERJZVBWRUARX-YSURURNPSA-N 392.415 4.642 30 40 GJEB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2ccc(C#N)cc2)c2ccccc2)c1 6887212 NJBXLJXYHDQMPI-QFIPXVFZSA-N 384.435 4.712 30 40 GJEB C=CCOc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 8051102 WHHUXWONOZQLHG-UHFFFAOYSA-N 379.884 4.707 30 40 GJEB N#Cc1c(-c2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)[nH]c1=O 28616631 UBUROHJTRWRVJQ-UHFFFAOYSA-N 388.279 4.908 30 40 GJEB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 44973478 RSUGNIJRZKUJOE-INIZCTEOSA-N 394.544 4.762 30 40 GJEB COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OC)c4ccccc34)S2)cc1 59433569 IRZDRGGDEHSVDP-DEDYPNTBSA-N 390.464 4.749 30 40 GJEB O=C(/C=C1/SC(=S)N(c2ccccc2)C1=O)c1c[nH]c2ccc(Cl)cc12 77024416 BEFYRWCVTVHILD-RQZCQDPDSA-N 398.896 4.953 30 40 GJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(/C(C)=N/N)cc1 105522721 NBJZIYFIRXAZCL-WZXLXTKGSA-N 382.920 4.971 30 40 GJEB COc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c1OC 408881879 MKZUTZYEQHKWMT-YBEGLDIGSA-N 388.876 4.557 30 40 GJEB O=C(/C=C/c1ccccc1[N+](=O)[O-])C(C(=O)c1ccccc1)=C1SCCS1 701929 SDOGYIANWSEDSO-ZHACJKMWSA-N 397.477 4.752 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)S2)cc1 4688203 FNCOEDJVIAGEHD-UDWIEESQSA-N 388.496 4.689 30 40 GJEB N#CCSc1ccccc1NC(=O)CNc1ccccc1Cc1ccccc1 11623553 PABWMICOAKQKIZ-UHFFFAOYSA-N 387.508 4.944 30 40 GJEB CCOc1cc(Br)cc(/C=C2\Sc3ccccc3C2=O)c1O 13550397 WWVGOYFBJSEJLJ-NVNXTCNLSA-N 377.259 4.883 30 40 GJEB C[C@H](Oc1ccc(Br)cc1Cl)C(=O)N(C)C1(C#N)CCCCC1 14197942 MKWUSOWZLFDYFZ-LBPRGKRZSA-N 399.716 4.555 30 40 GJEB CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 30882565 FFXIYKHJRXEHOM-QTEQDKRBSA-N 397.538 4.633 30 40 GJEB biogenic,in-vitro C=CCNc1oc(-c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)nc1C#N 36358728 PZPFOYJDVXLFHB-UHFFFAOYSA-N 383.407 4.893 30 40 GJEB CCOc1cc(C/C(O)=N\[C@H](CC(C)C)c2ccccc2N)ccc1C(=O)O 95618791 OSCVKZCOJUTUFD-LJQANCHMSA-N 384.476 4.652 30 40 GJEB world Cc1cncc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)c1 585293887 BMAKYGGEUZUZPB-LJQANCHMSA-N 390.516 4.584 30 40 GJEB CC(C)n1cccc1CN1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1 585294494 GWVRTKLXYRLLEH-JOCHJYFZSA-N 386.503 4.811 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1Cl)c1ccco1 1440011 SDKQWBBEBXXKRY-SFHVURJKSA-N 379.799 4.716 30 40 GJEB N#Cc1c(NC(=O)c2cccc(Br)c2)sc2c1CCCCC2 2745169 SWNDWTMZPDIPOR-UHFFFAOYSA-N 375.291 4.903 30 40 GJEB N#Cc1c(-c2ccncc2)cc(-c2ccc(Br)cc2)c(C#N)c1N 4853445 FUOOEBROSVWLFY-UHFFFAOYSA-N 375.229 4.504 30 40 GJEB Cc1cc(Br)c(O)c(/C=N/c2cccc(NC(=O)C(C)C)c2)c1 5959415 UEKMITWTGIZZSG-KEBDBYFISA-N 375.266 4.808 30 40 GJEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)s1 32891890 CSUMMPPIKFCWCV-GFCCVEGCSA-N 377.535 4.520 30 40 GJEB Oc1ccc(/C=N\Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 36237438 ZIHBWWIPSDXFIG-IWIPYMOSSA-N 382.423 4.668 30 40 GJEB O[C@@H](c1ccc2ccccc2c1-c1c([C@H](O)[C@@H]2CO2)ccc2ccccc12)[C@@H]1CO1 95611696 XSHBWGANXOEJEI-JPMIEVGJSA-N 398.458 4.524 30 40 GJEB COc1ccc(/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 100349634 QSLBKDJFWZYYQZ-PXLXIMEGSA-N 380.469 4.555 30 40 GJEB O=C1/C(=C\Nc2ccc(I)cc2)Sc2ccccc21 100419164 VYXWZLDFROAAPJ-NTEUORMPSA-N 379.222 4.533 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(C(F)(F)F)c1 409401272 AXPUNUWWGXXECU-UHFFFAOYSA-N 393.368 4.965 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C)c(C)c1 4664384 CUUUQUBCYZWQTF-FOLIBTTPSA-N 382.485 4.642 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O 7036953 LEDDFDIMSCZUDF-DEDYPNTBSA-N 395.480 4.805 30 40 GJEB Cc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](C)CC1=O)N2 10339525 ZXMLKZUXXFNDHP-PEBXRYMYSA-N 386.455 4.647 30 40 GJEB COc1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c(OC)c1OC 12861778 YWTQUCHNPIQJPC-NDENLUEZSA-N 396.439 4.674 30 40 GJEB biogenic COc1ccc(/C=C2\Oc3c(cc(CN4CCC(C)CC4)c(O)c3C)C2=O)cc1 28182409 LFTVDBHBZMJKQU-MTJSOVHGSA-N 393.483 4.557 30 40 GJEB C=CCN(Cc1ccccc1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 79019389 WARCTCQGESJJSA-SANMLTNESA-N 382.407 4.534 30 40 GJEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCCC2)cc1 225754412 DMXTWDGFQNXAQD-UHFFFAOYSA-N 378.472 4.805 30 40 GJEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408588698 CHQRDBRFKNHRIY-ZVHZXABRSA-N 387.395 4.596 30 40 GJEB Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(C(C)C)cc2)S1 408753951 RYEZUGNDEJHNHY-WOJGMQOQSA-N 381.457 4.918 30 40 GJEB CN1C(=O)/C(=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 409115984 KSWZLHFFUVYJBY-MSERELCXSA-N 377.513 4.868 30 40 GJEB CC1(C)Cc2ccc(Cl)c(NC(=O)N3CCc4c(CC#N)cccc4C3)c2O1 599785568 YTAQHAMHNPFVEW-UHFFFAOYSA-N 395.890 4.710 30 40 GJEB N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(N)=O 969818 WLDQHGHEMLVXPK-UHFFFAOYSA-N 379.872 4.518 30 40 GJEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C1=O 981674 HZDMBLXCRDXGDD-XNTDXEJSSA-N 381.881 4.748 30 40 GJEB COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1OC 4852249 IEZGGIAFSHDYIX-VZUCSPMQSA-N 393.464 4.914 30 40 GJEB CCN(CC)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 6405449 VFFZIFIBXVBXLS-WSDLNYQXSA-N 380.370 4.906 30 40 GJEB CC(C)c1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608143 UWFUJNLSBYFVBU-APPDUMDISA-N 390.409 4.688 30 40 GJEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccsc3)s2)c(C(F)(F)F)c1 40110820 BPTKSGRBONJQEP-UHFFFAOYSA-N 393.415 4.938 30 40 GJEB Cc1csc([C@H](C#N)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)n1 41515778 YNUGSEWOXHOYKQ-MRXNPFEDSA-N 376.485 4.532 30 40 GJEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 214901156 BFIFOCWKAMKHHI-CXUHLZMHSA-N 399.269 4.557 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3OCC(=O)O)c2C#N)C1 409213595 SHKIZSXIUFPJON-DMLJIOBRSA-N 396.512 4.985 30 40 GJEB Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2F)c(C#N)c1C 870714 MJPCWESKNHBTDJ-UHFFFAOYSA-N 393.443 4.880 30 40 GJEB COc1ccc(/N=C2\NC(=O)/C(=C\c3cccc(C(F)(F)F)c3)S2)cc1 4704673 WBXWDUBVEPYGRB-XNTDXEJSSA-N 378.375 4.606 30 40 GJEB C[C@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 6052341 HKUGTSHSYGTXQE-INIZCTEOSA-N 386.407 4.535 30 40 GJEB C/N=C1\S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)N1C 9264541 JZGPOZDIMVQOOP-DYEBMTOPSA-N 375.497 4.779 30 40 GJEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1c[nH]c2ccc(Br)cc12 15008815 COBYKQHIOTVEAX-LZYBPNLTSA-N 398.285 4.822 30 40 GJEB Cc1noc2c1[C@H](c1cccs1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 20734224 JEFKPYRKGZMBSC-YUNKPMOVSA-N 378.453 4.708 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1CC 32611889 QPKCPUPZJOHRHK-UHFFFAOYSA-N 396.491 4.563 30 40 GJEB C=C(Cl)C[S@@](=O)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 40071058 ABISBPXXUPRIRV-SANMLTNESA-N 386.904 4.549 30 40 GJEB Cc1nn(C)cc1C(=O)/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1 47380340 LPAHREFJEFKFPD-ZHACJKMWSA-N 379.847 4.530 30 40 GJEB O[C@@H](c1ccc2ccccc2c1-c1c([C@@H](O)[C@H]2CO2)ccc2ccccc12)[C@@H]1CO1 95611699 XSHBWGANXOEJEI-MNHALERFSA-N 398.458 4.524 30 40 GJEB COc1cc(Br)c(/C=C2/CSc3ccc(F)cc3C2=O)cc1O 96765598 XTRZDLFMTYKAHG-WMZJFQQLSA-N 395.249 4.674 30 40 GJEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CCOc1ccc(Cl)cc1 225862993 SOWYPMWDIUEVPS-UHFFFAOYSA-N 386.282 4.919 30 40 GJEB CC(C)N1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2[C@H](C)CC1(C)C 260573782 ZUHWKPSXGILSIQ-AQXNZCSYSA-N 381.480 4.936 30 40 GJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C 408709778 WYVAAFWHFJOPMY-UHFFFAOYSA-N 383.330 4.563 30 40 GJEB CCc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)cc1 408932609 YDGARGZVTVZWFS-BLFRMDKKSA-N 396.512 4.508 30 40 GJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)C1=O 409066401 MYUUDSWMCGOHPN-CPNJWEJPSA-N 382.485 4.715 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 409102571 DKBVRIRULVFNGQ-OQLLNIDSSA-N 389.816 4.521 30 40 GJEB COc1ccccc1COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C#N)c1C 596810433 UNYDRUDPNZIZDW-FXAWDEMLSA-N 393.487 4.787 30 40 GJEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 17077140 SQQCMRQOCTVUPP-INIZCTEOSA-N 377.275 4.551 30 40 GJEB N#CCCN(C(=O)CN1CCC[C@H]1c1ccccc1Cl)c1ccccc1F 57992794 PRRNVKUDFCLBNV-IBGZPJMESA-N 385.870 4.563 30 40 GJEB C=CCN(Cc1ccc(Cl)s1)C(=O)CCC(=O)N[C@@H](C)c1ccccc1 89905517 FRGYSMOXCFSTHF-HNNXBMFYSA-N 390.936 4.574 30 40 GJEB O=C1/C(=C\c2ccc(O)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1 100371771 IDLTVWNJYIPTEI-NFYBBCHUSA-N 376.437 4.789 30 40 GJEB C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OC)c1OC 409075115 URGAJEOMNZERSG-UHFFFAOYSA-N 394.467 4.560 30 40 GJEB C=CCSc1nnc(-c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)o1 4039445 NPXCPYFKNCMXSZ-UHFFFAOYSA-N 394.283 4.532 30 40 GJEB C(=N/Nc1ncnc2c1cnn2-c1ccccc1)\c1ccc2c3c(cccc13)CC2 4610696 VBBSPSAIJHXHGY-UVHMKAGCSA-N 390.450 4.513 30 40 GJEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6473707 LSHODPFAMAGXGU-PDGQHHTCSA-N 391.408 4.746 30 40 GJEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)sc1C 6812805 REQXVCUVTMHPRL-INIZCTEOSA-N 396.493 4.604 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1F 33684851 CCSRMKWHJDFDSQ-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB CCOc1cc(C#N)ccc1C(=O)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 98175228 USMBUTVSASHPPZ-UHFFFAOYSA-N 379.199 4.597 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]2(C)C1=O 105543435 BCCCZZPVWYISIP-WYRGVJBTSA-N 376.500 4.553 30 40 GJEB CCOc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1 409200859 JTBURAXHADEREU-JWGURIENSA-N 381.453 4.604 30 40 GJEB CCOC(=O)c1ccc(/N=C2/C(=O)N3c4c2cc(C)cc4[C@@H](C)CC3(C)C)cc1 2334274 MPBYQWYJOXKULP-BIGRUVCHSA-N 390.483 4.925 30 40 GJEB CC(C)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1 5033940 IHLATHYGFOKHRA-CXSMVCKMSA-N 380.469 4.742 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F)c1ccccc1 6813744 WFJZGMDZNBVRMU-FQEVSTJZSA-N 391.373 4.748 30 40 GJEB COc1ccc(CN/N=C/c2c(OC(C)C)ccc3ccccc23)cc1OC 20196072 OINGAWOLMXBGHU-MFKUBSTISA-N 378.472 4.768 30 40 GJEB Cc1sc(NC(=O)CSCc2coc(-c3ccccc3)n2)c(C#N)c1C 40140459 JTUDGQBWUITART-UHFFFAOYSA-N 383.498 4.764 30 40 GJEB CN1/C(=C\C(=O)c2ccc(I)cc2)Sc2ccccc21 100501114 FLLHYUJRMMOZGE-MHWRWJLKSA-N 393.249 4.557 30 40 GJEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1ccc2ccccc2c1 104238082 BWCNQUAZIJEXGE-MHWRWJLKSA-N 393.786 4.532 30 40 GJEB C=CCOc1ccc(Br)cc1/C=N/Nc1nc2ccccc2n1CC 408692703 SLIIYAXPGMZMCW-FYJGNVAPSA-N 399.292 4.830 30 40 GJEB Fc1cc(/C=N\c2ccc(I)cc2)ccc1N1CCCC1 409088895 MDRSZTXSEZWLCR-NDENLUEZSA-N 394.231 4.781 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccco1 2445469 ZHTSIGIXHBHXLC-UHFFFAOYSA-N 390.468 4.608 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 6221635 JVGPPGKLNVMFNL-VXLYETTFSA-N 386.751 4.862 30 40 GJEB Cc1nc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)c(C#N)c(C)c1C 7097471 JMKSHWAZVVIFLS-OAHLLOKOSA-N 379.485 4.594 30 40 GJEB O=C(/C=C/N1CCN(c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl 16428057 IMDKPZVUPVCOAQ-BQYQJAHWSA-N 379.262 4.651 30 40 GJEB O=C(O)c1cc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)ccc1Cl 18039863 FQMNHZAKZUAKIO-UFFVCSGVSA-N 380.791 4.621 30 40 GJEB CCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71782848 FVOFOTKYRCADHJ-ITHHBNOISA-N 390.527 4.938 30 40 GJEB C=CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 208843942 CIHLDKNFTDSUDV-QGOAFFKASA-N 397.272 4.820 30 40 GJEB Cc1nsc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1C#N 550788021 PSBSJRDWEJFWJA-UHFFFAOYSA-N 381.423 4.502 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 4993390 JWQWIHXBHQECLZ-HSZRJFAPSA-N 386.495 4.910 30 40 GJEB CSc1ccc(/C=N/Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 6761451 MPQVKYNVSDYWGQ-RGVLZGJSSA-N 382.514 4.936 30 40 GJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)c12 8229818 WZRJSTUKHOJBSR-VAWYXSNFSA-N 386.411 4.588 30 40 GJEB COc1ccccc1CN/N=C/c1cn(Cc2ccc(C#N)cc2)c2ccccc12 20763525 NFPFXLMIBIJKQL-LQKURTRISA-N 394.478 4.694 30 40 GJEB CCOC(=O)c1cccc(N/C(C)=C/C(=O)c2ccc(Br)cc2)c1 32100461 DNPIWDJKOZLSQN-ACCUITESSA-N 388.261 4.824 30 40 GJEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(NC4CC4)o3)cccc2c1=O 36358061 PATLJPXZKPALGH-UHFFFAOYSA-N 383.407 4.869 30 40 GJEB COc1cc(C(=O)/C=C/c2csc(-c3ccccn3)n2)ccc1OC(F)F 40139741 XKVXVGXLLYTJGE-VOTSOKGWSA-N 388.395 4.711 30 40 GJEB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCOCC2)c1 225772465 FPELVGFUQDAUHT-UHFFFAOYSA-N 392.499 4.588 30 40 GJEB C=CCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1C(F)(F)F 225954728 JIPMFYZDWAATAF-UHFFFAOYSA-N 399.409 4.532 30 40 GJEB O/N=C\c1ccc(OCc2cccc(Br)c2)c(Br)c1 226325897 HKOIQMOUFVBGPQ-IUXPMGMMSA-N 385.055 4.599 30 40 GJEB C#CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OC 408604023 CRWIBKSUIJXRKV-UHFFFAOYSA-N 398.659 4.874 30 40 GJEB C/N=C1/S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)N1C 408928402 AVMAQRFRRPUOJY-LYXOMWPRSA-N 391.290 4.549 30 40 GJEB CC(=O)OC[C@H]1CC(=O)C=C2CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]21C 521205752 DHLPPJXZMGAVDG-HUSZFKJUSA-N 386.532 4.513 30 40 GJEB Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc(CC#N)cc4)cc3)nc12 12553784 ATFRSHSQICTBQB-UHFFFAOYSA-N 396.450 4.540 30 40 GJEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(OC)cc1 40127458 ICQGILMKHZXMTR-UHFFFAOYSA-N 396.472 4.649 30 40 GJEB C=CCSc1ccccc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 219805463 OIWOXZPSGQLCSK-UHFFFAOYSA-N 386.948 4.889 30 40 GJEB N#Cc1c(OCc2cccc3ccccc23)nn(Cc2ccccc2Cl)c1N 225839926 GYFQILNUPBYXRC-UHFFFAOYSA-N 388.858 4.771 30 40 GJEB N#Cc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 226317509 NRYWTWDXCVBUEM-UHFFFAOYSA-N 380.572 4.624 30 40 GJEB CCOc1cc(C#N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 1075570 PTEBHKORBFHWTP-UHFFFAOYSA-N 379.243 4.915 30 40 GJEB C=CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OCC 2081171 RQARMSPEYGVGBL-ATVHPVEESA-N 383.831 4.648 30 40 GJEB C/C(=N\Nc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-])c1ccccc1 4593048 LJBDYEYJNULRNS-LFVJCYFKSA-N 388.427 4.992 30 40 GJEB COc1ccc(C(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1OC 4849134 BUWXJFMLEZWGSO-UHFFFAOYSA-N 392.480 4.716 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 5619042 BXCSHYNIBWCABB-LLVKDONJSA-N 391.418 4.759 30 40 GJEB COC(=O)c1ccc(COc2ccc(/C=N/N3[C@@H](C)CCC[C@H]3C)cc2)cc1 12614088 MRWRZIZDSZOKQY-BLIDDSJASA-N 380.488 4.649 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F 13564369 RXTOYZWXQSFLSG-WXFUMESZSA-N 395.474 4.533 30 40 GJEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1OCC 13914390 LHVVPGNVDWDHNV-LDADJPATSA-N 386.448 4.515 30 40 GJEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)o2)S1 18122806 MHNSWYVHSXPRAK-WJDWOHSUSA-N 387.892 4.733 30 40 GJEB N#Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c(F)c1 1408544 RKQKZJVUVUREKL-UHFFFAOYSA-N 392.777 4.806 30 40 GJEB O=C(Nc1cccc(C(F)(F)F)c1)O/N=C/c1c(Cl)nc2sccn12 2557528 HJRPMSFHUBTOMK-FBCYGCLPSA-N 388.758 4.651 30 40 GJEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 3154712 QYCRCOXGSNNIPG-OAQYLSRUSA-N 397.515 4.730 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/C2=C(C#Cc3ccccc3)CCCC2)c([N+](=O)[O-])c1 4273529 HJALSCRBLBLRPI-PXLXIMEGSA-N 390.399 4.823 30 40 GJEB Cc1cccc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 4868786 VOSOQWYETOMIEU-UHFFFAOYSA-N 384.888 4.896 30 40 GJEB COc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)c(Cl)c2)NC1=O 5376407 WGQSXCQKEVPFBL-NVNXTCNLSA-N 379.268 4.894 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(C)cc1 5500401 HLRFNKCSWUHSTA-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB CCOc1cc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)ccc1O 5530996 PDUMMXQIWQWOSN-BHGWPJFGSA-N 390.468 4.909 30 40 GJEB CCSc1nncn1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1 36611348 WXKCFVMXIZEBDW-DNTJNYDQSA-N 397.287 4.751 30 40 GJEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 39759512 QRQMRLGFTYYWIU-UHFFFAOYSA-N 384.907 4.756 30 40 GJEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccc(Cl)cc1 408741697 NIRLCZMFUQTFAZ-ZSOIEALJSA-N 393.693 4.994 30 40 GJEB CCc1nnc(S)n1/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408873845 XLMGHLFAHPHSTE-OEAKJJBVSA-N 388.496 4.744 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)nc1 408890960 JBBAAXGMLSESQJ-SSDVNMTOSA-N 382.807 4.668 30 40 GJEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O 409039102 BMHRGTGDWHOPEO-XDHOZWIPSA-N 378.497 4.689 30 40 GJEB COc1ccc(/N=C2/S[C@H](Cc3ccc(C)cc3)C(=O)N2CC(C)C)cc1 409162458 VLUJTBMDBCEGOZ-QAHCAUCSSA-N 382.529 4.834 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(F)cc1 969100 LSGZDZKSWMKQJQ-VXNXHJTFSA-N 395.474 4.533 30 40 GJEB CC(C)[C@@](C)(C#N)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2639238 JXNUDADHABZFCC-HXUWFJFHSA-N 396.541 4.505 30 40 GJEB Cn1nc(C(F)(F)F)c(/C=N/OCc2ccc(Cl)cc2Cl)c1Cl 3041174 LLMHIVZDECBWRC-DENHBWNVSA-N 386.588 4.950 30 40 GJEB Cc1cc(C(=O)CO/N=C/c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 3353004 QPGUBNKHSBIJHT-FOKLQQMPSA-N 388.370 4.522 30 40 GJEB CCOc1ccc2ccccc2c1/C=N/Nc1nncc(-c2ccccc2OC)n1 4660089 ZMHQBJJDMUPXOD-ZVHZXABRSA-N 399.454 4.545 30 40 GJEB C=CCn1c(S[C@H](C(C)=O)c2ccccc2)nc2sc(CC)cc2c1=O 8745762 UAKLTKOWCWTTKU-QGZVFWFLSA-N 384.526 4.629 30 40 GJEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10810788 HOLYJAIUCRPQTI-AWEZNQCLSA-N 380.831 4.555 30 40 GJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)cc1 40285579 MPLXDPLOGRYTHC-INIZCTEOSA-N 398.344 4.766 30 40 GJEB CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)c(O)c1 100324591 URAKQROFWQKFAL-YDZHTSKRSA-N 380.517 4.620 30 40 GJEB C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223412562 JUNGLOAOHGOAAD-OAQYLSRUSA-N 384.907 4.512 30 40 GJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 226336397 LLEQTEWJLDIXAE-WEVVVXLNSA-N 391.250 4.771 30 40 GJEB COc1ccc(N/N=C2/C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 408726956 WYXTTXXCXCYTST-DAFNUICNSA-N 386.407 4.853 30 40 GJEB O=[N+]([O-])c1ccc(COc2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 408911740 OJAGJBKBPMEYNL-BKUYFWCQSA-N 392.371 4.528 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)S2)cc1 408960104 BTOLQTIJLVNIKE-VGOFMYFVSA-N 395.267 4.599 30 40 GJEB CCCOc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1OC 1914458 QUHGHOFSGLAAFW-YDZHTSKRSA-N 396.516 4.558 30 40 GJEB CCOP(=O)(OCC)[C@H](/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 2347489 QQLBWLRMMSCAFU-OGBKAESYSA-N 376.349 4.979 30 40 GJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 3114823 GVASUBRAZDFEGU-HZHRSRAPSA-N 391.427 4.750 30 40 GJEB C=C1C[C@@H]2[C@@H]3CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 4026391 WJFDQNDYQVFWKP-AKZSSJSASA-N 396.527 4.741 30 40 GJEB biogenic N#CCCn1cc(/C=N/Nc2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 5446348 XLZVXQHHLNXLFD-FSJBWODESA-N 390.447 4.659 30 40 GJEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Cc1cccc2ccccc12 5482764 FWMJDSKILRVQTD-UHFFFAOYSA-N 397.478 4.956 30 40 GJEB C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1OC(F)F 5695160 DMEGDJXDXIAXQW-PGGKNCGUSA-N 382.317 4.602 30 40 GJEB CC(C)(C)c1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O 5726705 RZGUKKVUCCZXNH-ZMOGYAJESA-N 378.472 4.617 30 40 GJEB C=CCc1ccccc1OCCn1c([C@@H]2CCCN2C(C)=O)nc2ccccc21 33317715 QOYDGVQKDMLJAT-QFIPXVFZSA-N 389.499 4.527 30 40 GJEB C[C@@H](/C(O)=N/c1ccccc1C#N)N(C)Cc1ccccc1N1CCCCC1 82094224 PQZUCVDMMIEZLJ-SFHVURJKSA-N 376.504 4.657 30 40 GJEB O=C(Nc1nnc(/N=C/c2cccs2)s1)c1ccc(Cl)cc1Cl 100808800 MPTSVNYJIUCMQI-REZTVBANSA-N 383.285 4.909 30 40 GJEB Cc1cccc(Cc2c(N)cc(C#N)n2Cc2ccc(Br)cc2)c1 225855509 SDNPNXBRLDVUKH-UHFFFAOYSA-N 380.289 4.652 30 40 GJEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408855000 LOWSOPDDANPVTE-FOKLQQMPSA-N 396.830 4.895 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1CC 408910585 IQVSRUQCTCWSTO-BIXZQSIESA-N 381.457 4.781 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 7939554 SDLYBQNMOQMAJN-DHZHZOJOSA-N 379.368 4.768 30 40 GJEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)cc1OCC 23402570 JLKTVWZOVIIHBJ-ZHZULCJRSA-N 388.467 4.520 30 40 GJEB Cc1ccc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c(C)c1 59109371 DBLLRKQAOVWFQG-UHFFFAOYSA-N 382.261 4.531 30 40 GJEB C=CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(OCC)c1 226328907 KCDRAGWQVCKWFN-UHFFFAOYSA-N 391.261 4.770 30 40 GJEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226340162 PBKARBDNCKZFIE-UHFFFAOYSA-N 397.627 4.611 30 40 GJEB Fc1ccc(-c2ccc(/C=N/NC(=S)NCc3ccccc3)o2)cc1Cl 4575963 OWMDJVVXCABKOB-FSJBWODESA-N 387.867 4.737 30 40 GJEB CCCC[P+](CCCC)(CCCC)c1c(O)cnn(-c2ccccc2)c1=O 4828405 ZETZUFVRCLLFLJ-UHFFFAOYSA-O 389.500 4.981 30 40 GJEB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc([N+](=O)[O-])cc1 6338638 HSTLQDIITPRRTP-JLHYYAGUSA-N 396.406 4.739 30 40 GJEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1 6655071 DQDGPJBMAPMJDO-LSHDLFTRSA-N 396.343 4.699 30 40 GJEB N#Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1Cl 7580780 XCZBEAQAAZAPNF-UHFFFAOYSA-N 385.876 4.507 30 40 GJEB COc1ccccc1N1COc2ccc3c(c2C1)O/C(=C\c1cccs1)C3=O 13690618 UGJNZWSEJZTTDH-JAIQZWGSSA-N 391.448 4.729 30 40 GJEB COc1cc(/C=C/C(=O)c2ccc(N3CCCCCC3)cc2)cc(OC)c1O 32639087 RFKHODPKBMAZPD-KPKJPENVSA-N 381.472 4.686 30 40 GJEB COc1cccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)c1OC 33313254 HMAWJZVNJQLQCO-MHWRWJLKSA-N 388.876 4.557 30 40 GJEB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 253499234 ZNSPUNVBZGKQFL-QHJPLMBXSA-N 386.576 4.897 30 40 GJEB biogenic COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408869001 QWOPGGAGBXYBHJ-IUXPMGMMSA-N 383.860 4.722 30 40 GJEB N#Cc1ccsc1NC(=O)CCN(Cc1ccc(F)cc1)C1CCCCC1 32739746 PCXDUQOKPVVETB-UHFFFAOYSA-N 385.508 4.922 30 40 GJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(OC)cc3OC)nc1-2 59459296 IJLXOLVDQNSNNF-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB CCCCC[C@@H](/C=C\[C@@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)OC)OC(C)=O 104132204 KURMKPDMINCWHJ-PKXGCGCVSA-N 390.520 4.716 30 40 GJEB COc1cc(=O)oc(/C(C)=C/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@@H]23)c1C 230140599 LRRJYOPCACBLEA-MHWPPRIHSA-N 386.488 4.588 30 40 GJEB biogenic,in-vitro COc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1C 5793014 WAUCZGLLUCSOQA-QGMBQPNBSA-N 399.082 4.985 30 40 GJEB CCc1sc2nc(S[C@H](C)C#N)n(Cc3ccc(C)cc3)c(=O)c2c1C 6079134 ACHUBNBTPSIXLB-CYBMUJFWSA-N 383.542 4.690 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 9328159 KBPVKMXNYBPVME-UHFFFAOYSA-N 394.887 4.631 30 40 GJEB C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 40066923 GZHYWZOJUZVKDF-LBPRGKRZSA-N 394.254 4.742 30 40 GJEB CCOc1cc(/C=N\O)cc(Br)c1OCc1ccccc1Cl 103841763 LKMMSCKHQFNYEN-OCKHKDLRSA-N 384.657 4.888 30 40 GJEB O=C(Nc1ccccn1)/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccccc1 104302120 XQCRSOLOBJGKML-JXAWBTAJSA-N 377.831 4.552 30 40 GJEB Cc1cc(N2CCCC2)c(F)cc1/C=C1\S/C(=N/c2ccccc2)NC1=O 108153838 FWHVQLDQQAQOGR-UYRXBGFRSA-N 381.476 4.626 30 40 GJEB CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1OC 947382 XSGOAEVFEXCBGI-RNVIBTMRSA-N 396.512 4.804 30 40 GJEB CNC(=S)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 4868053 KINWPSFNMLWKPJ-PCLIKHOPSA-N 384.508 4.725 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)cc2)cc1 6426992 KWVUJULFQGGCBN-OAQYLSRUSA-N 387.435 4.675 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 21238125 MQNDXWYIGMFIGE-HXUWFJFHSA-N 379.416 4.522 30 40 GJEB CC[S@](=O)c1ccccc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 22416494 UMFFFPQEYXCVCD-MUUNZHRXSA-N 389.476 4.710 30 40 GJEB C=CCOc1ccc(NC(=S)NCCCc2ccccc2OCCC)cc1 225626201 LCOBJTLWGDZFLC-UHFFFAOYSA-N 384.545 4.959 30 40 GJEB O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1Cl)c1ccccc1 5448665 DNNBHIKGRGWOFD-LJQANCHMSA-N 390.826 4.518 30 40 GJEB O=C(O)c1ccc(N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 5516441 LDDVZIKVICTNPY-DHRITJCHSA-N 387.414 4.973 30 40 GJEB C=CCn1c(C)cc(-c2csc(NC(=O)CCc3c(C)noc3C)n2)c1C 7777213 NPIIFXKADSUZCO-UHFFFAOYSA-N 384.505 4.591 30 40 GJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C(C)(C)C)c32)cc1O 20716415 GSHAUYKOPGUFRQ-QGZVFWFLSA-N 396.487 4.887 30 40 GJEB C=CCn1c2nc(C)c3c(c2c(=O)n1-c1ccccc1)CC[C@H](c1ccccc1)C3 170622728 QEOJAZYIVDVGFB-FQEVSTJZSA-N 395.506 4.954 30 40 GJEB CCOc1ccc(/C(C)=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 409053197 YKKOJDQVLPPENN-FYJGNVAPSA-N 382.445 4.953 30 40 GJEB CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N/c1ccc(F)cc1 409246100 DWRNDRVPVHYPQL-XSGZQOPMSA-N 376.840 4.809 30 40 GJEB Cc1cc(Br)cn2c(CN[C@@H](CCCC#N)c3ccccc3)cnc12 582308266 KKAYGAQDEJRPFS-IBGZPJMESA-N 397.320 4.930 30 40 GJEB CC(C)(C)N1CC[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 596734116 XMOKXJGTPUNCSZ-SFHVURJKSA-N 392.503 4.592 30 40 GJEB Cc1ccc2nc(SCC(=O)Nc3ccc(F)c(Cl)c3)c(C#N)cc2c1 4848895 RJCDKNWMKBBVOI-UHFFFAOYSA-N 385.851 4.938 30 40 GJEB Cc1nn(-c2ccccc2)c(C)c1CNCc1cn(CCC#N)c2ccccc12 9118195 YUTRHQHIHBMJGN-UHFFFAOYSA-N 383.499 4.647 30 40 GJEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1N1CCC(Cc2ccccc2)CC1 16742183 ZGSYLLMKPVUUIA-UHFFFAOYSA-N 388.427 4.581 30 40 GJEB CCCOc1ccc2ccccc2c1/C=N/NCc1ccc(OC)c(OC)c1 20196070 HHGGMFHOQFIJIN-PCLIKHOPSA-N 378.472 4.770 30 40 GJEB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cccc(C#N)c2)cc1C 25104563 RTZQPNJUCABMIM-UHFFFAOYSA-N 382.463 4.678 30 40 GJEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(Cl)c(Cl)c1)CCCC3 44393339 AYXVQQIFTJIEMJ-ODCIPOBUSA-N 378.284 4.526 30 40 GJEB CCCOc1ccc(CN(CCC)C(=O)c2cccc(C#N)c2)cc1OCC 60389101 VHCHFTQDWFUGIL-UHFFFAOYSA-N 380.488 4.798 30 40 GJEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)s1 224693263 QPXXIRDWXLEQCP-CYBMUJFWSA-N 383.926 4.574 30 40 GJEB Cc1ccc(COc2nn(Cc3cccc4ccccc34)c(N)c2C#N)c(C)c1 225849122 DMBZSIBKBDBJJG-UHFFFAOYSA-N 382.467 4.734 30 40 GJEB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1c(C)cccc1C 408906062 GYTXDQBTQUJYIM-XUHQXNLQSA-N 396.512 4.945 30 40 GJEB CN(C)c1ccc(/C=C/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409094926 GOVXKYFTLBZDPQ-DMRDCZSUSA-N 378.354 4.791 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409111750 COBRELLPMCJERV-WQRHYEAKSA-N 395.886 4.904 30 40 GJEB O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1cccc(F)c1 3103118 KBRQJLGCGHLXDO-UHFFFAOYSA-N 398.253 4.628 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)CN(C)Cc3ccc(Cl)s3)c2C#N)C1 8161190 YOSYAQQKHVMVOB-LLVKDONJSA-N 393.965 4.530 30 40 GJEB Cc1cccc(/C=N/c2cc(Br)c(O)c(Br)c2)c1O 8320966 XAWBBZMGMFTRQI-REZTVBANSA-N 385.055 4.682 30 40 GJEB Cc1ccc(C2CC(=O)C(=CNc3[nH]nc(C)c3-c3ccccc3)C(=O)C2)cc1 100123501 UGQCPDYVSARSPW-UHFFFAOYSA-N 385.467 4.705 30 40 GJEB C/C(=N\c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643575 GPIWLTHFWGGHCS-BUVRLJJBSA-N 399.406 4.745 30 40 GJEB CCCCCCCCCCCCN[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100990015 CTGVDGAJAUCSOP-OAQYLSRUSA-N 388.552 4.838 30 40 GJEB COc1cc(/C=N\OCc2ccccc2)ccc1OCc1cccc(C(=O)O)c1 408859426 UFHVWTJUHUKRLH-OYKKKHCWSA-N 391.423 4.523 30 40 GJEB C#CCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 409047575 ONADJNRBUVACKJ-OQLLNIDSSA-N 378.236 4.923 30 40 GJEB C=CCOc1cccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 409344239 IISRDSXFKNFOPY-BOPFTXTBSA-N 398.465 4.565 30 40 GJEB C=CCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 2161128 NJVWBLJUYWHSPY-DKOVKCOZSA-N 388.511 4.587 30 40 GJEB biogenic COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)cc1 16215911 WHLACBMMGQXNES-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB biogenic CCCCCCCCCCCC1=C(O)C(=O)C=C(N[C@@H]2CCCC[C@H]2N)C1=O 100393419 ATEGLZMPWLFFLM-RTBURBONSA-N 390.568 4.615 30 40 GJEB biogenic,in-vitro CCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 100732942 NRQDIJMGRGMJSE-TXTKFYIRSA-N 382.609 4.808 30 40 GJEB C#CCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 409030565 GHIKUUWWOFWCRL-MWYAZZEHSA-N 393.306 4.605 30 40 GJEB C=CCOc1ccccc1/C=C1/SC(Nc2ccccc2OCC)=NC1=O 35644760 SECSUDIDBDYHPV-XMHGGMMESA-N 380.469 4.733 30 40 GJEB COCCNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 39841541 YHJWPKAZWZREEE-UHFFFAOYSA-N 383.835 4.504 30 40 GJEB C=C(C)COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 219792557 BJNYXKMUGYXMAZ-HXUWFJFHSA-N 381.472 4.682 30 40 GJEB C(=N/N1CCOCC1)\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 945064 NQVRPDMPJACCQX-LGUFXXKBSA-N 381.479 4.964 30 40 GJEB C=CCn1c(SCc2cccc(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 25432997 STABMUWDSNGYDZ-SFHVURJKSA-N 399.903 4.922 30 40 GJEB Cc1ccc2c(c1C)N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)/C2=N\O 46084679 HZOPHUFJRGDWNF-GFMRDNFCSA-N 380.488 4.595 30 40 GJEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Cl)c(O)c(Cl)c1 59105860 KPSZCYYCPHYMQM-NTUHNPAUSA-N 383.231 4.730 30 40 GJEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CSc2ccccn2)c1 60279591 MAFXPQROEWHDDQ-INIZCTEOSA-N 389.480 4.652 30 40 GJEB Cc1ccc(N2C(=O)/C(=C\C(=O)c3c[nH]c4ccccc34)SC2=S)cc1C 77024389 ZZYOCYAEBAEKMV-VXLYETTFSA-N 392.505 4.916 30 40 GJEB COc1cc(/C=C/C(=O)c2c(Cl)n(C)c3ccccc23)cc(OC)c1OC 96026280 GJOQLHMRTSPYSU-MDZDMXLPSA-N 385.847 4.754 30 40 GJEB CSc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1C#N 3104731 AVHVCDAMSVQNLT-UHFFFAOYSA-N 390.439 4.903 30 40 GJEB CC(=O)O/N=C1/CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 4027762 GLZBXEUOJGEPEI-NUJDPVLESA-N 389.536 4.880 30 40 GJEB biogenic COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 12563126 FTMBEXJAWIRRAO-AWEZNQCLSA-N 383.517 4.645 30 40 GJEB COc1cccc(/C=C2\Oc3cc(OCC(=O)c4ccccc4)ccc3C2=O)c1 12858488 ROIRPTRDQLALBK-QRVIBDJDSA-N 386.403 4.573 30 40 GJEB biogenic Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccc(CC#N)cc1 17183328 FDLBLQCPMXEFSP-UHFFFAOYSA-N 396.903 4.631 30 40 GJEB O=C1CCCC2=C1C(c1ccc(Br)s1)C1=C(CCCC1=O)O2 18195792 YSMVERHEDDBYCE-UHFFFAOYSA-N 379.275 4.639 30 40 GJEB Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 21349496 JGYIUOVMWBOWAM-RNODOKPDSA-N 378.453 4.708 30 40 GJEB N#C[C@@H]1[C@H](c2ccccc2OCc2ccccc2)CC(=O)N1Cc1ccccc1 26896051 CKJFHSWJICRUCJ-XZOQPEGZSA-N 382.463 4.674 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)cc3)nc2c1 35316017 RCVQKXZFDCBBHU-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB CCOc1ncccc1C(=O)N1CCCS/C1=N\c1ccccc1C(C)C 89988898 IVUOCXVZVWACKL-LNVKXUELSA-N 383.517 4.871 30 40 GJEB N#Cc1c(-c2cn(Cc3ccccc3)c3ccccc23)c2c([nH]c1=N)CCCC2 408980837 SWBIABHKYDAOFP-UHFFFAOYSA-N 378.479 4.915 30 40 GJEB CCCCOc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccc(C)cc1 409021259 ZPWFQFBTBVQMTP-XQNSMLJCSA-N 396.512 4.640 30 40 GJEB COc1cccc(/C=N/c2ccc(F)cc2)c1OCc1ccc(C(=O)O)cc1 409186634 FUEIWLAHSJZBKY-ZMOGYAJESA-N 379.387 4.862 30 40 GJEB N#Cc1cccc(OCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)c1 7151352 VWRVJYBCGBIAJJ-NRFANRHFSA-N 386.476 4.817 30 40 GJEB N#Cc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1 8135413 UKDVJWWMFVTSPN-UHFFFAOYSA-N 378.435 4.722 30 40 GJEB COc1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 35288887 NQISKVPMHGDMIB-UHFFFAOYSA-N 391.496 4.969 30 40 GJEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc2c(c1)OCO2 35648024 JFVWAQOFEVZCDQ-VGOFMYFVSA-N 393.251 4.614 30 40 GJEB O=C(Oc1ccc(/C=N/c2cccc(Br)c2)cc1)c1ccncc1 100852754 QVPAXGYFJQLKDM-LPYMAVHISA-N 381.229 4.814 30 40 GJEB N#C[C@@H](C(=O)CSc1nc2ccccc2s1)c1nc2ccccc2s1 2706986 IHNXVNBKSITPCU-NSHDSACASA-N 381.507 4.875 30 40 GJEB CC(C)(C)C(=O)[C@H]1[C@H](c2cccs2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366080 AVMNBUDOFJBVKZ-ZCNNSNEGSA-N 387.508 4.890 30 40 GJEB O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(I)cc2)c1 100201549 XDVMISSAPHCKRF-PXNMLYILSA-N 386.576 4.603 30 40 GJEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1COc1ccccc1 223681928 OCWRXOARSCCIOB-UHFFFAOYSA-N 398.491 4.955 30 40 GJEB COc1ccc(OC)c(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c1 408738305 JVEZNLMJKUWZKU-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB Cc1c(C(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)ccc(C(F)(F)F)c1F 572589855 YNSZKPDVCXDHFN-ZBFHGGJFSA-N 376.353 4.532 30 40 GJEB CCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br 1850347 BHZWBQPHPLFZSV-UHFFFAOYSA-N 389.087 4.959 30 40 GJEB Cc1ccc(S(=O)(=O)/N=C(/Nc2c(C)cccc2C)c2ccccc2)cc1 6131938 MNVCFPVJGFBHPS-UHFFFAOYSA-N 378.497 4.859 30 40 GJEB C=C(C)Cn1cnc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O 9422511 ZUXALWQGAVRNFZ-UHFFFAOYSA-N 383.517 4.557 30 40 GJEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CCCCCC1 9547256 CQMSSGUJVOIWDM-UHFFFAOYSA-N 387.936 4.698 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508486 PWQGLTOZXWPJJS-ISKGJRNQSA-N 394.559 4.789 30 40 GJEB O=C1CCCC(NC2CCCCC2)=C1C(=O)Nc1ccc(Cl)c(Cl)c1 255186943 ADVXEQCULVXKJA-UHFFFAOYSA-N 381.303 4.861 30 40 GJEB COc1cc(C)c(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)cc1OC 408549725 XSCREVCTCCGELC-ODLFYWEKSA-N 382.485 4.521 30 40 GJEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C)c1 408913430 UKPGSKQMCVSZQD-UCQKPKSFSA-N 391.427 4.937 30 40 GJEB N#Cc1cc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nc2ccccc12 542965180 GMQFLCHKOLGQGD-LJQANCHMSA-N 383.373 4.703 30 40 GJEB N#Cc1cccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 3299843 MXKIHQUEQRSQOV-HSZRJFAPSA-N 380.403 4.821 30 40 GJEB O=C(CON=C1c2ccccc2-c2ccccc21)N[C@H]1CCCc2ccccc21 3311418 SNNPFNNDTDYQPJ-QHCPKHFHSA-N 382.463 4.630 30 40 GJEB O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1)c1cccc(Cl)c1 4672142 WCROMZPYLAENDA-WSDLNYQXSA-N 395.802 4.957 30 40 GJEB C/C(=N\NC(=S)NC1CCCCC1)c1ccc2ccccc2c1OC(F)F 5506271 CTBKPNPVNXPMNG-ZMOGYAJESA-N 391.487 4.962 30 40 GJEB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 14257275 NBNTUJREPLPSQI-UHFFFAOYSA-N 387.276 4.664 30 40 GJEB CCOc1c(Br)cc(/C=C2/COc3ccccc3C2=O)cc1OC 96767412 PJSJTIKOWZQFJC-JYRVWZFOSA-N 389.245 4.515 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(F)cc1 409240267 GDLRGJCUDHKZIP-XSGZQOPMSA-N 376.840 4.809 30 40 GJEB CSc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(C)c2C#N)cc1 664496 YJLINUJUYVPYHN-UHFFFAOYSA-N 397.447 4.733 30 40 GJEB Cc1ccccc1Nc1nc2nonc2nc1N/N=C/c1cccc2ccccc12 4180903 JZJNTXKFKYBQFR-YDZHTSKRSA-N 395.426 4.664 30 40 GJEB Cc1nc(SCC(=O)c2cccc(Br)c2)c(C#N)c(C)c1C 4734296 YRJLPUAQKQUUBD-UHFFFAOYSA-N 375.291 4.616 30 40 GJEB O=S(=O)(/N=C(\Nc1nc2ccccc2s1)c1ccccc1)c1ccccc1 6144728 HVIPODQSGGDBKB-UHFFFAOYSA-N 393.493 4.544 30 40 GJEB Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1 6198045 HQHJNSCPLSXPPK-SRZZPIQSSA-N 380.860 4.628 30 40 GJEB C#CCOc1c(Cl)cc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc1OC 10275664 LBJJOOBHOIEHFV-NTEUORMPSA-N 397.814 4.517 30 40 GJEB Cc1noc2c1[C@H](c1cccs1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 21349502 JGYIUOVMWBOWAM-XCLFUZPHSA-N 378.453 4.708 30 40 GJEB C=CCN(Cc1ccccc1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 79019391 WARCTCQGESJJSA-AREMUKBSSA-N 382.407 4.534 30 40 GJEB Cc1cc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(C)n1C 409290153 KGUULZSEKBNNSN-UHFFFAOYSA-N 396.450 4.647 30 40 GJEB Cc1[nH]c2ccccc2c1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409403501 MJLYFCJYDOCJQQ-UHFFFAOYSA-N 378.435 4.735 30 40 GJEB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)CCc2nc(O)ccc21 584908162 HGHAVFPJYXWFAX-ACCUITESSA-N 378.409 4.636 30 40 GJEB COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1OC 4729028 CUJQKPIQOCCCCD-KMYWASMBSA-N 394.559 4.811 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N/c3cccc(C)c3C)NC2=O)cc1OC 4980248 WJCWUSXPCPCTLZ-UNOMPAQXSA-N 382.485 4.602 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccccc1 6018785 HOKDIDNVQXZAOE-KLPPEWMLSA-N 382.485 4.718 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC 17167206 OTZQDSGBLAHDJG-UYRXBGFRSA-N 395.480 4.669 30 40 GJEB N#Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1 22865312 FEMSWSRMMXTFEW-UHFFFAOYSA-N 387.386 4.877 30 40 GJEB C=CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(C)cc1 33762946 UTNGZTAKIDWXMC-UHFFFAOYSA-N 395.528 4.961 30 40 GJEB Cc1cnc2c(S(=O)(=O)/N=C(O)/C=C/c3ccc(Cl)cc3)cccc2c1 40145345 MPDFVMIDROTSIS-JXMROGBWSA-N 386.860 4.555 30 40 GJEB O=C1C=C(c2ccccc2)/C(=N/Nc2ccccc2)C(=S)N1c1ccccc1 104227287 MBYSGARXWYUDLV-LVWGJNHUSA-N 383.476 4.912 30 40 GJEB C/N=C1\S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C(=O)N1C 208241023 NMVCXQFVGNPFHJ-YNYSAVAOSA-N 377.941 4.594 30 40 GJEB C=CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 226307118 ZIRJDMSJCNHTAM-UHFFFAOYSA-N 395.636 4.665 30 40 GJEB Cc1ccc(/C(=N\NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)c2ccccc2)cc1 5411853 HCYYFERPYHMTTB-OAFDPHIXSA-N 392.524 4.790 30 40 GJEB CCNC(=S)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 6630245 XVDLYWKRYRVOCG-QFEZKATASA-N 386.524 4.661 30 40 GJEB CCOc1ccc2c(c1C)O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O 8991460 GCGYCBPZQRCUER-SRZZPIQSSA-N 377.440 4.993 30 40 GJEB COc1ccc([C@@H]2CCCC/C2=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 18056510 RUVQVERNARCLQB-TXCMAPRMSA-N 384.392 4.637 30 40 GJEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C(F)(F)F)cc3)S2)cc1 18272414 BTQZLHDQRZDWQK-GDNBJRDFSA-N 378.375 4.606 30 40 GJEB CN1C(=O)/C(=N/N=C2\CCCc3c2[nH]c2ccc(C(C)(C)C)cc32)c2ccccc21 20028437 XIJYCRLQCSIOTQ-KOGQQRPNSA-N 398.510 4.972 30 40 GJEB CCCCCCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 138826195 LTMJBIVFHXWTAZ-UHFFFAOYSA-N 389.451 4.842 30 40 GJEB COc1cc(/C=N/c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)cc1 408966787 ODKDPOXHDMUSBA-ZMOGYAJESA-N 379.387 4.862 30 40 GJEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C(=O)N1CC 408967616 RGOFCIPJLUWQDE-DJOYVXLESA-N 381.545 4.969 30 40 GJEB COc1ccc(C(=O)/C(C#N)=N/Nc2c(Cl)cc(Cl)cc2Cl)cc1 2146914 YENPGPTTYQHCFV-KGENOOAVSA-N 382.634 4.830 30 40 GJEB COc1ccc(/C=C2/S/C(=N/c3cccc4ccccc34)NC2=O)c(OC)c1 5529687 UKPVZWBNGFIZTA-UDWIEESQSA-N 390.464 4.749 30 40 GJEB Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)c(C(=O)O)c3)N(C)C2=O)s1 5795619 WFMHHJJPINBCDW-ZOBMXMCISA-N 392.889 4.642 30 40 GJEB Cn1c(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc2ccccc21 7343374 JMQRWLMICBUPIM-SRZZPIQSSA-N 395.806 4.841 30 40 GJEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc(C(F)(F)F)c2)c1O 16386069 HIQWGZORAPFCRP-FBCYGCLPSA-N 389.127 4.832 30 40 GJEB CN(C)CCC(/C=C/c1ccccc1)=N/Nc1c(F)c(F)c(F)c(F)c1F 17194753 MWGDFAJJQLTKSL-KFKOHWMFSA-N 383.364 4.815 30 40 GJEB COc1ccccc1CSc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N 21428173 NZGIEAFPHHEYTC-UHFFFAOYSA-N 389.480 4.815 30 40 GJEB C=CCNc1nnc(Sc2ncnc3sc4c(c23)CCCCC4)s1 32717215 GDLSZHHGPDCUKC-UHFFFAOYSA-N 375.548 4.561 30 40 GJEB CCN1c2cc(C)c(/C=N/Nc3ncccc3[N+](=O)[O-])cc2C(C)=CC1(C)C 208509658 KJTSRSVYRUORSQ-YDZHTSKRSA-N 379.464 4.766 30 40 GJEB C=CCSc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219820577 PKIWREXVDBFLDI-UHFFFAOYSA-N 382.529 4.690 30 40 GJEB C#CCOc1ccc(Br)cc1/C=C1\Sc2ccccc2NC1=O 409108787 VYHVZGMFRHUEBN-BOPFTXTBSA-N 386.270 4.546 30 40 GJEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)c1 409327077 HPMQFZJWZSTUFY-QGOAFFKASA-N 383.494 4.666 30 40 GJEB CCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O 2346177 ZFWKTTDPEDHJEY-MJHJUBQXSA-N 395.528 4.638 30 40 GJEB Cc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccncc1 4145546 BZSLPKBMZASEDP-UHFFFAOYSA-N 383.480 4.802 30 40 GJEB CCOC(=O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)c1ccccc1 4763622 NVAGFFPCMMRKRE-NBVRZTHBSA-N 391.379 4.684 30 40 GJEB C=CCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 4898803 KBJAYNRZNZDJQC-UHFFFAOYSA-N 392.484 4.949 30 40 GJEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2cc(OC(=O)C3CC3)ccc21 5157980 GILVOIJTQIIQFX-MFOYZWKCSA-N 375.207 4.925 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1onc(C(C)(C)C)c1[C@@H]2c1ccc(O)c(O)c1 20723446 MPKLWPLZYLEYPF-MRXNPFEDSA-N 382.460 4.584 30 40 GJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC 33624706 KCCZZFBZJUWHMP-WXYNYTDUSA-N 377.828 4.880 30 40 GJEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 208205124 RVYCSFFJYMABTI-XMOVILSBSA-N 397.435 4.671 30 40 GJEB Cc1oc(/N=C/c2cc(Br)c(O)c(Br)c2)c(C#N)c1C 408723184 OHKGREPPOKLALB-NGYBGAFCSA-N 398.054 4.749 30 40 GJEB CCN1C(=O)/C(=C/c2ccoc2)S/C1=N/c1ccc(N2CCCCC2)cc1 408928708 DTPJXQMSFREZIA-GKVQKNEHSA-N 381.501 4.894 30 40 GJEB CCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 409035357 PPVPGCBOSVBENX-GYRAYZOKSA-N 383.311 4.992 30 40 GJEB Cc1nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3O)ccc2n1Cc1ccccc1 13756583 AROWRXXAWPNFSD-YDZHTSKRSA-N 386.411 4.757 30 40 GJEB C=CCn1c(C)nnc1S[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 22377741 ZYNUFHZYYPFRAH-SNVBAGLBSA-N 395.410 4.695 30 40 GJEB C=CCn1cc(C(=O)N[C@H](C)c2ccc(OCC)c(OC)c2)c2ccccc21 58022966 FCTCRZPVBRVXQT-MRXNPFEDSA-N 378.472 4.726 30 40 GJEB O/C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)=N\c1c(F)cccc1F 82117112 WLGUXCKVGBJSHN-KRWDZBQOSA-N 388.414 4.551 30 40 GJEB Cc1cc(/N=C/c2ccc(N3CCCC3)cc2)ccc1I 100252261 XOGIEDUOQHXYMA-DEDYPNTBSA-N 390.268 4.950 30 40 GJEB N#CC(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F 100435826 LYIPDZSLYLDLCU-RXMQYKEDSA-N 389.067 4.627 30 40 GJEB in-vitro C=C(C)COc1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1 219777802 SHYGRSPYSWTWNS-UHFFFAOYSA-N 375.921 4.958 30 40 GJEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 408560598 LOBGXHOHJPNDDZ-UHFFFAOYSA-N 399.347 4.844 30 40 GJEB N#Cc1ccc2ccccc2c1CNc1ccccc1CN1CCC(CO)CC1 685940207 AXSYOGJEHQFUNM-UHFFFAOYSA-N 385.511 4.528 30 40 GJEB CCO[P@](=O)(C#Cc1ccccc1)[C@H](O)c1ccc(Br)cc1 2320466 FDZBNGFRCJXPSR-HTAPYJJXSA-N 379.190 4.764 30 40 GJEB N#C/C(=N\Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1nc2ccccc2s1 4965806 WNUXGBSBEDUFHS-FSJBWODESA-N 391.334 4.563 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc(Cl)c1 5499194 CXNCORUHKJDJLL-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB CCc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(=O)[nH]2)cc1 5634201 FKWADLVMRHTHIF-UHFFFAOYSA-N 379.257 4.905 30 40 GJEB O=C(O)CCn1cc(/C=C/C(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 5786105 HYMLXODFFHUXNP-BJMVGYQFSA-N 398.821 4.713 30 40 GJEB CCCCCCOc1ccc(/C=N/n2c(S)nnc2CCC)cc1OCC 5845541 BQZXPOHEYRHQMO-RCCKNPSSSA-N 390.553 4.759 30 40 GJEB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC#N)cc3)S2)cc1Cl 6215959 GXAQFIJXXKRRPT-YVLHZVERSA-N 383.860 4.633 30 40 GJEB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3nncc4ccccc34)o2)cc1 6560006 VIQCRTZLKKEYNA-ZVHZXABRSA-N 386.411 4.513 30 40 GJEB Cc1nc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(C#N)c(C)c1C 7097468 JMKSHWAZVVIFLS-HNNXBMFYSA-N 379.485 4.594 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCc2sccc2C1 26708604 RTUCREDTZPQZSP-UHFFFAOYSA-N 376.506 4.969 30 40 GJEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3F)n2)cc1 33011146 DPFNQKXVRIGAIQ-UHFFFAOYSA-N 377.444 4.799 30 40 GJEB N#Cc1ccc(CCC(=O)NCCc2csc(-c3ccccc3Cl)n2)cc1 95443900 DBBJAYVLVJVZKF-UHFFFAOYSA-N 395.915 4.627 30 40 GJEB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=S)Nc3ccccc3)cc21 208455384 XSHIFYFDEAHNCY-UCQKPKSFSA-N 378.545 4.947 30 40 GJEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)cc1C 223728849 OBBZKEXOIQUEGE-FLFQWRMESA-N 379.529 4.705 30 40 GJEB CC[C@H](C)Oc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408594636 UOBCKNNIEDBNTQ-PUFAJPFRSA-N 392.839 4.985 30 40 GJEB N#Cc1ccc2c(c1)CN(C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C2 594238660 SPPYUDXVHOTANQ-LJQANCHMSA-N 385.389 4.754 30 40 GJEB C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O 1150767 BYVIFFANVONOLN-PDGQHHTCSA-N 383.856 4.589 30 40 GJEB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c1C 1965037 OQLKGMITJFKPIM-UHFFFAOYSA-N 383.256 4.664 30 40 GJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 2055499 IMQMIXKSJPTBJV-NRFANRHFSA-N 397.515 4.643 30 40 GJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(F)c(Cl)c3)nc2c1 4849008 BIVMCHHHOIRWNW-UHFFFAOYSA-N 385.851 4.938 30 40 GJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 4936338 PHFFAYUDDXIRGO-IBGZPJMESA-N 399.874 4.727 30 40 GJEB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccsc3)cc2)cc1 6024021 VJMUZXLCJVUHOQ-NYYWCZLTSA-N 383.494 4.753 30 40 GJEB Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1NC(=O)c1ccccc1 8334582 ZULLSAMPVDLYND-WSDLNYQXSA-N 396.834 4.801 30 40 GJEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(Br)cc1 100250335 JKMIDPRBXMDAQM-OCKHKDLRSA-N 384.657 4.888 30 40 GJEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 219780415 STGQAGREHYNIKA-UHFFFAOYSA-N 392.499 4.956 30 40 GJEB C=CCOc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cccc1OC 408536227 YUOSLIJUWKVFKE-GHRIWEEISA-N 389.542 4.794 30 40 GJEB CN(N=C(/C=N/N(C)c1ccccc1)/C=N/N(C)c1ccccc1)c1ccccc1 1603905 LNTNHRWHOBVRQC-FQHZWJPGSA-N 398.514 4.723 30 40 GJEB C=C[C@H]1C[N+]2(Cc3ccccc3)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 12959281 RTHFVUKMXCJYPA-GUZBUDQHSA-N 385.531 4.880 30 40 GJEB OC(C#CCN1CCCC[C@H]1c1cccnc1)(c1ccccc1)c1ccccc1 55236246 VFORLDQRPVZGNE-VWLOTQADSA-N 382.507 4.548 30 40 GJEB biogenic CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 102798863 HMLMZJYYJAOSSB-MOBKVPTQSA-N 399.446 4.712 30 40 GJEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 208247250 JQDDDLKRLHAUEF-OWGFIJSYSA-N 387.871 4.811 30 40 GJEB COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1 254874849 NNCNSHNFEQCDKK-UHFFFAOYSA-N 378.379 4.517 30 40 GJEB CC(=O)O[C@@H]1C[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1C(C)=O 409421760 YWCAMUNPTULUPQ-NTVVZZRISA-N 386.532 4.511 30 40 GJEB CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)ccc1O 1069522 JVFXHPBANCXJCF-QFIPXVFZSA-N 386.451 4.904 30 40 GJEB N#Cc1cccc(C(=O)N2CCCS/C2=N\c2cccc(C(F)(F)F)c2)c1 7141316 RMABDPCBFKCWJP-MOHJPFBDSA-N 389.402 4.844 30 40 GJEB COc1ccc(/C=C/c2nc(C#N)c(N[C@H](C)c3ccccc3)o2)cc1OC 8535359 BMBBHEANEKDWIB-HBIYDYFMSA-N 375.428 4.907 30 40 GJEB Cc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)c1 32950896 IGRVQRMYHBZBNU-UHFFFAOYSA-N 393.439 4.784 30 40 GJEB COc1ccc(C(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1OC 35315990 YJZBOKGWEPYUIX-UHFFFAOYSA-N 392.480 4.716 30 40 GJEB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1 39379208 HHUZEGXVVUZZPD-DQBGNPMRSA-N 388.467 4.849 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 96118972 ZZCLFVCHZVPTRZ-YXPYNSSVSA-N 396.575 4.869 30 40 GJEB CCOC(=O)/C(=C/C=C1\Sc2ccccc2N1CC)C(=O)c1ccccc1 4595366 ILVIDDUIMRTPAY-BJOFFIMRSA-N 379.481 4.832 30 40 GJEB N#Cc1c(NC(=O)CSc2ccc3ccccc3n2)sc2c1CCCC2 5626906 UTKAPIMQSLFKJB-UHFFFAOYSA-N 379.510 4.778 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 6562624 PRLQPPZOLHFQRX-QGZVFWFLSA-N 388.250 4.758 30 40 GJEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 6910619 QUKZNMWTVUYRTL-GOSISDBHSA-N 399.903 4.922 30 40 GJEB COc1ccc(-c2nnc(SC[C@@H](C#N)CCC#N)n2C2CCCCC2)cc1 7193561 KAOGTLRCBPEIAO-MRXNPFEDSA-N 395.532 4.995 30 40 GJEB C=CCSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)c1C#N 7276125 JGFUBAQTWVOHDE-UHFFFAOYSA-N 380.391 4.934 30 40 GJEB CCOc1ccc(/C=C/c2nc(C#N)c(NCCc3ccc(OC)cc3)o2)cc1 8323893 CVHQPVOZRQHBTB-MDWZMJQESA-N 389.455 4.779 30 40 GJEB C=CCn1c(-c2ccccc2)nn(CC(=O)Nc2ccc(C)cc2C)c1=S 8549644 HXNJTUDGVMTLPK-UHFFFAOYSA-N 378.501 4.523 30 40 GJEB CC1=Nc2ccccc2N/C(=N\C(=O)CN2CCCCC2)[C@@H]1c1ccc(F)cc1 14607993 DOJJJYCEVKABKU-QFIPXVFZSA-N 392.478 4.538 30 40 GJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(F)ccc1Br 23881717 GXMKOQNTICHSJN-UHFFFAOYSA-N 395.231 4.635 30 40 GJEB O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)/C(=N/O)S1 36633779 UPQOEVSSXPYRDC-XQEBGNCTSA-N 384.848 4.544 30 40 GJEB CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 51366881 TZMLSDXOSJFJPP-SGHGKNEPSA-N 389.883 4.723 30 40 GJEB N#Cc1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 58157863 JRWUWUQSRHFVIE-JOCHJYFZSA-N 375.859 4.529 30 40 GJEB CS[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]12 90556925 FWRDLPQBEOKIRE-LDDHNZGVSA-N 388.573 4.936 30 40 GJEB CCCCCCCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1CC 408560541 JZRZXGJBOQFCSC-QGZVFWFLSA-N 388.581 4.780 30 40 GJEB COc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1OC 409055531 ZEGCRAFIIQWHKM-XLNRJJMWSA-N 381.453 4.569 30 40 GJEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 409108927 YVSAPIPEXKIJEU-CIAFOILYSA-N 389.839 4.616 30 40 GJEB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1N=C1CCCCCC1 1426352 WTWZLIXUSAEWHQ-HXUWFJFHSA-N 378.432 4.872 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1C 2204079 KCZPSEBFOWCRFS-UHFFFAOYSA-N 392.528 4.733 30 40 GJEB COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c1 12862967 JYCRLAIDGRFHJU-QRVIBDJDSA-N 388.419 4.899 30 40 GJEB biogenic C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)CCCCC4)c1ccccc1 13800239 PYNOHBTWPLEGPQ-AFUMVMLFSA-N 391.500 4.549 30 40 GJEB Cc1ccc(C(=O)C2=CN(c3ccccc3)c3ccccc3S2(=O)=O)cc1 32984140 KSDMMBSSNROQEL-UHFFFAOYSA-N 375.449 4.645 30 40 GJEB CC(=O)OC[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C 48056557 DHLPPJXZMGAVDG-YVFVAIBTSA-N 386.532 4.513 30 40 GJEB C/C(=N\c1cc(C)ccc1O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370451 CNVMHMHMJRALDH-PCLIKHOPSA-N 384.435 4.851 30 40 GJEB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(/N=C2\C=C(O)C(=O)c3ccccc32)cc1 103702266 HHUZEGXVVUZZPD-MHCWAEDLSA-N 388.467 4.849 30 40 GJEB C=C(C)Cn1c(SCCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 2373170 NPOGREFOVYYWMP-UHFFFAOYSA-N 378.563 4.778 30 40 GJEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 5856902 NYAFWGPWUICPIN-MFOYZWKCSA-N 387.229 4.627 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 9310471 STXOAJHPCYVRNJ-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB C=CCn1cnnc1Sc1nc(-c2cccs2)nc2sc(C)c(C)c12 12777817 YCIVGEIDDIEJGJ-UHFFFAOYSA-N 385.543 4.965 30 40 GJEB C[C@@H](NC(=O)CSc1nc2ccccc2n1CCC#N)c1cccc(Cl)c1 32957490 IIZPLXREXXKZTE-CQSZACIVSA-N 398.919 4.573 30 40 GJEB O=C(/C=C/C1=Cc2cc(Br)ccc2OC1)c1ccc([N+](=O)[O-])cc1 40154956 LFABUUFLGGGPBP-LREOWRDNSA-N 386.201 4.572 30 40 GJEB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C#N)c1 225773990 HGBPOXOYCGQGGM-UHFFFAOYSA-N 392.499 4.733 30 40 GJEB C#CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OC 408556967 LHDSSARFRPGONI-UHFFFAOYSA-N 380.669 4.735 30 40 GJEB CC(C)c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)C)c1O 408850867 SOXOHFISWKJAQG-JMIUGGIZSA-N 386.408 4.901 30 40 GJEB Cc1cc(/N=C/c2cccn2-c2ccc(C(=O)O)cc2)ccc1Br 408938827 SJEVBLKQFNILHK-CIAFOILYSA-N 383.245 4.997 30 40 GJEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1ccccc1Cl 409103891 XHOYEHPXJSOPQX-WSDLNYQXSA-N 382.807 4.668 30 40 GJEB C=C1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 4081866 XSNMCQGNVPSIQM-JEYZWYLSSA-N 384.516 4.575 30 40 GJEB biogenic Cc1cc(C)c(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)c([N+](=O)[O-])c1 5276989 CTYUYJDJINYHSH-BHGWPJFGSA-N 399.410 4.649 30 40 GJEB COc1ccc(/C(C)=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 21486456 MTLVTBWASWKHCZ-ZXVVBBHZSA-N 397.522 4.807 30 40 GJEB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 22409826 ZYSHHTMDUUSFFS-RUZDIDTESA-N 395.462 4.583 30 40 GJEB N#CCCN(C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1 31678129 LXYGKRKECXXGNV-UHFFFAOYSA-N 381.435 4.551 30 40 GJEB COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)c1OC 103686886 IAWWAJOHDYMCMW-PIJRJAKLSA-N 396.512 4.964 30 40 GJEB C=CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(CC2CC2)CC1 257313598 UTHYZLWVFHFPQB-UHFFFAOYSA-N 388.555 4.691 30 40 GJEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 9110548 ZCUCYXVNEXZKSD-LJQANCHMSA-N 393.826 4.712 30 40 GJEB C[N+](C)(CC(=O)c1ccc(Br)cc1)CC12CC3CC(CC(C3)C1)C2 12371962 OQBUUBRIPYAEIX-UHFFFAOYSA-N 391.373 4.925 30 40 GJEB C=C(C)CSc1nnc(SCc2nc(-c3ccc(OC)cc3)no2)s1 12857806 IILAVSKIKIXLFA-UHFFFAOYSA-N 392.531 4.557 30 40 GJEB C=CCOc1c(Br)cc(/C=C2/C(=O)Nc3ccccc32)cc1OC 15011370 TWQOMNDNZWJBKQ-NTEUORMPSA-N 386.245 4.515 30 40 GJEB O=[N+]([O-])c1ccc(/C=N\CCCCCC/N=C/c2ccc([N+](=O)[O-])cc2)cc1 17376601 IDCYZFYGYYOLTF-KBNZVFGVSA-N 382.420 4.601 30 40 GJEB CCNc1c(/N=C(\O)Nc2ccccc2C(F)(F)F)c(=O)oc2ccccc12 28048733 LXLCPPPXRJIAJB-UHFFFAOYSA-N 391.349 4.901 30 40 GJEB C=CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 57993046 WQMJLNGMULPKQB-UHFFFAOYSA-N 383.404 4.690 30 40 GJEB O=C1COC(=O)/C1=C(/Nc1ccccc1)SCc1ccc(Cl)c(Cl)c1 100849276 XFTMADGJLCDEAQ-MSUUIHNZSA-N 394.279 4.676 30 40 GJEB Cc1ccc(C(C)C)cc1COc1nn(Cc2ccccc2F)c(N)c1C#N 225841468 IUNKNWIBXURQHE-UHFFFAOYSA-N 378.451 4.535 30 40 GJEB C=CCOc1cccc(NC(=O)CSCc2ccccc2Br)c1 408563095 IMSJKVOZSQQTRY-UHFFFAOYSA-N 392.318 4.886 30 40 GJEB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1cc(C)ccc1C 408907377 MQKBNVUEUJEYSB-NMSSZPRHSA-N 396.512 4.945 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2cn(C)c3ccccc23)C(=O)N1C 408913474 MPAZLYFDUBFHRK-DYEBMTOPSA-N 375.497 4.975 30 40 GJEB COc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1O[C@H](C)C(=O)O 409013009 LYJHKZQFUNOUBD-DTVDJLOLSA-N 375.424 4.965 30 40 GJEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc3ccccc13)n1ncnc1N2 4435973 RYAXZGMQPYUCFF-NYHFZMIOSA-N 398.491 4.909 30 40 GJEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)N=C2C)cc1OCC 4543769 JLKTVWZOVIIHBJ-XSFVSMFZSA-N 388.467 4.520 30 40 GJEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 4936313 FNJFIHXNMGSEJN-HNNXBMFYSA-N 394.500 4.684 30 40 GJEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(Nc2ccccc2)cc1 5009232 DMOYZAYNMYMRBS-UHFFFAOYSA-N 398.491 4.757 30 40 GJEB CCO/N=C1/C[C@H](CC(C)C)Cc2nc(NC(=O)c3cccs3)sc21 5194985 YUJOWCJTYDCLPT-ZEFYERGUSA-N 377.535 4.806 30 40 GJEB CCc1nnc(S)n1/N=C/c1c(OCc2ccccc2)ccc2ccccc12 5461291 MQBGDHHEFSVGFC-OEAKJJBVSA-N 388.496 4.744 30 40 GJEB Cc1ccc(N/C(=N/S(=O)(=O)c2cccs2)c2ccccc2)cc1Cl 5572651 BWAFLRAJJNNVEW-UHFFFAOYSA-N 390.917 4.958 30 40 GJEB COc1ccccc1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O 12662570 ACSYGHDAPDSXEB-TZOKSIDISA-N 398.414 4.930 30 40 GJEB biogenic C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc12 20044241 NKSZZFOZLCLNHL-NRFANRHFSA-N 388.467 4.552 30 40 GJEB COc1ccc2c(c1)c(C(=O)C1=CN(C)CCc3c1[nH]c1ccccc31)c(C)n2C 79193149 LBJXVVJZAHLJFP-UHFFFAOYSA-N 399.494 4.688 30 40 GJEB biogenic CSCc1nc2ccccc2n1CC(=O)Nc1ccccc1SCCC#N 95953568 SWBXJXYXKKMMMQ-UHFFFAOYSA-N 396.541 4.544 30 40 GJEB C#CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 226327382 DYABVUNVZJIPKA-UHFFFAOYSA-N 379.239 4.761 30 40 GJEB Fc1ccccc1COc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 408932440 XBIZLBOCHVETSD-YZSQISJMSA-N 390.458 4.992 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OCC 409021205 ZALWZBQACIWSGM-PILJQMSFSA-N 393.892 4.586 30 40 GJEB N#Cc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409300743 AQVPZFWOHCWNIJ-UHFFFAOYSA-N 390.402 4.564 30 40 GJEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(C)C)CC1 585166494 OPJKMGDFKCJPTB-UHFFFAOYSA-N 394.534 4.828 30 40 GJEB CC(C)(C)[C@]1(C#N)C(=O)[C@@H]2[C@@H]3[C@@H](C[C@@H]21)C(=O)C3(c1ccccc1)c1ccccc1 607706741 UNYWJAWKTWOICU-PHGOAHNDSA-N 383.491 4.563 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1C 5798312 OTYJFXBTRLLKJO-UHFFFAOYSA-N 392.484 4.797 30 40 GJEB CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O 6891166 ZFWKTTDPEDHJEY-IIGRLWHBSA-N 395.528 4.638 30 40 GJEB C=CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546566 ACAZZLVHUVINIS-KRWDZBQOSA-N 379.847 4.769 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 16292341 DYARFSOUTKRAIK-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB CCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1 36532947 NCQXLXKULSCVPF-LZHDSBFTSA-N 384.392 4.601 30 40 GJEB C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224959294 FLXFUJLNJWSSGH-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB CCOCCN1C(=O)/C(=C/c2ccccc2OCC)S/C1=N/c1ccccc1 408928746 HCGOEUDAACJAJE-OPAWIXSSSA-N 396.512 4.726 30 40 GJEB C=CCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1 2128754 OVGCAVFMLJGGTQ-DKOVKCOZSA-N 388.511 4.587 30 40 GJEB biogenic C=CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Br)cc12 2774166 ZIFZQPFWJWGLTF-UHFFFAOYSA-N 397.272 4.589 30 40 GJEB O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 4114056 NJRLSEMUTSTBAJ-NJULFELPSA-N 398.414 4.930 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccccc1)C=C1c3cc4c(cc3CCN12)OCCCO4 5451836 RINUBBZLSNRDLP-FQEVSTJZSA-N 399.490 4.851 30 40 GJEB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccccc3F)cc2)cc1 5652792 GKJSKWAMJYTCND-XNTDXEJSSA-N 395.455 4.831 30 40 GJEB CCn1c(Sc2ncccc2C#N)nc2scc(-c3ccccc3)c2c1=O 12522500 VTHZMGQFSZNEAB-UHFFFAOYSA-N 390.493 4.563 30 40 GJEB COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 14855705 DJEATMJSDLMKJZ-UHFFFAOYSA-N 383.495 4.556 30 40 GJEB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)c1ccc(C#N)cn1 58482236 PURSAYLLEHGKQE-UHFFFAOYSA-N 379.485 4.629 30 40 GJEB COc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)c(OC)c1 59224245 MWWIWHAZNYLKJE-IUXPMGMMSA-N 388.876 4.557 30 40 GJEB CCN(CC)c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(O)c1 59426767 GGRZFPPGAOEGKW-NDENLUEZSA-N 395.528 4.747 30 40 GJEB O=C1/C(=C/c2ccc(O)cc2O)S/C(=N\c2ccccc2)N1c1ccccc1 59503512 PIBUKAWOFFVSCG-JDJFWADASA-N 388.448 4.906 30 40 GJEB CCCCCCCCC[C@@H](C)CC(=O)NCCCN(C)CCCCN(C)C 85972617 RLDPSVAZXJQOAE-JOCHJYFZSA-N 383.665 4.933 30 40 GJEB biogenic CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc(O)c2)=C(O)C1 96182636 LEMQEMSZFIOZAJ-UHFFFAOYSA-N 384.472 4.878 30 40 GJEB CCn1c(N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)nc2ccccc21 408692221 HMJMTMTUFWVYPI-BUVRLJJBSA-N 387.487 4.918 30 40 GJEB Cc1c(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cccc1C(=O)O 408961670 UMFUGINWQNYQDU-ZMOGYAJESA-N 389.407 4.721 30 40 GJEB C/C=C1\CN2CC[C@@]34C(=C(C=NNc5ccccc5)[C@H]1C[C@@H]23)Nc1ccccc14 1559568952 OJZNJHNPLYYHOW-WYJPGGHLSA-N 382.511 4.756 30 40 GJEB COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CCC3)c1 4944903 KFPSQFUIJVGCPU-LJQANCHMSA-N 391.467 4.540 30 40 GJEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OCC 33412874 IXRWOKFTKAQKIR-XKZIYDEJSA-N 390.867 4.517 30 40 GJEB CCN(CC)c1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(OC)c1 59105725 ZMIQCVUKHBGRDR-XDHOZWIPSA-N 399.491 4.572 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)cc1 104146220 MPBBYVPYTWJICJ-MRJHHRETSA-N 387.410 4.760 30 40 GJEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 224908983 WRFKLKVFKVIOEB-UHFFFAOYSA-N 383.444 4.999 30 40 GJEB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846824 FFEDBGCLGPHNIL-DRGMGAIOSA-N 390.564 4.998 30 40 GJEB biogenic COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1OC 4729025 CUJQKPIQOCCCCD-NOCVOGCJSA-N 394.559 4.811 30 40 GJEB Cc1ccc([C@H]2C3=C(C[C@H](c4cccc(Cl)c4)CC3=O)Nc3ncnn32)cc1 4776974 OGJTXNCTVAXMDO-KKSFZXQISA-N 390.874 4.656 30 40 GJEB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 5257157 FEMOLFIELHHOCY-ZZXKWVIFSA-N 390.178 4.904 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)o3)S2)c(C)c1 5376719 GCYUEIPJIQCZAL-MDWZMJQESA-N 377.263 4.551 30 40 GJEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2c(O)ccc3ccccc23)c1 5518363 NMJKWDDLQVQYRP-DJKKODMXSA-N 387.189 4.672 30 40 GJEB CCCCCCCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1CC 408560539 JZRZXGJBOQFCSC-KRWDZBQOSA-N 388.581 4.780 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccccc1F 409079822 MJCDJIMNGBBGSU-UNOMPAQXSA-N 395.430 4.848 30 40 GJEB Cc1ccoc1C=Nn1c(-c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 409282106 GCOFWHYEGDXWIJ-UHFFFAOYSA-N 397.356 4.866 30 40 GJEB C=C1[C@H](C(=O)Nc2cccc(SC)c2)[C@H]1C(=O)Nc1cccc(SC)c1 1462531 LSIIURWSSDYPPN-ROUUACIJSA-N 384.526 4.510 30 40 GJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2)CC1 1472960 RKRNBIHXAMSDCL-UHFFFAOYSA-N 395.510 4.557 30 40 GJEB C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccc1 2453054 VCVDSTMLKOIMHU-UHFFFAOYSA-N 392.528 4.733 30 40 GJEB COc1cccc(/C=N/OCc2ccccc2)c1OCc1ccc(C(=O)O)cc1 4743214 FFUSANWNZCHXBF-ZVHZXABRSA-N 391.423 4.523 30 40 GJEB S=C(N/N=C/c1cc(Cl)cc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 5048232 ZRWPRNIYISSONX-UFFVCSGVSA-N 382.360 4.760 30 40 GJEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccc(Cl)cc1)CC2 8115799 KHDRRSFXBVGFBF-XSFVSMFZSA-N 394.652 4.618 30 40 GJEB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 8559748 VUQGLTCKZSOYSR-HRAATJIYSA-N 390.874 4.656 30 40 GJEB C=CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 12111544 DXHSFMVTJIRKJT-JOCHJYFZSA-N 398.934 4.862 30 40 GJEB C=C(C)COc1ccc2c(c1C)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 12879309 LUZAOVJLHFUMDA-NVMNQCDNSA-N 396.439 4.592 30 40 GJEB biogenic CC/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1cccnc1 15980037 BUYDMIQBDBKKQQ-AOZWOVFMSA-N 377.300 4.721 30 40 GJEB N#Cc1ccc(C(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1 28221625 ZCMFKUNLCLXHAY-UHFFFAOYSA-N 384.370 4.667 30 40 GJEB C=CCn1c(SCc2ccc(OC)c(OC)c2)nnc1-c1cccc(C)c1 35682807 URMNCOOICRROLY-UHFFFAOYSA-N 381.501 4.749 30 40 GJEB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(/N=C2\C=C(O)C(=O)c3ccccc32)cc1 39379211 HHUZEGXVVUZZPD-CMYGOEOJSA-N 388.467 4.849 30 40 GJEB O=S(=O)(/N=C(\O)C(c1ccccc1)c1ccccc1)c1ccccc1Cl 48577796 MSOVOONWAVKAGU-UHFFFAOYSA-N 385.872 4.817 30 40 GJEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)C(=O)N1CC 408754416 QRJAPCXAAVARAG-DJOYVXLESA-N 381.545 4.969 30 40 GJEB O=[N+]([O-])c1cc(/C=N\c2ccccc2I)ccc1Cl 409071175 FOLUSEXCBHOXHM-PXNMLYILSA-N 386.576 4.603 30 40 GJEB O=C1CSC(=S)N1/N=C\c1cccc(OCc2cccc3ccccc23)c1 409344514 JODXKPOLSJUKGF-UUYOSTAYSA-N 392.505 4.613 30 40 GJEB Cc1[nH]c(=S)c(C#N)c(-c2ccccc2[N+](=O)[O-])c1C(=O)Nc1ccccc1 5535992 RPTVPIRSBGFOOL-UHFFFAOYSA-N 390.424 4.752 30 40 GJEB C[C@H]1CCc2sc(NC(=O)c3ccccc3Br)c(C#N)c2C1 5920808 AHSDLXHUMNGHMF-JTQLQIEISA-N 375.291 4.759 30 40 GJEB C=CCOc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116937 IYCLRCGANRWEMA-SFHVURJKSA-N 381.863 4.758 30 40 GJEB CCC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]3O)[C@H]12 118924178 HONIPOFOKOETAA-DCJXKKNWSA-N 376.562 4.528 30 40 GJEB N#Cc1cccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 225910127 QGUJPVLRNBOQCM-HNNXBMFYSA-N 388.298 4.716 30 40 GJEB C[C@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 245285145 WATOJXAPBDFTQJ-KZMPDLLWSA-N 378.384 4.969 30 40 GJEB Cc1ccc(/N=C\c2cc(Br)c(N(C)C)o2)c(Br)c1 408847234 MIBKXIKRXSNWJZ-IUXPMGMMSA-N 386.087 4.930 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1CC 408911311 JXCYIXDKGNKGBU-DLTWUOELSA-N 380.469 4.571 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C)cc1 408915986 SSBVZDZBEBNVPP-BIXZQSIESA-N 381.457 4.917 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3c(C)[nH]c4ccccc34)S2)cc1 408952219 LLUGYIWHOFFVQB-XDHOZWIPSA-N 377.469 4.767 30 40 GJEB COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1OC(C)C 408967726 XFXGJJVSAPEELN-LDADJPATSA-N 382.485 4.682 30 40 GJEB N#C[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Cl)cc1 1628132372 DGEBOTVJEMAJTK-INIZCTEOSA-N 377.753 4.835 30 40 GJEB CCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O 2352964 RLTKXTNDESFAPX-RZBVUNJESA-N 375.494 4.521 30 40 GJEB O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 5344244 SOYVQDVNRUQVOK-FRKPEAEDSA-N 384.573 4.670 30 40 GJEB Cc1ccc(-c2ccsc2C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1 5563293 WZRZDQHJUZVYNT-UHFFFAOYSA-N 396.512 4.565 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1C1CCCCC1 6313069 SIDSHLXGTYLKQT-UHFFFAOYSA-N 392.475 4.521 30 40 GJEB N#Cc1c(Cl)nc(NCc2ccccc2)c2c1CCN(C1CCCCC1)C2 13512069 BYQUUNTZBWGWDF-UHFFFAOYSA-N 380.923 4.910 30 40 GJEB C=CCn1c(SCc2cc(C)ccc2C)nc2c([nH]c3ccccc32)c1=O 17026162 XDGLFNKOFXZOQA-UHFFFAOYSA-N 375.497 4.973 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)S/C1=N\c1ccccc1 408911173 ZACLYQHILWENKP-KLPPEWMLSA-N 382.485 4.805 30 40 GJEB O=C(c1ccccc1OC(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)F 575361071 PZLCBNDBZRHRTL-UHFFFAOYSA-N 390.148 4.939 30 40 GJEB COc1ccc(Cc2c(-c3ccc(OC)cc3)oc(=O)c(C#N)c2SC)cc1 988110 RDWXRMYBBYVIQH-UHFFFAOYSA-N 393.464 4.508 30 40 GJEB CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CCN(C)C2 2371898 RRPABYKQDYYMHN-FSJBWODESA-N 394.496 4.522 30 40 GJEB C=CCc1cccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)c1O 2415200 ZSRIOLSISOTHSK-LPYMAVHISA-N 394.500 4.711 30 40 GJEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 4464829 SWNHCTMKIKJXHP-SXGWCWSVSA-N 378.211 4.670 30 40 GJEB COc1ccc(/N=C2/NC(=O)/C(=C/c3c(OC)ccc4ccccc34)S2)cc1 5529735 XRGHPRUJGOVJJP-MOSHPQCFSA-N 390.464 4.749 30 40 GJEB COc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1 8371917 PGJRIZMKHUEORB-PXLXIMEGSA-N 381.453 4.522 30 40 GJEB C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2c(c1)Nc1ccccc1S2 13149579 MSEHBVZYDIOFAM-HYARGMPZSA-N 395.509 4.597 30 40 GJEB N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 36270246 ADILTNIHSQHJEY-LBPRGKRZSA-N 391.330 4.713 30 40 GJEB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 72099113 PSGAAPLEWMOORI-MQKVHBEKSA-N 386.532 4.655 30 40 GJEB biogenic CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCc3c(Cl)cccc32)c1C#N 83992803 XUHMUXSXGYYPCU-QGZVFWFLSA-N 383.904 4.623 30 40 GJEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)ccc1O 213160172 GXMZBHNMLRVWNK-NFYBBCHUSA-N 382.485 4.587 30 40 GJEB C#CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408557432 NJZGAMJVYRXUND-GOSISDBHSA-N 378.280 4.784 30 40 GJEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 408861228 AFTXRKRKQHTPBC-NVNXTCNLSA-N 379.268 4.894 30 40 GJEB COc1ccc(-c2ccc(C#N)c(=O)n2Cc2ccc(Cl)c(Cl)c2)cc1 3128358 FLFKRSVQQZOHIE-UHFFFAOYSA-N 385.250 4.751 30 40 GJEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCCc4ccccc43)nc2c1C 4849073 GEHPNJDRNCZNOW-UHFFFAOYSA-N 387.508 4.795 30 40 GJEB CCN1CC[C@](O)(/C=C/c2ccccc2C)[C@H](C(=O)/C=C/c2ccccc2C)C1 5807725 FRUBACZOYHZTKA-FEEMEASMSA-N 389.539 4.672 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 3166243 UKFQYKGFUXLGPQ-QUCCMNQESA-N 399.284 4.768 30 40 GJEB C=CCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033340 PXMPCXIBJDUFAY-CQSZACIVSA-N 385.389 4.762 30 40 GJEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](F)C[C@@]21C 4934710 YONXONMPECKFJO-RBZZARIASA-N 397.328 4.511 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccco1 5025152 IZGHCINAXXZOMU-UHFFFAOYSA-N 396.516 4.752 30 40 GJEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 7496134 KVTHBDHWGIPBLS-UUOWRZLLSA-N 392.462 4.847 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\Cc1ccccc1 13306350 NXSQJBOZAFYGJE-KAXIZBKFSA-N 381.526 4.549 30 40 GJEB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(OCC)cc2)=NC1=O 35644764 ICCKLCLWAAJFIH-XMHGGMMESA-N 380.469 4.733 30 40 GJEB Cc1ccccc1OCCCN1C(=O)/C(=N\Nc2ccccc2)c2ccccc21 46085245 WYBREWQOVWCUAF-RWEWTDSWSA-N 385.467 4.627 30 40 GJEB O/C(=N\c1ncn(-c2ccccn2)n1)[C@H](Sc1ccccc1)c1ccccc1 95457301 PORHPWZLWQXSSU-LJQANCHMSA-N 387.468 4.784 30 40 GJEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408739422 BRXMYNDGVLFFTJ-BUVRLJJBSA-N 375.472 4.697 30 40 GJEB Cc1nc2c(n1[C@H]1CCN(c3c(C#N)cnc4c(Cl)cccc34)C1)CCCC2 567893862 BYWVRKPPQLZCQP-INIZCTEOSA-N 391.906 4.595 30 40 GJEB CCNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1=O 4667425 KQFRMXRIJMTJPE-JXMROGBWSA-N 392.680 4.791 30 40 GJEB C=C(C)COc1ccc(-c2onc(C)c2-c2ccc(OC)c(OC)c2)c(O)c1 6755178 RKHJHOWUUPRDTL-UHFFFAOYSA-N 381.428 4.995 30 40 GJEB biogenic COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O 13768583 SLBIOZXKKWRBBD-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 104108789 UVPYGOFDQVUWOC-ZHHPLPSFSA-N 397.474 4.659 30 40 GJEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N 153576244 SCVVPFAQVJUJIW-UHFFFAOYSA-N 398.890 4.686 30 40 GJEB N#Cc1ccccc1CO/N=C/c1cccn1-c1cccc(Br)c1 408595713 MOPVFSHFYNHLRW-LPYMAVHISA-N 380.245 4.662 30 40 GJEB Fc1ccccc1COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1 408931381 KXEJDVUMTZWVAP-YZSQISJMSA-N 390.458 4.992 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccn1-c1ccccc1 409407723 VNXHECVCWWTEEK-UHFFFAOYSA-N 390.446 4.736 30 40 GJEB O=C(/C=C/c1ccc2c(c1)OCO2)C(C(=O)c1ccccc1)=C1SCCS1 1083799 VXXNRSGZXGEBOG-SOFGYWHQSA-N 396.489 4.572 30 40 GJEB COC(=O)c1ccc(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 3139132 XSICMYZTWFDJRX-MFKUBSTISA-N 383.403 4.997 30 40 GJEB O=C(C[n+]1cc(-c2ccccc2)n2c1CCCCC2)c1ccc(OC(F)F)cc1 3195214 NZLIFXJZFWZZJR-UHFFFAOYSA-N 397.445 4.653 30 40 GJEB COc1ccc([C@@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CCC3)c(OC)c1 4944892 LRZZTLYKPBPSIB-SFHVURJKSA-N 391.467 4.540 30 40 GJEB CC(C)(C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 6363807 WNDFGDOXJZIRTE-UHFFFAOYSA-N 399.463 4.707 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@@H]21 36614437 ODAGNZWITYICME-XVKFFYRGSA-N 376.500 4.547 30 40 GJEB CCc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc1 38654428 UOVOPKCDQIWALT-UHFFFAOYSA-N 384.483 4.524 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)S2)cc1C 59679084 HBYPMLQKTGCYHN-UDWIEESQSA-N 375.497 4.995 30 40 GJEB CC(=O)/C=C(\C)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O 80325254 BNGQUIHNIPWMRA-BPOBUFBUSA-N 399.288 4.799 30 40 GJEB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC#N 103467176 QSNQPHMCEAYBPK-VGWMRTNUSA-N 386.496 4.609 30 40 GJEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cccs1 225136243 YZBWSWYOGNHFPF-UHFFFAOYSA-N 381.828 4.802 30 40 GJEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1O[C@@H](C)CC 409095717 ILIFXGWFUKZXRK-OVMKCGGTSA-N 392.843 4.665 30 40 GJEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 5856921 RHFNGBPKPPFCGV-MFOYZWKCSA-N 387.229 4.627 30 40 GJEB CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 6262804 MNXKUITWUKVOHE-MFOYZWKCSA-N 387.229 4.627 30 40 GJEB C=CCN(C(=O)CCc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 10444755 FDXFAMOXKSRDJM-UHFFFAOYSA-N 392.480 4.691 30 40 GJEB COc1ccccc1/C=C1\Oc2cc(OCC(=O)c3ccccc3)ccc2C1=O 12862724 YKKIAZDLWJLKHE-QRVIBDJDSA-N 386.403 4.573 30 40 GJEB biogenic Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 12935068 DDVGVUDXETUKLA-UHFFFAOYSA-N 388.254 4.829 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 13161743 FQHVHHMTDMPJCE-OAQYLSRUSA-N 375.468 4.883 30 40 GJEB N#Cc1c(SCc2ccc(Cl)cc2)nc(N2CCOCC2)c2c1CCCC2 20573672 VGFOPIZMYXTJCA-UHFFFAOYSA-N 399.947 4.614 30 40 GJEB C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1C1CCCCC1 32870824 ARSVLSYGWMCNBV-UHFFFAOYSA-N 388.512 4.772 30 40 GJEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc2ccccc12 100591671 CTUAJXHBZGUPNI-OAQYLSRUSA-N 380.488 4.981 30 40 GJEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/N1CCCCC1)C2=O 118934878 ZFGXLNALPWRPDS-ZWZBRJRZSA-N 383.576 4.859 30 40 GJEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 226336370 HZHTZHONSDGMJC-RMKNXTFCSA-N 391.250 4.771 30 40 GJEB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]12C 245380463 ZNSPUNVBZGKQFL-HOLDGBMTSA-N 386.576 4.897 30 40 GJEB biogenic,in-vitro C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(CCC)C2=O)cc1OCC 409348587 NNODHUZQQDQVJG-PTNGSMBKSA-N 397.949 4.915 30 40 GJEB CC(=O)Nc1cccc(CNc2c(Br)cc(Cl)cc2C#N)c1 618897304 NSLOZPZXPXHTMN-UHFFFAOYSA-N 378.657 4.545 30 40 GJEB CCOc1ccc(Oc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)cc1 6551252 MUKFHJNONMUNFK-UHFFFAOYSA-N 388.423 4.767 30 40 GJEB Cc1ccc(S(=O)(=O)O/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1 8615996 UKUZCBKMKVMPIF-MBDQKHHZSA-N 393.464 4.628 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1C1CC1 24924230 XHYOJFGDAXKANT-CQSZACIVSA-N 384.549 4.758 30 40 GJEB COc1ccc(N2C(=O)C[C@@H](c3ccccc3OCc3ccccc3)[C@H]2C#N)cc1 26896081 WTUUSLZLVMUXCU-XZOQPEGZSA-N 398.462 4.687 30 40 GJEB N#CCc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 44842281 ZBSUQVDKEUNFLY-UHFFFAOYSA-N 381.479 4.958 30 40 GJEB Cc1ccc(S(=O)(=O)OCC23c4ccccc4[C@@H]4C2[C@@H]4c2ccccc23)cc1 101043424 GOVNFFMJUVARED-KFGJODCASA-N 388.488 4.511 30 40 GJEB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 110704090 OXLNWCUIIOLIIS-MOSHPQCFSA-N 390.512 4.906 30 40 GJEB N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 409167276 IBBOKIRNFGLJTJ-CLCXKQKWSA-N 381.819 4.977 30 40 GJEB Cc1ccc(C[C@@H]2S/C(=N\c3nccs3)N(c3ccccc3)C2=O)cc1 2706968 ROEGWSMDRYZGRT-WXVFVKJXSA-N 379.510 4.830 30 40 GJEB O=C(/C=C/Nc1ccc(Br)cc1F)c1cccc(OC(F)F)c1 2791755 JLGYBGCSEIRMAU-VOTSOKGWSA-N 386.167 4.998 30 40 GJEB CC(C)(C#CC(O)(c1ccccc1)c1ccccc1)[N+](C)(C)Cc1ccccc1 4811982 FSPLAVALOOLFEL-UHFFFAOYSA-N 384.543 4.981 30 40 GJEB N#Cc1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)cc1 6602556 SRMWJQLAEVZWDR-UHFFFAOYSA-N 396.410 4.718 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S 7156131 JUODQSODSXTQIC-XNTDXEJSSA-N 384.507 4.944 30 40 GJEB COc1ccc(CCNc2nc(C(C)C)c3c(c2C#N)CCCC3)cc1OC 20588473 ASBJKJRMKCUPQL-UHFFFAOYSA-N 379.504 4.627 30 40 GJEB O=c1oc2ccccc2c(NC2CCCC2)c1N/C(O)=N/CCc1ccccc1 28048933 PNONOBSUQDAABL-UHFFFAOYSA-N 391.471 4.716 30 40 GJEB N#Cc1ccccc1-c1ccc(C[n+]2ccc(C(=O)c3ccccc3)cc2)cc1 96997869 FLRWAKHQXTXYCO-UHFFFAOYSA-N 375.451 4.792 30 40 GJEB N#C[C@H](C(=O)c1ccc(F)c(F)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 103765767 XDPMSRDCDHBYLB-INIZCTEOSA-N 378.378 4.530 30 40 GJEB CCCCOc1ccc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)cc1OC 108167412 BNUJOAZKKLVJTD-CLVLRGGXSA-N 388.514 4.748 30 40 GJEB C=C[C@@H]1C[N@+]2(Cc3ccccc3)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccccc12 245224143 RTHFVUKMXCJYPA-LUZGDSNYSA-N 385.531 4.880 30 40 GJEB N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409166446 FVIBQJMUPQUWPD-WOJGMQOQSA-N 389.798 4.569 30 40 GJEB COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccccc1 409216993 QMNXGLOYRCMORU-HZHRSRAPSA-N 395.480 4.830 30 40 GJEB COc1ccccc1CN(Cc1cccs1)C(=O)/C=C/c1ccc(C#N)cc1 8075757 GRSXTVCFMJIBRL-OUKQBFOZSA-N 388.492 4.871 30 40 GJEB Cc1nc2n(n1)[C@@H](c1cccc3ccccc13)C1=C(C[C@@H](c3ccco3)CC1=O)N2 8560027 OFSLLUNCYUHQFJ-MWTRTKDXSA-N 396.450 4.748 30 40 GJEB CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Br)cc1 18062048 LEMRADVSVTUPBW-SFHVURJKSA-N 394.268 4.607 30 40 GJEB N#C[C@@H](C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1nc2ccccc2s1 40150568 MQFGOGJSEXQBNA-ZDUSSCGKSA-N 378.844 4.830 30 40 GJEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(Cl)cc1Cl)=C2 62001337 RCKDHMPYSRKZJZ-UHFFFAOYSA-N 392.282 4.722 30 40 GJEB biogenic COc1cc(C(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)cc(OC)c1C 105085873 GSVGUOYOISVJPN-XTQSDGFTSA-N 398.528 4.536 30 40 GJEB C#CCn1c2nc(-c3ccccc3)c3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 170622719 GPTVDSAHMNKCBC-GOSISDBHSA-N 393.490 4.612 30 40 GJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1 409044140 NZXFPSQDVFQXRJ-QPJQQBGISA-N 399.222 4.569 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OCCC(C)C)c(OC)c2)SC1=S 1103532 WVHOOWWVGKMXIM-SFQUDFHCSA-N 377.531 4.507 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccccc1)n1nc(SCc3ccccc3)nc1N2 4777005 JJKQWMTXQDNGPM-HXUWFJFHSA-N 388.496 4.592 30 40 GJEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2-c2ccccc2)cc1 4932465 OXUCPELBTUVLEH-LFVJCYFKSA-N 398.426 4.679 30 40 GJEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 20648745 WZHNZYLKAMYZLN-LPYMAVHISA-N 390.483 4.732 30 40 GJEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(Br)cc2)o1 20761732 OAZDAGDRWMGFBW-LPYMAVHISA-N 385.261 4.841 30 40 GJEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2cccc(Cl)c2)C1=O 108029754 AIZOTXGBXLOJSY-XDHOZWIPSA-N 381.859 4.834 30 40 GJEB CC(=O)[C@@]1(CC(=O)O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 263589256 HHUFPQVXBGPMLE-QQEDJGFWSA-N 382.500 4.511 30 40 GJEB COc1ccc(/N=C2/S[C@@H](Cc3ccc(C)cc3)C(=O)N2CC(C)C)cc1 409162460 VLUJTBMDBCEGOZ-UTTYWZDOSA-N 382.529 4.834 30 40 GJEB O=C(c1c2c(nc3ccccc13)CCC2)N1CCCS/C1=N\c1ccccc1 2652563 FNBYVQYJYDDEIM-VHXPQNKSSA-N 387.508 4.990 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NS(=O)(=O)c3ccc(F)cc3)c2C#N)C1 2736823 HEYXUZVGAPQKKC-LBPRGKRZSA-N 392.521 4.711 30 40 GJEB COc1cccc([C@H](C#N)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c1O 4551627 XCNCIUVPFOHMSZ-VXKWHMMOSA-N 383.451 4.817 30 40 GJEB COC(=O)CCCc1ccc(NC2=C(Br)C(=O)CC(C)(C)C2)cc1 5302567 RQGZADRFVAJNKA-UHFFFAOYSA-N 394.309 4.590 30 40 GJEB O=C(O)c1ccc(N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 5487668 HJSYMFSLQFSSPA-DHRITJCHSA-N 387.414 4.973 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(C)cc1 6477849 DEBKSZKIFOBQIB-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB N#Cc1cccc(COc2ccccc2/C=N/NCc2ccccc2Cl)c1 8811759 PTSQBSGESMRVQN-CVKSISIWSA-N 375.859 4.914 30 40 GJEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 19535840 CXGRZRMEPWGAQH-HXUWFJFHSA-N 385.891 4.794 30 40 GJEB Cc1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCCCC3)cc1C 27299672 ZVYSCGKOVQKCNV-UHFFFAOYSA-N 377.483 4.808 30 40 GJEB C(=N/Nc1nc2ccccc2nc1-c1ccccc1)\c1cccc2nccnc12 46085345 ZLUHVMVWDGVJDA-CVKSISIWSA-N 376.423 4.686 30 40 GJEB CN(C)c1ccc(/C=N\c2ccc3c(c2)[C@H](N2CCOCC2)c2ccccc2-3)cc1 104322113 BIDJESMOYAKGJB-CZSIZBGPSA-N 397.522 4.905 30 40 GJEB C=CCOc1c(/C=C2\SC(=S)N(c3ccccc3)C2=O)cccc1OC 408527358 DHKDNYMETRKOCD-LGMDPLHJSA-N 383.494 4.666 30 40 GJEB COc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl 408769642 YCOCEUUSLXGLOB-OQLLNIDSSA-N 379.268 4.894 30 40 GJEB N#Cc1ccc(C[N+]2(Cc3nc(-c4ccc(Cl)cc4)no3)CCCCC2)cc1 2557708 UZZNXPFWOBPMRF-UHFFFAOYSA-N 393.898 4.963 30 40 GJEB N#CCCN(Cc1cccnc1)C(=S)Nc1ccc(SC(F)F)cc1 2641677 TZHBVUFZTJPMQD-UHFFFAOYSA-N 378.473 4.509 30 40 GJEB CCc1ccc2nc(SCC(=O)N3CCCc4ccccc43)c(C#N)cc2c1 4848912 NNSBOTPCZIQGGZ-UHFFFAOYSA-N 387.508 4.740 30 40 GJEB CCN(CC)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(OC)c1 5509503 GRDYJOVDZBHRCT-DEDYPNTBSA-N 395.528 4.741 30 40 GJEB C/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(N2CCOCC2)cc1 14092785 IMGFERQELCYPOM-PCLIKHOPSA-N 394.906 4.869 30 40 GJEB CCCCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N/c1ccccc1 96610606 KKKKIVASUWCYSU-ULYVCNGISA-N 380.469 4.789 30 40 GJEB CCCC/N=C1/S[C@H](C(=O)Nc2ccccc2Cl)CC(=O)N1CCCC 100144488 DGWSCNLLELWBJQ-YGCDDZCOSA-N 395.956 4.569 30 40 GJEB Cc1ccc2c(-c3ccccc3)nc(N/N=C/c3nc4ccccc4[nH]3)nc2c1 101865679 IFAQKADNJXAYFS-ZVHZXABRSA-N 378.439 4.928 30 40 GJEB N#CC1(C#N)[C@@H](c2ccccc2)[C@H]2CS[C@@](c3ccccc3)(S2)C1(C#N)C#N 102038582 PYFHHKADCHYDTN-DXIQSLLYSA-N 398.516 4.553 30 40 GJEB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3C#N)o2)cc1C 107832632 LWNFXKUMYAKCJS-UHFFFAOYSA-N 375.453 4.562 30 40 GJEB Cc1c(/C=N/c2ccc(F)c(Cl)c2)c(=O)n2c([nH]c3ccccc32)c1C#N 1505840522 KSLNDHLUQZMWQK-YSURURNPSA-N 378.794 4.504 30 40 GJEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)c(OC)c1 1078361 QLFDMIUARHUFIZ-JOCHJYFZSA-N 386.451 4.817 30 40 GJEB COc1ccc([C@H](/C=N/OCc2cccc(C(F)(F)F)c2)C(C)=O)cc1OC 4002259 FOZAKHHZHTWEJX-SCWWFSKWSA-N 395.377 4.598 30 40 GJEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OC(F)F 7743789 DCYPNNQKWUZZNN-DUXPYHPUSA-N 382.746 4.575 30 40 GJEB Cc1oc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)c(C#N)c1C 8811621 INXYWLVCQIBXAQ-BRJLIKDPSA-N 380.879 4.953 30 40 GJEB CC(=O)Nc1sc(N/N=C/c2cccc(O)c2)nc1-c1ccc(Cl)cc1 16734720 QXLWHZCOXFQPFQ-KEBDBYFISA-N 386.864 4.574 30 40 GJEB N#Cc1cccc(C(=O)N2CCC(Oc3nc4c(Cl)cccc4s3)CC2)c1 49432615 BVZCEZPCDKEWEZ-UHFFFAOYSA-N 397.887 4.505 30 40 GJEB Cc1cc(Br)c2oc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2c1 96013398 HXUIOZPQCIBSQO-LBPRGKRZSA-N 394.228 4.870 30 40 GJEB O=c1oc2ccccc2c(O)c1[C@H](C/C(=N/O)c1ccccc1)c1ccccc1 104168440 JVLKJJUUXZSGTK-XZSXMJNUSA-N 385.419 4.899 30 40 GJEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccccc2Cl)S1 408867191 JIRZHXNJKPOJER-NVNXTCNLSA-N 379.268 4.894 30 40 GJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2c1 1354339 WDCLMAQRPZNPEM-INIZCTEOSA-N 387.508 4.793 30 40 GJEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(Cl)c(Cl)c1)CCCC3 1922602 IKGULIHXUPADCU-ZVBGSRNCSA-N 392.311 4.834 30 40 GJEB C=CCN/C(S)=N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1969333 IHLOPCKMZJHWRG-SSDVNMTOSA-N 394.327 4.968 30 40 GJEB C[C@@H](Oc1ccc2ccccc2c1Br)C(=O)Nc1cccc(C#N)c1 5347005 OTGHGIJKVURAIC-CYBMUJFWSA-N 395.256 4.880 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(C)cc1 5499545 BPPAWWGKSUQMGQ-UHFFFAOYSA-N 392.528 4.733 30 40 GJEB CC/N=C1\S/C(=C\c2cccc(OCc3ccc(C)cc3)c2)C(=O)N1CC 5552125 UDHXFKVLWOOKMN-DJOYVXLESA-N 380.513 4.886 30 40 GJEB CCOC(=O)c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1 8811446 RFMGGXWAHNLNBS-ZVHZXABRSA-N 382.847 4.900 30 40 GJEB O=C(COc1ccc2ccccc2c1)Nc1cccc(C#Cc2ccccn2)c1 12527820 FCLCFXTYCNVSKC-UHFFFAOYSA-N 378.431 4.652 30 40 GJEB C=CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3C)c2)SC1=S 13897301 KEBKPWHXCAJBEG-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB COc1cc(/C=C/C(=O)c2ccc(OCC#N)cc2)ccc1OCCC(C)C 15352543 ACACBDWRXCAZIE-ONNFQVAWSA-N 379.456 4.919 30 40 GJEB COc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1Cl 18265349 HUJXUQDATVPTIT-OVCLIPMQSA-N 379.268 4.894 30 40 GJEB CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 34791520 IWFGLNSIDBRPNL-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB N#Cc1cccnc1Oc1ccccc1NCc1cc(Cl)cc2c1OCOC2 84506993 AOYVOMMYICECGN-UHFFFAOYSA-N 393.830 4.878 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 102573709 ARSVNSFGDMALSN-LFVOPCPISA-N 383.875 4.870 30 40 GJEB C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1OCC 408553518 AKJJAQCGNWMQDF-UHFFFAOYSA-N 390.277 4.973 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1c(C)cccc1C 408905430 AELYUCUHTVYXMY-FFXWWKDOSA-N 396.512 4.945 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Br)s1 409105620 NLLJWSRKZYGNFI-UBKPWBPPSA-N 394.172 4.884 30 40 GJEB COc1cc(/C=N/c2ccc(Br)c(Cl)c2)c([N+](=O)[O-])cc1OC 670290 FNHHTEBWUWSCLC-QGMBQPNBSA-N 399.628 4.779 30 40 GJEB CCCCCOc1ccc(/C=C/C(=O)c2c(O)c3ccccc3oc2=O)cc1 4715985 SCTDDJCKDIVSMC-SDNWHVSQSA-N 378.424 4.964 30 40 GJEB CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 6820245 RAVZCITZOTWJBK-CRAIPNDOSA-N 395.886 4.743 30 40 GJEB COc1ccc(CN(C(=O)c2cccc(C#N)c2)[C@H](C)Cc2cccs2)cc1 14903587 NEUIFCXCSOMZDY-QGZVFWFLSA-N 390.508 4.902 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C(/Br)c1ccccc1 33376883 SFHCORPHXGIFOO-DEDYPNTBSA-N 388.143 4.782 30 40 GJEB O=C(Nc1cccnc1)/C(=N/Nc1ccc2ccccc2c1)C(=O)c1ccccc1 100433321 GVQVVYAOXJSUGJ-XAYXJRQQSA-N 394.434 4.524 30 40 GJEB C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC 408773949 KGRMXHCTKQVMLZ-FQWPPLDYSA-N 394.540 4.976 30 40 GJEB COc1ccc(OC)c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c1 408848220 RESDNTBOOLOFKL-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(F)cc3)S2)cc1 408961458 MLMIHGQMJFMXEA-CPNJWEJPSA-N 377.444 4.816 30 40 GJEB N#Cc1cc2c(nc1SCC(=O)c1ccc(Br)cc1)CCCC2 1054595 PUCMZWUMJJMCOD-UHFFFAOYSA-N 387.302 4.570 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 5130194 JJTUNGAQQYCFGO-QFIPXVFZSA-N 390.458 4.741 30 40 GJEB N#Cc1cccc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)c1 5475919 AKSOJNPXVXMUPT-UHFFFAOYSA-N 385.448 4.852 30 40 GJEB CCOc1cc(C#N)cc(Br)c1OCc1nc2ccccc2s1 8986917 RORSGAPYVRLNDZ-UHFFFAOYSA-N 389.274 4.908 30 40 GJEB C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 12111545 DXHSFMVTJIRKJT-QFIPXVFZSA-N 398.934 4.862 30 40 GJEB CCOc1c(/C=C2\S/C(=N\c3ccccc3)N(CC)C2=O)cccc1OC 12630529 USXLJBMISDEVEQ-DGPABIPKSA-N 382.485 4.718 30 40 GJEB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nc(C)cc(C)c1C#N 12659674 PSVUHKQLDXKTIT-UHFFFAOYSA-N 383.517 4.607 30 40 GJEB C=CCOc1ccc(/C=C/C(=O)NCCCCOc2ccc(Cl)cc2)cc1 14678812 JCMIWXXYVNTNRW-VGOFMYFVSA-N 385.891 4.893 30 40 GJEB CCSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608451 OFHHMGGTIHEQBK-YJYMSZOUSA-N 382.533 4.782 30 40 GJEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935633 WSQHRDKBZHNHHA-NHXPLCAWSA-N 386.532 4.799 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1cc(C)ccc1C 408906697 JRPIPZWFQQHUMP-DYEBMTOPSA-N 396.512 4.945 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CC 408912952 MHGLMLABYCYJPL-BIXZQSIESA-N 381.457 4.781 30 40 GJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1 802268 IMNPUSLEMBYLJN-SSDVNMTOSA-N 377.331 4.998 30 40 GJEB O=[N+]([O-])c1ccccc1/C=C/C=N/NC(=S)Nc1ccc(Cl)cc1Cl 3239822 CPUDUVMCZGJRNN-WSJMPXRGSA-N 395.271 4.887 30 40 GJEB COc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)c(Cl)cc1O 15015813 DXHBGXQIPMOJJW-UUASQNMZSA-N 395.267 4.599 30 40 GJEB COc1ccc(C(C)=O)cc1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 15356452 JNXHGQLKAUSORH-UHFFFAOYSA-N 385.419 4.585 30 40 GJEB Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 20718691 AYULTZNXYWISKY-DJJJIMSYSA-N 378.453 4.708 30 40 GJEB Cc1ccc(S(=O)(=O)/N=C(/Nc2c(C)cc(O)cc2C)c2ccccc2)cc1 26787075 ATFWSNLIXRYBHL-UHFFFAOYSA-N 394.496 4.565 30 40 GJEB C#CCn1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409108113 VAPYDDPTTMSXSM-FOKLQQMPSA-N 386.333 4.648 30 40 GJEB O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CNc1cc(Cl)ccc1O 2769258 FNFPJRDXZPQUTH-UHFFFAOYSA-N 376.239 4.711 30 40 GJEB CCCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O 4903261 GICNSIHFHINLAU-RDSDJNLHSA-N 383.492 4.850 30 40 GJEB Cc1cc(C)cc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 7794834 RDKXCDRKOJAUAF-UHFFFAOYSA-N 380.498 4.571 30 40 GJEB CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N 8214597 QMMMGQKKOKYDMN-UHFFFAOYSA-N 376.549 4.597 30 40 GJEB in-man CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccccc2[N+](=O)[O-])cc1 12463825 NAGRYZAUKULADF-NDENLUEZSA-N 381.461 4.696 30 40 GJEB C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260587940 CJJMXTMLJNGOSY-OALUTQOASA-N 378.516 4.979 30 40 GJEB Cc1cc(Br)ccc1/N=C\c1ccc(OCC(=O)OC(C)C)cc1 409186916 JLUNRFUOSYRNOV-NHDPSOOVSA-N 390.277 4.839 30 40 GJEB Cc1ccc(S(=O)(=O)OCC[C@](O)(c2ccccc2)C2CCCCC2)cc1 2166691 IUSABRDBRWPFEW-QFIPXVFZSA-N 388.529 4.559 30 40 GJEB CCN(CC)C(=O)c1sc(NC(=O)CCC2CCCCC2)c(C#N)c1C 5470632 TYULQZSLGRXFFZ-UHFFFAOYSA-N 375.538 4.709 30 40 GJEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 5551166 CJBIPTOUIQTPHD-WJDWOHSUSA-N 387.302 4.903 30 40 GJEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Cl)cc1 9331949 AIWYHPFASDKEOY-QVKFZJNVSA-N 390.874 4.656 30 40 GJEB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 17213444 ZTGCXJWWCMAREW-AUWJEWJLSA-N 398.422 4.979 30 40 GJEB C=CCSc1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 21974452 KFWOMQCKDHXWCJ-UHFFFAOYSA-N 375.877 4.571 30 40 GJEB C=CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OCC)c1 59516196 DFPMTCAAOQRRTQ-PGMHBOJBSA-N 389.451 4.519 30 40 GJEB N#CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 127065959 MMOGVEVKVXMTMS-LFIBNONCSA-N 386.885 4.648 30 40 GJEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1Cc1ccc(F)cc1 223679078 VVMPDGFZWBELFT-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1 225696413 AMHZAGBXUPOBMC-QGZVFWFLSA-N 381.545 4.899 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3)S2)cc1 408963493 ZSPDGDAKDREDMA-XSFVSMFZSA-N 389.480 4.686 30 40 GJEB C#CCOc1ccc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1Br 409111271 BDFTWVCVMTVNPN-LGMDPLHJSA-N 396.284 4.758 30 40 GJEB Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c(C#N)c(C)c1C 705908 DKJNGTOPGSMJGL-UHFFFAOYSA-N 379.407 4.628 30 40 GJEB Cc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)c(O)c([N+](=O)[O-])c1 1312729 AMRPDGKLEHEJGY-FOKLQQMPSA-N 393.365 4.978 30 40 GJEB CC(C)(C)/C(CSc1cccc[n+]1[O-])=N\OC(=O)Nc1ccc(Cl)cc1 4277510 JOYRDPUSZRLNEQ-QNGOZBTKSA-N 393.896 4.716 30 40 GJEB O=C(/C=C/c1cc(Br)cc2c1OCOC2)c1cc(Cl)ccc1O 4338140 IXMPFFGCRJCOJQ-HNQUOIGGSA-N 395.636 4.571 30 40 GJEB COc1cccc(/C=C2\Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c1 9419802 FAAKUASMNNJBDN-BKUYFWCQSA-N 378.424 4.797 30 40 GJEB C=CCn1c(C)cc(-c2csc(NC(=O)c3n[nH]c4ccccc34)n2)c1C 9654539 HTTRKLCQUOLJKW-UHFFFAOYSA-N 377.473 4.543 30 40 GJEB CCc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2cccs2)cc1 10447605 NTZANOKXKKNFPR-ZHRRBRCNSA-N 390.508 4.855 30 40 GJEB COc1ccccc1N(CCC#N)C(=O)CSc1cc(C)c2ccccc2n1 12532383 KWSRHRIXJZKSFI-UHFFFAOYSA-N 391.496 4.591 30 40 GJEB N/C(=N\c1ccc2c(c1)OCCO2)SC(c1ccccc1)c1ccccc1 19671944 NOWPGEQGMJDCCL-UHFFFAOYSA-N 376.481 4.927 30 40 GJEB CCn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)c2ccccc21 28182847 VAJAEOOFQGHUQN-XKZIYDEJSA-N 388.467 4.579 30 40 GJEB Cc1ccc(/N=C\c2cc(Br)c(Br)o2)cc1[N+](=O)[O-] 408955354 WYMIUFJPSROABM-UUASQNMZSA-N 388.015 4.772 30 40 GJEB C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409051315 KRJQAEFCDAJEMN-UNOMPAQXSA-N 397.883 4.897 30 40 GJEB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1C 409106256 MYCRQXJLSOQORX-SSDVNMTOSA-N 383.839 4.805 30 40 GJEB Fc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 1093108 ZIWDTTMQTZMAFR-YZSQISJMSA-N 390.458 4.992 30 40 GJEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)c1OC 4664373 NUWBPGZGELCIHP-WBCKRXDOSA-N 382.485 4.554 30 40 GJEB N#CCSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 5890106 LWEHXRORFADGPQ-UHFFFAOYSA-N 378.335 4.568 30 40 GJEB CCOc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 12464575 BPDMYVTUWGEGHQ-DIBXZPPDSA-N 397.522 4.807 30 40 GJEB C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 22881722 HZOJDAFUWNUVBW-UHFFFAOYSA-N 376.481 4.829 30 40 GJEB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 28853013 YIJILXZIIZSINT-ZDUSSCGKSA-N 381.501 4.530 30 40 GJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)cc1 36354282 FYQIDNLZJOWALV-MRXNPFEDSA-N 382.345 4.886 30 40 GJEB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935634 WSQHRDKBZHNHHA-RNEGTRTBSA-N 386.532 4.799 30 40 GJEB C=CCOc1ccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)cc1 225532091 USNDZMQICOIANT-UHFFFAOYSA-N 386.517 4.534 30 40 GJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1Br 408708509 JEXFHDMQWPDNMC-UHFFFAOYSA-N 383.330 4.563 30 40 GJEB C/C(=N\N=C1\N=C(O)[C@H](CC(=O)Nc2cccc(Cl)c2)S1)C(C)(C)C 4577200 PEJIMVOJRZGANA-IMRMQAIZSA-N 380.901 4.519 30 40 GJEB CC1(C)C[C@H]2C[C@@](C)(CN2/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C1 103442489 KGJHNAQRDPZUOV-FDOVGEGWSA-N 396.556 4.723 30 40 GJEB FC(F)(F)C(F)(F)C(F)(F)C(C[C@H]1CO1)(C(F)(F)F)C(F)(F)F 103540169 OARRIBKBFYYUPS-VKHMYHEASA-N 376.112 4.719 30 40 GJEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1Cl 107630725 QBXVHEJPDONIPD-NHDPSOOVSA-N 381.259 4.771 30 40 GJEB N#Cc1c(-c2ccc(Cl)cc2)cn2c1[nH]c(=O)c1c3c(sc12)CCCC3 1609256 HKTSKSUVLMDNOZ-UHFFFAOYSA-N 379.872 4.913 30 40 GJEB C=CCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033376 ZBSIXROJPZDMRO-AWEZNQCLSA-N 396.288 4.505 30 40 GJEB Fc1c(F)c(F)c(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)c(F)c1F 4713172 JMFMEDYKAKQMID-HCBMXOAHSA-N 398.722 4.939 30 40 GJEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 5551320 BFSSGZVOSGWQQC-YVLHZVERSA-N 388.851 4.936 30 40 GJEB N#Cc1ccccc1-c1ccc(COC(=O)c2cncc(Br)c2)cc1 22414898 SXBBEJRJSSEECN-UHFFFAOYSA-N 393.240 4.740 30 40 GJEB Cc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)c(C)n1-c1ccccc1 136548371 FQTULIKWFAPTHX-IZDDVYCDSA-N 379.510 4.969 30 40 GJEB Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(-c2ccccc2C(F)(F)F)o1 409217112 RTVSBPWJXQWMDN-ROTLSHHCSA-N 397.356 4.866 30 40 GJEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1C(=O)O 4134303 NQLIEPMKKORARM-UHFFFAOYSA-N 394.467 4.785 30 40 GJEB N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccccc1 7005666 GCNLUJKSBRJVJH-UHFFFAOYSA-N 383.476 4.609 30 40 GJEB COC(=O)c1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 12467090 XRTQDRZTEPTRGJ-XKZIYDEJSA-N 394.500 4.574 30 40 GJEB O=C(Nc1ccccn1)/C(=C\C(=O)c1ccc(Cl)cc1)Nc1ccccc1 16958386 XQCRSOLOBJGKML-NBVRZTHBSA-N 377.831 4.552 30 40 GJEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(C)=O)c2)C1=O 35039155 CKBKQDHZWBJPAA-CPNJWEJPSA-N 395.505 4.860 30 40 GJEB CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 104088414 XWHMMBGUCJKJQK-UHFFFAOYSA-N 396.553 4.770 30 40 GJEB COc1cccc(-c2cc(C(F)F)nc(N/N=C/c3ccc(F)s3)n2)c1 252480672 CCEXRGYDQYDXEP-ZVBGSRNCSA-N 378.379 4.736 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)c1 408591860 KVURVICKTTZTQZ-RGVLZGJSSA-N 394.412 4.766 30 40 GJEB COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(C)n2)cc1 409116973 KDYVRVXWZGRORS-MTJSOVHGSA-N 394.456 4.912 30 40 GJEB CCCc1nc2ccc(Br)cc2c(=O)n1N=C/C=C/c1ccccc1 409327442 UBHBNFVRGQFHNX-DGXSBDJDSA-N 396.288 4.659 30 40 GJEB COc1ccc2c(c1)N(C)/C(=C1/S/C(=N/c3ccc(C)cc3)N(C)C1=O)S2 3021522 JWAKQECJNZELBM-OWIKPASBSA-N 397.525 4.608 30 40 GJEB N#Cc1c2c(c(NCCN3CCCCCC3)n3c1nc1ccccc13)CCCC2 4170087 ZSYDWTKQPZSCHX-UHFFFAOYSA-N 387.531 4.526 30 40 GJEB C=CCN(CC=C)Cc1c(O)ccc2oc(C)c(C(=O)NCc3ccccc3)c12 5182774 IIPSENSUYJOBKO-UHFFFAOYSA-N 390.483 4.551 30 40 GJEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1 5215963 CFYBCRRPBMUSBK-MDZDMXLPSA-N 390.874 4.697 30 40 GJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 6378329 UVAGUDAADROPTG-INIZCTEOSA-N 394.780 4.870 30 40 GJEB CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccn2)cc1 9763885 QQSXAEHFWZWEJY-HXUWFJFHSA-N 388.423 4.581 30 40 GJEB N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3)s2)c(C(F)(F)F)c1 40110788 PNKPKWHFBVUDMY-UHFFFAOYSA-N 387.386 4.877 30 40 GJEB CCCCCCCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 68564937 OYRLHFXYDJNTMQ-UHFFFAOYSA-N 380.535 4.860 30 40 GJEB biogenic CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 118919136 ZNSPUNVBZGKQFL-OLFAGEBISA-N 386.576 4.897 30 40 GJEB C=C(C)COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 219792791 XZACPIZOERGUKA-FQEVSTJZSA-N 381.472 4.682 30 40 GJEB Cc1cccc(/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 408857252 NUOYNYPSLYHGIW-FMCGGJTJSA-N 376.412 4.550 30 40 GJEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 408960609 HEWQDJURUKEWQM-NJPLLEPOSA-N 383.425 4.564 30 40 GJEB O=C1N/C(=N\c2cccc(C(=O)O)c2)S/C1=C\c1ccc(Cl)cc1Cl 2772820 GSDWAJJYBAOTSZ-AUWJEWJLSA-N 393.251 4.583 30 40 GJEB CCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 3079497 LPYGGYGRFWFXIK-UHFFFAOYSA-N 382.460 4.936 30 40 GJEB N#Cc1ccc(-c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)cc1 3301473 AHMKXQCNXDOGKU-UHFFFAOYSA-N 376.843 4.574 30 40 GJEB CCc1cc(SCC(=O)N(C(C)C)C(C)C)n2c(nc3ccccc32)c1C#N 3568388 RBHPCDUKPDOTLA-UHFFFAOYSA-N 394.544 4.659 30 40 GJEB CCCC(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 4348818 HZAJOMXXPJDWCV-CQSZACIVSA-N 394.755 4.523 30 40 GJEB COc1cccc(C(=O)CSc2nc(C3CC3)cc(C(F)(F)F)c2C#N)c1 4450378 FYASTLIRKXMTRB-UHFFFAOYSA-N 392.402 4.833 30 40 GJEB CCN(CC)CCn1c(/N=C/c2ccc(Br)cc2)nc2ccccc21 4738211 GCVNYYKIDQRUJM-PXLXIMEGSA-N 399.336 4.891 30 40 GJEB COc1ccc(/C=C2\Oc3cc(OCc4ccc(OC)cc4)ccc3C2=O)cc1 5959417 NGLMLVSNTXSPES-QRVIBDJDSA-N 388.419 4.899 30 40 GJEB biogenic Cc1ccc(C(=O)/C=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 6048640 XYSKBEZTAFRYQZ-WEVVVXLNSA-N 377.425 4.741 30 40 GJEB CCCOc1c(Br)cc(/C=C/C(=O)c2ccc(O)cc2)cc1OC 6431024 OVQFAVKQFIAKRR-RUDMXATFSA-N 391.261 4.848 30 40 GJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)c1 8410892 CODGKMWEKRGIQP-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB CCOc1ccc(/N=C/c2nc(C#N)c(Nc3ccc(OCC)cc3)o2)cc1 27026311 BTSSRCUVJWNFBR-OEAKJJBVSA-N 376.416 4.838 30 40 GJEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 51366905 DAWCLQKZZAROHS-MJHJUBQXSA-N 379.529 4.938 30 40 GJEB COc1cc2c(cc1OC)C(=O)/C(=C\c1cccc(OCc3ccccn3)c1)C2 95479705 DSVNVIUJCKBMQV-ZDLGFXPLSA-N 387.435 4.500 30 40 GJEB N#Cc1ccc(/C=C\C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 96920716 WIKYJJBZJVVFCP-GIWCCYDRSA-N 376.506 4.869 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@](C)(CC)OC3 2318417 LIWURRRUKBIOHM-NRFANRHFSA-N 398.553 4.967 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 9110140 KWANFNOMKJTXFW-HXUWFJFHSA-N 391.373 4.748 30 40 GJEB COc1cc2c(cc1OC)[C@@H](c1ccc(SC)cc1)C1=C(CCCC1=O)N2 18197213 XHLMMQFRASCCBR-OAQYLSRUSA-N 381.497 4.990 30 40 GJEB C=CC/N=c1/scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccc(C)o1 103371438 UDOPGDMBFOCMKR-AXVKYWCBSA-N 389.427 4.688 30 40 GJEB C[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc23)C1=O 2328743 JTIXOKHHQDAOMG-PYUKZKILSA-N 379.510 4.755 30 40 GJEB CCCCCCCCSC(=O)Oc1cc2nnnn2nc1-c1ccccc1 3767015 IIUAYXSLGGBXSK-UHFFFAOYSA-N 385.493 4.779 30 40 GJEB COc1ccc(-c2cs/c(=N\N=C3\C[C@H]4CC[C@]3(C)C4(C)C)[nH]2)cc1OC 5304443 ZRHNAWSYXPVSQK-BLZAOJNMSA-N 385.533 4.863 30 40 GJEB Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)o3)S2)c1C 5376718 LUWRJCISIMEPSU-MDWZMJQESA-N 377.263 4.551 30 40 GJEB COc1ccc(/N=C/c2c(C)c(C#N)c3nc4ccccc4n3c2O)cc1Cl 5445823 WIAIYFUPBVHETL-BHGWPJFGSA-N 390.830 4.786 30 40 GJEB C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2ccsc2c1=O 8877605 DNNKKDUSPRUTEW-GFCCVEGCSA-N 396.497 4.547 30 40 GJEB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 12760744 GOTVTYMTPBKLCO-NRFANRHFSA-N 397.906 4.776 30 40 GJEB C=CCc1ccccc1OC[C@@H](O)Cn1c(Cc2ccccc2)nc2ccccc21 15671401 BIARCPXOPSHECZ-QFIPXVFZSA-N 398.506 4.796 30 40 GJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1cccc([N+](=O)[O-])c1 35647762 GQBOFRDEVKVXDL-LDADJPATSA-N 375.409 4.640 30 40 GJEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647792 KAPVOMLQEAVAKZ-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1 225775264 NHUVXWGNRSTHKI-INIZCTEOSA-N 396.462 4.562 30 40 GJEB C=CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2296622 NOWKZWJYPSHCTG-UHFFFAOYSA-N 382.533 4.887 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2sc(C)c(C)c2c1=O 4552556 PHCQDSYCRIGPCG-UHFFFAOYSA-N 384.526 4.544 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1 5551412 XYCDQRUXKDSEIK-AQTBWJFISA-N 381.457 4.829 30 40 GJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/N(Cc2ccccc2)c2ccccc2)c1O 38176234 PCUWOJARLCPBQY-LPYMAVHISA-N 381.819 4.995 30 40 GJEB O=C(/C=C/c1cc(Br)ccc1O)c1ccc(Br)s1 51330003 WBSBOXYMPDKFHZ-HNQUOIGGSA-N 388.080 4.875 30 40 GJEB CCO/C=N\c1c(C#N)c(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1 100350663 XTHVXLGODDEOGT-IWIPYMOSSA-N 375.428 4.729 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 102875154 YOWJTLIKVKVCEU-MOBKVPTQSA-N 383.447 4.930 30 40 GJEB C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224969436 SPBORIPBBJPHTH-UHFFFAOYSA-N 395.908 4.517 30 40 GJEB C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(CC2CC2)CC1 257230348 GBWWRPCTMSNLGW-UHFFFAOYSA-N 394.584 4.752 30 40 GJEB CC[C@@H](C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N)c1ccccc1 2738534 FDBUQFZPSQZTDN-MRXNPFEDSA-N 383.517 4.543 30 40 GJEB O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc(Br)ccc1O 4070529 UVUCIPVRAXSAJP-HNQUOIGGSA-N 395.636 4.571 30 40 GJEB N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cc1 4273250 CNQJQUIGWRLHSQ-UHFFFAOYSA-N 388.427 4.549 30 40 GJEB CCOC(=O)C1=C(Nc2ccc(Cl)cc2)S/C(=C\c2ccc(C)o2)C1=O 4696118 TWVFOUWIOUDCFW-GDNBJRDFSA-N 389.860 4.785 30 40 GJEB CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc1 4987351 YMJNNKFTPDGAIT-WBVHZDCISA-N 381.497 4.540 30 40 GJEB O=[N+]([O-])c1cc(/C=N/n2cc(-c3ccccc3)[nH]c2=S)ccc1N1CCCC1 5658195 CXXNFNCOEPHHDH-FYJGNVAPSA-N 393.472 4.603 30 40 GJEB Cc1nc(OCc2ccc(Cl)cc2Cl)c(C#N)c2c1COC(C)(C)C2 13728757 MKCYQFGGVOTDMQ-UHFFFAOYSA-N 377.271 4.999 30 40 GJEB Cc1ccsc1/C=C1\Oc2cc(OCC(=O)c3ccccc3)ccc2C1=O 13786506 GYVNTTBOBVPMDM-NDENLUEZSA-N 376.433 4.934 30 40 GJEB CCN(C(=O)c1c(C)oc(-n2cccc2)c1C#N)c1nc2ccccc2s1 14633717 SZAHTFBXQQKIPM-UHFFFAOYSA-N 376.441 4.527 30 40 GJEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)s1 107552641 QNWICWYKFJSWOY-OFDIPOHZSA-N 387.530 4.553 30 40 GJEB C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 224938180 VELFTIAVQWUYLD-UHFFFAOYSA-N 378.227 4.653 30 40 GJEB COc1ccc(C2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)cc1OC 225853106 HZNVMCMYPFBMLN-UHFFFAOYSA-N 395.528 4.526 30 40 GJEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 226694726 DKROTHIIHUFWJN-VYHJWNJSSA-N 380.447 4.524 30 40 GJEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](O)(C#Cc4ccccc4)[C@H]3CC[C@@H]12 253617408 LCZMXUQOODFQOP-IQRTVPKASA-N 378.556 4.783 30 40 GJEB CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 408896977 LYYKTYJBYVMZQH-UHFFFAOYSA-N 382.456 4.612 30 40 GJEB CCOc1ccc(/C=N/c2ccc(F)c(C)c2)cc1I 408904018 CJPBBYQPAHRLRW-VXLYETTFSA-N 383.204 4.888 30 40 GJEB CCCCCCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1OC 1538759 UELVIWQAIAUIQR-GHRIWEEISA-N 379.547 4.923 30 40 GJEB C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1C1CCCCC1 2647547 JKTKSJJOFYMQCA-UHFFFAOYSA-N 381.505 4.854 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 4737350 VLSARDWFLGPYPU-VXLYETTFSA-N 386.751 4.862 30 40 GJEB Cn1cc([C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 4811529 JORDTLDEPAVWPU-XZOQPEGZSA-N 384.435 4.838 30 40 GJEB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C#N)cc3)s2)c(C)c1 5889831 HSQLCDGTDYMWRO-UHFFFAOYSA-N 395.513 4.501 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1F 13564366 RXTOYZWXQSFLSG-RBZQAINGSA-N 395.474 4.533 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)C1=O 17077036 BCCCZZPVWYISIP-CUDADEKJSA-N 376.500 4.553 30 40 GJEB CCCCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccccc1 100550856 ZXMNHEQMEIEJGC-FGZHOGPDSA-N 391.552 4.991 30 40 GJEB Cc1ccc2cc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(Cl)nc2c1 1197828 ZLNSUFKWLVWWRK-ZMOGYAJESA-N 390.874 4.745 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1cccs1 3217679 AACVTWHNFVGIBF-UHFFFAOYSA-N 379.462 4.811 30 40 GJEB O=C(O)c1cc(N/N=C/C(Br)=C/c2ccccc2)ccc1Cl 3275758 XDJQMQQBCGMESE-BSHSOUCVSA-N 379.641 4.872 30 40 GJEB Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 8559205 DFEQCQJUIIRKLP-IIBYNOLFSA-N 390.874 4.656 30 40 GJEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]21 13739086 NIQUINPNXZDKJD-BHDDXSALSA-N 399.881 4.720 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O 208469469 DUQCCQJZEZSLRN-MFOYZWKCSA-N 386.904 4.641 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)nc2ccccc21 408692534 OPJSAOMTPYDWSL-OEAKJJBVSA-N 388.427 4.549 30 40 GJEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408818904 RBFTTWPVCRVNKT-RMORIDSASA-N 396.830 4.925 30 40 GJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c1 408967555 QVPZILHLUBMFRR-ZVHZXABRSA-N 390.439 4.720 30 40 GJEB C=CCn1c(SCC(=O)c2ccccc2Cl)nnc1-c1ccccc1OC 6076690 ZKSUZYWBDPJHHY-UHFFFAOYSA-N 399.903 4.768 30 40 GJEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 7018294 SLKIZWVIJVEESR-MEBBXXQBSA-N 378.847 4.894 30 40 GJEB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 7059108 RQLZBALDKDJLRD-LBPRGKRZSA-N 396.541 4.884 30 40 GJEB CCOc1ccc(C(=O)[C@@H](C)[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 13787631 LYTVVHMDXXLODL-MRXNPFEDSA-N 395.910 4.885 30 40 GJEB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccc(C#N)c1 32900322 XRUOUSQDZMQSCC-KRWDZBQOSA-N 383.451 4.644 30 40 GJEB CN(CCC#N)c1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1 33726784 ZHHRGENKHURHNG-CIAFOILYSA-N 389.499 4.549 30 40 GJEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1Cc1cccc(F)c1 223677153 UKRKYWYIOYWJQE-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB CCOC(=O)c1sc(=S)n(C)c1/N=C(\O)c1ccc(C(C)(C)C)cc1 2335794 OWEYCOKXAHWNFI-UHFFFAOYSA-N 378.519 4.927 30 40 GJEB N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)cc1 3291481 UTHOYFSINROTGH-UHFFFAOYSA-N 387.443 4.632 30 40 GJEB Cc1ccc(Cn2nc(C)c(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)cc1 5119805 YNOLRZSGFABJIP-OPEKNORGSA-N 387.409 4.716 30 40 GJEB O=C1C(Cl)=C(Cl)C(=NC(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl 5944665 PJINUBIJFPTULN-UHFFFAOYSA-N 383.445 4.882 30 40 GJEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1 6053248 NBUWDJMTKZMXBE-HXUWFJFHSA-N 376.387 4.597 30 40 GJEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1c(Cl)cccc1Cl 6756446 ZUNNUIXHYIKUIT-UHFFFAOYSA-N 388.254 4.872 30 40 GJEB CN(CC(=O)Nc1sccc1C#N)Cc1ccc(-c2ccc(Cl)cc2)o1 8073105 BIQJJUYYEHQWME-UHFFFAOYSA-N 385.876 4.604 30 40 GJEB CC(C)c1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608148 UWFUJNLSBYFVBU-DIFFPNOSSA-N 390.409 4.688 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253508322 FCJZEZIAZQLHTC-DHMMNPFQSA-N 394.559 4.789 30 40 GJEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(F)c(Cl)c1 408750972 USUCRUQVWZFZHV-AFPJDJCSSA-N 387.802 4.636 30 40 GJEB CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)o1 408847362 UKTFKFXYTIOJKV-QRVIBDJDSA-N 397.500 4.560 30 40 GJEB Cc1ccccc1/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408855155 DYJHBXTZSPQAKC-FMCGGJTJSA-N 376.412 4.550 30 40 GJEB C=CCOc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408946212 YNXWMSDCFPTKHK-BKUYFWCQSA-N 392.371 4.667 30 40 GJEB COc1cc(/C=N\c2ccccc2F)ccc1OCc1ccc(C(=O)O)cc1 408968385 YIDDDKCOGQFJRD-CFRMEGHHSA-N 379.387 4.862 30 40 GJEB COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2cc(C)cc(C)c2nc1Cl 883103 QNTQESLWGYEFQO-KRWDZBQOSA-N 393.874 4.835 30 40 GJEB COc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c(OC)c1 6145639 YEQFWWYVZQYINR-OEAKJJBVSA-N 392.411 4.659 30 40 GJEB C=CCNCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 8470391 CWAGSYGIJGXJHB-UHFFFAOYSA-N 396.712 4.966 30 40 GJEB CCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1OC 12629728 CSHATZZUPMYTHO-KIOXBDSISA-N 382.485 4.718 30 40 GJEB COc1cccc([C@@H](C#N)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1O 13940012 XCNCIUVPFOHMSZ-FGZHOGPDSA-N 383.451 4.817 30 40 GJEB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc([N+](=O)[O-])c1 35647758 LEDXODFHMXUCFJ-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)/C(=C/c3cnn(C)c3C)C[C@H]12 36005110 FNMQPGMXOHYDGL-MBNUYKHQSA-N 390.527 4.856 30 40 GJEB CC/N=C1\S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N1CC 109596536 LZNZKTPZFLSWGG-QNQNADBQSA-N 380.513 4.886 30 40 GJEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1O 408907283 ALHJCMFNWFCCCE-FOLIBTTPSA-N 382.485 4.722 30 40 GJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc([N+](=O)[O-])c3)c2C)c1 408966254 KWVHLLJABZBWMQ-UCQKPKSFSA-N 391.427 4.930 30 40 GJEB CC(C)(C)N1CC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 596734115 XMOKXJGTPUNCSZ-GOSISDBHSA-N 392.503 4.592 30 40 GJEB COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)c1 717354 QZXDBPZAHOWTSE-QHCPKHFHSA-N 386.451 4.817 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C#N)C1 994009 ZNWDKBLMGZYAAJ-SNVBAGLBSA-N 375.291 4.759 30 40 GJEB COc1ccccc1N1C(=O)CC[C@]1(C#N)c1ccccc1OCc1ccccc1 2367010 IGTHGVGCMCDJFY-VWLOTQADSA-N 398.462 4.820 30 40 GJEB CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 4870608 KUFRNMIQWRNROJ-QFIPXVFZSA-N 397.430 4.672 30 40 GJEB O=[N+]([O-])c1cc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)ccc1Cl 5460643 UQBFWCKYLUKQKX-KEBDBYFISA-N 381.779 4.831 30 40 GJEB CCOc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(C)c(C)c2)cc1 6418506 CUVFHKLIPAHMBC-KGENOOAVSA-N 391.467 4.579 30 40 GJEB Cc1sc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc1-c1ccc(F)c(F)c1 9125691 YWFVBITXYGMIFN-LLVKDONJSA-N 399.422 4.674 30 40 GJEB O=C(O)c1cc(-c2ccc(/C=N/c3cc([N+](=O)[O-])ccc3O)o2)ccc1Cl 35189345 HCUGWDNECMELQK-AWQFTUOYSA-N 386.747 4.663 30 40 GJEB Cc1cc(C#N)c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 215682822 XWQJAKUUIDWHMW-IYBDPMFKSA-N 379.529 4.525 30 40 GJEB N#Cc1c(N)nc(SCc2ccccc2F)nc1Cc1ccccc1Cl 223666637 JDHYGLXPWQLOLS-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2cccc3ccccc23)cc1 225887534 QAAZGWZERVYERF-UHFFFAOYSA-N 397.434 4.722 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCCC3)c3ccccc23)c1 408595894 XSGQASKXEGKGSE-HZHRSRAPSA-N 375.428 4.899 30 40 GJEB COc1cc(/C=N/c2ccc(F)cc2)ccc1OCc1cccc(C(=O)O)c1 408858002 QZAVZZMNLREBFX-ZMOGYAJESA-N 379.387 4.862 30 40 GJEB CC/N=C1\S/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1CC 408933066 HEEFAHZQNGERIQ-APDAAHADSA-N 393.434 4.808 30 40 GJEB CCN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])S/C1=N/c1ccc(F)cc1 409230826 GBEDETFNNYVYQR-HZLXZKDJSA-N 397.431 4.914 30 40 GJEB N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCCC[C@@H]2C#N)cc1 596696316 ZNBTXFULBGRPKT-WIYYLYMNSA-N 388.471 4.536 30 40 GJEB COc1ccc([C@H]2C=C3c4ccccc4C(=O)N3C3=C2C(=O)CC(C)(C)C3)cc1 4024066 ANTKUNSIYDXWDM-LJQANCHMSA-N 385.463 4.933 30 40 GJEB biogenic CO[C@@H]1CCC[C@H](C(=O)NC2(C#Cc3cncc4ccccc34)CCCCC2)C1 19592645 KFGDOWDZRHQHKG-SIKLNZKXSA-N 390.527 4.611 30 40 GJEB CN1/C(=C\C(=O)COC(=O)CCc2ccccc2Cl)C(C)(C)c2ccccc21 32957637 BDJXAQORMCZBTA-STZFKDTASA-N 397.902 4.696 30 40 GJEB O=C1Nc2ccc(Br)cc2/C1=N/Nc1cc(Cl)cc(Cl)c1 223763296 QEKIYKQQSVBHLE-UHFFFAOYSA-N 385.048 4.524 30 40 GJEB COc1cccc(/C=N/c2ccc(-c3ccccc3)cc2)c1O[C@@H](C)C(=O)O 409247584 ILPGELFBMWGZRX-WTJYETQFSA-N 375.424 4.965 30 40 GJEB O=C(CSC(F)(F)C(F)(F)C(F)(F)F)Sc1nc2ccccc2o1 1799258 JJIXLUMZDOJJHN-UHFFFAOYSA-N 393.305 4.970 30 40 GJEB C#CCSc1nc2c(c(=O)n1CC(=C)C)C1(CCCC1)Cc1ccccc1-2 2095987 QBULGDVXOGXXGB-UHFFFAOYSA-N 376.525 4.580 30 40 GJEB biogenic CCCC(=O)NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F 3082556 IYKKRUYYIRMSMM-UHFFFAOYSA-N 396.253 4.855 30 40 GJEB Cc1ccc(C)c(NC(=O)CCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 6486890 NXKDJBWWGZNNCM-OAHLLOKOSA-N 377.469 4.508 30 40 GJEB Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3sccc3C#N)sc2n1 8395774 GPDCICVJUKUZEK-UHFFFAOYSA-N 378.482 4.889 30 40 GJEB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=N/Nc1cccc(C(F)(F)F)c1 17063258 ARZWFGBRXXXGPD-HZHRSRAPSA-N 380.757 4.549 30 40 GJEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 28182458 OEYDUMUKKGHWTH-AFPJDJCSSA-N 375.424 4.758 30 40 GJEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1 101650692 VXYLLMFQYPVKIZ-DRGFOCDESA-N 395.528 4.709 30 40 GJEB N#Cc1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(C#N)c2)c1 4195944 UOTJCJDASSWSPB-UHFFFAOYSA-N 388.471 4.738 30 40 GJEB Cc1cc(C)c2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c(C#N)cc2c1 4849138 UMSGLZCWDVOVDS-INIZCTEOSA-N 387.508 4.793 30 40 GJEB CCOc1cc(/C=N\n2c(S)nnc2-c2ccc(C(C)(C)C)cc2)ccc1O 12465764 ZXCUFRZUEJFQHA-XKZIYDEJSA-N 396.516 4.518 30 40 GJEB COc1ccc(/N=C(\C)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 100643571 AYDIXHLHPPMCQJ-PCLIKHOPSA-N 384.435 4.846 30 40 GJEB Cc1cc([N+](=O)[O-])ccc1/N=C\c1cc(Br)c(N2CCCC2)o1 408820668 XYNYGEFEGGZANS-ZDLGFXPLSA-N 378.226 4.610 30 40 GJEB CCOc1cccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)c1 408885293 YZKQWDXGAVWNTI-YVLHZVERSA-N 388.876 4.639 30 40 GJEB N#Cc1c(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)sc2c1CCC2 673249 KMKUSMMVDCUIAN-UHFFFAOYSA-N 384.354 4.597 30 40 GJEB Cc1ccc(Cn2cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)cc1 4739629 ZNZYZSALWDCRJS-WYMPLXKRSA-N 385.427 4.747 30 40 GJEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5157712 HUIWGCHBKNLVMM-MFOYZWKCSA-N 393.222 4.552 30 40 GJEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3cccs3)N3CCCC3)o2)cc1 27990963 PPRGATJBAYTAAZ-GOSISDBHSA-N 378.501 4.832 30 40 GJEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCCC3)/C2=N\C(C)(C)C)cc1 33435811 HNYFMDLKHXZFRL-YXQDFNCHSA-N 381.564 4.954 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc(CC)c2c(c1C#N)CCCC2 95471994 DHBFQLCYZPOPQP-UHFFFAOYSA-N 395.528 4.524 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccccc3Cl)cc2)nc1 408750084 KICGKDWOBVHWQP-JJFYIABZSA-N 382.807 4.668 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1 408908468 CRQUOBFNLWQUPG-BKUYFWCQSA-N 392.371 4.528 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(O)cc3)S2)c(C)c1 409017135 KKHDRELCRIXMCG-MOSHPQCFSA-N 389.480 4.691 30 40 GJEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1 409083526 BJJMNNWTXUXHRY-LSHDLFTRSA-N 387.802 4.636 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)nc1 4048010 RVCQFTIVJSAIDP-BHGWPJFGSA-N 389.390 4.578 30 40 GJEB C=CCOc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC 10414233 CJYCQXQMRDDIFA-UHFFFAOYSA-N 383.778 4.767 30 40 GJEB C=CCc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(OC)c1OC 12988856 ITRPPWQTRAHDCW-UHFFFAOYSA-N 380.469 4.808 30 40 GJEB C/C(=N\n1c(COc2ccccc2C)nc2ccccc2c1=O)c1cccs1 36615647 SEDSCOQVMWOCCZ-LFVJCYFKSA-N 389.480 4.618 30 40 GJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc4nc(O)[nH]c4c3)o2)c(Cl)c1 1505840495 FHOANTLEXJNOAI-AWQFTUOYSA-N 382.763 4.841 30 40 GJEB C=CCOc1ccc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1 1547206314 FSOJPFLBQJVELO-OAQYLSRUSA-N 399.450 4.582 30 40 GJEB CCOc1ccc(N/N=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1 4175363 LMHTWGSKHKALPB-NCELDCMTSA-N 392.484 4.947 30 40 GJEB Cc1c(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cnn1C 4178719 YXWCFPYLJKIHKI-KXEDMABBSA-N 390.531 4.765 30 40 GJEB N#Cc1c(NC(=O)c2ccoc2COc2ccccc2)sc2c1CCCC2 5033030 FOYRKHHOIGOPMH-UHFFFAOYSA-N 378.453 4.923 30 40 GJEB C=CCN1C(=O)[C@@H](Cc2ccccc2C)S/C1=N/N=C/c1ccc(Cl)cc1 11690443 NNPQUHJBNDBINN-GSGORFQQSA-N 397.931 4.711 30 40 GJEB CCCCCCN/C(=N/S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12562216 LRUAXLBSLCGAGF-UHFFFAOYSA-N 378.925 4.645 30 40 GJEB CCOc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)n1 84807862 JJRZUDCIKQHQAF-UHFFFAOYSA-N 389.908 4.978 30 40 GJEB Cc1sc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c(C#N)c1C 408628926 YFSNIDWGYNGYFO-UHFFFAOYSA-N 384.313 4.670 30 40 GJEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1Cl 408934438 ARLKADWUTDQJFA-VGOFMYFVSA-N 392.238 4.897 30 40 GJEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(C)cc1 408973677 OFEPGOIYNZLBGG-LTWSARMESA-N 383.495 4.762 30 40 GJEB C#CCCCC(=O)N1CCC[C@H]1c1ncc(-c2ccccc2C(F)(F)F)[nH]1 585138547 ZWNCJJKGNOKLFW-KRWDZBQOSA-N 375.394 4.563 30 40 GJEB CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OCC 720599 RSKAWUJSVOKHPS-UHFFFAOYSA-N 398.528 4.867 30 40 GJEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)c1 2407505 JXRNPGBLZFJVQN-UNOMPAQXSA-N 392.432 4.901 30 40 GJEB CN1CCN(/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)CC1 2709390 JDISLKYPDVOOHJ-NHFJDJAPSA-N 394.522 4.879 30 40 GJEB CSc1nc(Br)c(C#N)c(-c2ccccc2)c1Br 5611938 AFAUBYKUKLNEEY-UHFFFAOYSA-N 384.096 4.867 30 40 GJEB CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6381253 BQOBOOXWIODTJC-NRFANRHFSA-N 387.435 4.621 30 40 GJEB CCOc1cc(C/C(O)=N\[C@@H](CC(C)C)c2ccccc2N)ccc1C(=O)O 22056467 OSCVKZCOJUTUFD-IBGZPJMESA-N 384.476 4.652 30 40 GJEB world Cc1ccc(N2C(=O)C[C@@H](c3ccccc3OCc3ccccc3)[C@H]2C#N)cc1 26896069 QXGRSOFDQNGMTF-XZOQPEGZSA-N 382.463 4.987 30 40 GJEB N#Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 33429531 LOUUTAUQZJXSAW-UHFFFAOYSA-N 385.030 4.801 30 40 GJEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1Cc1ccc(Cl)cc1 223668796 WGBRGXYIWZXNGT-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccccc21 408692080 CXVKOBKSDJSXPA-FYJGNVAPSA-N 375.388 4.670 30 40 GJEB COC(=O)c1ccccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)o1 409073340 YDOWZILOGIMIRQ-BHGWPJFGSA-N 389.333 4.593 30 40 GJEB Cc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1C(C)C 409402703 FWLKAEWRBZXIAV-UHFFFAOYSA-N 384.483 4.945 30 40 GJEB COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC 13510141 CUJQKPIQOCCCCD-IWEUPMCNSA-N 394.559 4.811 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCCCC2)o1 18255107 BPXIYSHTVIYZPT-VBKFSLOCSA-N 387.892 4.815 30 40 GJEB CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1 36611422 HRPGSGRLZRKFTB-UFWORHAWSA-N 397.287 4.669 30 40 GJEB Brc1cc(/C=N/Nc2ccc3ccccc3n2)oc1N1CCCC1 59247731 QJKWHRAZEUZREV-UDWIEESQSA-N 385.265 4.637 30 40 GJEB Cc1nc(SCC(=O)N2CCCCC[C@H]2c2ccncc2)c(C#N)c(C)c1C 71798115 IEAWDOSPNHEBTH-FQEVSTJZSA-N 394.544 4.510 30 40 GJEB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC#N 103467179 QSNQPHMCEAYBPK-YHUYYLMFSA-N 386.496 4.609 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253371056 ZZCLFVCHZVPTRZ-WPHHWPCJSA-N 396.575 4.869 30 40 GJEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1cccc(C)c1 408930216 UEFTVDZXCDLCMJ-SAPPFYIZSA-N 396.512 4.505 30 40 GJEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3297904 MXWHPXBBSBVJTQ-MRXNPFEDSA-N 386.407 4.535 30 40 GJEB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 4066722 KIPFGZWQNOGHHE-JOCHJYFZSA-N 392.543 4.612 30 40 GJEB C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 4936315 FNJFIHXNMGSEJN-OAHLLOKOSA-N 394.500 4.684 30 40 GJEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2C)cc1 5486200 HQUXQMZSZRKEGC-OAHLLOKOSA-N 390.483 4.799 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccc([N+](=O)[O-])cc1 5551433 LBICWCJSTPNINE-AUWJEWJLSA-N 394.239 4.793 30 40 GJEB N#Cc1cccc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)c1 6994746 JJODWWWOWAYPDJ-UHFFFAOYSA-N 395.919 4.685 30 40 GJEB C=CCN(C(=O)c1nc(-c2ccco2)sc1C)c1nc2c(s1)CCCC2 12981076 AVYSGEVROPCRFW-UHFFFAOYSA-N 385.514 4.880 30 40 GJEB C=CCc1cc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)ccc1OC 14396431 XGAVZVOBAWGMFS-UHFFFAOYSA-N 399.512 4.793 30 40 GJEB CN(Cc1ccccc1NCC(=O)NC1(C#N)CCCCCC1)C1CCCCC1 32906656 JGCJWCWITTYDCO-UHFFFAOYSA-N 396.579 4.596 30 40 GJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 40112864 OYRXBRRRTHBMOZ-OAHLLOKOSA-N 377.444 4.529 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccs1 2264604 OKJJXLGPEOBYEB-UHFFFAOYSA-N 384.530 4.540 30 40 GJEB CCN(CC)CCCNc1cc(C(F)(F)F)c(C#N)c2nc3ccccc3n12 4674079 QNAGZQHUKLXZAC-UHFFFAOYSA-N 389.425 4.522 30 40 GJEB Cc1ccc(NC(=O)CCCC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1C 6488139 ONXYVPLYUPOZON-QGZVFWFLSA-N 391.496 4.898 30 40 GJEB N#Cc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1 8748449 STVQNWULOXERAV-UHFFFAOYSA-N 390.752 4.668 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13686715 UXDVVRUWUJWERQ-UHFFFAOYSA-N 384.479 4.763 30 40 GJEB COc1cccc([C@@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)c1OC 24107010 TYQFISKKFAJDHQ-HXUWFJFHSA-N 398.466 4.696 30 40 GJEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 51366829 ALYYALWJRRFUQD-GIUUDRRCSA-N 379.529 4.856 30 40 GJEB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@H](F)C[C@@]21C 118932252 YONXONMPECKFJO-DSWGTCOTSA-N 397.328 4.511 30 40 GJEB O=C(O)c1ccc(COc2ccccc2/C=N\c2ccc([N+](=O)[O-])cc2)cc1 408858301 RQIXWVVUSUIVCM-XKZIYDEJSA-N 376.368 4.623 30 40 GJEB C=CCn1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c2ccccc21 408959914 AHKHHHNOXXJWRH-DEDYPNTBSA-N 389.480 4.728 30 40 GJEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1 13482296 SFSJUPHOHNFSES-CCMJGWDWSA-N 396.874 4.571 30 40 GJEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3CC(C)C)cc1OC 20746028 GQAUYQQKRWNSTM-JKSUJKDBSA-N 396.487 4.956 30 40 GJEB C=C(C)CSc1nnc(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)s1 32674120 FXFAXVNCMAAEHJ-ZIAGYGMSSA-N 393.603 4.607 30 40 GJEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)c(O)c1 59459452 OYVSKHRLUXYTSH-NDENLUEZSA-N 395.528 4.747 30 40 GJEB CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1OC 72332396 OTSPZIIVOAOKEZ-IBGZPJMESA-N 382.460 4.591 30 40 GJEB COc1cc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc(OC)c1O 96766967 DXRWKXRUYSYECY-VHFIJRQBSA-N 388.419 4.809 30 40 GJEB C=CCOC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 2420977 MDZQHXDFKBVUGZ-UHFFFAOYSA-N 384.815 4.530 30 40 GJEB biogenic Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)S2)cc1 4676058 PQEBWOJAIXPDMP-UYRXBGFRSA-N 381.476 4.626 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1 4713113 JQPTUGJRAVFJBN-SSDVNMTOSA-N 387.321 4.517 30 40 GJEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Br)cc2)S1 5551161 VWBVAYIGRYFPGD-WJDWOHSUSA-N 387.302 4.903 30 40 GJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(F)c(F)c3)c12 8026422 ONAAAMLHULCEII-PKNBQFBNSA-N 377.394 4.958 30 40 GJEB C#CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408557929 PMHMPKCYKBBNMX-FQEVSTJZSA-N 387.888 4.529 30 40 GJEB N#Cc1c(SCc2c(Cl)cccc2Cl)sc2c(O)cc(=O)[nH]c12 4945723 SDUULZYUEFUHSV-UHFFFAOYSA-N 383.281 4.766 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(/C=C/c2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1 5446669 ZDGOXDDEKRMVBJ-XUXGMHMMSA-N 389.495 4.628 30 40 GJEB C(=N/Nc1nc2ccccc2[nH]1)\c1cn(-c2ccccc2)nc1-c1ccccc1 5695112 AYEGSNGAKIJLBH-BUVRLJJBSA-N 378.439 4.862 30 40 GJEB C[C@@H]1CCc2sc(NC(=O)c3ccccc3Br)c(C#N)c2C1 5919965 AHSDLXHUMNGHMF-SNVBAGLBSA-N 375.291 4.759 30 40 GJEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 7620963 DHUKZAQXRXULKQ-ZSOIEALJSA-N 393.346 4.505 30 40 GJEB CCOc1cc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)ccc1O 12032555 ZYUJYONCQHAKMO-MOSHPQCFSA-N 390.464 4.836 30 40 GJEB CCCCc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 16956286 ZPBXUTZDUKHSLH-UHFFFAOYSA-O 388.535 4.679 30 40 GJEB CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cn(CCC#N)c2ccccc12 32502545 AEUKDCGGMGBBBW-JXMROGBWSA-N 383.904 4.942 30 40 GJEB C=CCN(Cn1nc(C)n(Cc2ccccc2)c1=S)[C@H]1CCc2ccccc21 32916165 BHDZGJFXEZUOOM-QFIPXVFZSA-N 390.556 4.904 30 40 GJEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)s1 223899776 MONLRXQEEXLSMX-INIZCTEOSA-N 385.514 4.766 30 40 GJEB CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1 408961542 MYUAEMIUMLMJNI-ITRAFESCSA-N 382.485 4.764 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 4312169 NHVIPVUFLLVFOX-FQEVSTJZSA-N 391.373 4.748 30 40 GJEB CC1(C)CC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC(C)(C)N1 14118782 IMXJZSGOKDXEIE-UHFFFAOYSA-N 393.556 4.748 30 40 GJEB OC(C/C(Cc1ccccc1)=N/Nc1ccccc1)(C(F)(F)F)C(F)(F)F 17002730 OAHPSSAZMQFCQH-CVKSISIWSA-N 390.327 4.943 30 40 GJEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)c1C 59249575 LCISGDVAMKGLJQ-NDENLUEZSA-N 375.497 4.995 30 40 GJEB C=CCOc1cccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 80346233 URMCCBPRGAUHGO-UHFFFAOYSA-N 392.528 4.885 30 40 GJEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCC 408932328 VQCKTNNWEBQJOS-HZHRSRAPSA-N 388.895 4.725 30 40 GJEB COc1cc(-c2nc3ccccn3c2/N=C/c2cc(Cl)ccc2O)ccc1O 408973231 AAOSIYCAARIELN-FSJBWODESA-N 393.830 4.825 30 40 GJEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3o2)cc1)c1c(F)cccc1F 409013336 MZTJJLZZBYDMTQ-WYMPLXKRSA-N 393.349 4.771 30 40 GJEB FC(F)Oc1ccccc1/C=N/C1=NN(c2cccc(C(F)(F)F)c2)CC1 3178830 MTPKPKLXPOGKFN-BHGWPJFGSA-N 383.320 4.950 30 40 GJEB CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1 4066720 KIPFGZWQNOGHHE-QFIPXVFZSA-N 392.543 4.612 30 40 GJEB CO/N=C(\CSc1c(Cl)cccc1Cl)c1sc2ncnn2c1C 5721874 XZPRVZBMMYWWIO-YBFXNURJSA-N 387.317 4.549 30 40 GJEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/Nc1ccccc1C(=O)O 6049170 GMUKTOWQZNYEEP-UFFVCSGVSA-N 389.242 4.632 30 40 GJEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 6275813 BEBQCRPDKHWLDS-UHFFFAOYSA-N 397.834 4.556 30 40 GJEB Cc1nc2n(n1)[C@@H](c1cccc3ccccc13)C1=C(C[C@H](c3ccco3)CC1=O)N2 8560021 OFSLLUNCYUHQFJ-HJPURHCSSA-N 396.450 4.748 30 40 GJEB C=CCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)s1 39989305 FJLBZZMTRRTALQ-ZDUSSCGKSA-N 377.535 4.654 30 40 GJEB Cc1cc(I)c(O)c(/C=N/c2ccc(F)c(Cl)c2)c1 1433547 KGRLYSOMNMTCAE-CNHKJKLMSA-N 389.595 4.848 30 40 GJEB C=CCn1c(SCc2cc(Cl)cc3c2OCOC3)nnc1-c1ccccc1 4285760 VIWBGXKKHMTKQM-UHFFFAOYSA-N 399.903 4.943 30 40 GJEB Cc1cccc(-n2c(S[C@H](C)C#N)nc3sc4c(c3c2=O)CCCS4)c1 7441493 XJNLIDBYSYVWLS-GFCCVEGCSA-N 399.566 4.798 30 40 GJEB N#Cc1c(NC(=O)CCN2CCC[C@H]2c2cccs2)sc2c1CCCC2 8320324 YOBGHVYIMXXLSJ-INIZCTEOSA-N 385.558 4.726 30 40 GJEB C=CCN(C(=O)Cc1c(C)nc2ccccc2c1C)c1nc2c(s1)CCCC2 23656583 DTANDCPKKSGPEM-UHFFFAOYSA-N 391.540 4.949 30 40 GJEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59302186 IMVBJCKOWAOMKX-VXLYETTFSA-N 383.673 4.591 30 40 GJEB CN(C)c1ccc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc1Br 408977775 FOAAVBBNEXIJAR-UHFFFAOYSA-N 393.288 4.528 30 40 GJEB Cc1c(/N=C/c2cccn2-c2cccc(Br)c2)cccc1C(=O)O 409016538 DGTRLEBLNYGOOY-CIAFOILYSA-N 383.245 4.997 30 40 GJEB CCOc1ccc(/N=C2/S[C@@H](Cc3ccccc3OCC)C(=O)N2CC)cc1 409145286 NUKUUKDTHJDQJK-UTTYWZDOSA-N 398.528 4.678 30 40 GJEB N#C[C@@]1(C(=O)Nc2cccc(C(=O)O)c2)CC2c3ccccc3C1c1ccccc12 1437171 XDPXAQJYIBTAAH-OWWUNANSSA-N 394.430 4.514 30 40 GJEB CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/c1ccc(Cl)cc1 1446297 VBMIAUUNDBYWOH-SDLDRHLBSA-N 376.934 4.912 30 40 GJEB O=C1C=CC2=N[C@]34c5ccccc5CC[C@@H]3CC3=C(c5ccccc5CC3)N4C2=C1 2336565 JXSBMYTUCHGFFX-NFQMXDRXSA-N 390.486 4.942 30 40 GJEB O=C1/C(=C/c2cccc3c2OCO3)CCCC/C1=C\c1cccc2c1OCO2 5816364 JTZYUHBCIWKLAT-JOBJLJCHSA-N 376.408 4.754 30 40 GJEB O=C1N/C(=N/N=C(\Cc2ccccc2)c2ccccc2)S[C@H]1c1ccccc1 33247037 WZBSNTFNJNRRLN-VQLSHFFXSA-N 385.492 4.594 30 40 GJEB N#Cc1ccc(Cc2cnc(NC(=O)C3CCCC3)s2)c(C(F)(F)F)c1 40110802 HCYFCSGQNGJTHJ-UHFFFAOYSA-N 379.407 4.753 30 40 GJEB CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 100210409 ZPCPQPRXPIKYLZ-OEAKJJBVSA-N 391.427 4.930 30 40 GJEB COC(=O)c1ccccc1SC/C(=N\O)c1cc(Cl)sc1Cl 100278383 SBAWMQBIRZCVFJ-LICLKQGHSA-N 376.286 4.812 30 40 GJEB CSC1=N[C@H](c2ccc3c(c2)OCO3)C(C(C)=O)=C(C)N1c1ccccc1 408729003 ADZBEHXKFGTTEB-HXUWFJFHSA-N 380.469 4.559 30 40 GJEB CSC1=N[C@@H](c2ccc(N(C)C)cc2)C(C(C)=O)=C(C)N1c1ccccc1 408730264 GNYDDNARNPCREG-NRFANRHFSA-N 379.529 4.896 30 40 GJEB COc1cccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(C)C2=O)c1OC 4664487 FUCHISNAWDUQCJ-RTPPHFGYSA-N 382.485 4.554 30 40 GJEB Cc1cc(N/N=C/c2ccc(N(C)C)cc2)c2cc(Br)ccc2n1 5180589 SHUASIPODXUPQZ-CIAFOILYSA-N 383.293 4.818 30 40 GJEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1 5520037 SCRYBPZQUVHSHH-SXGWCWSVSA-N 392.311 4.951 30 40 GJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 5559486 FJMRMPPMIDDDEX-MRXNPFEDSA-N 379.218 4.643 30 40 GJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 18190658 XZYSBVMGYAAXNN-NRFANRHFSA-N 377.440 4.625 30 40 GJEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59250361 CFQBVPKSZMBRBQ-FOKLQQMPSA-N 396.830 4.895 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N/c1ccc(C)cc1 97455762 YIMBNFDAYYXSBA-OEEVFVCYSA-N 394.496 4.796 30 40 GJEB Cc1sc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c(C#N)c1C 408628418 STRAETIAMXXBEU-UHFFFAOYSA-N 384.313 4.670 30 40 GJEB Cc1ccc(-c2nnc(S)n2/N=C/C(Br)=C/c2ccccc2)cc1 2706373 KFZIVKCIXXEAON-ULQIOQDBSA-N 399.317 4.812 30 40 GJEB C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 4867357 MLYLNXQILUNAQM-YYADALCUSA-N 385.511 4.954 30 40 GJEB Cc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccc(F)cc2)o1 5751337 GXOHTWNJGQZCMV-NRFANRHFSA-N 377.419 4.786 30 40 GJEB C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccoc1C 6911176 RHODDNIIXSNDQR-UHFFFAOYSA-N 383.473 4.536 30 40 GJEB CN(CC(=O)Nc1ccccc1C#N)Cc1ccc(-c2ccc(Cl)cc2)o1 7988314 RXYYYHBJDKPDSG-UHFFFAOYSA-N 379.847 4.542 30 40 GJEB COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccccc3C)N(C)C1=O)S2 13475586 QSOQKTRIUQGFID-KAXIZBKFSA-N 397.525 4.608 30 40 GJEB Cc1ccc(C)c(N/C(S)=N/[C@@H](C)[C@@H](c2cccs2)N2CCOCC2)c1 23182194 BYQUCLIJNMMBOX-LPHOPBHVSA-N 389.590 4.525 30 40 GJEB C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 29811272 QOZHJJZAXRLLLZ-MRXNPFEDSA-N 394.519 4.731 30 40 GJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCCC4)o3)o2)cc1C 33027101 DKPYSZAEYAIPDK-UHFFFAOYSA-N 377.444 4.992 30 40 GJEB CCCOc1c(Cl)cc(C(=O)[C@H](C#N)c2nc(C)cs2)cc1OCC 40089622 NRRKMPUHYDLBRF-ZDUSSCGKSA-N 378.881 4.783 30 40 GJEB Cn1c(Cc2ccccc2)ns/c1=N\C(=N\c1ccccc1)c1ccccc1 102431353 KVVCHNAXXJHXKD-KUXGFVDGSA-N 384.508 4.752 30 40 GJEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2C3=C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 263609794 VLQLBBGNUJQREB-BOFXTESCSA-N 384.516 4.575 30 40 GJEB C#CCOc1c(Cl)cc(/C=N/Nc2nc3ccccc3n2CC)cc1OCC 408692629 REULAHABAZFTRT-OEAKJJBVSA-N 396.878 4.566 30 40 GJEB Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(O)c(Cl)c2)S1 408791274 YBAPZFUBQUMNGB-CHHVJCJISA-N 379.268 4.899 30 40 GJEB CC1(C)[C@@H](/C=C2/CCSC2=O)[C@H]1C(=O)OCc1coc(Cc2ccccc2)c1 1842011 UGWALRUNBSBTGI-JXOUBNESSA-N 396.508 4.776 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)CC(=O)N2c1cccc(C(=O)O)c1 2257497 DXYABYVYJGLWDU-QGZVFWFLSA-N 395.842 4.566 30 40 GJEB C[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CC[C@@H](C)C3 4241958 ITEIDPMMQAHMQV-NEPJUHHUSA-N 399.516 4.715 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1 4285962 YRJOYXNZVPVWQP-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB Cc1ccc(C)c2nc3c(cc12)CN(C[C@H]1CCCO1)/C(=N\CC(C)C)S3 4967330 WPZQYQMERSOPKA-KGNHYALCSA-N 383.561 4.950 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)C=C1c3cc4c(cc3CCN12)OCO4 5451174 XAKZPVHZWZPAGQ-GOSISDBHSA-N 389.426 4.558 30 40 GJEB Cc1ccc(C(C)C)c(O)c1NC(=S)N/N=C/c1cc(Cl)ccc1O 6546292 WHSPWYBPWLPSNH-AWQFTUOYSA-N 377.897 4.504 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)SC1=S 13548757 NXXILHIITZHBNW-YBEGLDIGSA-N 386.454 4.550 30 40 GJEB CO/N=C/C(=N/Nc1ccc(OC)cc1)C(=O)c1ccc(-c2ccccc2)cc1 100918974 HQHMHOLOZGREDK-KLCIZJNOSA-N 387.439 4.645 30 40 GJEB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCC#N 102207641 UEBIBEVENUWIJS-XNTDXEJSSA-N 386.238 4.702 30 40 GJEB C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225925575 POFQIWNCYCVIBM-UHFFFAOYSA-N 378.457 4.534 30 40 GJEB COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C/c2ccc(C(C)C)cc2)C1=O 408727489 ZRLCSASOVKEPJI-KGENOOAVSA-N 375.468 4.996 30 40 GJEB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2C#N)cc1 408740904 JBAGICIHVLHIIW-BUVRLJJBSA-N 393.446 4.943 30 40 GJEB N#C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(C(F)(F)F)c1 517605228 MCQPFOKUBQWKMF-MRXNPFEDSA-N 377.753 4.835 30 40 GJEB CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 4413752 MSTNDOSNWIVCBJ-QFIPXVFZSA-N 390.483 4.682 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)o3)S2)cc1C 5376721 PBIMWQLKQPCUHL-MDWZMJQESA-N 377.263 4.551 30 40 GJEB C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 12062889 YAVXHHYQXYGZDD-NRFANRHFSA-N 389.451 4.621 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc2ccccc2c1 20026828 JKAPODGJALZFTF-QFIPXVFZSA-N 395.458 4.971 30 40 GJEB C(=N/Nc1nc2ccccc2nc1-c1ccccc1)\c1ccc2nccnc2c1 46085347 VFGDFQDEFJYBBS-CVKSISIWSA-N 376.423 4.686 30 40 GJEB CCCCOc1ccc(/C=C2/Oc3ccc(C(=O)OC)cc3C2=O)cc1OCC 95951245 SUWASMQOYUCUJT-FYJGNVAPSA-N 396.439 4.667 30 40 GJEB Cc1ccccc1NC(=O)c1sc(NC(=O)c2cccc(F)c2)c(C#N)c1C 870715 ICQSXSUVEMFFMY-UHFFFAOYSA-N 393.443 4.880 30 40 GJEB CC(=O)c1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 1223965 PIWLLELENHCBGL-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB C=CCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033341 PXMPCXIBJDUFAY-AWEZNQCLSA-N 385.389 4.762 30 40 GJEB Cc1cccc(OCC(=O)Nc2ccc(/C=C/C(=O)c3cccs3)cc2)c1 4649195 VPXNAQPJXXCPQZ-FMIVXFBMSA-N 377.465 4.970 30 40 GJEB N#Cc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 5192763 VHPDRFKVMLKSCR-UHFFFAOYSA-N 384.258 4.697 30 40 GJEB COc1cc(/C=C(/C(=O)c2cccs2)c2nc3ccccc3[nH]2)ccc1O 5696026 WLDRXJHNTMBULD-KAMYIIQDSA-N 376.437 4.762 30 40 GJEB CN(C)c1nc(/C=C/C(=O)c2ccc(F)cc2)c(Cl)n1-c1ccc(F)cc1 5836646 RHEFQPMYVBDQGW-VAWYXSNFSA-N 387.817 4.766 30 40 GJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Br)cc1F 32905235 WQIOYTHSVOUQON-UHFFFAOYSA-N 395.231 4.635 30 40 GJEB CCn1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cn1 36612965 GRGPFDIQHWNPSQ-KXEDMABBSA-N 390.531 4.940 30 40 GJEB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C 253501307 ZNSPUNVBZGKQFL-JTTPTCAVSA-N 386.576 4.897 30 40 GJEB biogenic,in-vitro Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1C 408771997 KPHUOIURNBAKKB-CHHVJCJISA-N 380.300 4.840 30 40 GJEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408800149 NEYPUELAFVJZLM-QFEZKATASA-N 392.430 4.911 30 40 GJEB CCOC(=O)Cn1c(C)c(/C=C2\Sc3ccccc3C2=O)c2ccccc21 408818115 XXVVWNSEVIAAJK-NDENLUEZSA-N 377.465 4.842 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 408911205 ZEXWJXIQASLGKY-BIXZQSIESA-N 397.456 4.617 30 40 GJEB COc1cccc(/C=N/c2ccc(-c3ccccc3)cc2)c1O[C@H](C)C(=O)O 409247582 ILPGELFBMWGZRX-DTVDJLOLSA-N 375.424 4.965 30 40 GJEB Cc1cc(SCC(=O)c2cc(C)n(C)c2C)n2c(nc3ccccc32)c1C#N 4485070 JVLAQFYKBLGZPH-UHFFFAOYSA-N 388.496 4.598 30 40 GJEB NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(Oc2ccccc2)cc1 5009215 FFGAUYIFTOYJJW-UHFFFAOYSA-N 399.475 4.805 30 40 GJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccccc1OC 5455155 RKLUEEIXGFCBNN-AFUMVMLFSA-N 383.455 4.685 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21 5619118 XJVPZWTUYKKPAX-UHFFFAOYSA-N 391.418 4.972 30 40 GJEB C/C(=N\N=c1\[nH]c(-c2ccc(Br)cc2)cs1)c1ccc(O)cc1 13943408 IGUBIKLVVLKBQS-RGVLZGJSSA-N 388.290 4.536 30 40 GJEB Cc1ccc(-c2nc(C#N)c(N/N=C/c3ccccc3Br)o2)cc1 16731998 ZQEJWAOTSALUCW-SRZZPIQSSA-N 381.233 4.730 30 40 GJEB Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C)C3)cnn1C 17081606 RRSJLOUGMUBCFX-XMTZNVEYSA-N 398.576 4.728 30 40 GJEB CCc1ccc([C@H](NCC(=O)NC2(C#N)CCCCCC2)c2cccs2)cc1 29939495 SYCDPUPKKFIRMY-QFIPXVFZSA-N 395.572 4.722 30 40 GJEB CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35895373 NWFHFVVSRPURLP-BHDDXSALSA-N 399.469 4.968 30 40 GJEB COc1ccc(C(=O)/C=C/Nc2ccccc2C(=O)c2ccccc2)cc1OC 44843616 JUSTZSZTIKHPKR-CCEZHUSRSA-N 387.435 4.743 30 40 GJEB O=C(/C(F)=C(\F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F 95681751 OGUAMXMVIRXTMU-OWOJBTEDSA-N 378.059 4.737 30 40 GJEB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1 100152550 HHUZEGXVVUZZPD-VWFLXZPHSA-N 388.467 4.849 30 40 GJEB CCOc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 100242829 WFTVBYREGCNNEG-JLPGSUDCSA-N 380.488 4.664 30 40 GJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](F)C[C@@]21C 118933252 RFOAVWDSMLIUEY-DCJXKKNWSA-N 394.914 4.926 30 40 GJEB COc1cc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)cc(Cl)c1O 408563902 SAOKAUYVGRCJJJ-WEVVVXLNSA-N 390.766 4.513 30 40 GJEB NC(=S)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408740313 JZKDEYWROYMFQR-YZSQISJMSA-N 396.519 4.978 30 40 GJEB COc1ccccc1/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 408849110 USPVAXWWAGRSSU-ZVHZXABRSA-N 391.423 4.732 30 40 GJEB COc1cccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c1 409277573 BEWOXGUNNMAABO-UHFFFAOYSA-N 395.418 4.701 30 40 GJEB COc1ccc([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CCC3)c(OC)c1 4944901 PTDDCHNMZCFBRC-LJQANCHMSA-N 391.467 4.540 30 40 GJEB COc1ccc2c(/C=N/Nc3ncnc4sc5c(c34)CCCC5)c[nH]c2c1 5531049 OEYIRDHQXNFTPX-YSURURNPSA-N 377.473 4.506 30 40 GJEB COCCN1C(=O)/C(=C\c2ccc(Cl)s2)S/C1=N\c1ccccc1 5660836 WRXCBMKEHCJSLJ-XZYLENRPSA-N 378.906 4.652 30 40 GJEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 10266879 UAUHOJISPZNAJQ-LLVKDONJSA-N 380.300 4.996 30 40 GJEB C=CCn1c(-c2ccc(OCC)cc2)cs/c1=N/N=C\c1cccc(F)c1 33337659 YOULZRFRYBDKCM-MKLDVCOBSA-N 381.476 4.875 30 40 GJEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(Cl)cc1 35647410 GHHIRNJJKKNMPU-NTEUORMPSA-N 393.693 4.994 30 40 GJEB CCc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(C)cc34)CC2)cc1 38653279 BOJRRWRIIQNKPK-UHFFFAOYSA-N 398.510 4.832 30 40 GJEB Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC#N)cc3)SC2=S)c(C)c1 54498914 BNUYCSSGNRJTIC-LDADJPATSA-N 380.494 4.612 30 40 GJEB COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cc(Cl)c1O 60203509 CJTVBJGAXUFSLJ-MDZDMXLPSA-N 382.847 4.753 30 40 GJEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2OC)C1=O 408536432 ZLLLXDQHWQGKIK-AQTBWJFISA-N 383.494 4.666 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Br)s3)S2)cc1 408967568 VUYPGGUTTHJTJC-XYOKQWHBSA-N 379.304 4.711 30 40 GJEB C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)CC1=O 4385992 YYDPMXSIBDYZQS-LJQANCHMSA-N 387.527 4.884 30 40 GJEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 8559754 VUQGLTCKZSOYSR-IERDGZPVSA-N 390.874 4.656 30 40 GJEB C[C@@H](SCc1ccc(C(=O)O)cc1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 12591634 LAUSTXLAQXECAY-NWGMWSOJSA-N 395.524 4.887 30 40 GJEB Cc1ccc(N2C(=O)/C(=C\C(=O)c3c[nH]c4ccccc34)SC2=S)cc1 77024391 YNYCALCDKVRFJJ-VCHYOVAHSA-N 378.478 4.608 30 40 GJEB C=CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 224735085 MSJFYDKMRRCJCO-UHFFFAOYSA-N 394.334 4.756 30 40 GJEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408949035 RWAJCJWFXXTFJO-FOKLQQMPSA-N 396.830 4.895 30 40 GJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 984966 ZDAMFFNUUYJJGD-UHFFFAOYSA-N 384.526 4.613 30 40 GJEB O=C1N/C(=N\c2ccc(-c3ccccc3)cc2)S/C1=C\c1ccc(O)c(O)c1 2772661 SMFUZZBUGUKMOC-MOSHPQCFSA-N 388.448 4.656 30 40 GJEB CSc1nc(Cl)c(/C=N/Nc2cccc(C(F)(F)F)c2)c(Cl)n1 4280854 TYHAWJKNAPQCNF-KPSZGOFPSA-N 381.210 4.970 30 40 GJEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 8958714 HZDMJGCOZYWCIQ-UHFFFAOYSA-N 384.863 4.530 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1F 13564367 RXTOYZWXQSFLSG-KMDXXIMOSA-N 395.474 4.533 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(C(F)(F)F)c1 33736538 AXPUNUWWGXXECU-VULFUBBASA-N 393.368 4.965 30 40 GJEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O 36093482 IXZMSCFYBRJETR-WTLZDUFCSA-N 395.528 4.556 30 40 GJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Br)cc2)cc1 36353951 DWLAOCFKKVTLLK-MRXNPFEDSA-N 393.244 4.630 30 40 GJEB Cc1ccc(O)c([N+](=O)N=C2C=CC=CC2=N[N]c2c(O)ccc3ccccc23)c1 330094182 PMLAFPVSMDKJHO-UHFFFAOYSA-O 398.422 4.744 30 40 GJEB C=CCc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc(OC)c1O 409002939 QFOHQFKGEPAOQK-UHFFFAOYSA-N 382.485 4.776 30 40 GJEB CCOc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1OC 8811346 NCNFARFVGCVPCX-KEBDBYFISA-N 397.700 4.634 30 40 GJEB COc1ccc([C@H](CN/C(C)=C/C(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 25538988 PYALLSWKUUJCNK-DKXPKDADSA-N 398.934 4.862 30 40 GJEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C#N)c1 225774021 SAEZHHPADHMZMQ-GOSISDBHSA-N 392.499 4.731 30 40 GJEB Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1[N+](=O)[O-] 408906400 JBZBVZVGZGLLQO-KDWIEBRMSA-N 381.457 4.916 30 40 GJEB COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c(OC)c1 8277594 FDMDYIRWSDNZKW-RQZCQDPDSA-N 388.876 4.557 30 40 GJEB Cc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19959914 VLVUKXYHLHWURJ-JTSKRJEESA-N 388.471 4.719 30 40 GJEB Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C)cc1C 101649839 OUXMUNNKWZMJCN-CCWVLBSLSA-N 395.528 4.510 30 40 GJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3cccc(Cl)c3Cl)C2=O)s1 137383829 UCPKGIBDIXCKCS-LIWMPSKCSA-N 384.313 4.825 30 40 GJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 216830133 RDLDLBXVCFDYDM-UHFFFAOYSA-N 379.239 4.761 30 40 GJEB C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224962244 KSPDPYQPHJQTGV-UHFFFAOYSA-N 390.263 4.522 30 40 GJEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1c[nH]c2ccccc12 408752161 GLFJKCWDZYLDCY-FRKPEAEDSA-N 398.831 4.621 30 40 GJEB Oc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1I 408963024 LNIHJYNDVUNYCH-REZTVBANSA-N 375.568 4.540 30 40 GJEB C=CCSc1nnc2c3sc4nc(CCC)c5c(c4c3ncn12)CCCC5 1787109 OYZXHDRSQXDKKE-UHFFFAOYSA-N 395.557 4.997 30 40 GJEB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1cccnc1 8419294 SLGXMUYBWNDJML-AWNIVKPZSA-N 383.782 4.645 30 40 GJEB COCCCNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 32594059 XMUQEKLIYYLZCN-UHFFFAOYSA-N 397.862 4.894 30 40 GJEB Cc1cc(OCc2ccc(/C=N/n3c(S)nnc3C(F)F)o2)ccc1Cl 36611114 BAUNMCXNBURBPH-IFRROFPPSA-N 398.822 4.520 30 40 GJEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1cccc(C)n1)C(=O)c1ccccc1-2 100288468 VOFBJLYWAXWOBX-ATVHPVEESA-N 388.423 4.784 30 40 GJEB Cc1ccc2nc(N/N=C/C3=C[C@@H]4C=CC=C[C@@H]4N3)nc(-c3ccccc3)c2c1 102149921 ZQRJEROSEGFKLN-BHSAALAHSA-N 379.467 4.601 30 40 GJEB C=CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 224664437 NCOCIJJHIVTPAZ-UHFFFAOYSA-N 383.498 4.744 30 40 GJEB Cc1sc(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C#N)c1C 408628202 QSRCTZPMWNTPPC-JXMROGBWSA-N 383.542 4.886 30 40 GJEB CCc1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 408859406 UCKLZHCXLCRUDT-ZMOGYAJESA-N 390.439 4.804 30 40 GJEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(Cl)c1O 408908364 RPWRXDVWWPZIHS-JSDDMWTDSA-N 388.876 4.596 30 40 GJEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 409159137 ZGUMHUWQZIEMQF-FCEWJHQRSA-N 381.819 4.977 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 8362901 UKYYWCNJIBRLPG-NFYBBCHUSA-N 382.485 4.636 30 40 GJEB COc1ccc(CN/N=C/c2ccccc2OCc2ccc(F)cc2)cc1OC 20196294 KRZFMLMSSIONDH-CVKSISIWSA-N 394.446 4.546 30 40 GJEB O=[N+]([O-])c1cc(N/N=C/C2=C(O)/C(=C\c3ccccc3)CCC2)cc([N+](=O)[O-])c1 89821492 SABBJSPVFBTFEI-PFCRSNBNSA-N 394.387 4.980 30 40 GJEB CCCCCCCC(=O)N1N=C(CC)C[C@@]1(O)c1ccc(Br)cc1 103764869 HTGBWUCEIYDOFB-LJQANCHMSA-N 395.341 4.953 30 40 GJEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224655212 YCQAVYUCJDETRG-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB COc1ccc(C/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408960799 ODODNCUKQVRHDS-IWIPYMOSSA-N 375.424 4.592 30 40 GJEB N#Cc1ccccc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 409068595 SBHSFSWUCNOVPA-WOJGMQOQSA-N 389.798 4.569 30 40 GJEB C#CCOc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OCC 409106232 MSZNUPUMNKTYNC-YSURURNPSA-N 397.784 4.611 30 40 GJEB Cc1ccc(CCCN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 585295204 PRJVIFVRIWGKRK-QFIPXVFZSA-N 387.487 4.763 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc2ccccc12 2757295 KSRRNAAIWZZHMB-QFIPXVFZSA-N 375.468 4.761 30 40 GJEB CCc1sc2nc(SCCC#N)n(Cc3ccc(C)cc3)c(=O)c2c1C 3445333 QCWONHPABAZORN-UHFFFAOYSA-N 383.542 4.691 30 40 GJEB N#Cc1ccc(-c2ccncc2)nc1SCC(=O)C12CC3CC(CC(C3)C1)C2 4451097 QCUDLLZUQIYDDV-UHFFFAOYSA-N 389.524 4.893 30 40 GJEB COc1cc(/C=N/Nc2ccccc2C(F)(F)F)cc(Br)c1O 4933119 XCKIXIPMSOYJIR-DNTJNYDQSA-N 389.171 4.628 30 40 GJEB Cc1sc2ncnc(SCC(=O)Nc3cc(Cl)ccc3C#N)c2c1C 6113464 OMKZIDJTTYVSSW-UHFFFAOYSA-N 388.905 4.564 30 40 GJEB N#Cc1ccccc1COc1cccc(/C=N/NCc2ccccc2Cl)c1 8811836 XIFBCTVJVORXKG-AFUMVMLFSA-N 375.859 4.914 30 40 GJEB COc1cc(OC)cc(C(=O)/C(=C\c2ccccn2)c2nc3ccccc3o2)c1 9423682 HSFARPHFHDTSRB-CPNJWEJPSA-N 386.407 4.664 30 40 GJEB CC(C)c1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] 58406483 BQXWHNZQGTXRBS-VQHVLOKHSA-N 380.400 4.571 30 40 GJEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1 225919137 HGJRXKHKNIWAKD-UHFFFAOYSA-N 387.863 4.595 30 40 GJEB N#Cc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(F)c1 408628883 GNNXSQHHGGUXKZ-UHFFFAOYSA-N 384.366 4.723 30 40 GJEB CCc1ccccc1/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C 408848745 SZFMJCXFRKMMPT-ZMOGYAJESA-N 390.439 4.804 30 40 GJEB N#Cc1c(I)nc2c(c1C#N)CCCCCCCCCC2 1049999 BSTTXOQQGAERQQ-UHFFFAOYSA-N 393.272 4.649 30 40 GJEB COc1cc(Br)cc(/C=N/c2ccc(Br)cc2)c1O 4745171 BWCAREIVCZIADO-CAOOACKPSA-N 385.055 4.676 30 40 GJEB N#Cc1c(N)n(C(c2ccccc2)c2ccccc2)c2nc3ccccc3nc12 4833583 WJORWKVAGJJJGG-UHFFFAOYSA-N 375.435 4.676 30 40 GJEB CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(O)c(C(=O)O)c2)cc1OC 409376007 RZPLSVHMBDKKDW-GVHCZZSVSA-N 377.824 4.680 30 40 GJEB CSc1ccc(/C=[N+](\[O-])[C@@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1 1436882 RBKNLYPKUHFZEF-VJOZSWGJSA-N 388.583 4.981 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1sc(Cl)cc1Cl 1445447 LTDQJIOYDUSQLJ-HNNXBMFYSA-N 386.300 4.586 30 40 GJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 3641109 RFKMIRPEJYFTGD-FQEVSTJZSA-N 385.463 4.633 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(C)c2)C2=C(CCCC2=O)N1 4993394 BJPFAKUBLLIFBW-HSZRJFAPSA-N 386.495 4.910 30 40 GJEB CN(C)c1ccc(/N=C2\N/C(=N/c3ccccc3)C(=S)N2c2ccccc2)cc1 5422860 PODCPGKFISWKBD-UHFFFAOYSA-N 399.523 4.908 30 40 GJEB N/C(=N/CCc1ccccc1)SCc1cc(=O)oc2ccc3ccccc3c12 7665327 IYEBXCTXIPQUBB-UHFFFAOYSA-N 388.492 4.737 30 40 GJEB Cc1ccc(C(=O)CSc2nc(O)cc(-c3cccs3)c2C#N)c(C)c1 13817512 UGJFNJQYMIOJAA-UHFFFAOYSA-N 380.494 4.979 30 40 GJEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCCc1ccccc1 16196236 SIBDYEUJIQSQSF-PGMHBOJBSA-N 399.446 4.661 30 40 GJEB Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 17077139 SQQCMRQOCTVUPP-MRXNPFEDSA-N 377.275 4.551 30 40 GJEB CCc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19848779 AZNGWDOXAZNZDK-SZXQPVLSSA-N 383.539 4.990 30 40 GJEB O=C1C(=O)N(Cc2ccco2)[C@H](c2cccs2)/C1=C(\O)c1ccc(Cl)cc1 102885989 BZPGCXSSPUFVMA-GROYHEBESA-N 399.855 4.616 30 40 GJEB Cc1cc(/C=N/c2ccc(I)cc2)ccc1N1CCCC1 408859952 WALWRBVRQXPLHL-DEDYPNTBSA-N 390.268 4.950 30 40 GJEB COc1cccc([C@@H](C#N)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c1O 4551626 XCNCIUVPFOHMSZ-FCHUYYIVSA-N 383.451 4.817 30 40 GJEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 5164625 GENGHECEXOWBDS-UNOMPAQXSA-N 378.405 4.592 30 40 GJEB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/Nc1ccc(C(F)(F)F)cn1 6297382 PJZDIGMZCXPARL-YSURURNPSA-N 393.800 4.753 30 40 GJEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 17145661 YJFBAXUKMJINBK-JOCHJYFZSA-N 399.446 4.868 30 40 GJEB COc1cc2cc(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc2cc1OC 35312016 ZGKYTNZDUZECPM-UHFFFAOYSA-N 398.871 4.752 30 40 GJEB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2 100535646 UPMJTCVROVHQNY-BOPFTXTBSA-N 396.903 4.870 30 40 GJEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](O)(C#Cc4ccccc4)[C@H]3CC[C@H]12 253617406 LCZMXUQOODFQOP-FYHQAXHQSA-N 378.556 4.783 30 40 GJEB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\Sc2ccccc2C1=O 408999910 STNGYPGKOKPEAC-ODLFYWEKSA-N 377.425 4.727 30 40 GJEB Cc1ccc(/N=C\c2cccn2-c2cccc(C(=O)O)c2)c(Br)c1 409099260 KOISJRCVWGVRQF-MTJSOVHGSA-N 383.245 4.997 30 40 GJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 2066361 ONAWEHKNWZRGSC-NRFANRHFSA-N 397.515 4.643 30 40 GJEB CCc1ccc(C(=O)/C(=C(\S)Nc2ccc(C)cc2)[n+]2ccccc2)cc1 6394652 JAWNLGUCPRIKIU-UHFFFAOYSA-O 375.517 4.896 30 40 GJEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(Cl)c3)cc21 8959590 SKXWKHSSFQIGSD-UHFFFAOYSA-N 384.863 4.530 30 40 GJEB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)no2)cc1F 12062461 HEGGDOQCWMBXOU-UHFFFAOYSA-N 381.432 4.853 30 40 GJEB O=c1[nH]c(N/N=C/c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 17113165 YOUVNSNIWCDBLT-PCLIKHOPSA-N 384.483 4.641 30 40 GJEB COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)c1 19820641 YYHOIAIPESAVSO-UHFFFAOYSA-N 392.484 4.806 30 40 GJEB CC(C)c1ccc([C@H](NCC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 31069921 ARJUJIIKWADRBS-QFIPXVFZSA-N 395.572 4.893 30 40 GJEB C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)c1ccccc1 33661166 YRDLWNVFRKKCQJ-UHFFFAOYSA-N 393.512 4.635 30 40 GJEB Cc1ccc2c(c1)/C(=N/Nc1nc(-c3ccccc3)c3cc(C)ccc3n1)C(=O)N2 46085380 VZDHGPHAVOYELJ-UHFFFAOYSA-N 393.450 4.682 30 40 GJEB CCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 48312140 ZTFNNGAQDCQLQI-UHFFFAOYSA-N 394.862 4.665 30 40 GJEB O=[N+]([O-])c1ccc([C@@H]2CCCC/C2=N/Nc2cccc(Cl)n2)c([N+](=O)[O-])c1 100475132 PIMGVNZCKKSFDZ-SXPRPLFSSA-N 389.799 4.677 30 40 GJEB COc1cc(O)c(/C=N\c2ccc(N3CCCCC3)cc2)cc1Br 100933834 MULCNZLLLDJDGB-BKUYFWCQSA-N 389.293 4.904 30 40 GJEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219819850 OJWNGQBRFBYQEP-UHFFFAOYSA-N 399.903 4.940 30 40 GJEB COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccncc1 409311417 GKDRLJPGAPQYGR-BKUYFWCQSA-N 375.449 4.999 30 40 GJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 5505257 IASKZDIUWFCWHP-INIZCTEOSA-N 394.780 4.870 30 40 GJEB COc1ccc2[nH]cc(/C=N/Nc3ncnc4sc5c(c34)CCCC5)c2c1 5561900 BIVCINRNRKEOLG-YSURURNPSA-N 377.473 4.506 30 40 GJEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C/C(=O)c1cccc2ccccc12 8651668 XODISNQIEZBJJP-MHWRWJLKSA-N 393.786 4.532 30 40 GJEB COc1ccc(/C=C2\Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)cc1 12861183 SAEPMONPKMUKKF-QRVIBDJDSA-N 388.419 4.899 30 40 GJEB biogenic Cc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19959902 VLVUKXYHLHWURJ-VGOFRKELSA-N 388.471 4.719 30 40 GJEB C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1O 100547854 JGTUIAWDPWRSRL-QOMWVZHYSA-N 385.511 4.523 30 40 GJEB Cc1ccc(NC(=O)c2sc(/N=C/N(C)C)nc2-c2ccccc2)cc1C 100611138 BUCDVPWEVOYOFH-LPYMAVHISA-N 378.501 4.901 30 40 GJEB C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C=C(OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922946 CTTMENFEBDZXHA-WFGFEZODSA-N 396.527 4.941 30 40 GJEB C[C@H](C#N)Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 2637570 MBBDQECIICEOKG-GFCCVEGCSA-N 379.466 4.711 30 40 GJEB CCOc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10118733 BQEFKILPMZUZNF-SRZZPIQSSA-N 397.700 4.634 30 40 GJEB Cc1nnc(Oc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)c(C#N)c1C 12855706 WJBZMQAWFKVWSL-UHFFFAOYSA-N 399.406 4.965 30 40 GJEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1OC 14398019 MHFZBXQRNBXASC-UHFFFAOYSA-N 392.499 4.692 30 40 GJEB COC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C#N)c1C 16249635 XYQLGOHAFGHJEC-PKNBQFBNSA-N 392.436 4.627 30 40 GJEB COc1ccccc1[C@@H](C)NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 95468066 AEUSJIOESPEBJY-GFCCVEGCSA-N 394.418 4.555 30 40 GJEB C=CCOc1cccc(NC(=S)NCc2ccc(OCC)c(OCC)c2)c1 225529242 ZDIQEHALWDIKSY-UHFFFAOYSA-N 386.517 4.535 30 40 GJEB C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC 408773953 KGRMXHCTKQVMLZ-RNHBDSLOSA-N 394.540 4.976 30 40 GJEB C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cnccn1 2337267 DGSMWGJATFOXQM-UHFFFAOYSA-N 378.288 4.520 30 40 GJEB CC1=C[C@@H](c2ccc(Cl)cc2)N2N=C(/N=C(O)/C=C/c3ccccc3)NC2=N1 4548662 LJUXYCVYMFAEJM-NUCSPZLJSA-N 391.862 4.501 30 40 GJEB CCOc1ccc2c(c1)s/c(=N\N=C\c1cccc(Cl)c1Cl)n2C 4688453 JBNKWRTVQZUBDH-ZSNNVYISSA-N 380.300 4.880 30 40 GJEB CCCOc1ccc(/C=N/Nc2cc(Cl)nc(-c3ccccc3)n2)c(O)c1 4713175 ZYQDNNVIWOGBKX-LPYMAVHISA-N 382.851 4.737 30 40 GJEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1cccc(Cl)c1 12654347 KBZOBKPSXPVDDN-UHFFFAOYSA-N 382.851 4.919 30 40 GJEB COC(=O)c1ccc(CSc2cc(-c3ccc(OC)nc3)ccc2C#N)cc1 16227731 JUNFFIGKHZOCEN-UHFFFAOYSA-N 390.464 4.708 30 40 GJEB CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccs2)cc1 18222375 CUZCIZKXDZNJEI-IERDGZPVSA-N 390.512 4.879 30 40 GJEB C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCSc2c(F)cccc21 68884568 PIFZPGAPOYXJTG-LJQANCHMSA-N 381.476 4.632 30 40 GJEB COc1cccc(/N=C(\C)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c1 100370416 KPBRXLYKFQIDCA-PCLIKHOPSA-N 384.435 4.846 30 40 GJEB CCc1ccc(-c2n[nH]c(SCC[C@@](C#N)(C(C)=O)c3ccccc3)n2)cc1 1651637395 CRIHERFOKYOMKY-JOCHJYFZSA-N 390.512 4.567 30 40 GJEB COc1cc(/C=C/C(=O)OCc2ccc(Cl)c(Cl)c2)ccc1OCC#N 3352023 KBPOSBLQIUKALL-QPJJXVBHSA-N 392.238 4.661 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 8282388 WTTCFPGDLWYTSK-MRXNPFEDSA-N 378.497 4.563 30 40 GJEB COc1ccc(-n2cccc2/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1 34138444 ZOWLCKKQGGPNDZ-UYRXBGFRSA-N 393.443 4.517 30 40 GJEB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@@H]12 36614435 ODAGNZWITYICME-QFXJNPIBSA-N 376.500 4.547 30 40 GJEB N#Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)sc2c1CCC2 84502123 WWNMHRYOEWSLCY-QWHCGFSZSA-N 376.403 4.869 30 40 GJEB CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408719517 RMAYBIPERPRYPA-INIZCTEOSA-N 381.284 4.635 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c(C)c1 408911996 PIMYIYJBZXCUFE-ZMOGYAJESA-N 390.439 4.638 30 40 GJEB Cc1ccsc1/C=C1\SC(=Nc2ccc(Br)cc2)NC1=O 409001704 QPSYICAIMLPLNJ-JYRVWZFOSA-N 379.304 4.711 30 40 GJEB O=[N+]([O-])c1cccnc1N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409246039 CYYHFGCLGZUROB-CFRMEGHHSA-N 389.390 4.578 30 40 GJEB CCOC(=O)c1c(-c2ccccc2)nc(SCC)c(C#N)c1-c1ccncc1 988663 GFDFTYVEMYUBJL-UHFFFAOYSA-N 389.480 4.971 30 40 GJEB COc1cc(C(=O)/N=C(\c2ccccc2)c2ccc(C)cc2)cc(OC)c1OC 5258460 XDDWUFSYHSHOLB-YYDJUVGSSA-N 389.451 4.699 30 40 GJEB CCn1c(SCc2ccccc2C#N)nnc1-c1cc(Cl)ccc1OC 7604789 BNROLHPLBRHECZ-UHFFFAOYSA-N 384.892 4.791 30 40 GJEB C=CCc1cc(C(=O)NCCSCc2ccccc2Cl)ccc1OC 14397823 WMAFYXBIQGDSNZ-UHFFFAOYSA-N 375.921 4.740 30 40 GJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 18182783 YEGHCVNCILBLKS-IFMALSPDSA-N 385.463 4.737 30 40 GJEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2cc(F)c(Cl)cc2Cl)cs1 32853614 OTHJCVFEZKZBBR-SNAWJCMRSA-N 387.263 4.858 30 40 GJEB O=C(C1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O)c1ccccc1 32984130 CQTIFGBTBYOHGO-UHFFFAOYSA-N 395.867 4.990 30 40 GJEB C=CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 225720797 VMVFSFJJQZDNTG-GOSISDBHSA-N 386.517 4.706 30 40 GJEB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C#N)c1 225768453 BUNZSZLODWTMER-UHFFFAOYSA-N 378.472 4.806 30 40 GJEB COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(F)c1F 408629026 IMKZKGQFNRTWTC-SSDOTTSWSA-N 398.381 4.562 30 40 GJEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccccc1Cl 408754504 VNJDCQXZEYEMBO-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB F[C@@H](C(F)(F)F)C(F)(F)OCCCC(F)(F)C(F)(F)Br 1083807957 ILDGPBNSVRUCJG-BYPYZUCNSA-N 389.027 4.899 30 40 GJEB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(N)=O)n2)cc1 892501 IWANEOHNMXHQOK-UHFFFAOYSA-N 393.899 4.827 30 40 GJEB CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1 1354413 SNYWEEBASZKUBU-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1 4107792 HURZNAXISUQAGQ-GRFWKSNNSA-N 387.917 4.944 30 40 GJEB CC(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 4304305 GTXCKZKZCOMETL-ZRDIBKRKSA-N 376.368 4.709 30 40 GJEB COc1ccc(C(=O)/C(=C/c2ccco2)c2nc3ccccc3o2)cc1OC 9530698 VTYQKULRNXVFRR-SSZFMOIBSA-N 375.380 4.862 30 40 GJEB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 18197871 XRPWLXJJNIIMPS-YJYMSZOUSA-N 379.847 4.923 30 40 GJEB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1ccc(N2CCCC2=O)cc1 40139809 WLRHLCFLGVBEOS-OVCLIPMQSA-N 398.462 4.684 30 40 GJEB C[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 95471657 MUXARSJULIEDTL-CNOSZWPESA-N 391.471 4.833 30 40 GJEB C/C(O)=C1/C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1 101152705 VFLDLJYWTYHGHT-DDITZMBXSA-N 395.764 4.848 30 40 GJEB C=CCOc1ccc(NC(=S)NCCCSc2ccc(OC)cc2)cc1 225803722 RKHPDLGPPFTNBZ-UHFFFAOYSA-N 388.558 4.729 30 40 GJEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1C1CCCCC1 408741921 SPMNRIOHJHLZSR-UDWIEESQSA-N 385.424 4.873 30 40 GJEB COc1cccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 408801882 WJUKFMCPYCFMOI-SAHIIKMKSA-N 388.467 4.702 30 40 GJEB CCNC(=S)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409373398 RJMNFRJZWTWIAY-ZMOGYAJESA-N 397.931 4.890 30 40 GJEB CC(C)Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(F)cc1)CCCC3 2287248 LJDXFZOGHZBJOV-FSJBWODESA-N 383.492 4.557 30 40 GJEB C=CCOc1ccc([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCC2)cc1 5789344 DEPCAVXQAMQFAQ-SFHVURJKSA-N 385.489 4.693 30 40 GJEB COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O 5981605 ACYMVLDVMPGKND-XKZIYDEJSA-N 386.403 4.522 30 40 GJEB Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 8559207 DFEQCQJUIIRKLP-IERDGZPVSA-N 390.874 4.656 30 40 GJEB CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(Cl)s1 8749881 PYQKKEJGXYLCBH-UHFFFAOYSA-N 393.965 4.674 30 40 GJEB CCc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1 13680694 IDUFIOUOTKSXCD-NDENLUEZSA-N 380.440 4.586 30 40 GJEB C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N/c1ccc(/N=N/c2ccccc2)cc1 18058550 BXJXSDDSKGCEDO-OPWSVOQLSA-N 394.456 4.694 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2cccc(F)c2)cc1 19923508 MSXYMYLRLGJYNF-NRFANRHFSA-N 387.410 4.917 30 40 GJEB Cc1cnc(C(=O)N(C)/C(=N/c2ccc3ccccc3c2)c2ccccc2)cn1 48361635 PUDSNBGMFLGSDB-SLEBQGDGSA-N 380.451 4.789 30 40 GJEB OC1(CC#CCN2CCCC[C@H]2c2cccnc2)c2ccccc2-c2ccccc21 61991216 DVDDNXZOOKIHCE-SANMLTNESA-N 394.518 4.919 30 40 GJEB biogenic COc1cc(/C=C2/CSc3ccccc3C2=O)cc(OC)c1OC(F)F 96792539 KTLCREXVORTUAW-GHXNOFRVSA-N 378.396 4.677 30 40 GJEB CC1=NN(c2ncc(C(C)(C)C)s2)C(=O)/C1=N/Nc1ccc2ccccc2c1 101478023 KEUKECXMDWTIGK-HKOYGPOVSA-N 391.500 4.784 30 40 GJEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2F)c1 102801980 ZFMLLOQIIQSNPX-JBCNATCCSA-N 387.410 4.760 30 40 GJEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c2ccccc12 225917344 XNGFUULZFOUKAI-UHFFFAOYSA-N 393.439 4.688 30 40 GJEB CSC1=N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(C)=O)=C(C)N1c1ccccc1 408730171 FXODWQGGVNJDQH-IBGZPJMESA-N 381.457 4.738 30 40 GJEB COc1cccc(/C=N\Nc2ccccc2)c1OCc1ccc([N+](=O)[O-])cc1 409081042 FUOXTMFBHCMQLD-HMAPJEAMSA-N 377.400 4.628 30 40 GJEB CC(C)(C)[C@]1(C#N)C(=O)[C@@H]2[C@@H]3[C@H](CC[C@@H]21)C(=O)C3(c1ccccc1)c1ccccc1 607706720 OREHZVPSPLOUAD-KAWFJRQCSA-N 397.518 4.953 30 40 GJEB CCn1c(SCc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCCC3 2376881 MUCIQZMPUPBRKJ-UHFFFAOYSA-N 381.526 4.521 30 40 GJEB C/C(=N\Oc1cccc(O/N=C(\C)c2ccc(F)cc2)n1)c1ccc(F)cc1 4002268 SAIODXNSNOHAPA-LVSXPEEVSA-N 381.382 4.966 30 40 GJEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(-c3ccc(F)cc3)o2)NC(=O)N1 6053246 NBUWDJMTKZMXBE-FQEVSTJZSA-N 376.387 4.597 30 40 GJEB Cc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)c(C#N)c(C)c1C 7060313 KTWYRMSDLTUHBF-UHFFFAOYSA-N 380.300 4.916 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccccc1F 7656990 HQCRMJPIKBJWSQ-UHFFFAOYSA-N 391.423 4.888 30 40 GJEB C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N\c1ccc(/N=N/c2ccccc2)cc1 12564027 BXJXSDDSKGCEDO-ALWLADFFSA-N 394.456 4.694 30 40 GJEB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 59413094 LGMRONFKDFMSNK-CQSZACIVSA-N 388.558 4.880 30 40 GJEB COc1ccc(/N=C2\N=C(O)S\C2=C/c2c(C)nc3scc(C)n23)cc1 72401217 WHTCCIXLWVORNL-NVNXTCNLSA-N 384.486 4.753 30 40 GJEB COc1cc(/C=N\O)cc(Br)c1OCc1cccc2ccccc12 100250210 ONHVXIJWVJLDEQ-NHDPSOOVSA-N 386.245 4.998 30 40 GJEB CCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 100491733 NRQDIJMGRGMJSE-MZKRTTBSSA-N 382.609 4.808 30 40 GJEB COc1cc(OC)c(NC=C2C(=O)CC3(CCCCC3)CC2=O)cc1Cl 103840771 AKMHIDHMHBSWBO-UHFFFAOYSA-N 377.868 4.536 30 40 GJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226339912 JBRFTBSVWHBTPR-UHFFFAOYSA-N 397.627 4.611 30 40 GJEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c(F)cccc2Cl)S1 408863728 QJNIHFTVDJWRDR-SXGWCWSVSA-N 376.840 4.688 30 40 GJEB N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 409167285 IBBOKIRNFGLJTJ-VCBZYWHSSA-N 381.819 4.977 30 40 GJEB CCc1cc2c3c(c1)/C(=N\c1ccc4c(c1)OCCO4)C(=O)N3C(C)(C)C=C2C 12406271 AOCBGNNUCJUMDH-NJNXFGOHSA-N 388.467 4.683 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nc2sccc2c1=O 12766286 PUSGPFCFGFKHHN-CQSZACIVSA-N 384.526 4.624 30 40 GJEB C/C=C1\CN2CC[C@@]34C(=C(/C=N/Nc5ccccc5)[C@H]1C[C@H]23)Nc1ccccc14 55065579 OJZNJHNPLYYHOW-OZGPAATQSA-N 382.511 4.756 30 40 GJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)c(Br)c1 226333069 GYRHTNADLPGVNH-PKNBQFBNSA-N 385.257 4.526 30 40 GJEB CCn1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 1531385217 SBWDTMVCMSNTBP-WGOQTCKBSA-N 392.462 4.920 30 40 GJEB C[C@@H]1CCc2c(sc(/N=C/c3cc(Br)ccc3O)c2C#N)C1 799895 DVUARISVEFRCNJ-KTMXNEEYSA-N 375.291 4.963 30 40 GJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 2055500 IMQMIXKSJPTBJV-OAQYLSRUSA-N 397.515 4.643 30 40 GJEB CC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CC/C2=C\c1ccco1 6158656 RNCHVXKIMIGXQU-GXDHUFHOSA-N 376.437 4.974 30 40 GJEB CCCCCCCOc1ccc(C(=O)Oc2cc(=O)n3cccc(C)c3n2)cc1 101439831 GJOCYFQDXIIJEW-UHFFFAOYSA-N 394.471 4.571 30 40 GJEB C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1OC 408736419 RKZMYRPYSXNRLV-JLHGSKIFSA-N 377.440 4.785 30 40 GJEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ccc4ccccc4n3)cc2)nc1 408739088 SWTBNKRSTQVFTD-YDZHTSKRSA-N 385.383 4.776 30 40 GJEB Cc1cccnc1CN1CCCC[C@H]1c1csc(Nc2cc(C#N)ccn2)n1 585294814 KNZPRIRNODZHNG-IBGZPJMESA-N 390.516 4.584 30 40 GJEB COc1ccc(C=Nn2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1OC 1254789 JSYBABSHGMOFDE-UHFFFAOYSA-N 396.516 4.805 30 40 GJEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 6638761 QOYAFVMSJXLXOX-OCEACIFDSA-N 384.395 4.769 30 40 GJEB C(=N\N1CCN(/N=C/c2cccc3ccccc23)CC1)\c1cccc2ccccc12 8649342 MYWMQPDVLCZSLS-RIRMOVKSSA-N 392.506 4.979 30 40 GJEB Cc1ccc(-c2csc3nc(CNc4ccc(CC#N)cc4)[nH]c(=O)c23)s1 24832380 AMXKAHVIPFWBKI-UHFFFAOYSA-N 392.509 4.700 30 40 GJEB N#C[C@H](C(=O)c1cc(=O)c2ccccc2o1)c1nc(-c2ccc(F)cc2)cs1 32682268 UCELUCIJQDQZBV-OAHLLOKOSA-N 390.395 4.546 30 40 GJEB O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)/C(=N/O)S1 36633778 UPQOEVSSXPYRDC-AKKXKAEUSA-N 384.848 4.544 30 40 GJEB N#Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)sc2c1CCC2 84502120 WWNMHRYOEWSLCY-OLZOCXBDSA-N 376.403 4.869 30 40 GJEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1c(Cl)n(C)c2ccccc12 96026279 PEGZFFKZJWEGKG-MDZDMXLPSA-N 385.847 4.754 30 40 GJEB CCCCCCCC[S@@](=O)C[C@H](CO)[S@@](=O)CCCCCCCC 100952012 POEADAGXPOJBRC-WDJPJFJCSA-N 380.660 4.566 30 40 GJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2cccc([N+](=O)[O-])c2)c1C 408912282 DWBAGFQQKGKMSB-UUYOSTAYSA-N 377.400 4.760 30 40 GJEB Cc1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 409017741 VSECAILKAPUNQM-RGVLZGJSSA-N 399.794 4.702 30 40 GJEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc2ccccc2c1 4739626 MEGNBIYLGPUXFV-ZMOGYAJESA-N 385.427 4.997 30 40 GJEB C(=N/Nc1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 6566102 LYZVTZAYCIZXAQ-PCLIKHOPSA-N 396.450 4.757 30 40 GJEB COc1ccc(-c2csc(C3=C(N)N([C@H](C)CCCC(C)C)CC3=O)n2)cc1 13655455 LUVSTOVCVCGXJQ-OAHLLOKOSA-N 399.560 4.546 30 40 GJEB CC(C)(CC(=O)O)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 16481985 VDCJECMXLMVVPS-GFCCVEGCSA-N 376.522 4.600 30 40 GJEB C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccoc1C 19296878 AAFNQOKPXZTPRK-GFCCVEGCSA-N 399.501 4.997 30 40 GJEB Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)ccc1N1CCCC1=O 21597841 DBIXFSXOVNKVKV-UHFFFAOYSA-N 395.462 4.913 30 40 GJEB CCC/N=C(\C)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 100424495 KJZUNDGLSQXCFA-HYARGMPZSA-N 376.485 4.661 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1C(F)(F)F 409401575 BJSYXEGEANQRSV-UHFFFAOYSA-N 393.368 4.965 30 40 GJEB Cc1cc(SCC(=O)N(CCC#N)c2ccccc2)nc2c(C)cccc12 3427851 VYZDKIMXACPYOQ-UHFFFAOYSA-N 375.497 4.891 30 40 GJEB CCOc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 4739403 AXVQCDRZRNACPX-HYARGMPZSA-N 378.432 4.847 30 40 GJEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cccc(F)c1 12603742 PFIFZGKXEPEURT-OINPPHAGSA-N 390.281 4.531 30 40 GJEB O=S(=O)(Nc1cccc(F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13041298 FFFJBBRKLLZLMU-UHFFFAOYSA-N 387.276 4.664 30 40 GJEB O=C(C1=CN(c2ccccc2)c2ccccc2S1(=O)=O)c1ccc(Cl)cc1 32984217 BZAKFECQHCFJBQ-UHFFFAOYSA-N 395.867 4.990 30 40 GJEB COc1ccc(C(=O)/C=C/Nc2ccc(C)cc2Br)cc1OC 44843748 WJXIRFBRLRYHRZ-CMDGGOBGSA-N 376.250 4.583 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(-c3ccccc3)nc(=O)c1[C@H]2c1ccccc1 44974084 RLGMLJGIRZZTJT-IBGZPJMESA-N 397.478 4.638 30 40 GJEB COc1cc(/C=C2/CCc3c(C)cc(C)cc3C2=O)cc(Br)c1O 95950276 OIVNNLQYBDZTNU-ZSOIEALJSA-N 387.273 4.993 30 40 GJEB CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916063 FCJZEZIAZQLHTC-RFPGKFGOSA-N 394.559 4.789 30 40 GJEB Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1C#N 408811192 KPPXHLKQSVHOMK-JAIQZWGSSA-N 387.464 4.536 30 40 GJEB COCCCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 408932423 WXZRDCQJZLQBDC-JHRGVAJVSA-N 386.904 4.981 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409007788 RMMIBYXPFXSULG-HKWRFOASSA-N 395.480 4.539 30 40 GJEB CC(=O)O[C@H]1C[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C(C)=O 409421761 YWCAMUNPTULUPQ-SFFLLHOWSA-N 386.532 4.511 30 40 GJEB CC/N=C1\S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1CC 1101014 LCAVNBGVMORNAJ-QFGKFHJGSA-N 384.476 4.717 30 40 GJEB C[N+]1(CC#CCC2(O)c3ccccc3-c3ccccc32)CC[C@@H](c2ccccc2)C1 1804490 UNBTXRCODKXEEN-WIZGVZBGSA-N 394.538 4.931 30 40 GJEB COc1ccccc1/C=C/C=N/n1cnc2scc(-c3ccccc3)c2c1=O 3280745 XGOIUSPKRARKGL-ZHBAQDKBSA-N 387.464 4.681 30 40 GJEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 5252497 CVOXLDYCLVLPPT-FBVSVWLOSA-N 393.222 4.550 30 40 GJEB Cc1nc2c(cc1C#N)[C@@H](Nc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1-2 5552150 DAHDDFCIAFXETP-FQEVSTJZSA-N 392.802 4.993 30 40 GJEB in-vivo C=C(C)COc1cc(C)c2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O 6623966 JYDPSHYDFKQYTG-LSCVHKIXSA-N 396.439 4.592 30 40 GJEB biogenic Cn1ccnc1Sc1ccc(/C=C2/CCc3ccccc3C2=O)cc1[N+](=O)[O-] 33616155 BHTHUZDCQYCEHJ-VBKFSLOCSA-N 391.452 4.692 30 40 GJEB N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1ccccc1Cl)N1CCCC1 35672644 ZCFBOAFESWWNSR-LJQANCHMSA-N 393.878 4.511 30 40 GJEB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)S/C(=N\c2ccccc2)N1Cc1ccco1 111506762 WWZZVWSYOAIFMC-CMLHKUKGSA-N 395.396 4.585 30 40 GJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 226334210 RIBCNFGIDRHTSU-XBXARRHUSA-N 379.214 4.901 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC 408761407 JWUKAAGYKUWXAN-ZHZULCJRSA-N 394.496 4.714 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1 408909171 FJTLMCMNWIZJBM-BKUYFWCQSA-N 392.371 4.528 30 40 GJEB CC(=O)Nc1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1 408911632 AIJRMDOGUNTBQJ-FSJBWODESA-N 375.428 4.532 30 40 GJEB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1cccc(C#N)c1 3351306 HNMMUQBTXKITHL-VIFPVBQESA-N 385.798 4.745 30 40 GJEB CC(=O)[C@@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]12C 4027539 ZNSPUNVBZGKQFL-TZSHPLFISA-N 386.576 4.897 30 40 GJEB biogenic COc1ccc2oc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 4822347 SEMVLAIPCWLPDN-UHFFFAOYSA-N 387.370 4.766 30 40 GJEB COCCN1Cc2cc3cc(C)ccc3nc2S/C1=N/c1ccccc1OC 4858683 HZIWZQIAYFJYAO-ZNTNEXAZSA-N 393.512 4.794 30 40 GJEB C=CCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(CC)CC)cc1 5844418 UBBVOVYTYLSYTE-GOSISDBHSA-N 387.505 4.527 30 40 GJEB COc1ccc(C(=O)/C(=C(\S)Nc2cccc(C)c2)[n+]2cccc(C)c2)cc1 6401351 JWLWVRVIICUQTR-UHFFFAOYSA-O 391.516 4.650 30 40 GJEB Cc1c(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cnn1C 17077042 NZSLOBGOEKKDIY-CUDADEKJSA-N 376.500 4.553 30 40 GJEB COCCN1C(=O)/C(=C/c2ccc(OC(C)C)cc2)S/C1=N\c1ccccc1 18045204 YSWKOANNBSQMLX-BLFRMDKKSA-N 396.512 4.724 30 40 GJEB O=C1/C(=C\c2ccc(O)cc2)S/C(=N/c2ccccc2)N1Cc1ccco1 18246980 IDLTVWNJYIPTEI-HNPUNDFXSA-N 376.437 4.789 30 40 GJEB Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3c(F)cccc3Cl)c12 20533234 MQKKEWNNPXWDGS-UHFFFAOYSA-N 377.810 4.642 30 40 GJEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 35793407 IUZMOWYUQONABJ-QFIPXVFZSA-N 386.495 4.929 30 40 GJEB COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)c(C)c1 59105078 OUPMAJUWROZBMB-FSJBWODESA-N 377.396 4.799 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(OC)c1 102800950 OKZZSGZRRNTJTQ-MRJHHRETSA-N 393.483 4.697 30 40 GJEB Cc1ccc(CSc2nc(N)c(C#N)c(Cc3ccccc3Cl)n2)cc1 223667088 USSKKOCWKDZXHC-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224930418 KMXMSBGCZKFQNJ-UHFFFAOYSA-N 386.300 4.773 30 40 GJEB CSC1=N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(C)=O)=C(C)N1c1ccccc1 408731295 LOIKKAVRPFDJGY-IBGZPJMESA-N 381.457 4.738 30 40 GJEB COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc(Br)c1 409102009 ULKINPZODMGVKV-FYJGNVAPSA-N 389.293 4.817 30 40 GJEB Cc1c(/N=C/c2ccc(Sc3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 3663734 MONMAPCPEWMIRM-HZHRSRAPSA-N 389.480 4.979 30 40 GJEB Cc1cccc(C(=O)Oc2ccc(/C=N/Nc3ccccc3)cc2[N+](=O)[O-])c1 4411909 NWJGHGFUVNOIBW-HYARGMPZSA-N 375.384 4.568 30 40 GJEB C=C(C)[C@@H]1CC=C[C@@H](COc2ccc3ccc(=O)oc3c2)[C@@]1(C)CCC(=O)O 5382898 UKEZTZMPUHUTIW-WCAVRKLYSA-N 382.456 4.811 30 40 GJEB biogenic N#C[C@H](C(=N/O)/C(=N\O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 8653134 SAYXXJMIMHHQDN-BMDLJMCGSA-N 387.226 4.568 30 40 GJEB N#Cc1c(N)nc2c(-c3ccc(Cl)cc3)cnn2c1-c1ccc(Cl)cc1 15085307 IGSIQMRAUWRJKX-UHFFFAOYSA-N 380.238 4.824 30 40 GJEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 17180903 QAYDGLVIHSWMJY-KXKTWFEWSA-N 381.431 4.869 30 40 GJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Br)cc1 36353475 IEHSISZSMZQMNG-AWEZNQCLSA-N 393.244 4.630 30 40 GJEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 51366879 PDIBVUAPZXPGBQ-KVDJPTQJSA-N 383.492 4.687 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(F)cc1 102642482 XHHCATJIMFTGOB-YDJIHCHBSA-N 391.373 4.591 30 40 GJEB Cc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1[N+](=O)[O-] 408930805 CHZPZOQQNUZEQO-HZHRSRAPSA-N 391.427 4.750 30 40 GJEB CCN/C(S)=N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1968945 BOXPIJWIGVBOND-UFFVCSGVSA-N 382.316 4.802 30 40 GJEB N#Cc1ccc(-c2cccnc2)nc1SCc1cc2c(cc1Cl)OCO2 2199556 SZPPVNVSEWQJFS-UHFFFAOYSA-N 381.844 4.690 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 4189135 SFSJUPHOHNFSES-UOXRKKOCSA-N 396.874 4.571 30 40 GJEB CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 4413750 MSTNDOSNWIVCBJ-JOCHJYFZSA-N 390.483 4.682 30 40 GJEB N#Cc1c(NC(=S)NC(=O)c2cccc3ccccc23)sc2c1CCCC2 4662626 VBIMWIMFQRDXDX-UHFFFAOYSA-N 391.521 4.779 30 40 GJEB C=CCO/N=C1\C[C@@H](C[C@@H](C)SCC)CC(=O)[C@H]1/C(CCC)=N/OCC 5417212 WIZFOFCVSLIKJU-IYOMDVLZSA-N 382.570 4.865 30 40 GJEB COc1cccc(/C=N/n2c(NCc3ccccc3)nc3ccccc32)c1OC 8985554 JZBHBEGXHNXAER-PCLIKHOPSA-N 386.455 4.548 30 40 GJEB CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3ccc(Cl)cc32)cc1 46084724 WUBIZOVMIBZBQR-NMWGTECJSA-N 386.879 4.632 30 40 GJEB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 72305032 BLILEXZWJJKGLN-SFTDATJTSA-N 379.460 4.654 30 40 GJEB CCOC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408962303 YJPWJVWXKZSMQS-YDZHTSKRSA-N 377.396 4.881 30 40 GJEB CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O 5093489 VGVHIICSNWUOKN-NAZSODNNSA-N 395.528 4.720 30 40 GJEB COc1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC#N 6441232 YRNUPGQKAGDQMK-SSDVNMTOSA-N 398.875 4.820 30 40 GJEB CCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC 59427977 RAZQSSYSIICMJT-UHFFFAOYSA-N 382.456 4.612 30 40 GJEB CCCC/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CCCC 100918872 JQYGCAWMPJWBFE-YGCDDZCOSA-N 395.956 4.569 30 40 GJEB C=CCOc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 205668331 KUNJOXXCMAUXDH-KOEQRZSOSA-N 381.435 4.511 30 40 GJEB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1 225775200 JHDKDFLQIPGROL-UHFFFAOYSA-N 396.462 4.563 30 40 GJEB COc1ccccc1/N=C/c1cccc(OC)c1OCc1ccc(C(=O)O)cc1 409188258 XWVITUTXSBQIQL-ZVHZXABRSA-N 391.423 4.732 30 40 GJEB CC1(C)Cc2ccccc2/C(=N\N=C(\C(=O)c2ccccc2)c2ccccc2)N1 2190668 XMMLUHXIYDUWKN-HPNDGRJYSA-N 381.479 4.645 30 40 GJEB Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 3495336 KWFJZGMPJOYNPU-UHFFFAOYSA-N 396.541 4.656 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(CC)cc2)nc2ccccc2c1=O 12780527 ZAIKESKXSDZQTO-HNNXBMFYSA-N 378.497 4.508 30 40 GJEB CC(=O)c1cc2c(cc1N/C=C\C(=O)c1cc(Cl)ccc1Cl)OCO2 16321897 GIRPZTNDCKYDIE-PLNGDYQASA-N 378.211 4.733 30 40 GJEB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cn3ccccc3c2C#N)cc1 23074820 SEPAPJTWYODOQL-UHFFFAOYSA-N 399.406 4.974 30 40 GJEB Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 101662205 PVJUAXDPTNJOTK-MLPAPPSSSA-N 377.183 4.555 30 40 GJEB O=[N+]([O-])c1cc(/N=C/c2ccccc2I)ccc1Cl 408551563 NPUMXRSWRCXUDS-LZYBPNLTSA-N 386.576 4.603 30 40 GJEB COc1cc(/C=N\c2ccccc2F)ccc1OCc1cccc(C(=O)O)c1 408806177 ACQLDWKHPIQJPU-CFRMEGHHSA-N 379.387 4.862 30 40 GJEB C/N=C1/S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1C 408930174 SVXRJTCKOVBVGM-IZSQXYTLSA-N 388.492 4.951 30 40 GJEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(C)C)cc1 4047993 MTBQRBCURYQMTM-FSJBWODESA-N 377.448 4.967 30 40 GJEB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2 4868145 SEFSKCZQMOPZBM-FQEVSTJZSA-N 390.874 4.794 30 40 GJEB CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 6396824 AWYFUVLBTHTKOU-RGVLZGJSSA-N 375.812 4.833 30 40 GJEB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ccccc1C#N 7242439 AWPPWJHJBDEIRY-UHFFFAOYSA-N 377.469 4.505 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Oc1c(c(=O)[nH]c3ccccc13)[C@H]2c1ccc(F)cc1 9926828 PFIBQQIXUHEEGJ-IBGZPJMESA-N 389.426 4.835 30 40 GJEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cnn(CC)c1 36631372 CHSRXRUGVRNANG-UHFFFAOYSA-N 394.331 4.947 30 40 GJEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2C3=C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 263609795 VLQLBBGNUJQREB-MGXPNDFJSA-N 384.516 4.575 30 40 GJEB Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)c3ccccc3C2=O)o1 409391248 IHYGBITZXKOMTF-UHFFFAOYSA-N 380.403 4.903 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 1888145 YIURHSXXTMZNHF-UHFFFAOYSA-N 398.553 4.885 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1 5551367 WPMURFOEVBYIOC-AQTBWJFISA-N 381.457 4.829 30 40 GJEB Cc1ccc(/N=C2\C(=O)N(CN3CCC[C@@H](C)C3)c3ccccc32)cc1Cl 13714743 KGFMZLCDBSQSGV-MQUBGCMGSA-N 381.907 4.805 30 40 GJEB Cc1c(C#N)c(N)nc2c3c(sc12)NC1=C(C(=O)CCC1)[C@H]3c1cccs1 20267514 PCVVQIKPUHKWKE-OAHLLOKOSA-N 392.509 4.685 30 40 GJEB CC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681710 RRFHTSQSIQEIHY-UHFFFAOYSA-N 376.112 4.704 30 40 GJEB C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccccc1 107602929 LDBLUZYUVQCFIS-UHFFFAOYSA-N 399.903 4.672 30 40 GJEB COc1ccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)c(OC)c1 408722424 IRBMZWRXYZJEBR-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB C#CCOc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Cl 409065795 NIQDIHURRNMDDR-LIMNOBDPSA-N 388.176 4.865 30 40 GJEB COc1cccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(C)o3)cs2)c1 12905200 HLFDKLHEDDRHEA-CMDGGOBGSA-N 382.441 4.634 30 40 GJEB COc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccn2)cc1 12954464 ZFHOIJKCYHCWHT-QGDWSKEDSA-N 386.451 4.763 30 40 GJEB S=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1ccccc1 16489797 MQXYNLBUTPOHEI-MOSHPQCFSA-N 399.317 4.560 30 40 GJEB C[C@@H](NC/C(O)=N/c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 32819871 FETPKXDUWUBGAU-LLVKDONJSA-N 391.258 4.982 30 40 GJEB COC(=O)c1ccc(/C=C2/S/C(=N/c3cccc4ccccc34)NC2=O)cc1 35647230 JXDSUEYAEUQYIY-CPNJWEJPSA-N 388.448 4.518 30 40 GJEB O=C1NC(=Nc2ccccc2Br)S/C1=C/c1cccc(Cl)c1 408749065 KWKURNQILMCLJH-NTEUORMPSA-N 393.693 4.994 30 40 GJEB CC(C)c1cc(N2CCN(c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 1473003 KPPNESARGBUOJP-UHFFFAOYSA-N 395.510 4.809 30 40 GJEB N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccc(Br)cc2)c1N 3115884 MPUVLRPFSUICQS-UHFFFAOYSA-N 398.285 4.939 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@H]2c1ccc(F)cc1 4180971 TYVNSZIKYLFXLE-FQEVSTJZSA-N 388.446 4.742 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)nn1[C@@H]2c1ccc(F)cc1 4180973 TYVNSZIKYLFXLE-HXUWFJFHSA-N 388.446 4.742 30 40 GJEB C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1ccccc1 8185697 MIWXTLIXKIVAAP-OAHLLOKOSA-N 397.475 4.546 30 40 GJEB Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CCC1)[C@H](c1ccc(N(C)C)cc1)N2 16266250 AVLQSVGXEDVPDQ-DEOSSOPVSA-N 398.510 4.920 30 40 GJEB N#Cc1c(NC(=O)CCCc2nc(-c3ccccc3)no2)sc2c1CCCC2 33000064 JSCZVXYKOMCNNE-UHFFFAOYSA-N 392.484 4.510 30 40 GJEB N#Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc(Cl)cc1)OCCO3 35289045 QAPUINWGAYQBQL-UHFFFAOYSA-N 396.855 4.506 30 40 GJEB CN(C)/C=C(/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 100255099 AQVVFEVSLOCATA-KZGCUNNXSA-N 392.286 4.580 30 40 GJEB CC(C)(C)OC(=O)[C@@H](C#N)C(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 255187194 BVJMZBGTVDVEOP-QMMMGPOBSA-N 382.165 4.676 30 40 GJEB CCOc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(OCC)c1 408966256 OHHQOZLAPGWKLJ-WOJGMQOQSA-N 386.448 4.515 30 40 GJEB C#CCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 409076896 CGWKWICZCVCARI-PTGBLXJZSA-N 378.431 4.533 30 40 GJEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1cccc2ccccc12 409136538 XFCSXILUDLLYIS-PDGQHHTCSA-N 392.867 4.894 30 40 GJEB CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@H]2c1ccccc1[N+](=O)[O-] 1639278 ZDMMMRPYILRBGC-LJQANCHMSA-N 395.455 4.995 30 40 GJEB C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cccnc1 10196267 FPTHSVOIDBASMD-UHFFFAOYSA-N 387.306 4.581 30 40 GJEB N#Cc1ccc(/C=N/n2c(-c3ccco3)cs/c2=N\Cc2ccccc2)cc1 12566240 POWOERGBFJABEA-AGDZFYKKSA-N 384.464 4.664 30 40 GJEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 16741709 AJCWFRCWLCNXHN-HXUWFJFHSA-N 393.483 4.639 30 40 GJEB COc1cccc(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c1 26128771 ISRDVAKIDFJVLI-KRWDZBQOSA-N 380.494 4.787 30 40 GJEB Cc1ccc(-c2nc(N/N=C3/C(=O)Nc4ccc(C)cc43)nc3ccccc23)cc1 46085403 SYPFEXCHWMJWCT-UHFFFAOYSA-N 393.450 4.682 30 40 GJEB C[C@@H]1CN(Cc2ccccc2F)CCN1Cc1cccc(C#Cc2ccccc2)c1 57731497 KLNIQNDJPYMJFC-JOCHJYFZSA-N 398.525 4.932 30 40 GJEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1OC 135988852 UBDLHBZLHLRUBH-NFYBBCHUSA-N 382.485 4.636 30 40 GJEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OC(C)C 409094533 DOZMHPMUOTUOFS-LIMNOBDPSA-N 387.789 4.996 30 40 GJEB CN(C)c1ccc(C(C#N)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 5124962 SPTOONCAHFZDNU-UHFFFAOYSA-N 398.554 4.743 30 40 GJEB C=CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1C1CCCCC1 7778946 VXKJAPBOQNMMOV-MRXNPFEDSA-N 396.560 4.582 30 40 GJEB C/C(=N\c1ccc2c(c1)C(=O)[C@@H]1C=CC=C[C@@H]1C2=O)c1cc2ccccc2oc1=O 13407049 QNXZAMGUPFACBX-CYNFWEFXSA-N 395.414 4.671 30 40 GJEB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 19535843 CXGRZRMEPWGAQH-FQEVSTJZSA-N 385.891 4.794 30 40 GJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Br)c2)cc1 40287064 JAEZHFBIOOOEMP-INIZCTEOSA-N 393.244 4.630 30 40 GJEB Oc1ccc(NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103597970 ZGXGZSIRMIPYRL-UHFFFAOYSA-N 391.180 4.908 30 40 GJEB C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225114522 CPEWSEYERIIFLO-UHFFFAOYSA-N 390.263 4.522 30 40 GJEB C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cccc1OC 408908539 FQWKNLJYWDJETG-XGHAMVSDSA-N 394.496 4.802 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1cccc(F)c1 409091613 QLJILTKTFQKUOE-NDENLUEZSA-N 395.430 4.848 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(F)cc1 2362545 KZRHQAYZXVYILT-UHFFFAOYSA-N 396.491 4.563 30 40 GJEB CC[C@H](c1nnc(SCc2ccc(C#N)cc2)n1Cc1ccccc1)N(C)C 3552630 IUZLTVGEJYZAEV-HXUWFJFHSA-N 391.544 4.503 30 40 GJEB Cc1cc(N/N=C/c2ccc(Br)cc2)nc(NCc2ccccc2)n1 4837219 MGKKDRBLKNRHEE-LPYMAVHISA-N 396.292 4.606 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 8282389 WTTCFPGDLWYTSK-INIZCTEOSA-N 378.497 4.563 30 40 GJEB O=C1/C(=N\O)c2ccc(Cl)c(Cl)c2N1CCCOc1ccccc1Cl 46084904 RMYSZPKKIHOCSM-QNGOZBTKSA-N 399.661 4.641 30 40 GJEB OC1(CC#CCN2CCCC[C@@H]2c2cccnc2)c2ccccc2-c2ccccc21 61991215 DVDDNXZOOKIHCE-AREMUKBSSA-N 394.518 4.919 30 40 GJEB biogenic CC/C(C)=N\N=c1/[nH]c2cc(C)c(NC(=O)c3ccc(OC)cc3)c(C)c2s1 72228696 URCCZAAZVNPXJP-CFRMEGHHSA-N 396.516 4.794 30 40 GJEB N#Cc1ccc(-c2cccc(CNC(=O)C[C@@H]3OCCc4ccsc43)c2)s1 95399663 YYCPXDUUGXYNCN-SFHVURJKSA-N 394.521 4.669 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102604087 HIRCYUDYNXKCEM-YDJIHCHBSA-N 389.838 4.966 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 225685556 WBCXNWQOPDMCGV-UHFFFAOYSA-N 382.847 4.587 30 40 GJEB CC(C)[C@](C)(C#N)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2639239 JXNUDADHABZFCC-FQEVSTJZSA-N 396.541 4.505 30 40 GJEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccc(C)cc1C 4978400 SDYMOGTYULAKBQ-LYBHJNIJSA-N 389.484 4.618 30 40 GJEB COc1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1OC 7995291 AXOJIPZFIFAKSG-UHFFFAOYSA-N 392.484 4.806 30 40 GJEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O 9482345 LRMXAJVROISJAJ-ZDLGFXPLSA-N 386.831 4.677 30 40 GJEB N#Cc1cccc(COc2cccc(/C=N/NCc3ccc(Cl)cc3)c2)c1 10119038 DKBCGXFWHJKNBE-CVKSISIWSA-N 375.859 4.914 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc([N+](=O)[O-])cc1)OCO3 18197438 YKWFNPORINUKKA-HXUWFJFHSA-N 392.411 4.524 30 40 GJEB COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)=C2 67665032 OAHKHCMAZTUDRX-UHFFFAOYSA-N 377.484 4.586 30 40 GJEB in-vitro C=CCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1 408818549 XEAZERYFPVQHCU-UHFFFAOYSA-N 385.896 4.976 30 40 GJEB COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 409041098 IHQSXAVLTJVARM-UHFFFAOYSA-N 392.282 4.703 30 40 GJEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1Cl 1457721 FHZZHPHDGIXIOR-CCMJGWDWSA-N 396.874 4.571 30 40 GJEB N#Cc1c(SCc2ccc(Cl)c(Cl)c2)sc2c(O)cc(=O)[nH]c12 4945398 ORQBPCHHOODGTO-UHFFFAOYSA-N 383.281 4.766 30 40 GJEB C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 5024423 ZUUFPGJUQULGLZ-STZFKDTASA-N 392.728 4.649 30 40 GJEB OC(C/C(Cc1ccccc1)=N\Nc1ccccc1)(C(F)(F)F)C(F)(F)F 5065297 OAHPSSAZMQFCQH-YSMPRRRNSA-N 390.327 4.943 30 40 GJEB C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1cccs1 5395117 AVDKUAXIPLBDCU-KGENOOAVSA-N 387.472 4.866 30 40 GJEB Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 20718695 AYULTZNXYWISKY-ORAYPTAESA-N 378.453 4.708 30 40 GJEB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3C#N)cccc2c1=O 68233073 GBJWKTAUPGUMOK-UHFFFAOYSA-N 380.403 4.892 30 40 GJEB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 72305031 BLILEXZWJJKGLN-LEWJYISDSA-N 379.460 4.654 30 40 GJEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(I)cc1)C2 100261696 FROGBKVYYFNXES-PXAZEXFGSA-N 381.257 4.612 30 40 GJEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 102798865 HMLMZJYYJAOSSB-HOGKFDNTSA-N 399.446 4.712 30 40 GJEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 408750388 MEVNZAUGCREEII-YVNNLAQVSA-N 399.838 4.505 30 40 GJEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c(C)[nH]c3ccccc23)S1 408855777 DOIMWOIIJUSWEI-ODLFYWEKSA-N 377.469 4.685 30 40 GJEB O=C(Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1)c1ccco1 910262 QOFJUTUMRWXYSE-KEBDBYFISA-N 385.763 4.550 30 40 GJEB CC(C)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 3178352 PZJIXHHKENRMBJ-UHFFFAOYSA-N 375.497 4.650 30 40 GJEB COc1ccc2c(c1)/C(=N\OC(=O)c1cc(SC)ccc1Cl)CCC2 4459142 PUQWBCBVPAPFOD-UZYVYHOESA-N 375.877 4.968 30 40 GJEB O=[N+]([O-])c1cccc(-c2csc(N/N=C\c3c(F)cccc3Cl)n2)c1 4860577 GFWQPGMGAGMUEM-UWVJOHFNSA-N 376.800 4.957 30 40 GJEB CCOc1cc(/C=N/Nc2ccc(Cl)cc2)cc(Br)c1OC 5673245 HQCKAPSXJDQNTM-VXLYETTFSA-N 383.673 4.956 30 40 GJEB N#Cc1c(NC(=O)Cc2csc(-c3ccccc3)n2)sc2c1CCCC2 7995722 RJPGLVILIOKUGU-UHFFFAOYSA-N 379.510 4.803 30 40 GJEB CO/N=C(/C[S@](=O)Cc1ccccc1Cl)c1ccc(Cl)cc1Cl 8578599 FLMXZANYTZJQBV-OWFGXHLJSA-N 390.719 4.946 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cc(Cl)c(O[C@@H](C)CC)c(OCC)c2)C1=O 15012951 DVSNPPMNRZRWIS-IEMQHYRPSA-N 393.892 4.586 30 40 GJEB CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366041 NWFHFVVSRPURLP-BDTNDASRSA-N 399.469 4.968 30 40 GJEB CCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1O[C@H]1c1ccccc1 36532943 NCQXLXKULSCVPF-XNPZYESASA-N 384.392 4.601 30 40 GJEB N#CCCOC[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100929352 GJIOBJXBJWRYBP-JUWDTYFHSA-N 383.917 4.768 30 40 GJEB O=C(COc1ccc(/C=N/Nc2ccccc2)cc1Cl)Nc1ccccc1F 107866015 IKCKODBDHWNCNO-ZMOGYAJESA-N 397.837 4.943 30 40 GJEB N#C[C@H](C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1nc2ccccc2[nH]1 2318314 OVQADOZSWCWWKQ-LLVKDONJSA-N 396.815 4.829 30 40 GJEB O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 5278439 NJRLSEMUTSTBAJ-QDOYKEIESA-N 398.414 4.930 30 40 GJEB Cc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(Cl)cc1 16995311 AIWYHPFASDKEOY-VFNWGFHPSA-N 390.874 4.656 30 40 GJEB Cc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C#N)cc1 17077792 IXHRKUFRUZESTP-HOTGVXAUSA-N 380.469 4.509 30 40 GJEB CC(C)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20060644 HRJWPPQOSSRTMX-OEAKJJBVSA-N 379.485 4.756 30 40 GJEB CC(C)c1ccc(-c2c(C#N)c(N)nc(S[C@@H]3CCCCC3=O)c2C#N)cc1 20507079 GBHRGASLVFVWCF-LJQANCHMSA-N 390.512 4.801 30 40 GJEB O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 22346106 DYBHNOQQKPOCJQ-FMQUCBEESA-N 390.311 4.561 30 40 GJEB Cc1ccc(NC(=O)COc2ccccc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 409223484 HYWAQSXIKQWHCV-OEAKJJBVSA-N 389.411 4.671 30 40 GJEB C=CCn1c(SCc2c(F)cccc2Cl)nc(C(F)(F)F)cc1=O 1403056 FGBZNYKMYNDVQU-UHFFFAOYSA-N 378.778 4.533 30 40 GJEB CC1(C)CN(c2ccc([C@@H](C#N)/C=N/OCc3ccc(F)cc3Cl)cc2)C1=O 4042194 QSOBUNJULXTAMT-HDDDNDSPSA-N 399.853 4.662 30 40 GJEB CCc1ccccc1N(C(C)=O)c1nc(COC(=O)C2(C#N)CCCC2)cs1 12796483 NJAGFQJQOOKWIU-UHFFFAOYSA-N 397.500 4.517 30 40 GJEB C=CCOc1ccc2ccccc2c1/C=N/NCc1ccc(OC)c(OC)c1 20196583 HVVUGHBJIJHJDA-PCLIKHOPSA-N 376.456 4.546 30 40 GJEB COC(=O)/C(=C\Nc1ccc(F)cc1)C(=O)c1cc(F)c(Cl)cc1Cl 100049121 ITTYJZXFEJHLTL-WQLSENKSSA-N 386.181 4.623 30 40 GJEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916079 LNURYWGKYJSNOL-NBVALVCESA-N 396.575 4.869 30 40 GJEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1Cl 247703145 BDTCNFUDUFOGAU-IBGZPJMESA-N 390.826 4.946 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3O)S2)cc1 408765693 NHGGGKMBDRRJAG-MOSHPQCFSA-N 395.528 4.692 30 40 GJEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@]2(C)CC2(F)F)cc1 596715118 ZNSDTZTYYCHHLC-LJQANCHMSA-N 387.386 4.526 30 40 GJEB C=CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O 4386003 DIDYVJAIFFZGRT-NRFANRHFSA-N 381.479 4.740 30 40 GJEB Cc1ccccc1-n1c(S[C@@H](C#N)Cc2ccccc2)nnc1-c1ccncc1 6578616 SNKNWLLMFNBGIQ-HXUWFJFHSA-N 397.507 4.865 30 40 GJEB C=CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)Cc2ccco2)cc1 9204883 QLQFNSLSZCZXIY-UHFFFAOYSA-N 377.440 4.696 30 40 GJEB COc1cc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 13135330 HWJZUYOINXZYHC-VOTSOKGWSA-N 381.306 4.527 30 40 GJEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1 17945719 QTMXCZCRGVTYQT-NPMXOYFQSA-N 388.423 4.793 30 40 GJEB C=C(/C=C\C(O)=C/C)[C@H]1c2c(-c3cccc(OC)c3)n[nH]c2C(=O)N1CCC 36619611 JUWLWBWKBBFMQX-UEWGBZHPSA-N 379.460 4.566 30 40 GJEB Cc1sc(C(=O)[C@@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 41549580 LNHWAGKSNWVANL-QMMMGPOBSA-N 389.742 4.522 30 40 GJEB CCOC(=O)CCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 100010491 VMDBHEUZCAPPJK-UFFVCSGVSA-N 382.243 4.651 30 40 GJEB Ic1cccc(/N=C\c2ccc(N3CCCC3)cc2)c1 408959834 GQMLVKLTHBZCLO-UYRXBGFRSA-N 376.241 4.642 30 40 GJEB COc1ccc(N2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)cc1Cl 409332926 SVOZXBRKUIALAT-LZYBPNLTSA-N 386.885 4.626 30 40 GJEB CCOc1ccccc1/N=C\c1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1 409384475 CQSNVQWCOUYIIC-QRVIBDJDSA-N 395.411 4.715 30 40 GJEB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)C1 2745301 JFQWTMQSIHKKGC-VIFPVBQESA-N 379.279 4.742 30 40 GJEB C[C@H](Oc1ccc2ccccc2c1Br)C(=O)Nc1ccccc1C#N 5347015 GAKFDLBXNDUKAR-ZDUSSCGKSA-N 395.256 4.880 30 40 GJEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1 5551121 IYHPQKSWNZGKSL-WJDWOHSUSA-N 387.302 4.903 30 40 GJEB C#CCOc1c(Br)cc(CNc2ccccc2Cl)cc1OC 8110591 CGSNVECQFFCZQP-UHFFFAOYSA-N 380.669 4.735 30 40 GJEB C[C@H](NC(=O)COc1ccc(/C=N\c2ccc(F)cc2)cc1)c1ccccc1 100093562 OWHPQVCUCWDWCK-HAWKZNDISA-N 376.431 4.833 30 40 GJEB C#CCOc1c(Cl)cc(/C=N\Nc2ccc(C(F)(F)F)cc2)cc1OC 408931638 OGVWQABXMAUGOO-KSEXSDGBSA-N 382.769 4.825 30 40 GJEB N#CCn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 408970416 HOWHPGQBMBVZFM-ATVHPVEESA-N 394.356 4.513 30 40 GJEB Cc1ccc(NC(=O)/C=N/OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 3284985 MJKKRSSSBRJAII-ZMOGYAJESA-N 395.503 4.821 30 40 GJEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(F)cc1 4331403 FXLXLXQECPKERX-OAHLLOKOSA-N 398.507 4.511 30 40 GJEB COc1ccc2c(c1)OCC/C2=N/OC(=O)c1ccc(Oc2ccccc2)cc1 4379941 TUKFZMUKOQLYJP-FLFQWRMESA-N 389.407 4.831 30 40 GJEB Cc1ccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2c1C 4849069 PPCCVPUZQFFMKB-OAHLLOKOSA-N 387.508 4.793 30 40 GJEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C(C)=O)cc2)C1=O 5371419 JNAZUGVJFIMYAR-UYRXBGFRSA-N 395.505 4.860 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])c(C)c3)o2)SC1=S 16283194 BUPBTDVTZWKHGV-YBEGLDIGSA-N 386.454 4.550 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@@H]1c1ccccc1 16741379 SCXZVLMPRCORJY-IBGZPJMESA-N 397.858 4.503 30 40 GJEB CN(C)CCC(/C=C\c1ccccc1)=N\Nc1c(F)c(F)c(F)c(F)c1F 17194747 MWGDFAJJQLTKSL-LLBWCDFTSA-N 383.364 4.815 30 40 GJEB COc1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2CC(C)C)cc1 19890969 XNYRQASUNIRSTM-NFYINOHLSA-N 397.544 4.911 30 40 GJEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2cccc(C)c2C)c1=O 28536972 IEBGGHYJJFKMEW-UHFFFAOYSA-N 396.491 4.616 30 40 GJEB COc1cc(/C=C/C(=O)N[C@@H](C#N)c2cccc(Cl)c2)ccc1OC(C)C 65621808 BBDUNLCEUPZKHH-LNENJAERSA-N 384.863 4.530 30 40 GJEB O=C1/C(=C/Nc2ccc(I)cc2)Sc2ccccc21 100419166 VYXWZLDFROAAPJ-ZROIWOOFSA-N 379.222 4.533 30 40 GJEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N(CCCOC)Cc1ccc3c(c1)C[C@@H](C)O3)C2 100731351 YWYZTVBRBHXUQV-FTGWLVSGSA-N 397.559 4.758 30 40 GJEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224644201 XGQKOPXUMDBIBE-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB COc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)cc1 408624011 WJUYMZKVWILWKH-UHFFFAOYSA-N 387.370 4.766 30 40 GJEB Cc1c2ccccc2c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc12 408723553 ZSZZNNUUFLVZED-QRIZZOLDSA-N 394.474 4.833 30 40 GJEB CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 4934541 FZTCECIAKWXJDK-GOSISDBHSA-N 387.838 4.858 30 40 GJEB C#CCOc1c(Br)cc(/C=N/c2ccccc2)cc1Br 6295349 IMLFAVDARGUINB-YBFXNURJSA-N 393.078 4.974 30 40 GJEB C=CCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 8470185 DJBRQQNUDUSRBP-UHFFFAOYSA-N 396.712 4.966 30 40 GJEB COc1ccccc1/C=C1\Oc2cc(OC(=O)C3CCCCC3)ccc2C1=O 9419347 JTPTYEFPCBPZTE-BKUYFWCQSA-N 378.424 4.797 30 40 GJEB N#Cc1c(CSc2n[nH]c(/C=C/c3ccc(F)cc3)n2)cn2ccccc12 14196461 PIPTXCNQFXLOEH-RMKNXTFCSA-N 375.432 4.531 30 40 GJEB CC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1ccccc1 17207212 DEGQLUDNLRUZQM-GESCJFKXSA-N 395.528 4.754 30 40 GJEB CCc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19808614 CXDIUIRQUAIBBM-ZXVVBBHZSA-N 381.523 4.971 30 40 GJEB C[C@@H](/C(O)=N/C1CCCCC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 40004997 RDYNXGJUFJHHSW-INIZCTEOSA-N 397.485 4.501 30 40 GJEB Cc1cc(C)c(OC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 95117251 CAIKYIMYLRSPEX-LJQANCHMSA-N 387.479 4.801 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3ccc(Br)cc3)C(=O)N2C)cc1 408905516 BGOWJHQDQMOVDC-PDFVYNHPSA-N 387.302 4.991 30 40 GJEB Cc1ccc(CCCN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 585295203 PRJVIFVRIWGKRK-JOCHJYFZSA-N 387.487 4.763 30 40 GJEB COc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(C)c(C)c3)n2)cc1OC 4175537 AVRHCPLHXFSTGB-KOEQRZSOSA-N 392.484 4.784 30 40 GJEB C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccccc1OC 6076770 WQAHPQHBTGSVAJ-UHFFFAOYSA-N 385.464 4.580 30 40 GJEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)oc(-n2cccc2)c1C#N 20005907 WDHLUYPDIBAVLI-UHFFFAOYSA-N 385.876 4.794 30 40 GJEB C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 219642394 CJJMXTMLJNGOSY-MOPGFXCFSA-N 378.516 4.979 30 40 GJEB C=CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226344417 RALOIJVXGKTJAX-UHFFFAOYSA-N 391.652 4.989 30 40 GJEB C=CCOc1ccc(C(=O)Nc2ccccc2Br)cc1OCC 408531576 MJBJZVHJPNGIPV-UHFFFAOYSA-N 376.250 4.665 30 40 GJEB Cc1oc(/N=C/c2cc(Br)cc(Br)c2O)c(C#N)c1C 409084873 NFQASMWUSQLICH-NGYBGAFCSA-N 398.054 4.749 30 40 GJEB C=CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(F)cc1 409338829 BUPDCQKDDYMUEV-UHFFFAOYSA-N 399.491 4.792 30 40 GJEB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc2c(C#N)cnn12 3105330 ONVKCTCBRHFRAU-QMMMGPOBSA-N 383.786 4.521 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]c5ccccc45)[C@H]3C[C@H]12 4028488 GSEQLMIKUZMKEZ-ZMQQLZQCSA-N 392.543 4.614 30 40 GJEB biogenic O=[N+]([O-])c1ccccc1N/N=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1 6252067 WJSYCRIHVQLLNP-XQNSMLJCSA-N 385.427 4.655 30 40 GJEB COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)cc1OC 7906200 DEDXVXSZDGYBBW-ZHACJKMWSA-N 380.419 4.542 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(Cl)cc1Cl 12347726 IYVGOIPZPWLNMZ-CYBMUJFWSA-N 378.259 4.623 30 40 GJEB C#CCOc1c(Cl)cc(/C=N/Nc2nc3ccccc3s2)cc1OCC 15227598 MWXOCHQVNFZUAO-CIAFOILYSA-N 385.876 4.806 30 40 GJEB O=C(O)c1ccc(Cl)c(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 59679627 CFDRBLJASOFDDE-DJKKODMXSA-N 397.656 4.745 30 40 GJEB C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cccc(C#N)c1 72030884 ZTKJASXGIZYNJM-INIZCTEOSA-N 382.423 4.661 30 40 GJEB COc1ccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(C#N)cc3)oc2c1 100703828 SQSRKPZPSAWHHM-PNHLSOANSA-N 395.418 4.798 30 40 GJEB C[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)C1 225868012 SAYLVYYNDHXYQY-STQMWFEESA-N 377.319 4.779 30 40 GJEB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 408599853 MSVGVKMTQYYZBD-RGVLZGJSSA-N 392.480 4.830 30 40 GJEB Cc1ccc(/N=C2/Sc3nc4ccc(C)cc4cc3CN2CCCO)cc1 4858399 PIJVEURHVVEMIW-GHVJWSGMSA-N 377.513 4.829 30 40 GJEB COc1cc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)ccc1OCC#N 7344644 UKPMEJWRPHKDCQ-WYMLVPIESA-N 398.462 4.840 30 40 GJEB C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S 13547590 GSXZQIJLBFSHJG-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB N#CCCn1c([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 14300950 VZYPQGOIWWUESC-JOCHJYFZSA-N 394.478 4.664 30 40 GJEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc(F)c1 20033996 KDBNIGNYZZQIGL-LZYBPNLTSA-N 389.810 4.773 30 40 GJEB COc1ccccc1Oc1ccc(N[C@H](C)C(=O)Nc2sccc2C#N)cc1 28913045 GDHHIQXRZSTYNC-CQSZACIVSA-N 393.468 4.860 30 40 GJEB CC[C@H]1O[C@@]2(C(C)=O)CC[C@@]3(O1)[C@@H]1CCC4=CC(=O)CC[C@]4(C)[C@H]1CC[C@]23C 120710766 MQSDUYIXZDSLSZ-NPFHSBPPSA-N 386.532 4.752 30 40 GJEB CC(C)=Cc1ccc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)n1 215706577 CANYYHHXYUYEPS-UHFFFAOYSA-N 392.406 4.521 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 408564533 ZDXQKKWRWHYNPT-UHFFFAOYSA-N 380.945 4.712 30 40 GJEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc(F)c1 408596414 YXPKMQOEJUXOQC-VULFUBBASA-N 390.414 4.836 30 40 GJEB COc1ccc(Br)c2c1-c1nc(/N=C/c3ccco3)sc1C2 409041162 ITOHBSPCQLROHU-QGMBQPNBSA-N 375.247 4.829 30 40 GJEB Cn1cc(Br)cc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 517927974 CJONUGBNGHYCDP-UHFFFAOYSA-N 396.244 4.704 30 40 GJEB COC(=O)[C@@H]1C(=O)C=C(Nc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 1080014 SBODGHGPPUOMPZ-HKUYNNGSSA-N 389.373 4.547 30 40 GJEB CCn1c2ccccc2c2cc(/C=N/c3cccc4c(O)n[nH]c(=O)c34)ccc21 3161952 FJISGXWBKVGXLR-ZMOGYAJESA-N 382.423 4.507 30 40 GJEB CC(C)N(C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N)C(C)C 3450653 IHKCNMSDJPAKQM-UHFFFAOYSA-N 396.512 4.512 30 40 GJEB CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(Cl)c2)c1=O 4667423 PWWHVFDBYCQGOR-RMKNXTFCSA-N 392.680 4.791 30 40 GJEB Cc1ccc2cccc(OCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2n1 12606686 FHSXATCONPMFKC-CYBMUJFWSA-N 391.496 4.619 30 40 GJEB Cn1c(=O)c2c(c3ccccc31)OC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 18199606 NCPRNMRWKLNLEK-IBGZPJMESA-N 391.854 4.723 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C)cc1 102801538 GYPXUPXSJYMEGA-MRJHHRETSA-N 377.484 4.997 30 40 GJEB Fc1ccccc1COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 408931141 HQMXYQXBDNXOGI-YZSQISJMSA-N 390.458 4.992 30 40 GJEB C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@@H]3[C@H](/C=N/Nc3ccccc3)[C@H]1C[C@H]42 585153199 YOIXAKPYNYEUBR-NNUOLHRDSA-N 399.562 4.631 30 40 GJEB biogenic,in-vitro Cc1ccc(C)c2nc(SCC(=O)Nc3ccc(N(C)C)cc3)c(C#N)cc12 933883 KOBGNLKDZAAFJX-UHFFFAOYSA-N 390.512 4.520 30 40 GJEB Cc1cccn2c(=O)c(/C=N/c3ccc(Cl)cc3)c(NCc3ccco3)nc12 945528 YEPVRMSNNCGTNM-YDZHTSKRSA-N 392.846 4.612 30 40 GJEB CCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)S/C1=N\c1ccccc1 1014076 GDISADVQWLQKPL-IECUCWQJSA-N 382.485 4.718 30 40 GJEB C(=N/Nc1nncc2ccccc12)\c1cn(-c2ccccc2)nc1-c1cccs1 5119704 MEWUPCXWDZEYBP-ZVHZXABRSA-N 396.479 4.990 30 40 GJEB CCc1ccc2[nH]c3nc(N/N=C/c4c(OC)ccc5ccccc45)nnc3c2c1 5471582 ITLZDNQZRHAYHK-ZMOGYAJESA-N 396.454 4.676 30 40 GJEB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C2CCCCC2)c1C#N 6456015 GOYQMMTXSLCTBY-UHFFFAOYSA-N 382.485 4.767 30 40 GJEB O=c1c2ccccc2nc(N/N=C/c2cccc3ccccc23)n1-c1ccccc1 8306412 HHHGFZQQNQVVGO-YZSQISJMSA-N 390.446 4.985 30 40 GJEB CCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OCC 20797209 NHTWXUXACQIYEC-QFIPXVFZSA-N 391.471 4.712 30 40 GJEB C=CCOc1cccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 225566297 CTSJVEIRHPJMJA-UHFFFAOYSA-N 384.545 4.958 30 40 GJEB CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1 408867928 MTBLDCUAKRMSOO-YVLHZVERSA-N 388.876 4.639 30 40 GJEB COC(=O)c1ccc(N2[C@@]3(C#N)CCCC[C@@H]3C[C@@H]3CCCC[C@]32C#N)cc1 4733501 QFDDWPDUHMHVIP-PVTAMDAMSA-N 377.488 4.588 30 40 GJEB CC/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1Cl 12601325 MSHTUVWJXNQENF-JZMJZRGMSA-N 386.864 4.581 30 40 GJEB C/C(=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1O 19626208 JGTUIAWDPWRSRL-LHLOQNFPSA-N 385.511 4.523 30 40 GJEB CN(Cc1cccc(C#N)c1)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 32796581 VMAMVDFEJVWWJY-UHFFFAOYSA-N 388.854 4.715 30 40 GJEB CCOc1ccc(C2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)cc1 225853089 UATNKIBMGRGINK-UHFFFAOYSA-N 379.529 4.907 30 40 GJEB CCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(OCC)c1 408967604 WBMPNELTHOUAHH-XDHOZWIPSA-N 382.485 4.684 30 40 GJEB Cc1ccc(COc2c(Br)cc(/C=N/O)cc2Br)cc1 409041910 KUHAWFYVZHADOB-QGMBQPNBSA-N 399.082 4.907 30 40 GJEB Cc1sc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C#N)c1C 4700815 FFJJLTFBWXDRBK-UHFFFAOYSA-N 387.574 4.656 30 40 GJEB COc1cc(Br)cc(/C=N/c2ccccc2N2CCCC2)c1O 5030450 BMTJFFGPUNVOCI-UDWIEESQSA-N 375.266 4.514 30 40 GJEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cccc(OC)c1 5452139 RRIWGNRKUIDQCV-UHFFFAOYSA-N 398.850 4.619 30 40 GJEB CCOc1cc(/C=N/Nc2ccccc2C(=O)O)ccc1OCc1ccccc1 11905631 UIJMRJOLKFHDGW-BUVRLJJBSA-N 390.439 4.809 30 40 GJEB CC(C)[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 12905091 RZDNEQNBGYTUHE-LJQANCHMSA-N 376.287 4.790 30 40 GJEB N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 69489060 RQGGPVSTVMWPOS-HXUWFJFHSA-N 391.268 4.840 30 40 GJEB N#Cc1c(Cc2ccccc2Cl)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846757 YUKDKTBVMNPROU-UHFFFAOYSA-N 391.689 4.936 30 40 GJEB Cc1nc2ccc(CN3CCC(Oc4ccc(C#N)cc4F)CC3)cc2s1 564316420 GXJBDRBPDDRLSY-UHFFFAOYSA-N 381.476 4.659 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccccc1Cl 4188996 FHZZHPHDGIXIOR-UOXRKKOCSA-N 396.874 4.571 30 40 GJEB C=CCSc1nc2ccccc2n1Cc1nc(-c2ccccc2OCC)no1 12520354 DMGCLYQGRMMBSB-UHFFFAOYSA-N 392.484 4.811 30 40 GJEB Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 20718702 AYULTZNXYWISKY-BFUOFWGJSA-N 378.453 4.708 30 40 GJEB N#C[C@H]1[C@@H](c2ccccc2OCc2ccccc2)CC(=O)N1Cc1ccccc1 26896058 CKJFHSWJICRUCJ-PKTZIBPZSA-N 382.463 4.674 30 40 GJEB Cc1cc(/C=N/c2nc3ccc(Br)cc3s2)c(O)c([N+](=O)[O-])c1 38175881 PTWTTYMHUBJRHX-REZTVBANSA-N 392.234 4.732 30 40 GJEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916075 PWQGLTOZXWPJJS-HXJPOFFTSA-N 394.559 4.789 30 40 GJEB C=CCOc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 225414005 FPICRUHVJWYHJQ-UHFFFAOYSA-N 376.522 4.610 30 40 GJEB O=C(Oc1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1)c1c(F)cccc1F 409011477 GSGVKJLTBOCDGF-WYMPLXKRSA-N 392.365 4.506 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C(C)C)cc1 655818 LKCFVGINKSDPIP-NRFANRHFSA-N 387.479 4.942 30 40 GJEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F 1092923 YIWKYANTGGTYLS-PCLIKHOPSA-N 377.463 4.820 30 40 GJEB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1 2448588 LENOLMBNLMQEEO-UHFFFAOYSA-N 384.892 4.694 30 40 GJEB C=C[C@@H]1C[N+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 2572141 RTHFVUKMXCJYPA-CMKRKMKRSA-N 385.531 4.880 30 40 GJEB CC(C)c1ccc2nc(SCC(=O)N3CCc4ccccc43)c(C#N)cc2c1 4848972 ZTQAHKKJTAJSLK-UHFFFAOYSA-N 387.508 4.911 30 40 GJEB Cc1cccc(C(=O)N2CCCS/C2=N\c2ccccc2Cl)c1[N+](=O)[O-] 5937827 ZXEJRCRMKQPFNH-ZZEZOPTASA-N 389.864 4.823 30 40 GJEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5967431 LVCJVKJQDGAZKB-MNAFEPAFSA-N 394.467 4.931 30 40 GJEB CC(=O)Nc1sc(N/N=C/c2cccc(Cl)c2)nc1-c1cccs1 8769138 SNNXIDMPRRJETB-GIJQJNRQSA-N 376.894 4.929 30 40 GJEB C/C(=N\c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370412 LYRDEMUKXYJAFF-BUVRLJJBSA-N 399.406 4.745 30 40 GJEB C=CCS[C@@]1(Br)NC(c2ccccc2)=C[C@@H](c2ccccc2)N1 101320947 CKKKGHIGUGHFQL-PKOBYXMFSA-N 387.346 4.887 30 40 GJEB Cc1cnc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2C#N)s1 2037834966 MMGLPOHADWMKSO-UHFFFAOYSA-N 399.520 4.576 30 40 GJEB COC(=O)c1ccc(/C=N/c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 802245 NLNXXUQXPQHWRS-ZVHZXABRSA-N 376.387 4.615 30 40 GJEB COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1C 4729865 MNGGAZTZCAPTMM-SDNWHVSQSA-N 389.451 4.893 30 40 GJEB C[C@H](C#N)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 6937126 RNERNTZEZOERER-SNVBAGLBSA-N 379.272 4.897 30 40 GJEB CCOc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 6959411 NUJJFMFCLZHZGE-NKVSQWTQSA-N 397.258 4.526 30 40 GJEB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(C#N)cc1 9295511 HUUGLBSRXGBRRG-CSKARUKUSA-N 391.383 4.521 30 40 GJEB S=C(N/N=C\c1ccc(Cl)cc1Cl)Nc1cccc2cccnc12 17419808 ADODYOBRPJMTFQ-FBHDLOMBSA-N 375.284 4.862 30 40 GJEB CC(C)(C)C(=O)[C@H]1[C@H](c2cccc(F)c2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366037 DGLSJBXQRIXFKY-BDTNDASRSA-N 399.469 4.968 30 40 GJEB Oc1ccc(/C=N\Nc2nc(-c3ccccc3Cl)nc3ccccc23)c(O)c1 83330708 LXLJEJZHQAYOKY-FMCGGJTJSA-N 390.830 4.807 30 40 GJEB CCCCCCCCCCOC(=O)c1cccc(NC(=O)CCC(=O)O)c1 97996993 BRRSIJCTGHCSMS-UHFFFAOYSA-N 377.481 4.787 30 40 GJEB N#Cc1cc(Br)cc(Br)c1OCc1ccc(F)cc1 107893467 DTQSDWDYVNPNOP-UHFFFAOYSA-N 385.030 4.801 30 40 GJEB C[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCCCC2)cc1 225664000 UHRFUNSGVXPJPO-KRWDZBQOSA-N 378.545 4.791 30 40 GJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cc(Cl)cc(Cl)c1O 408960148 CLUWMVOAHFCJAH-AWNIVKPZSA-N 383.231 4.730 30 40 GJEB COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 409217451 VGXZQDJWANCCTA-PXLXIMEGSA-N 381.453 4.522 30 40 GJEB Cc1ccccc1C=Nn1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 409276819 WTAJNXYYHFMXLS-UHFFFAOYSA-N 398.304 4.647 30 40 GJEB O=C[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 1447473 UACDSWCDLIKUBD-XJKSGUPXSA-N 392.505 4.637 30 40 GJEB N#Cc1ccc(COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 3260427 BPKHGDAVPBWXIZ-UHFFFAOYSA-N 379.419 4.768 30 40 GJEB N#Cc1c(/N=C/c2cc(Br)cc(Cl)c2O)sc2c1CCC2 4150736 RADDUFREIAAWGW-FBCYGCLPSA-N 381.682 4.981 30 40 GJEB Cc1ccc2nc3c(cc2c1)CN(CCCO)/C(=N\c1ccc(F)cc1)S3 4858392 PBNXSYYFQMVWCC-XTQSDGFTSA-N 381.476 4.660 30 40 GJEB N#Cc1ccccc1NC(=O)CCSc1ncc(-c2ccccc2)n1C1CC1 12603105 UOANBRIKKPMJAT-UHFFFAOYSA-N 388.496 4.878 30 40 GJEB COc1ccc(-c2c[n+](CC(=O)c3ccc(C(C)(C)C)cc3)c3n2CCC3)cc1 13758133 YAGAXFFMANSLRZ-UHFFFAOYSA-N 389.519 4.578 30 40 GJEB CCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl 19972685 GBKUJRPYADRGOI-UHFFFAOYSA-N 385.891 4.830 30 40 GJEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cc4ccccc4o2)C3=O)C1 20646614 AKGDYBVHNXMFTN-QZDMBBGESA-N 389.451 4.987 30 40 GJEB biogenic C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1O 51287872 SVBTXPJDODTHLE-SFQUDFHCSA-N 383.494 4.535 30 40 GJEB O=S(=O)(Oc1ccc(/N=C/c2cccs2)cc1)c1ccc(Cl)cc1 91302283 SNVVJHUTSBCMET-XDHOZWIPSA-N 377.874 4.920 30 40 GJEB O=C1/C(=N\Nc2nc3ccccc3s2)C(c2ccccc2)=NN1c1ccccc1 100507800 UVCBWYUJMBOCRB-GFMRDNFCSA-N 397.463 4.515 30 40 GJEB O[C@@H](c1ccc2ccccc2c1-c1c([C@@H](O)[C@@H]2CO2)ccc2ccccc12)[C@H]1CO1 261491077 XSHBWGANXOEJEI-CEWHCAETSA-N 398.458 4.524 30 40 GJEB Cc1cccc(C)c1NC(=O)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21 1403291 VYCRUHSYKOUCHZ-DAFNUICNSA-N 385.423 4.935 30 40 GJEB CC(=O)N(/C=N/c1ccc(Br)cc1)c1ccc(Br)cc1 5517980 IVBIPPVEADYFCW-VCHYOVAHSA-N 396.082 4.925 30 40 GJEB Cc1nc2n(n1)[C@H](c1cccc3ccccc13)C1=C(C[C@@H](c3ccco3)CC1=O)N2 8560024 OFSLLUNCYUHQFJ-WAIKUNEKSA-N 396.450 4.748 30 40 GJEB C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2ccsc2c1=O 8877600 DNNKKDUSPRUTEW-LBPRGKRZSA-N 396.497 4.547 30 40 GJEB COc1ccc(/C=C2\Oc3cc(OCC(=O)c4ccccc4)ccc3C2=O)cc1 12662754 JTZIJBZFFULERR-QRVIBDJDSA-N 386.403 4.573 30 40 GJEB biogenic COc1ccc(NC(=O)[C@H](C)O/N=C(\C)c2cc3ccccc3o2)cc1Cl 15389994 HOBIMNHDPPXQJF-ZXCVBSDHSA-N 386.835 4.863 30 40 GJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(N(C)C)cc3)c12 23936969 NFODXWOLZSTNHM-NTCAYCPXSA-N 384.483 4.746 30 40 GJEB CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(C)nc2cc(F)ccc12 31884453 MVNYVWWNYBUHFA-UHFFFAOYSA-N 384.794 4.825 30 40 GJEB C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(C(C)(C)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 118915178 NFVZMTPMHRVCTP-MWGRHRFLSA-N 382.544 4.961 30 40 GJEB COc1ccc(/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 408849231 VUMJAEQSCLDGFZ-OYKKKHCWSA-N 391.423 4.732 30 40 GJEB CCOc1ccc2nc(SC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2c1 984091 PABANEVPGQHNHL-BJMVGYQFSA-N 386.454 4.935 30 40 GJEB COc1ccc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)c(C#N)cc2c1 1354643 AFBMWVIWWJWJIJ-UHFFFAOYSA-N 391.496 4.969 30 40 GJEB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCC#N)cc1)N2 4675448 YIMVLTTYVHYBNO-OPYAIIAOSA-N 375.428 4.941 30 40 GJEB O=C(O)c1cccc(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1 4926136 PESAKLYUWLBBTB-LPYMAVHISA-N 388.452 4.745 30 40 GJEB C[C@@H](c1nnc(SCCCCC#N)n1-c1ccc(F)cc1)N1CCCCC1 8391907 OBGNCCMMFXQVGD-INIZCTEOSA-N 387.528 4.739 30 40 GJEB CCOc1cc(C#N)ccc1OCc1csc(COc2ccc(F)cc2)n1 12765220 DSWZRYRXZXZSOA-UHFFFAOYSA-N 384.432 4.711 30 40 GJEB C=CCOc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)cc1 14120052 UASGWSKWIBJFBB-UHFFFAOYSA-N 391.492 4.816 30 40 GJEB CCn1cc(/C=C2\Oc3c(ccc(OCC(C)=O)c3C)C2=O)c2ccccc21 28182549 UHHKQAWXSCYCGP-NHDPSOOVSA-N 375.424 4.554 30 40 GJEB CSc1nnc(C)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1 36611371 SHUPZXUAXYPYBA-UFWORHAWSA-N 397.287 4.669 30 40 GJEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408741575 QRRJQHNPBKOURS-BUVRLJJBSA-N 375.472 4.697 30 40 GJEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N\Nc3nc4ccccc4s3)cc2)nc1 409199897 FNWGZXMEVKRTAV-NHDPSOOVSA-N 391.412 4.838 30 40 GJEB C=CCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1Cl 409376839 DHMPEYQKSSGJLK-NHDPSOOVSA-N 379.243 4.547 30 40 GJEB N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1 1017696 WGYXOWKGSJQOCU-UHFFFAOYSA-N 384.185 4.925 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c1C 2621226 DMSNNKUGNXQHCY-UHFFFAOYSA-N 395.315 4.615 30 40 GJEB C=CCc1cc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc(OCC)c1O 2726987 OCDGWDXHMVCZRL-CPNJWEJPSA-N 394.496 4.719 30 40 GJEB COCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1Cc1ccco1 4858455 IRKBMSCIXUHYEV-DQRAZIAOSA-N 381.501 4.555 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)cc1 5003887 QVWQZAIVCDUYHO-KAXIZBKFSA-N 381.526 4.989 30 40 GJEB O=C(/C=C/[n+]1cccc(Cc2ccccc2)c1)c1cccc(Br)c1 5683581 NVARKMWGIMXLBG-ACCUITESSA-N 379.277 4.681 30 40 GJEB N#Cc1ccccc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 6839762 OUNVGAKCYDADIF-UHFFFAOYSA-N 383.480 4.552 30 40 GJEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10810790 HOLYJAIUCRPQTI-CQSZACIVSA-N 380.831 4.555 30 40 GJEB COC(=O)c1ccc(N2[C@@]3(C#N)CCCC[C@H]3C[C@H]3CCCC[C@@]32C#N)cc1 13511906 QFDDWPDUHMHVIP-IYRWYFENSA-N 377.488 4.588 30 40 GJEB CC1(C)CCCN(c2nc(Cl)c(C#N)c3c2CN(Cc2ccccc2)CC3)C1 13512368 POXQCBNSOOKQJR-UHFFFAOYSA-N 394.950 4.791 30 40 GJEB Cc1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1C 44844112 NYDFKAILDIWRQS-MDZDMXLPSA-N 377.225 4.717 30 40 GJEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c1 101650683 JPLQYBUNOKHPRC-DRGFOCDESA-N 395.528 4.709 30 40 GJEB C=CCn1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c2ccccc21 408899813 VXVMWDFMSPJFSA-UHFFFAOYSA-N 386.495 4.871 30 40 GJEB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1c(C)cccc1C 408913289 SOHTWHXRWFTDMV-NMSSZPRHSA-N 396.512 4.945 30 40 GJEB COCc1cc(C)nc(N/N=C\c2ccc(Sc3ccccc3)o2)c1C#N 409080603 NJTPGJQJXMOFGQ-UUYOSTAYSA-N 378.457 4.598 30 40 GJEB N#Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 691638 LDQKZDDHMFOVRV-UHFFFAOYSA-N 376.485 4.661 30 40 GJEB COC(=O)c1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1 1440576 VGKOCTXCVXOCNH-OAQYLSRUSA-N 384.435 4.586 30 40 GJEB CCCCCCCC(=O)NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 2335006 KQFSCOBCLKYSGY-QINSGFPZSA-N 396.965 4.933 30 40 GJEB Cc1cc(C)cc(N2C(=O)C[C@@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)c1 4944964 RMHYLCCJRHOWFE-SFHVURJKSA-N 389.451 4.560 30 40 GJEB O=C1/C(=C/c2cc3ccccc3o2)Oc2c1ccc(O)c2CN1CCCCC1 9531829 WXARJPLMINWLKJ-BKUYFWCQSA-N 375.424 4.741 30 40 GJEB biogenic Cc1cc(=O)[nH]c(N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1 18142656 SMESLCYDUGUSBG-KOEQRZSOSA-N 395.466 4.994 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1cc3c(cc1N2)OCO3 18196742 USZREKJEZCPVNQ-LJQANCHMSA-N 398.256 4.742 30 40 GJEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 20637752 SVKNHKIMZFFJKB-WIYYLYMNSA-N 380.407 4.510 30 40 GJEB N#Cc1ccsc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 24047084 IUUHXAMSAWFFLB-UHFFFAOYSA-N 394.296 4.675 30 40 GJEB O=[N+]([O-])c1ccc(-c2ccc(/C=N\Nc3ccc(C(F)(F)F)cn3)o2)cc1 35596109 KKRIOVOSYHKGRB-YVNNLAQVSA-N 376.294 4.715 30 40 GJEB C=CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S 59418075 OXWANMMSRWJQHI-LDADJPATSA-N 385.485 4.792 30 40 GJEB Cc1ccc(C2=N/C(=C3/C=CC(=O)C=C3O)NC(c3ccc(C)cc3C)=N2)c(C)c1 71607339 AQFXADRZDKALKG-UHFFFAOYSA-N 397.478 4.509 30 40 GJEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)o1 408813156 OKQVGSIOOOYCOI-PTNGSMBKSA-N 375.881 4.671 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCC2)cc1F 409065500 MEXUZCCPHHXWIG-FOKLQQMPSA-N 396.344 4.799 30 40 GJEB COc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)O)c2C#N)cc1 873358 DGGYASFKJKXFGZ-AWEZNQCLSA-N 390.464 4.861 30 40 GJEB C=CCn1c(C)c(C(=O)OCC)c2cc(O)c(-c3cccc([N+](=O)[O-])c3)cc21 4424925 ZASNXWMCYKOOTH-UHFFFAOYSA-N 380.400 4.593 30 40 GJEB CCCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 4939549 BPUIJCRRBRYWPR-IQZBWDKASA-N 395.528 4.720 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)cc1C 17167378 YIGHWSPDBXRREM-AQTBWJFISA-N 381.501 4.778 30 40 GJEB C=CCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(C)cc1 32619922 PDSHTVSJBOGNNI-UHFFFAOYSA-N 388.876 4.734 30 40 GJEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OCC)cc1 224591037 YRUNAQCNIAMZAB-UHFFFAOYSA-N 386.300 4.773 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1c(C)cccc1C 408905667 CBIQRHALEQEQLQ-NMSSZPRHSA-N 396.512 4.945 30 40 GJEB O=C(NCCCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2736416 WWNUTVCRCGGNRX-UHFFFAOYSA-N 395.265 4.594 30 40 GJEB N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 4577033 IQALEPIBMDVMAI-UHFFFAOYSA-N 378.042 4.778 30 40 GJEB Cc1cc(C)c2nc(SCC(=O)N3c4ccccc4C[C@H]3C)c(C#N)cc2c1 4849139 UMSGLZCWDVOVDS-MRXNPFEDSA-N 387.508 4.793 30 40 GJEB COC(=O)c1ccc(COc2ccc(/C=N/N3[C@H](C)CCC[C@H]3C)cc2)cc1 5504700 MRWRZIZDSZOKQY-RWZXWVHUSA-N 380.488 4.649 30 40 GJEB CCOc1ccc(/C=C/C(=O)C2=C(C)N(CC)C(=O)N[C@@H]2c2ccccc2)cc1 12408230 INKZSWMETTXYHT-HRNYAPDYSA-N 390.483 4.728 30 40 GJEB O=[N+]([O-])c1cccc(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 33379026 FBEJDTKXBRKWDC-IOMHPIHLSA-N 381.207 4.616 30 40 GJEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F 38205911 VLGJMMSFAVKKOJ-QRVIBDJDSA-N 395.390 4.768 30 40 GJEB N#Cc1c(N)nc(SCc2ccc(F)cc2)nc1Cc1ccccc1Cl 223666827 MXCSEQZOZSQUHY-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB COc1cc2c(cc1OCc1ccccc1)CCN(C(=O)c1ccccc1)[C@H]2C#N 3847279 VGIJPSBSXFPKOG-QFIPXVFZSA-N 398.462 4.537 30 40 GJEB biogenic COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O 5164431 PNEWDDUMVBCNGH-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/Nc2cccc(C(F)(F)F)c2)c1 5525305 PPDFQRXQBFWYDF-ODCIPOBUSA-N 375.253 4.661 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 5551714 KTKNKKNRIUWGDC-UNOMPAQXSA-N 380.469 4.650 30 40 GJEB C=CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1C1CCCCC1 7778947 VXKJAPBOQNMMOV-INIZCTEOSA-N 396.560 4.582 30 40 GJEB CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)c1C#N 32970265 FFXYUZFSARYKCQ-DOMZBBRYSA-N 381.501 4.541 30 40 GJEB N#Cc1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 58157861 JRWUWUQSRHFVIE-QFIPXVFZSA-N 375.859 4.529 30 40 GJEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc2ccccc12 408562160 NOCSDCCQLXNTSJ-UHFFFAOYSA-N 380.517 4.691 30 40 GJEB COc1ccc2c(c1)-c1nc(/N=C/c3cccc(OC)c3OC)sc1CC2 408722962 OTTRMFFEDDEVTQ-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB Cc1cc(N=C2NC(=O)/C(=C/c3ccccc3)S2)cc(C)c1Br 408756398 RPLXMRPSJWLAIF-GDNBJRDFSA-N 387.302 4.958 30 40 GJEB COc1cc(/C=N\c2ccccc2Cl)ccc1OCc1ccc(C(=O)O)o1 409385919 OKUKAMUYIKEJPW-JJFYIABZSA-N 385.803 4.969 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 2197761 FQVONAXCLAGRAZ-UHFFFAOYSA-N 387.867 4.899 30 40 GJEB CCCCOc1ccc(/C=N/N(C)c2cc(C)nc(-c3ccccc3O)n2)cc1 4015891 WJMGOPWVRRWBLP-LFVJCYFKSA-N 390.487 4.807 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1Cl 4189010 FHZZHPHDGIXIOR-GCKAQTDUSA-N 396.874 4.571 30 40 GJEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 4698937 YFDPZASEUUAZOH-UHFFFAOYSA-N 386.864 4.985 30 40 GJEB CCOc1cc(C#N)c(NC(=O)c2c(C)cc(Cl)nc2Cl)cc1OCC 4751836 GEPGRSVKUCYKGK-UHFFFAOYSA-N 394.258 4.618 30 40 GJEB N#Cc1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 5478636 KQJHDAXHTSWSLJ-UHFFFAOYSA-N 390.443 4.889 30 40 GJEB C=CCSc1nnc(NC(=O)c2ccc(OCC(C)C)c(OCC)c2)s1 8314064 VUNGRPZASFVOMU-UHFFFAOYSA-N 393.534 4.502 30 40 GJEB CCOc1ccccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 12772181 LFZSUNAGSIQEJD-CQSZACIVSA-N 383.517 4.726 30 40 GJEB C=CCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409403159 KUNJOXXCMAUXDH-UHFFFAOYSA-N 381.435 4.511 30 40 GJEB CCn1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 409405005 SBWDTMVCMSNTBP-UHFFFAOYSA-N 392.462 4.920 30 40 GJEB COc1ccc(N2C(=O)CC[C@]2(C#N)c2ccccc2OCc2ccccc2)cc1 987612 XXHDZRIDCZDFGQ-VWLOTQADSA-N 398.462 4.820 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(C)cc1 5500505 YNKPRBLLNGCUJM-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB O=C(/N=C1\c2ccccc2CN1c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 12524080 WZUJVYPRAJZYEM-BSYVCWPDSA-N 391.814 4.855 30 40 GJEB Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 20718698 AYULTZNXYWISKY-YJYMSZOUSA-N 378.453 4.708 30 40 GJEB CCOc1ccc(C(=O)Nc2c(C)cc3[nH]/c(=N\N=C(C)C)sc3c2C)cc1 72228703 SUOCORLZDQZFBD-UHFFFAOYSA-N 396.516 4.794 30 40 GJEB CCCCSC1(SCCCC)N=C(N)[C@]2(C#N)[C@H]3C=C[C@@H](CC3)[C@]12C#N 102708485 IKXHYTTVFRPNQZ-CAMMJAKZSA-N 388.606 4.694 30 40 GJEB Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2cccc3ccccc23)c(C)c1 2263225 CQPDCHGYAWYHFV-OBYGDSCDSA-N 387.508 4.922 30 40 GJEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccc(Cl)cc1 2407643 HRAXCPKVGHXZAX-GRSHGNNSSA-N 377.783 4.570 30 40 GJEB C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN(CC)CC 4993571 XGECZEFLGNSYRZ-UHFFFAOYSA-N 375.520 4.540 30 40 GJEB CC(=O)c1ccc2ccccc2c1OCC(=O)Nc1ccc(C#N)c(Cl)c1 5937845 IHOWAGOHBDDVPJ-UHFFFAOYSA-N 378.815 4.585 30 40 GJEB C[C@H]1CCc2c(sc3nc([C@@H](C)SCc4ccc(C#N)cc4)[nH]c(=O)c23)C1 7717673 IMKRZZGPECDNIB-QWHCGFSZSA-N 395.553 4.975 30 40 GJEB Cc1ccc(N(CCC#N)C(=O)CSc2cc(C)c3ccccc3n2)cc1 12533005 QUXVJAIUQVLDNJ-UHFFFAOYSA-N 375.497 4.891 30 40 GJEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1 17945711 QTMXCZCRGVTYQT-CMJOXMDJSA-N 388.423 4.793 30 40 GJEB N#CC1(C#N)[C@H](c2ccccc2)[C@H]2CS[C@@](c3ccccc3)(S2)C1(C#N)C#N 102038576 PYFHHKADCHYDTN-KNKQGSTJSA-N 398.516 4.553 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccc(F)cc1 102880051 GFKAFTOLTSNDFD-NHFXJNLRSA-N 391.373 4.591 30 40 GJEB O=C(/N=C1\N=C2N=CC=CN2Cc2ccccc21)Nc1ccc(Cl)c(Cl)c1 102941107 OXHLDPUJOUYMCH-UQQQWYQISA-N 398.253 4.742 30 40 GJEB CN(C)c1ccc(/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408543714 SIONEYVLPZPGMQ-CFRMEGHHSA-N 387.439 4.797 30 40 GJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccccc1OCc1ccccc1 409039649 RRQAOMOHEGMRHU-KIBLKLHPSA-N 394.290 4.980 30 40 GJEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)OCO2 868865 SOXANMKWPPVZQF-UHFFFAOYSA-N 394.467 4.816 30 40 GJEB N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)C(F)(F)F 2641127 ZUYFYTBCLRZBDF-UHFFFAOYSA-N 399.376 4.708 30 40 GJEB CC1(C)CN(c2ccc([C@H](C#N)/C=N/OCc3ccc(F)cc3Cl)cc2)C1=O 4042191 QSOBUNJULXTAMT-FVWOBLMASA-N 399.853 4.662 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 5372129 GPFIOWZFCIEXIZ-UNOMPAQXSA-N 395.505 4.860 30 40 GJEB O=C(O)c1nc(Cl)c(Cl)c(NN=C2C3CC4CC(C3)CC2C4)c1Cl 6686407 NIAPNYSNKHJJLD-UHFFFAOYSA-N 388.682 4.964 30 40 GJEB CCCc1ccc(O)c(/N=C/c2cc(Br)cc(OCC)c2O)c1 13122417 HWLFDDRFXCAIFS-RGVLZGJSSA-N 378.266 4.962 30 40 GJEB Cc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 19959906 VLVUKXYHLHWURJ-VGSWGCGISA-N 388.471 4.719 30 40 GJEB O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc2c(c1)OCCCO2 24929584 OQQQOHRQTVSIDL-PKNBQFBNSA-N 387.435 4.718 30 40 GJEB Cc1ccc(/N=C2/S/C(=C\c3cc4c(cc3Cl)OCO4)C(=O)N2C)cc1 5793985 PYIGTULEGMQJRG-PBOSUUDUSA-N 386.860 4.611 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 6720077 QYPKLBBHWGXLGU-FQEVSTJZSA-N 391.398 4.506 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1CSCC(=O)O 6784468 DBYUJNMCGLDRLL-WEVVVXLNSA-N 388.510 4.631 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(Br)cc1 18098913 GIGNBLMKGFWILA-CQSZACIVSA-N 395.709 4.564 30 40 GJEB C[C@@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccc(C#N)cc1 40132968 NPLSPZYWZAIBAA-OAHLLOKOSA-N 391.471 4.876 30 40 GJEB CCCCCCCCN(CCO)CCCN(CCO)CCCCCCCC 100923875 VJWNKZBMXNLXCY-UHFFFAOYSA-N 386.665 4.686 30 40 GJEB C=C(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 639709 LOEOGKDKDSALIH-UHFFFAOYSA-N 384.888 4.601 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC 2055145 NRXOHFUGFJDXIW-NRFANRHFSA-N 397.515 4.643 30 40 GJEB N#C/C(=N/Nc1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4996096 SZZYSWRGWACZLI-JCMHNJIXSA-N 383.820 4.711 30 40 GJEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 5409284 LOCZGZQTVRRHNE-MRXNPFEDSA-N 396.855 4.579 30 40 GJEB CC(C)(C)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)cc1 8991669 KYYTYHGFGCTTOF-STZFKDTASA-N 377.484 4.902 30 40 GJEB CCOc1ccc(CSCC/N=C(\S)Nc2ccc(OC)cc2)cc1 13686490 LMDLYWVZOYMTET-UHFFFAOYSA-N 376.547 4.725 30 40 GJEB COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1OC 408738191 IYWVKCIYUGYOGE-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 408911086 YMOMJQRLQXMFOX-HZMNMXHTSA-N 377.469 4.603 30 40 GJEB Cc1c(/N=C/c2cc(Br)c(Br)o2)cccc1C(=O)O 408951784 KCVCZUXSVRZRAA-OMCISZLKSA-N 387.027 4.562 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc([N+](=O)[O-])cc1)OCO3 18197436 YKWFNPORINUKKA-FQEVSTJZSA-N 392.411 4.524 30 40 GJEB CC(C)c1ccc(C2CC(=O)C(=C3OCCN3Cc3ccccc3)C(=O)C2)cc1 20800804 OTLSKBAGKUMNNE-UHFFFAOYSA-N 389.495 4.570 30 40 GJEB N#C[C@H](C(=O)c1cnc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 54466220 HIWVIQOTZATSMU-SECBINFHSA-N 397.765 4.559 30 40 GJEB N=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[C@H]1c1nccs1 136742534 UZFQOAVPARKGHN-SMHQWKPTSA-N 397.437 4.729 30 40 GJEB COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 4980550 WJBNFFLCAJLPOQ-CIAFOILYSA-N 380.473 4.532 30 40 GJEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3C#N)c2n1 6549768 XAWXJQQSKSYHPI-UHFFFAOYSA-N 386.238 4.739 30 40 GJEB C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)n(-c2ccnn2C(C)C)c1C 8720753 QWGLQJGDUIXPTR-JOCHJYFZSA-N 389.503 4.624 30 40 GJEB C=CCOc1ccccc1NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 12204239 KXBKRDYRSDIIDW-UHFFFAOYSA-N 376.460 4.754 30 40 GJEB COC(=O)c1ccc(N2[C@@]3(C#N)CCCC[C@H]3C[C@H]3CCCC[C@]32C#N)cc1 13511909 QFDDWPDUHMHVIP-ZIIYYELXSA-N 377.488 4.588 30 40 GJEB Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 20724621 YCDKFTRVRHGDJY-IFXJQAMLSA-N 378.453 4.708 30 40 GJEB C=CCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(C)cc2)C3)cccc1OC 100765928 DGRTUJASLHDSSW-FGZHOGPDSA-N 393.527 4.583 30 40 GJEB CC(C)c1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1 409127889 QWJOGKLDXZCJIV-BOPFTXTBSA-N 384.888 4.864 30 40 GJEB CC(C)(C)NC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCCC2 756937 SCVYKRILOWRENE-UHFFFAOYSA-N 385.558 4.567 30 40 GJEB Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\c3c(C)cccc3C)N(C)C2=O)c1 1411615 UFTDIGUIGCVLPP-FNWSHLARSA-N 395.528 4.510 30 40 GJEB COc1cc(/C=C/C(=O)OCc2ccc(Cl)cc2Cl)ccc1OCC#N 3299290 JKCMARDRKUOZII-XVNBXDOJSA-N 392.238 4.661 30 40 GJEB O=C(Nc1ccc(Br)cc1)c1cccc2c1-c1ccccc1/C2=N/O 4473248 VAPGFBJTSZUUNW-NMWGTECJSA-N 393.240 4.908 30 40 GJEB C(=N/n1cnnc1)\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4679052 DOVCRAKYSCWOOS-RLWVUDJFSA-N 392.466 4.516 30 40 GJEB COc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1 5356772 RVYNIENFWRUXGV-CAOOACKPSA-N 385.055 4.676 30 40 GJEB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2CC(C)C)cc1 6049647 JEHLZRVOXSDTRT-UHFFFAOYSA-N 378.501 4.774 30 40 GJEB CCCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 13140768 PBFHBMOVIDDJNJ-RUDMXATFSA-N 391.261 4.848 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3CC)nc2c1 35290827 PFRMHCQMANJWDM-UHFFFAOYSA-N 391.496 4.798 30 40 GJEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccc(Cl)cc1 100510726 HMCVPYZKNPOFMW-HAVVHWLPSA-N 395.875 4.654 30 40 GJEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916080 LNURYWGKYJSNOL-QXYLHEQTSA-N 396.575 4.869 30 40 GJEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 224715402 MPILAAVWOBJLAE-UHFFFAOYSA-N 375.799 4.740 30 40 GJEB C=CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408557466 NTMGXWRGXDOALW-LJQANCHMSA-N 375.877 4.692 30 40 GJEB COc1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)cc1 409281250 NHYXPPIFMZNHFO-UHFFFAOYSA-N 395.418 4.701 30 40 GJEB Cc1ccsc1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 1087082 CYUYGWDCEUILGH-KGENOOAVSA-N 382.510 4.559 30 40 GJEB C(=C/c1ccccc1)\C=N\Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 3158235 XORXZOATQGNZSH-GVALOIRESA-N 399.502 4.717 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(CC)cc2)nc2cc(Cl)ccc2c1=O 3368711 GJCCILOKAKZNKO-UHFFFAOYSA-N 398.915 4.773 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1 5519997 YRXBGDAXUIVBKO-HKWRFOASSA-N 379.529 4.987 30 40 GJEB CCc1ccc(/N=C/c2cc(I)c(OC)c(OC)c2)cc1 8084427 PYTFNGVPNVTMCJ-YBFXNURJSA-N 395.240 4.621 30 40 GJEB C=CCSc1ccccc1NC(=O)CN(Cc1ccco1)Cc1ccco1 39990570 BESHZVZEERIWFD-UHFFFAOYSA-N 382.485 4.792 30 40 GJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)cc1 40285581 MPLXDPLOGRYTHC-MRXNPFEDSA-N 398.344 4.766 30 40 GJEB Cc1n[nH]c(NC=C2C(=O)CC(c3ccc(F)cc3)CC2=O)c1-c1ccccc1 101282721 KFMQGXDESTVRQT-UHFFFAOYSA-N 389.430 4.536 30 40 GJEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1C1CCCCC1 102227879 MKQMDNVKHIPXQG-XYJFISCASA-N 390.597 4.545 30 40 GJEB CC(C)(C)OC(=O)[C@H](C#N)C(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 255187193 BVJMZBGTVDVEOP-MRVPVSSYSA-N 382.165 4.676 30 40 GJEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 408911582 OAVUXYDPXZCPGC-MSXFZWOLSA-N 390.439 4.858 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(I)cc1 408960221 JUBRQXGYLRLDCD-MOSHPQCFSA-N 390.268 4.950 30 40 GJEB Cc1oc2cc(OCC#N)ccc2c(=O)c1Oc1ccccc1Br 2333460 WAVRULMFLSYQRV-UHFFFAOYSA-N 386.201 4.559 30 40 GJEB Cc1ccc(C(c2ccc(C)cc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 3125022 DPVUXHCLRDCFPK-UHFFFAOYSA-N 385.419 4.530 30 40 GJEB Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)/C=C\c2ccccc2)cc1 33376641 GCUBGZMPQDARFV-SSZFMOIBSA-N 378.449 4.659 30 40 GJEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1oc3ccc(F)cc3c1C)=C2 79190565 ZCDOWZFDNZKPPK-UHFFFAOYSA-N 395.430 4.609 30 40 GJEB biogenic C/C(=N\c1ccccc1C(=O)O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643608 CITDUIPKQZXBJG-MFKUBSTISA-N 398.418 4.535 30 40 GJEB C=CCOc1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 225418295 IFQFLGPXEIWPJZ-UHFFFAOYSA-N 381.545 4.728 30 40 GJEB CCOCCN1C(=O)/C(=C/c2cc(C)n(CC)c2C)SC1=Nc1ccccc1 409094402 DQQHDRPPUHOFKM-SPDSTVKKSA-N 397.544 4.765 30 40 GJEB CCCCCCCCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 1609236 QPXDTEXOMMULLS-UHFFFAOYSA-N 387.572 4.782 30 40 GJEB C[C@@H](/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C)c1ccccc1 4107783 LRXMLXOCFPDRJC-NBOSHJHFSA-N 381.526 4.720 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 4746584 IZYNNPPUUVTJFU-LDADJPATSA-N 390.420 4.536 30 40 GJEB S=C(N/N=C\c1ccc(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2 5030421 YWXGSNLDLKUHIP-FBHDLOMBSA-N 382.360 4.760 30 40 GJEB C(=N/Nc1ncnc2scc(-c3ccccc3)c12)\c1ccc2c(c1)OCCO2 5577358 VBDRSLLMADDBCF-BHGWPJFGSA-N 388.452 4.576 30 40 GJEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(Cl)c1)c1c(O)n[nH]c1N2 18196462 DMPSCDKQTSWQQU-ZBEGNZNMSA-N 397.887 4.788 30 40 GJEB O=C(/C(Br)=C(/Br)C(=O)c1ccccc1)c1ccccc1 31672571 WYBKSZUTKGRPNK-YPKPFQOOSA-N 394.062 4.754 30 40 GJEB C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1coc(-c2ccccc2)n1 65453489 SKPIICWHUTWHSA-HNNXBMFYSA-N 377.469 4.775 30 40 GJEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225012151 QWVRPRMPVGTAIF-UHFFFAOYSA-N 394.452 4.643 30 40 GJEB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C#N)c1 225772629 FFEIEMBOJSJBQD-UHFFFAOYSA-N 392.499 4.733 30 40 GJEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Cl)c2)C2=C1CCCC2=O 780236 YXLOVZOHPSUMCS-UHFFFAOYSA-N 385.891 4.869 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C#N)C1 993970 LLKFVWKTKQYFLL-SECBINFHSA-N 375.837 4.558 30 40 GJEB COc1ccc([C@H](CC#N)[C@H](C#N)c2ccc(Br)cc2)cc1OC 1084376 FUELQXDQMHQJGY-DLBZAZTESA-N 385.261 4.771 30 40 GJEB C#CCOc1c(Br)cc(CNc2ccccc2)cc1Br 2093818 XFCMZYDBJCILDT-UHFFFAOYSA-N 395.094 4.836 30 40 GJEB CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2265817 XQPDKFPSDVGGKF-SFHVURJKSA-N 394.519 4.597 30 40 GJEB C[C@@H](C#N)Sc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 2637569 MBBDQECIICEOKG-LBPRGKRZSA-N 379.466 4.711 30 40 GJEB COc1ccc(/N=C(/CNc2ccc(OC)cc2)Nc2ccc(OC)cc2)cc1 4235299 AWDUSCGXEXKSDU-UHFFFAOYSA-N 391.471 4.967 30 40 GJEB biogenic COc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 8473738 HWUHUSWQHJODJI-NTEUORMPSA-N 379.268 4.894 30 40 GJEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](/C(C)=N/O)[C@@]4(C)CC(=O)[C@@H]32)C1 118915913 BSLCVENCLGLBCE-KZBFNYFCSA-N 389.536 4.606 30 40 GJEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2nc3ccccc3n2C)o1 408669027 WRGMXYQNTHLASV-ZVHZXABRSA-N 396.454 4.773 30 40 GJEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408913008 JNWBVGLMGFFVTD-FOKLQQMPSA-N 396.830 4.895 30 40 GJEB CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc([N+](C)(C)C)cc2)cc1 3873992 CKTYULMXIIQZGG-UHFFFAOYSA-N 387.571 4.590 30 40 GJEB in-vitro CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O 4899025 STGSZDVITJLBGA-ZNVYLOEZSA-N 395.528 4.638 30 40 GJEB COCCN1C(=O)/C(=C\c2ccc(SC)cc2)S/C1=N\c1ccccc1 5660832 UOJBQRVMBCLZMP-HOOMGSECSA-N 384.526 4.659 30 40 GJEB Cc1ccc(-c2cs/c(=N\CCc3ccccc3)n2/N=C/c2ccccn2)cc1 6788621 PXSISYGLNCEENZ-DWMFQMKOSA-N 398.535 4.946 30 40 GJEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(Cl)cc1 9331948 AIWYHPFASDKEOY-BTYIYWSLSA-N 390.874 4.656 30 40 GJEB CC(=O)N[C@@H](CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc(C)cc1 11328861 LWCBQHOFRLJZMX-DEOSSOPVSA-N 398.462 4.707 30 40 GJEB Cc1ccccc1OCc1nc(SCc2ccc(Cl)cc2)nc(N)c1C#N 223683075 UPUSFFPCWLAISM-UHFFFAOYSA-N 396.903 4.764 30 40 GJEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(C)C 408589632 FFBLHTVGFYIFQT-SRZZPIQSSA-N 392.839 4.985 30 40 GJEB CC(C)(C)N1CC[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 596727469 RZHLZBUHRZEZIP-SFHVURJKSA-N 392.503 4.592 30 40 GJEB O=S(=O)(c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1)N1CCCC1 4603184 UBWIKRWKSSWXKV-UDWIEESQSA-N 383.300 4.529 30 40 GJEB C=CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccoc1C 6559341 YTLQVTKQTCCTFT-UHFFFAOYSA-N 397.435 4.514 30 40 GJEB CC(C)CC(=O)Nc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1 7849195 GMCOGANXFLYCMG-GHVJWSGMSA-N 394.544 4.610 30 40 GJEB CN1/C(=C\C(=O)COC(=O)Cc2cccc3ccccc23)C(C)(C)c2ccccc21 18087256 SXWLSJPNXXZONI-JLPGSUDCSA-N 399.490 4.806 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc2ccccc2c1 20026827 JKAPODGJALZFTF-JOCHJYFZSA-N 395.458 4.971 30 40 GJEB O=C1CCCC2=C1C(c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)N2 59193513 SPLWLBQWFMSMMJ-UHFFFAOYSA-N 399.490 4.967 30 40 GJEB C[C@@H](NC(=O)COc1ccc(/C=N\c2ccc(F)cc2)cc1)c1ccccc1 100093555 OWHPQVCUCWDWCK-WZJLVRHISA-N 376.431 4.833 30 40 GJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 226333135 MKTMZJPKXICBFQ-PKNBQFBNSA-N 385.257 4.526 30 40 GJEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O 408917098 MMBKDAVFZCVMBX-VCHYOVAHSA-N 384.888 4.725 30 40 GJEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cc1 408955125 WMCIWJUIMFDYDZ-ZHZULCJRSA-N 389.480 4.686 30 40 GJEB O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1OCc1ccc(Cl)cc1 409065035 GTCJTVIABVQHJH-WSDLNYQXSA-N 382.807 4.668 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccn4)c3C)S2)c1 409236146 DMGOHJBLWOFISD-UYRXBGFRSA-N 388.496 4.689 30 40 GJEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccc(Cl)cc1 2258717 ODWVWCLZDZLMSS-ZVHZXABRSA-N 389.842 4.511 30 40 GJEB CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(OC)cc1 4740365 MMHYHLFTYFWZSY-VSSLKNPCSA-N 378.472 4.847 30 40 GJEB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6409265 VGASQDJJEOPCME-IBGZPJMESA-N 384.479 4.742 30 40 GJEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NC[C@H]1CCCO1 8844519 BIXMRQWNNGBYJV-OAHLLOKOSA-N 399.834 4.630 30 40 GJEB CCOC(=O)c1cccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1 10118798 PHQDDJCDSMZZAY-ZVHZXABRSA-N 382.847 4.900 30 40 GJEB O=C(O)CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 12377794 ZZUFPRQNKLLNBI-TWGQIWQCSA-N 398.821 4.713 30 40 GJEB O=C(NC1CCCCC1)c1c(/N=C/c2ccc(O)cc2O)sc2c1CCCC2 17081566 PNJNWFDFJBODKJ-YDZHTSKRSA-N 398.528 4.851 30 40 GJEB CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 95993092 GHUXUNWHJNQMKY-SFHVURJKSA-N 390.531 4.933 30 40 GJEB C=CCOC(=O)c1cc(Br)c(OCc2ccccc2)c(OCC)c1 216831338 RGSQQYXCJBNJLZ-UHFFFAOYSA-N 391.261 4.770 30 40 GJEB Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccnc1 408780674 HPKGRSBDTQVKEX-ODLFYWEKSA-N 392.459 4.520 30 40 GJEB CCC(=O)[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1681494 COZBGHHCCFJHAR-PXFMPXEPSA-N 386.532 4.799 30 40 GJEB Cn1nc(C(F)(F)F)c(/C=N/OCc2c(Cl)cccc2Cl)c1Cl 3041169 MGXISVGXEQQNHU-DENHBWNVSA-N 386.588 4.950 30 40 GJEB CCOc1cc(/C=N/c2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 4738522 MEUDWNHXRAOEBD-CIAFOILYSA-N 379.372 4.637 30 40 GJEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2c(F)cccc2Cl)cc1 5900395 VPPZJNOJMSARKK-KEBDBYFISA-N 376.844 4.681 30 40 GJEB Cc1ccccc1-n1c(S[C@H](C#N)Cc2ccccc2)nnc1-c1ccncc1 6578610 SNKNWLLMFNBGIQ-FQEVSTJZSA-N 397.507 4.865 30 40 GJEB COc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)ccc1OC(F)F 12598702 YGHLAJGYDOCAGB-AUEPDCJTSA-N 377.778 4.944 30 40 GJEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(C)cc1 13845435 IRJDAIVLIKHLDG-UHFFFAOYSA-N 381.501 4.652 30 40 GJEB C=CCOc1ccc2c(-c3ccccc3)c(C(=O)NC(=O)NC(C)C)oc2c1 14092690 KCRQAMUKPCXGEA-UHFFFAOYSA-N 378.428 4.512 30 40 GJEB C[C@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)C1 225867995 SAYLVYYNDHXYQY-BETUJISGSA-N 377.319 4.779 30 40 GJEB Cc1c2ccccc2c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc12 408723555 ZSZZNNUUFLVZED-XUURJULUSA-N 394.474 4.833 30 40 GJEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(Br)cc1 408731613 OBABAPTYIBFIOO-SFHVURJKSA-N 385.261 4.583 30 40 GJEB O=C1NC(=Nc2ccc(Br)cc2)S/C1=C/c1cccc(Cl)c1 408752902 LPJOSECSNBDADX-NTEUORMPSA-N 393.693 4.994 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)S2)cc1 408961360 RZVOIHUBFGGMKP-HKWRFOASSA-N 377.513 4.741 30 40 GJEB C=CCOc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385612 WHVKXYPALTWUCS-KOEQRZSOSA-N 381.435 4.511 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)c(C#N)cc2c1 649518 FHGKKFUJVUAUBL-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccn2)cc1 2200626 FEIKTIFODYPWLB-UHFFFAOYSA-N 399.479 4.502 30 40 GJEB C=CCNC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 2665107 BKMOFTSHBWYNIV-UHFFFAOYSA-N 396.446 4.514 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 3352292 WRYVSDBFLQVPQE-UHFFFAOYSA-N 388.448 4.733 30 40 GJEB CCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3sc(C#N)c(N)c32)cc1 4402434 ULEOIBMVJSRCBU-GOSISDBHSA-N 381.501 4.801 30 40 GJEB COc1ccc(C(=O)CSc2nc(C3CC3)cc(C(F)(F)F)c2C#N)cc1 4450377 ODCVMBZGNOLDJI-UHFFFAOYSA-N 392.402 4.833 30 40 GJEB COc1cc(/C=C/C(=O)Nc2ccc(CC#N)cc2)cc(Cl)c1OC(C)C 15030248 DXHNOUITUKCFJG-RMKNXTFCSA-N 384.863 4.854 30 40 GJEB CN1CCc2nc(SCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c2C1 19889341 MKVLLZONLRUQFK-UHFFFAOYSA-N 399.519 4.583 30 40 GJEB COC(=O)c1cc(-c2ccc(/C=N/NCc3ccccc3OC)o2)ccc1Cl 20761791 CBNIHNMFYIHEHI-ZMOGYAJESA-N 398.846 4.519 30 40 GJEB N#Cc1ccc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3cccc(F)c3)o2)cc1 71890586 FWRQKXUXKMOFHJ-FQEVSTJZSA-N 388.446 4.517 30 40 GJEB Cc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100003726 LWERPKAZMDEKDX-FQEVSTJZSA-N 382.500 4.854 30 40 GJEB O=C(/C(=C/Nc1ccc(Cl)c(F)c1)C(=O)C(F)(F)F)c1cccs1 100038597 LRTQTQODOMLIPR-CLFYSBASSA-N 377.746 4.851 30 40 GJEB C=CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccs1 225137897 RUHPIIDNKTZVHC-UHFFFAOYSA-N 392.727 4.545 30 40 GJEB N#Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 408917579 XRSKCSRWPXWUMQ-AQWOHROKSA-N 385.448 4.955 30 40 GJEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)o1 1013421 IFLWDRCSAAJAID-PTNGSMBKSA-N 375.881 4.671 30 40 GJEB O=C1CCCC2=C1[C@H](c1cccnc1)CC(=O)N2c1ccccc1C(F)(F)F 1440860 FFFKHITVDDEEDY-AWEZNQCLSA-N 386.373 4.628 30 40 GJEB Fc1ccccc1COc1ccc(/C=N/N=C(\S)NCc2ccccc2)cc1 8685709 AUGZUHDWHQVHGW-MFKUBSTISA-N 393.487 4.814 30 40 GJEB CCC[C@H](NC(=O)CSc1nc2ccccc2n1CCC#N)c1ccccc1 12603912 SBTMMFXWIRJPKO-SFHVURJKSA-N 392.528 4.700 30 40 GJEB Cc1sc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(C#N)c1C 28227365 WUZDHCJIYGQEPQ-QMMMGPOBSA-N 390.818 4.613 30 40 GJEB Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(N4CCCC4)o3)cccc2c1=O 36359451 OQLDKGPFZWOKSP-UHFFFAOYSA-N 397.434 4.895 30 40 GJEB CC(C)(C)N(CC#C[C@](O)(c1ccccc1)c1cccnc1)Cc1ccccc1 61868485 KDFDOFVYKKKKHC-SANMLTNESA-N 384.523 4.622 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F 102879643 LIDZPRINGHUBTC-SELCWUDQSA-N 387.838 4.701 30 40 GJEB CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1cccc(C(=O)O)c1 210586214 KWBWZCYEONYEIP-BRQLWOPXSA-N 386.860 4.662 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(OC)c2)C(=O)N1C 213158321 WRGFZQOGUBERLJ-NFYBBCHUSA-N 382.485 4.500 30 40 GJEB Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 408863410 NWDKVRAKNDKICF-NVNXTCNLSA-N 379.268 4.899 30 40 GJEB Cc1cc([C@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc(C)c1O 4812485 ZJWYUUBWKSMHFJ-FQEVSTJZSA-N 399.490 4.947 30 40 GJEB CCc1ccc(N/N=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 5023384 SSUIWMLTMJPKTA-UQQQWYQISA-N 392.484 4.729 30 40 GJEB CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 6820253 RAVZCITZOTWJBK-MAUKXSAKSA-N 395.886 4.743 30 40 GJEB CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCc2ccccc21 7911964 SMUZIIKHQMKHLD-HXUWFJFHSA-N 393.556 4.837 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nc2sccc2c1=O 12766289 PUSGPFCFGFKHHN-AWEZNQCLSA-N 384.526 4.624 30 40 GJEB COc1ccccc1N1C(=O)C[C@H](c2ccccc2OCc2ccccc2)[C@@H]1C#N 26896003 MLLBHDDXLGJDOP-IRLDBZIGSA-N 398.462 4.687 30 40 GJEB CCOc1cc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)ccc1O 59461360 RDMSHAIEGUOXED-FLLPAOQRSA-N 382.441 4.981 30 40 GJEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3C#N)CCCC2)cc1 225754640 DLHUSPUZSMTWOC-UHFFFAOYSA-N 378.472 4.805 30 40 GJEB C=CCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21 2280965 SZRJZDDPKYJEDA-UHFFFAOYSA-N 387.830 4.548 30 40 GJEB C=C1C[C@@H]2[C@H]3CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 4026392 WJFDQNDYQVFWKP-VJUMFLBISA-N 396.527 4.741 30 40 GJEB biogenic Cc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](C)CC1=O)N2 10339524 ZXMLKZUXXFNDHP-JLCFBVMHSA-N 386.455 4.647 30 40 GJEB C=CCc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc(OCC)c1O 15013684 KQEIHMFOZJFFFD-CPNJWEJPSA-N 394.496 4.719 30 40 GJEB COc1ccc(CSc2nc(-c3ccc4c(c3)OCO4)ccc2C#N)cc1 19074825 OVSXVEABHHREBA-UHFFFAOYSA-N 376.437 4.650 30 40 GJEB CC1(C)[C@@H](/C=C2\CCSC2=O)[C@H]1C(=O)OCc1coc(Cc2ccccc2)c1 25759560 UGWALRUNBSBTGI-ZKMZRDRYSA-N 396.508 4.776 30 40 GJEB COc1ccc(N2C(=O)C[C@H](c3ccccc3OCc3ccccc3)[C@@H]2C#N)cc1 26896073 WTUUSLZLVMUXCU-PKTZIBPZSA-N 398.462 4.687 30 40 GJEB N#Cc1c(N)nc2c(c1N)[C@@H](c1ccc(F)cc1)c1ccc3ccccc3c1O2 36559235 CPLPBVTYXYWOGE-SFHVURJKSA-N 382.398 4.696 30 40 GJEB CCCCCCCCS(=O)(=O)NCCCCCCCCCCC(=O)O 100922045 XFJONVKWGPZBGW-UHFFFAOYSA-N 377.591 4.862 30 40 GJEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225103328 ZWBRCXPUJBWKIW-UHFFFAOYSA-N 390.263 4.522 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253370069 LNURYWGKYJSNOL-UGFFRRAUSA-N 396.575 4.869 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2c1 976955 STVPFEGRDBTBGA-UHFFFAOYSA-N 397.887 4.889 30 40 GJEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccncc1 2348906 PGTAVWBBZCCKBB-UHFFFAOYSA-N 386.480 4.654 30 40 GJEB CCOc1ccccc1NC(=O)[C@H](C#N)Cc1cc2ccc(C)cc2nc1Cl 4168244 GPYCONBHCVTLAB-KRWDZBQOSA-N 393.874 4.916 30 40 GJEB CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 5193306 JOZPGPYXOXLWJU-APSNUPSMSA-N 378.211 4.670 30 40 GJEB COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 6043712 NFDIMDKNWJCTIS-NVNXTCNLSA-N 379.268 4.894 30 40 GJEB C=CCSc1nnc2n(-c3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc3n12 11396252 VGIHEFQTHAWSRQ-HNNXBMFYSA-N 390.512 4.825 30 40 GJEB C=CCc1ccccc1OCc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)o1 27983985 PWVNUBRZSLARJL-UHFFFAOYSA-N 396.531 4.626 30 40 GJEB C=CCn1c(CCCCCCC)nnc1SCC(=O)NC1CCCCC1 408560970 RTGKHGTWECSLBD-UHFFFAOYSA-N 378.586 4.518 30 40 GJEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cn1 408954468 WYYVDVFLAYCUAB-YVNNLAQVSA-N 383.835 4.600 30 40 GJEB Cc1cc(OCC(=O)Nc2ccccc2C#N)c(C(C)C)cc1Br 674703 ZEMPRWBKTRFTCJ-UHFFFAOYSA-N 387.277 4.770 30 40 GJEB C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cnccn1 5101008 RIJVNHPYIWJULR-UHFFFAOYSA-N 378.288 4.520 30 40 GJEB N#CCSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 5326024 TYYIGBPNLPGPMD-UHFFFAOYSA-N 399.317 4.566 30 40 GJEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1 5524772 QKCWMAMJDNVKHP-JOCHJYFZSA-N 385.467 4.754 30 40 GJEB COC(=O)c1ccc(CSc2nc(-c3ccc(OC)cc3)ccc2C#N)cc1 9970828 JCHSBEPLVMVEAW-UHFFFAOYSA-N 390.464 4.708 30 40 GJEB COc1ccc(N(C(C)=O)c2nc(/C=C3/Cc4ccccc4C3=O)cs2)cc1 96924477 QLZRMRNDFMDTLM-VBKFSLOCSA-N 390.464 4.659 30 40 GJEB C(=N/n1c(-c2ccccc2)cs/c1=N/CCc1ccccc1)\c1ccccn1 103371983 YFKTUMHWAMSYTJ-VFNGAFMHSA-N 384.508 4.637 30 40 GJEB C=CCOc1c(CC=C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 409068939 SVILJQTUQKUVJP-RCCKNPSSSA-N 388.467 4.795 30 40 GJEB COc1ccc(Oc2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)cc1 1915099 RUROFWFXEAOYQH-UHFFFAOYSA-N 391.301 4.515 30 40 GJEB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccc(C#N)cc2)c2ccccc2)c1 2635476 OZSHCWFJNPUZOE-JOCHJYFZSA-N 384.435 4.712 30 40 GJEB COc1ccc(O)c(/C=N/Nc2ncnc3scc(-c4ccc(C)cc4)c23)c1 4147406 ZMRZWEVFPRCHBC-YSURURNPSA-N 390.468 4.827 30 40 GJEB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820933 JHFXTNJNQOZGEJ-HICUSVRDSA-N 388.548 4.606 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N 34791508 QXYWSSGMGPHMLB-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB Cc1sc(C(=O)[C@H](C#N)c2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 41549582 LNHWAGKSNWVANL-MRVPVSSYSA-N 389.742 4.522 30 40 GJEB Cc1cc(/C=N/Nc2ccc3ccccc3n2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427210 SUEMCHXCBXRBMT-OEAKJJBVSA-N 385.427 4.997 30 40 GJEB CCCCCCCC(=O)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(CC)cc1 100563083 GYQGFULVWBOERA-IBGZPJMESA-N 384.442 4.905 30 40 GJEB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1 225754603 VUGRBCZCWIDSOU-UHFFFAOYSA-N 378.472 4.806 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)c1 408960264 KKCJLWKKZNZDKR-HKWRFOASSA-N 377.513 4.877 30 40 GJEB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccccc1C#N 409121653 VIGAKTRKUQADAS-NDENLUEZSA-N 382.419 4.639 30 40 GJEB COc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c(C)c1 409283198 QKIIPBPFSHCBQU-UHFFFAOYSA-N 375.472 4.643 30 40 GJEB O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(F)c1 409298614 PBIBQEJKEVDPOC-UHFFFAOYSA-N 383.382 4.831 30 40 GJEB O=C(C[n+]1ccc(CCc2c[nH]c3ccccc23)cc1)c1ccc(Cl)cc1 2557783 VVHLPYHXXPPURX-UHFFFAOYSA-N 375.879 4.777 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1 4285978 FFMUIQFMYOLRIK-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB Cc1cc(Br)cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O 5960008 BKPJCULVQGRHEQ-KEBDBYFISA-N 375.266 4.808 30 40 GJEB C[C@H]1CN(c2ccc(/C=N/OCc3c(Cl)cccc3Cl)cn2)C[C@@H](C)O1 18113301 QUTPPJLYKRWFEZ-NRCUZYMXSA-N 394.302 4.553 30 40 GJEB CCCC/N=C1\S/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N1CCCC 35041955 MEMLHONDXHNOGJ-VYADPRQXSA-N 390.549 4.966 30 40 GJEB N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 72304573 FHAONAAMVZNQRO-WIYYLYMNSA-N 390.874 4.642 30 40 GJEB COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OC(C)C 408867992 KWQQNHRQAQSBHC-WQRHYEAKSA-N 386.448 4.513 30 40 GJEB COc1ccc(Cl)cc1-n1c(SCC#N)nnc1-c1cccc(Cl)c1 4254254 HTSYAKNMKBLMLK-UHFFFAOYSA-N 391.283 4.865 30 40 GJEB C=CCn1c(SCC(=O)N[C@@H](C)c2cccc(Cl)c2)nc2ccccc21 5619161 OCMFLNZBOJZKBM-AWEZNQCLSA-N 385.920 4.845 30 40 GJEB COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2onc(C)c21 13570738 FZLOCQYXMVLZCW-AOMKIAJQSA-N 386.451 4.950 30 40 GJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C(C)(C)C)c32)cc1O 20716419 GSHAUYKOPGUFRQ-KRWDZBQOSA-N 396.487 4.887 30 40 GJEB Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3cccc(C)c3C)C(=O)N2C)cc1C 54979078 KBNDIVVONRRSJB-CWJYSFMFSA-N 395.528 4.510 30 40 GJEB C[C@@H]1CCc2c(sc3nc(S[C@H](C)C#N)n(-c4ccccc4F)c(=O)c23)C1 4241963 ITEIDPMMQAHMQV-VXGBXAGGSA-N 399.516 4.715 30 40 GJEB CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OC 7351953 UXXXEMCWXBMTHX-FNORWQNLSA-N 376.836 4.748 30 40 GJEB C[C@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 7985774 GXNCGDLQCKSJLY-KRWDZBQOSA-N 396.450 4.687 30 40 GJEB COc1cc(OC)cc(C(=O)/C(=C\c2ccco2)c2nc3ccccc3o2)c1 13682378 NTDCJSQDOMOJBB-QGOAFFKASA-N 375.380 4.862 30 40 GJEB CCCCCCSc1nc(N)c(C#N)c(-c2ccc(OC(C)=O)cc2)c1C#N 20826930 AGLAPMOBPXQFJV-UHFFFAOYSA-N 394.500 4.672 30 40 GJEB S=C(N/N=C\c1cccc2ccccc12)N/N=C\c1cccc2ccccc12 33776035 WWMNVWJYHCDQIV-URXAUHHJSA-N 382.492 4.825 30 40 GJEB O[C@@](c1cnc2ccccc2c1)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 97949508 BGUFBHDCYOVDJN-INIZCTEOSA-N 393.233 4.729 30 40 GJEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\N1CCCCC1)C2=O 118934877 ZFGXLNALPWRPDS-ANFISQHYSA-N 383.576 4.859 30 40 GJEB COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 408723756 JXWXGZWCHHMIJD-GZTJUZNOSA-N 388.250 4.871 30 40 GJEB C=CCn1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408784246 PTWFFLUEONSLJC-CVGPFBNFSA-N 389.524 4.989 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(C(F)(F)F)c3)S2)cc1 408949766 BZZSYHKNVCFMQD-LFIBNONCSA-N 392.402 4.996 30 40 GJEB CCc1ccc2nc(SCC(=O)N3c4ccccc4C[C@H]3C)c(C#N)cc2c1 4848909 BLHOPEAJFNUBOG-OAHLLOKOSA-N 387.508 4.739 30 40 GJEB N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)Cc1cccs1 7580368 JJPZTXODMJPNSV-UHFFFAOYSA-N 385.876 4.507 30 40 GJEB N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(Cl)c1 7857474 YZHWJFBHDUEZKW-UHFFFAOYSA-N 398.846 4.661 30 40 GJEB C/N=C1/S/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)N1C 59104646 SQPPGWSPSLDNAU-RDLACQNYSA-N 394.327 4.933 30 40 GJEB CCCCC1CCC(c2nc(C#N)c(NCC(=O)N3CCC[C@H](C)C3)o2)CC1 61997280 DYEIYXUTDVDLCW-AOCRQIFASA-N 386.540 4.681 30 40 GJEB CCCCC1CCC(c2nc(C#N)c(NCC(=O)N3CCC[C@@H](C)C3)o2)CC1 61997281 DYEIYXUTDVDLCW-WWDZGPRUSA-N 386.540 4.681 30 40 GJEB N#Cc1cccc(OCCCCC(=O)Nc2ccccc2OC(F)(F)F)c1 78875778 RALYUTLHTBCZDM-UHFFFAOYSA-N 378.350 4.645 30 40 GJEB CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cccc1OC 408911709 NZAAGPFCPUARSK-DLTWUOELSA-N 382.485 4.636 30 40 GJEB C=CCN1C(=O)/C(=C/c2c(Cl)cc(Cl)c(O)c2Cl)SC1=S 1176041 UJJTYOLGOBIOHM-WTKPLQERSA-N 380.705 4.740 30 40 GJEB CSc1ccc(Cl)c(C(=O)O/N=C2\CCCc3c2ccc(O)c3C)c1 4474087 AWAQYWVDDGKXFY-HEHNFIMWSA-N 375.877 4.973 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1F 4869769 RXTOYZWXQSFLSG-HJOGWXRNSA-N 395.474 4.533 30 40 GJEB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccccc3n2CCC#N)c(C)c1 12602980 ODACJTCNGHWCBG-KRWDZBQOSA-N 392.528 4.995 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)S2)cc1Cl 408738981 QTOLVZWCIIMNHO-PXNMLYILSA-N 387.848 4.757 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)n2CC)c1C 2634021 MWSWEMMRMBUZLN-UHFFFAOYSA-N 380.517 4.544 30 40 GJEB C=CCn1c(SCc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 5130451 PXGPZIMHRQQRNH-UHFFFAOYSA-N 385.876 4.806 30 40 GJEB Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)c(C#N)c(C)c1C 5172655 PGBPDZLGUDJCIO-UHFFFAOYSA-N 380.300 4.916 30 40 GJEB COc1cc2c(cc1OC)/C(=C/C(=O)C(c1ccccc1)c1ccccc1)NCC2 5322721 ZUAFHSKZPCGPDD-XLNRJJMWSA-N 399.490 4.592 30 40 GJEB COc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1Br 6825421 HLRAOMYJYJGFKE-QGMBQPNBSA-N 399.082 4.985 30 40 GJEB C=CCSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 24908147 CMXZMAMSJWHQBY-IBGZPJMESA-N 394.540 4.764 30 40 GJEB Cc1nnc(CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)o1 26704208 OIAAQZNUHKHXFO-UHFFFAOYSA-N 382.392 4.684 30 40 GJEB C=CCn1c(-c2ccc(OC)cc2)c(C)s/c1=N\c1ccc2c(c1)OCCO2 27027499 UXACBVGBRDNMRL-FCQUAONHSA-N 394.496 4.723 30 40 GJEB CC/N=c1/scc(-c2ccc(Cl)cc2Cl)n1/N=C/c1cccnc1 102960624 GJJFTXVGEYKMFV-NVVCAMKTSA-N 377.300 4.721 30 40 GJEB CCn1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 118916037 CWICEVOQFOQFIA-XMZMUABXSA-N 396.575 4.869 30 40 GJEB O=C(CSc1cccc(/N=C/c2cccnc2Cl)c1)Nc1nccs1 215721138 SGHXZDMPNGPZLL-UFFVCSGVSA-N 388.905 4.673 30 40 GJEB Cc1cc(C)nc(N/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)n1 408843237 FBTUAVAYKQXVEB-NHDPSOOVSA-N 398.308 4.709 30 40 GJEB CC(C)N1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 408907676 OQEPGDCLTGXXQN-ZIGJTDFESA-N 377.469 4.601 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1cc(C)ccc1C 408909930 IYSPJXIISDMPPX-QFAYSNGYSA-N 397.456 4.541 30 40 GJEB COc1cc2c(cc1OCc1ccccc1)C=CN(C(=O)c1ccccc1)[C@@H]2C#N 1757725 CHGSYFDYPZEUAC-JOCHJYFZSA-N 396.446 4.966 30 40 GJEB COCCN1C(=O)/C(=C/c2ccc(SC)cc2)S/C1=N\c1ccccc1 2783023 UOJBQRVMBCLZMP-PTPABZONSA-N 384.526 4.659 30 40 GJEB CCN(CC)c1ccc(N/N=C(/C#N)c2nc(-c3ccccc3)cs2)cc1 4247122 KUHAPIXHTWKBDE-PLRJNAJWSA-N 375.501 4.996 30 40 GJEB COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc(Br)c1O 6380674 QGCOIHQZUHULEK-FARCUNLSSA-N 399.187 4.661 30 40 GJEB C[C@@H](Oc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1)C(=O)O 39557398 FMSRUIMKDWXZBS-XTTRTJGBSA-N 382.641 4.705 30 40 GJEB COc1ccc(/C=C/C(=O)C(C(=O)Nc2ccccc2)=C2SCCS2)cc1 51329875 GBCCQIFYJPAZQY-FMIVXFBMSA-N 397.521 4.608 30 40 GJEB N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N/N=C/c1ccc(Br)o1 96346316 ZXFRBUYGUBWNLL-FILSYIEZSA-N 397.232 4.619 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C(\N=Nc2ccccc2)c2ccc([N+](=O)[O-])o2)cc1 252394313 GJNUUPUZKFKPSG-BAHGXJAQSA-N 380.320 4.654 30 40 GJEB O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4ccccc4)nc3c1)OCO2 1433502 GFTGLXYYEKABOO-SSDVNMTOSA-N 387.351 4.882 30 40 GJEB N#Cc1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCCCCC2 2767770 SYVXJANTGZNFTC-UHFFFAOYSA-N 378.453 4.637 30 40 GJEB Cc1ccc(C[C@@H](C#N)Sc2nnc(Cc3cccs3)n2C2CC2)cc1 7844595 AKKULBLHTSYDCV-SFHVURJKSA-N 380.542 4.801 30 40 GJEB Cc1csc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 8186631 CVYSAJZWAXMFLX-NSHDSACASA-N 377.560 4.773 30 40 GJEB C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nc2sccc2c1=O 12733905 HSACOQNOERJPBK-UHFFFAOYSA-N 395.509 4.900 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 30858378 MUNMGUWNKKABSJ-GOSISDBHSA-N 388.920 4.765 30 40 GJEB COc1ccc(-c2nc(CSCC(=O)Nc3ccc(C#N)cc3)cs2)cc1 40067403 XKWONBJUBOSWHS-UHFFFAOYSA-N 395.509 4.562 30 40 GJEB COc1cccc(N(C(C)=O)c2nc(/C=C3/Cc4ccccc4C3=O)cs2)c1 96924478 VMPLHGJNZIVALJ-WJDWOHSUSA-N 390.464 4.659 30 40 GJEB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N 408624845 CNUANBZEWQWWPZ-UHFFFAOYSA-N 395.509 4.525 30 40 GJEB C#CCn1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc21 409141456 JUWSDMRPHFEDFT-DEDYPNTBSA-N 378.497 4.891 30 40 GJEB C=C[C@]12CCCC[C@H]1N(Cc1ccccc1)[C@@H](P(=O)(OCC)OCC)O2 1547139799 BWFCMPBOHSDSHH-AQNXPRMDSA-N 379.437 4.936 30 40 GJEB N#Cc1c(/N=C/c2ccc(I)o2)sc2c1CCCCC2 2276271 SUHSEOTUFVMKOU-GIJQJNRQSA-N 396.253 4.837 30 40 GJEB CC(C)(C)c1ccc(/C=C2/N=C(SCC#N)N(c3ccccc3)C2=O)cc1 4649082 GCTVGGUPBHWOQK-XDJHFCHBSA-N 375.497 4.985 30 40 GJEB COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br 9195089 NEVMCKCYTUDKEH-UFWORHAWSA-N 388.092 4.888 30 40 GJEB N#CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 9357108 QFKCFOKQCREBCJ-UHFFFAOYSA-N 387.917 4.595 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1F 33602533 WAJKTEAVQQUIDX-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB OC1=NC(=N\c2cc(F)c(F)c(F)c2)/C(=C\c2ccc3nccnc3c2)S1 95480931 WXXAALBSXKVTLM-GIDUJCDVSA-N 386.358 4.779 30 40 GJEB COc1cc(Br)ccc1/N=C/c1cc(Br)ccc1O 102423445 QGKRJBSYITYHGT-CAOOACKPSA-N 385.055 4.676 30 40 GJEB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)c1 408914953 ZXSQHWTUWYHSMK-WYMPLXKRSA-N 390.439 4.668 30 40 GJEB CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(CC)cc1 409320448 BLEXABFLNLLINO-UHFFFAOYSA-N 398.304 4.556 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(C)c2)C2=C(CCCC2=O)N1 4993393 BJPFAKUBLLIFBW-QHCPKHFHSA-N 386.495 4.910 30 40 GJEB C=CCOc1cccc(C(=O)N(CC)Cc2nc(-c3ccc(Cl)cc3)no2)c1 5451014 VYMVINWCNLPBFZ-UHFFFAOYSA-N 397.862 4.617 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 5551219 UHILQVXSJVNFRS-UYRXBGFRSA-N 382.485 4.635 30 40 GJEB CC(C)n1ncc2c(C(=O)Nc3sccc3C#N)cc(-c3ccccc3)nc21 6882366 ARBYOHYUXFDIQI-UHFFFAOYSA-N 387.468 4.865 30 40 GJEB C=CCOc1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 63790942 YSMONBMRKZJGIM-UHFFFAOYSA-N 378.950 4.984 30 40 GJEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3cc(Cl)ccc3C)c2=O)cc1 101591519 VIBCHIQALBQLDJ-SSDVNMTOSA-N 399.903 4.876 30 40 GJEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc3ccccc3c2)cc1 225067240 KIUQWJOWLHSQGO-UHFFFAOYSA-N 379.481 4.786 30 40 GJEB C=CCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC 408610632 QTYZSALFFJNMFS-UHFFFAOYSA-N 393.237 4.543 30 40 GJEB C=CCc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(OCC)c1O 408873944 XPXABBBCHVQSAF-PDGQHHTCSA-N 398.459 4.550 30 40 GJEB CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060009 AYVPXBJVRISSGF-OAQYLSRUSA-N 397.515 4.643 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 5383709 KWCGJTBHOVISKH-YUELXQCFSA-N 388.533 4.600 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 5551694 IWKPMWVNGJWSBO-SXGWCWSVSA-N 376.840 4.769 30 40 GJEB CCCOC(=O)c1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 5864506 CBMKQPVMWGMFQL-UHFFFAOYSA-N 384.439 4.978 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccc1F 6169007 LHEIHBUUEHQUIP-UHFFFAOYSA-N 396.491 4.563 30 40 GJEB C=CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccoc1C 6911122 RDAHFFQJGADJGT-UHFFFAOYSA-N 393.512 4.886 30 40 GJEB C=CCn1c(SCc2cc(F)cc3cccnc23)nc2ccccc2c1=O 31612606 AQMGNVTVRMXDMQ-UHFFFAOYSA-N 377.444 4.562 30 40 GJEB C=CCn1c(=O)n2nc(-c3ccccc3)nc2c2c(-c3ccccc3)csc21 32095555 GIMUJCFFVPJGGJ-UHFFFAOYSA-N 384.464 4.626 30 40 GJEB C=CCOc1ccc(NC(=S)NCc2ccc(OCC)c(OCC)c2)cc1 225529206 KGAWRYFEQYERIJ-UHFFFAOYSA-N 386.517 4.535 30 40 GJEB O=[N+]([O-])c1ccc(O)c(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 408930959 FJMDIXIHHUGKHI-SSDVNMTOSA-N 375.306 4.861 30 40 GJEB Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(C#N)c(C(F)(F)F)n2n1 1398922 ZAANIQOAHYGIIK-UHFFFAOYSA-N 387.390 4.756 30 40 GJEB O=[N+]([O-])c1cc(Nc2ccccc2)c(/C=N/Nc2ccccc2)c([N+](=O)[O-])c1 4543889 RYFDSZUDQQZGHP-DEDYPNTBSA-N 377.360 4.693 30 40 GJEB OC(c1cn2cc(-c3ccc(F)cc3)nc2s1)(C(F)(F)F)C(F)(F)F 12558814 DZIRHNRLUBKLIT-UHFFFAOYSA-N 384.276 4.514 30 40 GJEB Cc1c(/C=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1Cc1ccccc1 13142420 DTSYLCWIQGTBHQ-OYKKKHCWSA-N 385.427 4.747 30 40 GJEB C=CCOc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 30940665 IQZKSHZSSJGOBQ-GOSISDBHSA-N 384.907 4.756 30 40 GJEB O=C(CO/N=C\c1ccc(OCc2ccccc2Cl)cc1)Nc1ccccc1 34868970 MMFQVPDKVBUHMG-OYKKKHCWSA-N 394.858 4.908 30 40 GJEB C#CCN(Cc1ccco1)C(=O)Nc1ccccc1N1CCc2sccc2C1 63391984 BCSXQVMKQOOTCW-UHFFFAOYSA-N 391.496 4.571 30 40 GJEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)ccc1O 101508358 VGVSITJJCYHNJC-FOLIBTTPSA-N 382.485 4.642 30 40 GJEB O=C(/C=C\Nc1ccc(I)cc1)c1ccc(Cl)cc1 103849514 KAJOUJRYHQLTSY-KTKRTIGZSA-N 383.616 4.753 30 40 GJEB C/N=C1\S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C(=O)N1C 208241059 NMVCXQFVGNPFHJ-VCPZLZCMSA-N 377.941 4.594 30 40 GJEB C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccc(Br)cc1 253578011 XTTBXUJRJBDUIE-CIAFOILYSA-N 390.277 4.963 30 40 GJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc4c(c3)OCO4)c2C)cc1 408774836 DDHZWBFCHCDJPT-CFRMEGHHSA-N 390.439 4.750 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 3166248 UKFQYKGFUXLGPQ-AZUAARDMSA-N 399.284 4.768 30 40 GJEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC)c(Cl)c3)S2)cc1 4696387 NNNVPSYCEDYNTI-GZTJUZNOSA-N 388.876 4.639 30 40 GJEB CO/N=C1\C[C@@H](CC(C)C)Cc2nnc(-c3ccc(Br)cc3)cc21 5188676 PLUOYEXHQCXQIK-CKZKCJOCSA-N 388.309 4.865 30 40 GJEB COc1ccc(C(=O)COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 9183923 YQPRSGKQGSEJFA-MTJSOVHGSA-N 392.432 4.635 30 40 GJEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1 20797147 UHMNBZNTNZPTJZ-SFHVURJKSA-N 382.261 4.677 30 40 GJEB O/N=C1\CCC=CCC[C@H]1N1CCN(C(c2ccccc2)c2ccccc2)CC1 23468938 WVTXFAAZYZLSMW-NTTWBBESSA-N 389.543 4.723 30 40 GJEB CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)O)C(=O)O 28538236 KMAOMYOPEIRFLB-GOSISDBHSA-N 385.545 4.902 30 40 GJEB COC(=O)c1ccc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)cc1 96314558 MYEASFFGUAAETJ-LGMDPLHJSA-N 375.449 4.809 30 40 GJEB CCCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N/c1ccccc1 100233417 FPWHAVIJYYFREV-DOGHIQQUSA-N 380.469 4.738 30 40 GJEB COc1ccccc1/C=C/C=C/C(=O)c1ccc(I)cc1 227173655 KEYAGBIKOYBKBP-JHMJBTLWSA-N 390.220 4.752 30 40 GJEB C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCC 408594615 UIDAREBVLGEEAZ-HYARGMPZSA-N 384.432 4.671 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408911292 JWJCIEWFHLWGNP-KDWIEBRMSA-N 397.456 4.623 30 40 GJEB Ic1ccc(/N=C\c2ccc(N3CCCC3)cc2)cc1 408961715 UVPRVAAXFHITEC-UYRXBGFRSA-N 376.241 4.642 30 40 GJEB CC(C)OC(=O)COc1ccc(/C=N/c2cccc(Br)c2)cc1 409188071 WRVONTNLPOQIQD-RGVLZGJSSA-N 376.250 4.530 30 40 GJEB N#Cc1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCCC2 2741315 SDFLIXUCTBSTSR-UHFFFAOYSA-N 375.837 4.703 30 40 GJEB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2ccc(C#N)cc2)c2ccccc2)c1 6887211 NJBXLJXYHDQMPI-JOCHJYFZSA-N 384.435 4.712 30 40 GJEB CCOc1cc(C#N)cc(Cl)c1OCc1nnc(-c2ccc(Cl)cc2)o1 7783942 MMBWBLCZXMFXOD-UHFFFAOYSA-N 390.226 4.893 30 40 GJEB CC[C@@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 18199804 BGWRWLRZVZCMNS-DZGCQCFKSA-N 391.496 4.547 30 40 GJEB CC1(C)CO/C(=C\C(=O)c2ccc(Cl)cc2)N1C(=O)c1ccc(Cl)cc1 36625109 PBZGLLQQAVGKLB-WQRHYEAKSA-N 390.266 4.969 30 40 GJEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CSc2ccccn2)c1 60279594 MAFXPQROEWHDDQ-MRXNPFEDSA-N 389.480 4.652 30 40 GJEB CCCCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)cc1 408897302 RFWZXKAPJDSWBN-RGEXLXHISA-N 382.485 4.766 30 40 GJEB Oc1c(Cl)cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409103028 CQGFPYVCFKCBCB-DENHBWNVSA-N 394.578 4.668 30 40 GJEB Cc1ccc(C)c2nc(SCC(=O)N3CCCc4ccccc43)c(C#N)cc12 1223967 OBOVGCPTCRHUMI-UHFFFAOYSA-N 387.508 4.795 30 40 GJEB aggregator COc1ccc(C2=NN([C@@H](C#N)c3ccccc3O)[C@@H](c3ccccc3)C2)cc1 4178207 BCIUBXDTQNXTMB-PKTZIBPZSA-N 383.451 4.817 30 40 GJEB CCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 4909540 MZYWPTPPLHUUFS-PPPMLJSVSA-N 395.528 4.638 30 40 GJEB COc1cccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1O 5002998 SKLNJCUTPVLOLP-PCLIKHOPSA-N 396.450 4.971 30 40 GJEB COc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1Cl 8334579 FDAWGXDDKBWDAJ-YDZHTSKRSA-N 381.863 4.901 30 40 GJEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 13207875 CTSUNANNKYAALK-IBGZPJMESA-N 393.826 4.712 30 40 GJEB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3sccc3C#N)c12 58157615 HFDGVNOKHNBRCX-UHFFFAOYSA-N 381.505 4.804 30 40 GJEB CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)cc1 95993091 GHUXUNWHJNQMKY-GOSISDBHSA-N 390.531 4.933 30 40 GJEB C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224610082 ZWXLSMKAFBQDAP-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB C=CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225684107 FFVHGHNWBQCLAK-IBGZPJMESA-N 398.528 4.849 30 40 GJEB C=CCOc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409406140 WHVKXYPALTWUCS-UHFFFAOYSA-N 381.435 4.511 30 40 GJEB CC(=O)Nc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)cc1 941789 TXRKAYIFYHQREK-UHFFFAOYSA-N 395.466 4.940 30 40 GJEB CCOC(=O)c1ccc(/N=C/c2ccc(-c3ccccc3C(=O)OC)o2)cc1 6535366 ZPMSVNDBKHAVQI-OEAKJJBVSA-N 377.396 4.661 30 40 GJEB C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 6909015 JEYQBCZRVZPXHV-HXUWFJFHSA-N 392.528 4.861 30 40 GJEB CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 8687176 MZYWPTPPLHUUFS-MJHJUBQXSA-N 395.528 4.638 30 40 GJEB C#CCN1C(=O)S/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O 13880787 BSHMTTSZDSUQIF-STZFKDTASA-N 386.476 4.668 30 40 GJEB COc1cc2c(cc1OC)[C@H](c1ccc(SC)cc1)C1=C(CCCC1=O)N2 18197211 XHLMMQFRASCCBR-NRFANRHFSA-N 381.497 4.990 30 40 GJEB CC(=O)N(c1ccc(C)cc1)c1nc(/C=C/C(=O)c2ccc(O)cc2)cs1 54895009 FDBGMNMCBWLVPF-KPKJPENVSA-N 378.453 4.738 30 40 GJEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(O)cc1 100500565 ZYINUDVVZCHFGU-OWIKPASBSA-N 395.509 4.552 30 40 GJEB C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260587949 CJJMXTMLJNGOSY-RBUKOAKNSA-N 378.516 4.979 30 40 GJEB C=CCn1c(CCCCCCC)nnc1S[C@@H](C)C(=O)Nc1nccs1 408561008 UMSTXLQKXVBRNQ-AWEZNQCLSA-N 393.582 4.553 30 40 GJEB CC(C)NC(=O)c1ccc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc1 609987672 OXVWSPOLAZSKQF-UHFFFAOYSA-N 398.466 4.692 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N([C@H](C)CC)C2=O)cc1Cl 2089504 RWWDIJCAPAIMCM-AHEVQNHNSA-N 384.284 4.840 30 40 GJEB N#Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cccc4ccccc34)C2=O)cc1 3211888 LRTVIEFECDLMGU-MTJSOVHGSA-N 398.443 4.631 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1 5372898 OFGBCFBLNKHIJR-AQTBWJFISA-N 380.469 4.619 30 40 GJEB O=C(C1=C2NC(=O)c3c(sc4c3CCC4)N2Cc2ccccc21)c1ccccc1 5522648 JBOOWZUSZTZFTD-UHFFFAOYSA-N 398.487 4.552 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc(Cl)cc1 6263410 GNMCIIIYGHAWRJ-CQSZACIVSA-N 396.800 4.608 30 40 GJEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1OCC 6387518 MIBXHRIHZKSATD-XMHGGMMESA-N 380.469 4.542 30 40 GJEB CN1/C(=C\C(=O)COc2cccc(Br)c2)C(C)(C)c2ccccc21 18120345 KIQGDLODDXSHEW-UNOMPAQXSA-N 386.289 4.709 30 40 GJEB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(CC2CC2)CC1 19700466 RPTYAVKWQKXMIK-UHFFFAOYSA-N 388.555 4.691 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(C=O)cc3)c2C#N)C1 408599212 GADXOOUWJQTBCQ-HNNXBMFYSA-N 396.512 4.601 30 40 GJEB N#CCc1ccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)c(Cl)c1 1616042881 UCGHBZIAFOPHKJ-UHFFFAOYSA-N 375.806 4.885 30 40 GJEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1 2213102 BHXFSOZVBKNXEG-UHFFFAOYSA-N 396.903 4.860 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccn(C(F)F)n3)c2C#N)C1 2782530 POHVJROAWKQOKR-SNVBAGLBSA-N 378.448 4.615 30 40 GJEB CCOc1cc(/C=N/c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 6961662 XEFMUUSWXKUPSX-XQNSMLJCSA-N 395.480 4.912 30 40 GJEB N#Cc1cccc(OCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)c1 7151353 VWRVJYBCGBIAJJ-OAQYLSRUSA-N 386.476 4.817 30 40 GJEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccncc1)n1c(nc3ccccc31)N2 7496152 VJUNCINGMRSGAV-KOSHJBKYSA-N 392.462 4.847 30 40 GJEB CC1(C)Cc2c(C#N)c(OCCOc3ccccc3)nc(-c3ccco3)c2CO1 12324190 SPFRZLJTJGTDAV-UHFFFAOYSA-N 390.439 4.522 30 40 GJEB COc1ccc(-c2c/c(=N/OC(C)=O)oc3c(C)c4occ(C)c4cc23)cc1 13683641 OLTWVQHPVKRZCD-ATJXCDBQSA-N 377.396 4.850 30 40 GJEB CN1/C(=C\C(=O)CSc2ncnc3ccccc23)C(C)(C)c2ccccc21 16044956 IEIRQPIQFTWXQO-NDENLUEZSA-N 375.497 4.603 30 40 GJEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1 19901590 VFEQGGVHFUTNAA-FQEVSTJZSA-N 381.516 4.761 30 40 GJEB C/C=C1/CN2CC[C@]34C(=C(/C=N/Nc5ccccc5)[C@H]1C[C@H]23)Nc1ccccc14 43766970 OJZNJHNPLYYHOW-FJYMHRLNSA-N 382.511 4.756 30 40 GJEB O=C1CSC(=S)N1/N=C/c1ccccc1OCc1cccc2ccccc12 409340409 WPNVTPRQBVFTJJ-WSDLNYQXSA-N 392.505 4.613 30 40 GJEB OC1(CC#CCN2CC[C@@H](c3ccccc3)C2)c2ccccc2-c2ccccc21 2272402 WSCZYPIZXWKJGE-JOCHJYFZSA-N 379.503 4.786 30 40 GJEB Cc1noc(C)c1CC(C#N)(Cc1c(C)noc1C)c1nc2ccccc2s1 3360813 LXNDSFBYLTXGKG-UHFFFAOYSA-N 392.484 4.753 30 40 GJEB C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccc(C(=O)OCC)cc2)c(O)c1 5164152 GCGOPFKTXUOKJA-UHFFFAOYSA-N 394.427 4.706 30 40 GJEB CC1(C)C[C@@]2(CCO1)/C(=N/c1ccccc1)N=C(S)N2Cc1ccccc1 5625268 KFJWXPDKDQFIKL-QFIPXVFZSA-N 379.529 4.846 30 40 GJEB COc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OC 8367892 SUBYQTQHOQBTSH-VXLYETTFSA-N 395.240 4.676 30 40 GJEB Cc1nc2n(n1)[C@H](c1ccccc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 8559235 HYCQDGXYOKQCBJ-IIBYNOLFSA-N 390.874 4.656 30 40 GJEB C/C(=N\Nc1nc(-c2ccc(C)cc2)c2cc(Cl)ccc2n1)c1ccnn1C 46085319 VSPSDORYMDGEKV-VULFUBBASA-N 390.878 4.828 30 40 GJEB Cc1c(/C=C2\C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4CC[C@]3(C)C2=O)cnn1C 253508529 SGZGWFBJNFOJSO-KBMOJWKMSA-N 392.543 4.823 30 40 GJEB C=CCOc1ccccc1/C=C1\N=C(c2ccc(OCCCC)cc2)OC1=O 409003716 KGHSVGJBFWWDMF-SILNSSARSA-N 377.440 4.775 30 40 GJEB COc1ccc2ccc(OC)c(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2c1 409202044 OGRLKSMRDHMJLJ-NNSJDREZSA-N 398.528 4.946 30 40 GJEB Cc1ccc(CCCN2CCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 585295433 ZEQRXGANYMYVHQ-IBGZPJMESA-N 393.516 4.825 30 40 GJEB C=CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC 2482244 WMBWRKGXNVWFIT-UHFFFAOYSA-N 394.467 4.778 30 40 GJEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 3244936 RABVNOWIDQCLBF-UHFFFAOYSA-N 389.480 4.578 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C(=O)N1CC 4679935 NPKCZJMKUJKCBX-DJOYVXLESA-N 380.513 4.886 30 40 GJEB CCOC(=O)c1sc(NC(=O)c2cc(Cl)sc2Cl)c(C#N)c1C 5145264 OVLVVEOCCUDMIE-UHFFFAOYSA-N 389.285 4.726 30 40 GJEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2sccc2C)C3=O)cc1 5156724 ANLLWWFSFJJFAG-UNOMPAQXSA-N 392.432 4.901 30 40 GJEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5858980 ACMSWQWOYYPPDX-MTJSOVHGSA-N 394.467 4.931 30 40 GJEB C[C@H](SCc1ccc(C#N)cc1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 7717680 IMKRZZGPECDNIB-OLZOCXBDSA-N 395.553 4.975 30 40 GJEB COc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2Cl)NC1=O 13776963 HBBAKORFDZKUFY-NVNXTCNLSA-N 379.268 4.894 30 40 GJEB O=c1oc2ccccc2c(NC2CCCC2)c1N/C(O)=N/Cc1ccccc1 28048865 QZEORSPUDZZOGI-UHFFFAOYSA-N 377.444 4.674 30 40 GJEB CCOc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl 408932319 VOMRCHAFIBHWBE-LPYMAVHISA-N 379.287 4.979 30 40 GJEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3F)c3ccccc32)o1 409392154 LNZUIRUCBSAJGN-MSXFZWOLSA-N 376.387 4.959 30 40 GJEB CS[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 613825534 FWRDLPQBEOKIRE-JUZYFKRNSA-N 388.573 4.936 30 40 GJEB N#Cc1ccc(C2(NC(=O)Nc3cc4c(cc3Cl)CCC4)CCOCC2)cc1 685939094 YMPLHYUQVWHLDZ-UHFFFAOYSA-N 395.890 4.528 30 40 GJEB O=C1Nc2ccccc2SC1=C(C(=O)c1ccccc1)C(=O)c1ccccc1 1656809 ZPFVLYZODDQHMU-UHFFFAOYSA-N 385.444 4.751 30 40 GJEB C[C@H]1Oc2ccccc2C=C1/C=N/Nc1ncnc2sc3c(c12)CCCC3 2419440 FSLTZOADLQUASY-DDFZXGMKSA-N 376.485 4.832 30 40 GJEB COc1ccc(/C=C2\S/C(=N/c3cccc4ccccc34)NC2=O)c(OC)c1 4525038 UKPVZWBNGFIZTA-NDENLUEZSA-N 390.464 4.749 30 40 GJEB CCCCCOc1ccc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 4616108 NJQZKRRXAUBQAL-HZHRSRAPSA-N 392.507 4.603 30 40 GJEB O=C(COc1ccccc1/C=N\Nc1ccccc1Cl)Nc1ccccc1 4647029 SJOMNNVSRZNEAV-UCQKPKSFSA-N 379.847 4.804 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1C 5551191 ASFUDTRYNZRUKB-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nnc1C1CCCCC1 9457239 OIUCPQZNKRPCMK-SJORKVTESA-N 398.576 4.870 30 40 GJEB Cc1sc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)c(C#N)c1C 15229926 ONFGHTZMMFZATN-JJFYIABZSA-N 393.472 4.998 30 40 GJEB O=C(O/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccco1 16526289 CTJGRXROEZDJIM-LVWGJNHUSA-N 396.402 4.541 30 40 GJEB COc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccc(F)cc3)n2)cc1 33011194 DXLPCKOPJNZGDW-UHFFFAOYSA-N 378.428 4.743 30 40 GJEB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)C#N 104815777 JVMUCYDWUTWWED-RBUKOAKNSA-N 397.265 4.779 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2OC)C(=O)N1CC 408915168 PJIMDAJRVZNVHQ-XGHAMVSDSA-N 396.512 4.890 30 40 GJEB C=C(C)COc1ccc2c(=O)c(Oc3ccc(C(=O)OC)cc3)c(C)oc2c1 2101552 MZIIEAXRAUVXFY-UHFFFAOYSA-N 380.396 4.635 30 40 GJEB biogenic Cc1cc(C)c(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C)c1 4670354 UPDSLFVBZXWSED-RWEWTDSWSA-N 382.467 4.831 30 40 GJEB Cc1ccc(Cn2c(SCc3ccccc3C#N)nc3ccccc3c2=O)cc1 5936380 KZPXRKIPNNXSQO-UHFFFAOYSA-N 397.503 4.917 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 20068913 IWJLAKGCKMIQHG-WMZHIEFXSA-N 387.479 4.611 30 40 GJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl 20633188 QQNVXLJJBGTHAQ-LJQANCHMSA-N 379.847 4.708 30 40 GJEB C[C@@H](Sc1ccc(C#N)cn1)C(=O)Nc1ccc(OCc2ccccc2)cc1 24774042 WMDLCSSKPLTKCP-MRXNPFEDSA-N 389.480 4.652 30 40 GJEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C#N 131081960 XGRSKOYDVKHCMH-UHFFFAOYSA-N 398.890 4.686 30 40 GJEB CCCCCCCCCCNC(=O)C(=O)Nc1cccc(Br)c1 408707007 HQSSKSYALARCFD-UHFFFAOYSA-N 383.330 4.645 30 40 GJEB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 408914364 PNSBRRUCPKACQX-FSJBWODESA-N 376.412 4.550 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)C[C@@](C)(CC)OC3 2217811 KOGGOWBTGNYYQC-LJQANCHMSA-N 376.547 4.554 30 40 GJEB N#Cc1ccc(COc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)cc1 10119025 GWBVXEBTPGLDER-CVKSISIWSA-N 375.859 4.914 30 40 GJEB C=CCO/N=C1\C[C@@H](C[C@@H](C)SCC)CC(=O)[C@@H]1/C(CCC)=N/OCC 19204940 WIZFOFCVSLIKJU-IYUATYTISA-N 382.570 4.865 30 40 GJEB COc1ccc(CCNc2nc(CC(C)C)c3c(c2C#N)CCCC3)cc1OC 20588682 WJVIPLRECMOAJG-UHFFFAOYSA-N 393.531 4.702 30 40 GJEB CC[C@H](C)/N=C1/SCC(c2cc(C)n(-c3ccc(OC)cc3)c2C)=NN1C 104907376 CNEVDRNFZXXDSV-OXBTWTFQSA-N 384.549 4.640 30 40 GJEB Cc1cccc(COc2nn(Cc3ccc(Cl)c(Cl)c3)c(N)c2C#N)c1 225847089 XZXFDYSUXXNNKU-UHFFFAOYSA-N 387.270 4.580 30 40 GJEB CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)ccc1O 409246083 DQTJGZVUANGVCS-LMDBJESCSA-N 386.448 4.554 30 40 GJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033587 WWCIEQRQBGQOOB-OAHLLOKOSA-N 395.890 4.795 30 40 GJEB O=C1C=C(/C=C/c2ccccc2)C[C@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])c1 4074172 MRANAJHZPSIXRX-WAUSYEEPSA-N 385.423 4.729 30 40 GJEB C=CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(Cl)cc1 12419755 SPOWIYCQBREUHC-UHFFFAOYSA-N 392.839 4.565 30 40 GJEB Cc1cc(C)cc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(C)cc34)CC2)c1 38653274 XNOZSHBCDQLFBV-UHFFFAOYSA-N 398.510 4.887 30 40 GJEB CCOC(=O)c1c(-c2ccccc2)csc1/N=C/C1C(=O)CC(C)(C)CC1=O 100772846 ZWNJBNLRNAVTDJ-FSJBWODESA-N 397.496 4.869 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 105263925 ODAGNZWITYICME-DIIIROHOSA-N 376.500 4.547 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 2117703 GZAVEAMSTVMUCV-MRXNPFEDSA-N 398.553 4.823 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1C1CCCCC1 3332834 HOYSWYUMOWUBKN-UHFFFAOYSA-N 384.549 4.805 30 40 GJEB O=C1Nc2ccc(Br)cc2/C1=N\Nc1cccc(Cl)c1Cl 4587231 PGBCDAVNKFMJOA-UHFFFAOYSA-N 385.048 4.524 30 40 GJEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 5215708 RGSOQMUKSZKVPW-NHDPSOOVSA-N 390.366 4.670 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCOc2ccccc21 12798878 STHDXYFEFGNBAH-IBGZPJMESA-N 386.476 4.963 30 40 GJEB CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(C(=O)O)cc1 17166992 CTUKXPQQAYRHCQ-ZIARRYFKSA-N 394.496 4.916 30 40 GJEB C[C@@H](OC(=O)c1ccccc1CCc1ccccc1)C(=O)Nc1ccccc1C#N 20993836 IXXCGFOLASUQSU-GOSISDBHSA-N 398.462 4.527 30 40 GJEB C[C@H](NC(=O)c1ccccc1SCC#N)c1ccc(OC(F)(F)F)cc1 36394674 OPGNYMRAKIIWGC-LBPRGKRZSA-N 380.391 4.692 30 40 GJEB C=CCn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1C 42157343 HUVQPKALEWIRNB-UHFFFAOYSA-N 380.473 4.564 30 40 GJEB CCCCCCC[C@@H](O)CCC(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C 101456517 MQUGSQVEZVTACL-RTBURBONSA-N 377.525 4.675 30 40 GJEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccccc2F)cc1 408804132 WEXMBTBQULKEPE-OYKKKHCWSA-N 378.403 4.602 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C 674464 NGMPDSNYYFJLLQ-NRFANRHFSA-N 397.515 4.641 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1 4189389 ABOQERGRBXORKG-ZQBYOIRZSA-N 396.874 4.571 30 40 GJEB COc1ccccc1NC(=O)c1c(/N=C/c2cccnc2)sc2c1CCC2 4545638 ZJVHUQTYJYGKCZ-YDZHTSKRSA-N 377.469 4.643 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc(O)cc1 5376348 WTPQJXKPIQUUCQ-AUWJEWJLSA-N 398.793 4.956 30 40 GJEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 12250931 JIZVXNOCXRDFOH-UHFFFAOYSA-N 377.444 4.799 30 40 GJEB N#Cc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 24357905 IHQFBCLINBISSV-DHDCSXOGSA-N 384.823 4.538 30 40 GJEB N#Cc1ccc(OCc2cccc3ccccc23)c(I)c1 226324911 XTEMMMLNTTZWQP-UHFFFAOYSA-N 385.204 4.895 30 40 GJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1Br 408708071 GOJOMAYAUMOTMJ-UHFFFAOYSA-N 397.357 4.953 30 40 GJEB CCOc1ccc(/N=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2CC)cc1 409143680 HZGSWOGRVAIFLK-HYHOCUEZSA-N 388.920 4.933 30 40 GJEB CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)cc1 6112219 LXHVRJGRDKLPDJ-DTQAZKPQSA-N 395.499 4.617 30 40 GJEB N#Cc1ccc(CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1 6907524 JWYSQGPLLPDOEZ-UHFFFAOYSA-N 375.478 4.611 30 40 GJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 20633158 DASVLCPOFJWJJP-LJQANCHMSA-N 379.847 4.708 30 40 GJEB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(/N=C2/C=C(O)C(=O)c3ccccc32)cc1 39379210 HHUZEGXVVUZZPD-ZWQQDAMOSA-N 388.467 4.849 30 40 GJEB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC#Cc1ccccc1 45065836 KCJGBLMOPDGRAQ-UHFFFAOYSA-N 385.250 4.738 30 40 GJEB CCCCSC1(SCCCC)N=C(N)[C@@]2(C#N)[C@H]3C=C[C@H](CC3)[C@]12C#N 57063767 IKXHYTTVFRPNQZ-ISARSNTHSA-N 388.606 4.694 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)cc1C 408814477 HBYPMLQKTGCYHN-NDENLUEZSA-N 375.497 4.995 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)o1 702753 VIVXHCAMNMMZOQ-SFHVURJKSA-N 397.814 4.613 30 40 GJEB O=C(Oc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 4387237 LBJQVJZPOBGIRD-LPYMAVHISA-N 395.802 4.913 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/[C@@H](c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1 5104741 ADTARSVEFZEDHH-ZVCOJXFSSA-N 382.401 4.794 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cccc(C)c1 8086190 JOIWRIKUXWGLQP-UHFFFAOYSA-N 392.528 4.733 30 40 GJEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139676 FTFSMWLCUWYJOK-UHFFFAOYSA-N 392.890 4.511 30 40 GJEB CCCCCn1cnnc1S[C@@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 12607034 LPBATCNLJXDWFH-RZKQZQCBSA-N 398.576 4.830 30 40 GJEB CCOC(=O)Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccc(C)cc1 16751485 QRRNZMKUFWOPOH-CIAFOILYSA-N 396.472 4.839 30 40 GJEB Cc1ccc(/N=C2\C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)cc1 17180294 MWGKLMRVOZHXHJ-GFMRDNFCSA-N 380.407 4.593 30 40 GJEB CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 32932913 PGHDDIPSOFKHRP-LBPRGKRZSA-N 383.300 4.637 30 40 GJEB Cc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 32984100 YTVGAFMDHVXWCX-UHFFFAOYSA-N 375.449 4.645 30 40 GJEB O=C(O)c1ccc(COc2ccccc2/C=N\c2cccc([N+](=O)[O-])c2)cc1 408852976 XWUUUKDCRISVGH-XKZIYDEJSA-N 376.368 4.623 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccn1-c1ccc(O)cc1 409084253 CFLLUECSVQOQRW-SSDVNMTOSA-N 390.321 4.556 30 40 GJEB CC(C)Oc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385215 RXDZCGNOPJFBFT-PCLIKHOPSA-N 383.451 4.733 30 40 GJEB C=CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2053784 UHOJKBFVIQRGSJ-SSDVNMTOSA-N 394.327 4.556 30 40 GJEB O=C(c1cccc(Br)c1)N1CCCS/C1=N\c1ccccc1 3483711 CKKLAIHNHAQOHY-ZPHPHTNESA-N 375.291 4.716 30 40 GJEB CCOC(=O)c1c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)sc(C)c1C 4150639 NLRUZEWTQUOFDP-CNHKJKLMSA-N 382.825 4.559 30 40 GJEB O=[N+]([O-])c1cccc(N/N=C/c2cn(-c3cccs3)nc2-c2ccccc2)c1 4917914 VJWBLHXYJCMAPC-FYJGNVAPSA-N 389.440 4.955 30 40 GJEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O 5163254 NNGCSRTUOREKIW-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)S2)cc1 16291626 DSPGOBVUIMXIMZ-CPNJWEJPSA-N 388.496 4.689 30 40 GJEB Cc1sc(-c2ccco2)nc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 89556205 KZUSOLVIKMXMLX-UHFFFAOYSA-N 392.465 4.959 30 40 GJEB COc1ccccc1N1CCN([C@@H]2CCCCCCCCCC/C2=N/O)CC1 104860905 AMYYZRYNOUGJFK-SSXUBFHHSA-N 387.568 4.931 30 40 GJEB Fc1cccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)c1 408930960 FJPAVPBVQNEGHQ-YZSQISJMSA-N 390.458 4.992 30 40 GJEB N#Cc1ccccc1COc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 408931887 RPDIKEOWGIMCJV-OVVQPSECSA-N 397.478 4.724 30 40 GJEB CC(=O)c1ccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1 409035500 JDKHFMOVJJFLLR-KTZMUZOWSA-N 396.262 4.863 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccn1-c1ccc(F)cc1 409074299 PSVNCLFGWHLYFT-FOKLQQMPSA-N 392.312 4.989 30 40 GJEB Oc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083811072 STCURFGHKWUXRK-UHFFFAOYSA-N 392.164 4.875 30 40 GJEB CCN(CC)c1ccc(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)cc1 4820263 UQMRGADRPWVGRH-KOEQRZSOSA-N 388.519 4.689 30 40 GJEB COCCN1C(=O)/C(=C\C(C)=C\c2ccccc2)S/C1=N\c1ccccc1 5826457 HWSAHUPKPVVIOT-GHIUWQEPSA-N 378.497 4.883 30 40 GJEB C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccccc1O 12342954 YEYMNXROLRKWEP-ITYLOYPMSA-N 383.495 4.504 30 40 GJEB C/C(=N\OCc1ccccc1)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O 101160960 GLBRNZCSXNFRNY-JJIBRWJFSA-N 376.456 4.607 30 40 GJEB C=CC/N=C1/S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCCCCCC1 101193970 AGYQMWONSBMISV-VCGVYRDQSA-N 399.560 4.614 30 40 GJEB C/N=C1\Sc2nc3c(cc2CN1C1CCCCC1)c(C)nn3-c1ccccc1 257316776 VGYSLQXWIXIQPS-FCQUAONHSA-N 391.544 4.955 30 40 GJEB COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2ccccc2)NC1=O 409245635 WUZVQASORIMNMZ-ZHZULCJRSA-N 393.512 4.577 30 40 GJEB CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060449 NRYAXAONQQGPNQ-NRFANRHFSA-N 397.515 4.643 30 40 GJEB Fc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 4478005 ICYCMEHHAFFZMN-BUVRLJJBSA-N 399.433 4.944 30 40 GJEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1cc(Br)c(O)c(Br)c1 5504673 FGDWJASBDSWETK-HUSMWSMPSA-N 390.119 4.514 30 40 GJEB C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccoc1C 6911156 HGYVWTMYPFHPPA-UHFFFAOYSA-N 392.484 4.797 30 40 GJEB CCCCC1CCC(C(=O)ON2C(=O)c3cccc4cccc(c34)C2=O)CC1 11024221 LKSRCWMFGPJYNQ-UHFFFAOYSA-N 379.456 4.891 30 40 GJEB CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1ccccc1F)C2=O 20646838 VZQLMGIVGXDZRR-XKZIYDEJSA-N 389.426 4.780 30 40 GJEB COc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1OC 59461339 CWZLGWIGNVBLLO-WQQBQYIPSA-N 382.441 4.894 30 40 GJEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 102802057 TXEAFEDTYBCINN-MOBKVPTQSA-N 399.446 4.630 30 40 GJEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1cccc(F)c1 408959680 DAZUBYUTIVHCHT-CUVVSLBBSA-N 381.476 4.660 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1Cl 5653809 XZXSWAKPUIJIIR-YBEGLDIGSA-N 376.840 4.769 30 40 GJEB COc1ccc(/C=C/C(=O)c2ccc3cc(OC)c(OC)cc3c2)cc1OC 6411643 NEHAEPDYYDEXLS-WEVVVXLNSA-N 378.424 4.770 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 9088527 RVYKDIHUSQYUJY-OAQYLSRUSA-N 387.410 4.917 30 40 GJEB C=CCSc1nnc(NC(=O)c2ccccc2OCc2ccccc2)s1 16008403 QSRCMLSAKHCIHQ-UHFFFAOYSA-N 383.498 4.648 30 40 GJEB CC(=O)[C@@H]1[C@H](c2ccc(OC(C)C)cc2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 16037894 WTCVWOQOQLSCBX-RBZQAINGSA-N 397.478 4.590 30 40 GJEB Cc1ccc[n+](/C(C(=O)c2cccc(Cl)c2)=C(/S)NCc2ccccc2)c1 23817566 CANVRVMCUYMTIH-UHFFFAOYSA-O 395.935 4.665 30 40 GJEB CC(=O)Nc1cccc(/N=C2\NN=C(c3sc4ccccc4c3C)CS2)c1 26144223 QPRKFDZVNUWDMF-UHFFFAOYSA-N 394.525 4.896 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(C)cc1 408811242 AGPXZTDWSGJCRV-MOSHPQCFSA-N 379.481 4.969 30 40 GJEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1 408907943 CQQQMOWATMGUSC-RERTVAKNSA-N 390.508 4.885 30 40 GJEB COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(C)c1 408960454 FWSFPEINWXTFOE-FSJBWODESA-N 377.396 4.799 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C#N)C1 993969 LLKFVWKTKQYFLL-VIFPVBQESA-N 375.837 4.558 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C#N)C1 997472 UVTZTJIZLXOAHD-ZDUSSCGKSA-N 383.473 4.931 30 40 GJEB Cc1cccc(N/N=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 4175327 LLNNFERDKRZJGJ-UQQQWYQISA-N 386.436 4.565 30 40 GJEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 5201231 GKPQKDCKSSZERD-DNVJHFABSA-N 397.902 4.739 30 40 GJEB C=CCN(C(=O)c1cnc(-c2ccccc2)s1)c1nc2c(s1)CCCC2 40129724 ZISSVUKGZZJXAD-UHFFFAOYSA-N 381.526 4.978 30 40 GJEB N#Cc1cc(C#N)c(SC(c2ccc(F)cc2)c2ccc(F)cc2)nc1N 60582911 WECIWRFWBZCTJO-UHFFFAOYSA-N 378.407 4.567 30 40 GJEB N/C(S)=N/N/C(=C\c1nc(-c2ccccn2)cc2ccccc12)c1ccccc1 103758561 IOGMQHVSQAZFRU-HKWRFOASSA-N 397.507 4.544 30 40 GJEB COc1cc(/C=N/n2c(C(C)C)n[nH]c2=S)ccc1OCCc1ccccc1 5444200 CKZOOFGFBLDHLQ-HYARGMPZSA-N 396.516 4.576 30 40 GJEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(Cl)ccc1Cl 5451810 RQRRVQCEPAKPHN-UHFFFAOYSA-N 388.254 4.872 30 40 GJEB O=C(c1cc(F)c(F)c(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101475374 SASBREAJYAXMSR-UHFFFAOYSA-N 378.112 4.755 30 40 GJEB C=C1S/C(=N/c2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C1(C)C 104207187 YUWIDEGVONMHDA-XDJHFCHBSA-N 396.303 4.720 30 40 GJEB N#Cc1c(N)nc(SCc2cccc3ccccc23)nc1Cc1ccccc1 223665439 VHFGZTOKABQDSE-UHFFFAOYSA-N 382.492 4.967 30 40 GJEB CC(=O)[C@]12CCCC[C@H]1C[C@@H]1[C@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C 253501305 ZNSPUNVBZGKQFL-CDDBXODPSA-N 386.576 4.897 30 40 GJEB biogenic,in-vitro CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1Br 408706859 GENWQPQSFSUKIT-UHFFFAOYSA-N 383.330 4.645 30 40 GJEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1cccc2ccccc12 409103604 CRHLBNWJKJWPPK-ZVHZXABRSA-N 385.427 4.997 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)c(Cl)c3)o2)SC1=S 2067861 JEDUGIMSZADTNQ-MHWRWJLKSA-N 391.901 4.996 30 40 GJEB COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)c1 5150000 FPFKVCHELUQPFC-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1O 8108934 LEMTZVFPRFYROB-WQRHYEAKSA-N 399.443 4.505 30 40 GJEB Cc1cccc(/N=C2\C(=O)N(CN(C)C3CCCCC3)c3ccccc32)c1C 14922844 DEUFNMLVHLSSNO-BZZOAKBMSA-N 375.516 4.993 30 40 GJEB Cc1ccc2nc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)[nH]c2c1 25330195 FVJDCSRVHXDYIO-NDENLUEZSA-N 377.513 4.844 30 40 GJEB N#Cc1ccc(F)c(CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 26460014 WIXQSXOQTVPVQW-SFHVURJKSA-N 392.261 4.607 30 40 GJEB C=CCOc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409401679 DZYZHPGTWKDPLM-UHFFFAOYSA-N 381.435 4.511 30 40 GJEB Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C#N)c1C 870716 OBDBWOKYHBKSPF-UHFFFAOYSA-N 393.443 4.880 30 40 GJEB CN(C)c1ccc(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)cc1 12463839 PKJCSGIWHUQQBX-HMAPJEAMSA-N 379.533 4.853 30 40 GJEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 21037323 CUQRXPSHEIEUGE-OEAKJJBVSA-N 392.411 4.733 30 40 GJEB CCCCCCC[C@H](O)CCC(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C 101456511 MQUGSQVEZVTACL-MOPGFXCFSA-N 377.525 4.675 30 40 GJEB C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 224926361 ULHNLXDUVWWTEZ-UHFFFAOYSA-N 375.465 4.528 30 40 GJEB CC(C)=N/N=C1\NC(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)S1 255187869 HGYLERPCNTUKHY-WQRHYEAKSA-N 399.903 4.875 30 40 GJEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)SC1=S 409347824 RJFVBSGTOSJHTH-UVTDQMKNSA-N 383.922 4.525 30 40 GJEB O=C(/C(=C/c1ccccc1)C(=O)C(F)(F)F)c1ccc(Br)cc1 409358807 MDTHXFCZWQUWQH-UVTDQMKNSA-N 383.163 4.847 30 40 GJEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@@H](CC(C)C)CC(=O)O3)C1=O 1081802652 QSAHKSFATIFXCT-BKQORJHRSA-N 378.424 4.750 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1Cl)c1ccco1 1440012 SDKQWBBEBXXKRY-GOSISDBHSA-N 379.799 4.716 30 40 GJEB CC(/C=N/NS(=O)(=O)c1ccc(C)cc1)=C(c1ccccc1)c1ccccc1 1709846 LHGFQSFCOSIWLH-JJIBRWJFSA-N 390.508 4.781 30 40 GJEB CC(=O)C1=C(C(F)(F)F)N(c2ccccc2)C(=S)N[C@@H]1c1ccccc1 8429703 JRTDDHKPTABBHQ-MRXNPFEDSA-N 376.403 4.528 30 40 GJEB N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 65569226 RQGGPVSTVMWPOS-FQEVSTJZSA-N 391.268 4.840 30 40 GJEB Cc1ccccc1/N=C\c1cc(Br)c(I)o1 408955333 WXVMZKHILSDOBI-CHHVJCJISA-N 390.018 4.706 30 40 GJEB CCCc1ccc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 585295283 SSVCZXJRRWXOHU-QFIPXVFZSA-N 387.487 4.974 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1C1CCCCC1 2660634 XWEWULGZIYCHOP-UHFFFAOYSA-N 396.560 4.731 30 40 GJEB N#Cc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 4672722 SQFOKRCELGOREJ-NVNXTCNLSA-N 390.411 4.983 30 40 GJEB CCCC/N=C1/S[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1CCCC 4715540 FCMSKGDXQLSHAS-QQMHEVNUSA-N 395.956 4.569 30 40 GJEB CC(=O)c1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1 4849097 XQPDBPROJBRSGB-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB N#CCCOC[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 5377123 GJIOBJXBJWRYBP-JMOVZRAMSA-N 383.917 4.768 30 40 GJEB C=CCNC(=S)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 6295797 JQFLTZHAKJRQAD-YSMPRRRNSA-N 398.535 4.827 30 40 GJEB COc1ccc(-n2c(SCc3cccc(C#N)c3)nc3ccccc3c2=O)cc1 9845443 VKGKSKBSBANGRF-UHFFFAOYSA-N 399.475 4.558 30 40 GJEB N#Cc1cccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccccc2)c1 31079784 BITJIQAFCXPXEP-UHFFFAOYSA-N 382.872 4.607 30 40 GJEB COCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)cc1 44027661 AWTUVCLMEYHERR-NYYWCZLTSA-N 395.480 4.643 30 40 GJEB Cc1ccc(/N=C2\C(=O)N(CN3CCc4ccccc4C3)c3ccccc32)cc1C 100102038 NGQKQWZTMYVVMG-RFBIWTDZSA-N 395.506 4.787 30 40 GJEB CC(=O)[C@@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 118919135 ZNSPUNVBZGKQFL-OOYSXHGUSA-N 386.576 4.897 30 40 GJEB N=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[C@H]1c1nccs1 138166466 HFCOTTIOCGPIDR-SMHQWKPTSA-N 397.437 4.729 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253508610 ZZCLFVCHZVPTRZ-IHGYHAMNSA-N 396.575 4.869 30 40 GJEB Cc1ccc(/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1C 408819626 ZTISIECLSIZNIN-PKAZHMFMSA-N 386.495 4.792 30 40 GJEB CC[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C#N)C1 995172 IAAJFZLCWYPHIY-SNVBAGLBSA-N 389.864 4.949 30 40 GJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc4c(cc32)OCO4)cc1 18190661 XZYSBVMGYAAXNN-OAQYLSRUSA-N 377.440 4.625 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C)o1 19972787 VXYBIPPBUMGPBO-QKKBWIMNSA-N 397.496 4.574 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc2ccccc12 27995491 DIRMYOCNMZSLFV-NRFANRHFSA-N 387.410 4.743 30 40 GJEB CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)c1C#N 32970262 FFXYUZFSARYKCQ-SWLSCSKDSA-N 381.501 4.541 30 40 GJEB N#Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)sc2c1CCC2 84502125 WWNMHRYOEWSLCY-CHWSQXEVSA-N 376.403 4.869 30 40 GJEB O=C(CN1CCS/C1=N/Cc1ccccc1)c1ccc(Cl)c(Cl)c1 96901488 KWBVYIULQOVUJM-DYTRJAOYSA-N 379.312 4.781 30 40 GJEB CCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccccc1 100550854 ZXMNHEQMEIEJGC-FCHUYYIVSA-N 391.552 4.991 30 40 GJEB C=CCn1c(S)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 107597864 KRUWGZQJBJJEHR-CQSZACIVSA-N 399.347 4.577 30 40 GJEB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)/C(=C\c2cccs2)C1=O 408989605 UGXNDBQTOKQMSA-DHDCSXOGSA-N 394.279 4.932 30 40 GJEB Cc1ccc(OCCCCSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 5238208 GZQQHUZMPVKGOS-UHFFFAOYSA-N 391.496 4.568 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(C)cc1 5500214 AIRNJKUNDSDAGC-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB CC[C@@]1(C)NC(=O)N(/N=C/c2c3ccccc3c(Cl)c3ccccc23)C1=O 6168364 DCXDYLZVNLJGNP-OVRHDEQLSA-N 379.847 4.701 30 40 GJEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1ccc(F)cc1 13770008 NAVJNRPILMBAFI-UHFFFAOYSA-N 390.265 4.718 30 40 GJEB Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCCCCCCCC/C2=N\O)cc1 19690981 NMOXKTQEEUIXBA-NHFXJNLRSA-N 380.554 4.729 30 40 GJEB C=CCn1c(SCC(C)C)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 2361850 HDBMLBDYLHMKBJ-IBGZPJMESA-N 378.563 4.634 30 40 GJEB CC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 4915354 BIACYXKTHFWFEX-JOHJSAGNSA-N 385.920 4.893 30 40 GJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(Br)o1 5376729 URTNAUNFXAKKPQ-YRNVUSSQSA-N 383.654 4.587 30 40 GJEB Cn1cccc1/C=C1/S/C(=N\c2ccc(Cl)cc2C(F)(F)F)NC1=O 5376813 OWUTXKRYJGVCGD-MDWZMJQESA-N 385.798 4.589 30 40 GJEB O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2C(F)(F)F)c1O 6863737 BATWNAYHYDCNGP-FBCYGCLPSA-N 389.127 4.832 30 40 GJEB COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(Cl)cc1Cl 8267867 UGEMZHIGKKLZMG-HCNBXMNPSA-N 380.227 4.734 30 40 GJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Br)cc2)cc1 36353949 DWLAOCFKKVTLLK-INIZCTEOSA-N 393.244 4.630 30 40 GJEB CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1 36611490 VVLSUGRNFTWKJJ-UFWORHAWSA-N 397.287 4.669 30 40 GJEB CCn1cc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cn1 36612966 GRGPFDIQHWNPSQ-QLHFDWSDSA-N 390.531 4.940 30 40 GJEB CCCCN(C)CN1C(=O)/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc21 55121112 GQKWNUMQOPCEHE-PLRJNAJWSA-N 389.421 4.862 30 40 GJEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 219808329 TVMWBURSXPSSJD-UHFFFAOYSA-N 380.513 4.843 30 40 GJEB CCOc1ccc2ccccc2c1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409041236 ZWXMQUAWMHJWKF-OPVMPGTRSA-N 382.279 4.952 30 40 GJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 808039 CYULLFRAVQRMSA-QGZVFWFLSA-N 375.472 4.532 30 40 GJEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c1C 995707 WWMKCMODIULCDC-UHFFFAOYSA-N 397.544 4.960 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccc(C)cc1 8363026 NJOGJHQZBJAYQF-ZIGJTDFESA-N 377.469 4.521 30 40 GJEB CCCCCCCCCOc1ccc(/C(C)=N/N=C2\NC(=O)CS2)cc1 8432688 QTIYTFWSQGRWBU-CJLVFECKSA-N 375.538 4.759 30 40 GJEB C=CCn1c(-c2ccccc2)c(NC(C)=O)s/c1=N\c1ccccc1OC 26770725 WFAJTJLYUGGCFP-LNVKXUELSA-N 379.485 4.602 30 40 GJEB CCc1ccc(/N=C2/S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2CC)cc1 30755582 XHHXZMZPNUMYKC-MPIQAULUSA-N 379.529 4.939 30 40 GJEB CCCCCCCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O 97951812 KMAMXVOATBWUNC-UHFFFAOYSA-N 384.520 4.972 30 40 GJEB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1sc2c(c1C#N)CCCC2 101114012 DOVIPLHGNQPNGK-LDADJPATSA-N 390.512 4.834 30 40 GJEB C#CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC 209468620 VSAJVDNFZUJWMZ-XMHGGMMESA-N 395.505 4.503 30 40 GJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)cc1 8654592 HWORGLIISGOIRM-UHFFFAOYSA-N 377.444 4.930 30 40 GJEB aggregator CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCC(C)CC3)c2C#N)C1 14193635 VNMMUWCWVGAJQQ-MRXNPFEDSA-N 387.593 4.831 30 40 GJEB C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1c[nH]c2ccccc12 19682469 CTKVQQDTOWYBLG-VEILYXNESA-N 392.506 4.889 30 40 GJEB Cc1occc1-c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1 35767487 ZMXFXQQGIUGGAD-WQRHYEAKSA-N 395.484 4.611 30 40 GJEB Cc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c([N+](=O)[O-])c1 59302085 JQYSHJVXRZVCCW-VCHYOVAHSA-N 378.226 4.610 30 40 GJEB N#CCn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 408901851 HWSGRRWLTHKGMG-LDADJPATSA-N 375.478 4.571 30 40 GJEB Cc1ccsc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O 409305082 LOGJKKFYFJGQFP-UHFFFAOYSA-N 390.306 4.535 30 40 GJEB C=CCNc1cc(C[S@](=O)c2ccc(Cl)cc2)nc(-c2ccccc2)n1 3104758 WMHATTUSVQOXNH-AREMUKBSSA-N 383.904 4.703 30 40 GJEB N#Cc1c(NC(=O)CSc2ncnc3ccccc23)sc2c1CCCCC2 3244971 JOCGLVMQAPDOKF-UHFFFAOYSA-N 394.525 4.563 30 40 GJEB CCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(C(C)C)cc3)NC2=O)cc1 6168761 ZOBVTAAHDWVZDL-BTVXTAIASA-N 379.529 4.537 30 40 GJEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3ccccc3)S2)cc1 6319167 MZMROXMAYSIAON-HMMYKYKNSA-N 389.480 4.768 30 40 GJEB CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccn2)cc1 9763886 QQSXAEHFWZWEJY-FQEVSTJZSA-N 388.423 4.581 30 40 GJEB CCO/N=C(\C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O 101160923 LMNDPHVADJOLID-LFVJCYFKSA-N 376.456 4.533 30 40 GJEB C/N=C1\S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C(=O)N1C 208475592 ZOFFAMLORMOXRU-ZYAYQGAHSA-N 375.925 4.504 30 40 GJEB C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 224669920 CFRIUQUTXFPNMA-UHFFFAOYSA-N 375.799 4.740 30 40 GJEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3ccc4[nH]ccc4c3)n2)cn1 585295294 TXUOQTIJNGHNFR-QHCPKHFHSA-N 394.482 4.910 30 40 GJEB COC(=O)c1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 4359380 XARFXLZKZRWNLV-OEAKJJBVSA-N 390.395 4.711 30 40 GJEB N#C/C(=N\Nc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 4834548 ZBSCKMUBYDVCMD-PXLXIMEGSA-N 383.274 4.912 30 40 GJEB O=C(/C=C/[n+]1cccc(Cc2ccccc2)c1)c1ccc(Br)cc1 5279175 XHISVXFFHBFRJK-WYMLVPIESA-N 379.277 4.681 30 40 GJEB C=CCOc1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)ccc1OC 5514417 ZDDXWXDYPHNAAW-ZHZULCJRSA-N 385.419 4.758 30 40 GJEB C=CCn1c(SCc2nc(-c3ccccc3)oc2C)nc2ccccc2c1=O 12471492 BAZJBBBLWOKQJS-UHFFFAOYSA-N 389.480 4.838 30 40 GJEB O=C1N/C(=N/c2cccc(Cl)c2)S/C1=C\c1cc2c(cc1Cl)OCO2 15015823 BKUUQMHRLUTBTD-WCSRMQSCSA-N 393.251 4.614 30 40 GJEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccccc3OC)C(=O)N=C2S1 97964973 QDNRMWAUPAPXIY-ASILOXTGSA-N 384.505 4.675 30 40 GJEB CCOc1ccc(/C=N/N2C(=O)CS/C2=N\c2ccc(C(C)C)cc2)cc1O 98064812 JPVKAEAQPDSQAA-FNUFSRGGSA-N 397.500 4.511 30 40 GJEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1 408750134 XQCPKFINRYMNJS-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB CC1=C(Br)C(=O)C(c2c(C)cc(C)cc2C)=C(Br)C1=O 1752863 UFDJRTVHQYGYKO-UHFFFAOYSA-N 398.094 4.539 30 40 GJEB N#Cc1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 3219579 FCNGKIHQOSNKAM-UHFFFAOYSA-N 380.403 4.660 30 40 GJEB Fc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 4478006 ACWDIQLMLPUFAP-BUVRLJJBSA-N 399.433 4.944 30 40 GJEB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 44973484 RSUGNIJRZKUJOE-MRXNPFEDSA-N 394.544 4.762 30 40 GJEB Cc1cc(C)c2c(c1)/C(=N/Nc1nc(-c3ccccc3)c3ccccc3n1)C(=O)N2 46085377 UTJNJRAHXFIAGQ-UHFFFAOYSA-N 393.450 4.682 30 40 GJEB CCc1ncc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 68412942 XLOLTUVVJCPQNE-VIFPVBQESA-N 381.404 4.824 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 102799878 GWWNBVJONRISQG-NHFXJNLRSA-N 381.447 4.828 30 40 GJEB Cc1nn(C)cc1/C=N/N=C1\CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 105389213 QSCIZHIRAXFDOO-MELCRFDHSA-N 390.531 4.765 30 40 GJEB N#C[C@@H](C(=O)CCC(=O)[C@H](C#N)c1ccccc1Cl)c1ccccc1Cl 1613812 GMNPUVLIRBJBNW-HZPDHXFCSA-N 385.250 4.826 30 40 GJEB COc1ccc(C(=O)Nc2cccc(/C=C3\COc4ccccc4C3=O)c2)cc1 3400688 JJSUSZHHCKDVBR-QGOAFFKASA-N 385.419 4.606 30 40 GJEB Brc1cccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)c1 4679518 BYUGWPXCAMBWEC-ZVBGSRNCSA-N 387.306 4.779 30 40 GJEB Cc1nc(N/N=C/c2cc(C#N)n(C)c2C)c2cc(-c3ccccc3)sc2n1 6049358 AOIYBQMYYRYYCV-FSJBWODESA-N 386.484 4.631 30 40 GJEB N#Cc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 12634857 UEKKNFKNFCMDLS-UHFFFAOYSA-N 387.443 4.632 30 40 GJEB O=C1/C(=N\O)c2cc(Cl)cc(Cl)c2N1CCCOc1ccccc1Cl 46084948 BLNJQOZYLYCTHP-QNGOZBTKSA-N 399.661 4.641 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(N3Cc4ccccc4C3)cc2)C(=O)N1CC 103543062 LXAYHSDRNJLGRR-JDJFWADASA-N 377.513 4.519 30 40 GJEB CN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O 409044737 OWXYYWSWUZHUPQ-UHFFFAOYSA-N 392.282 4.742 30 40 GJEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccccc1 409058502 PADXSLCKZZPPFB-CIAFOILYSA-N 381.457 4.515 30 40 GJEB O=C(O)c1cc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1O 409247840 OHHGPLJCVRSYBV-DHRITJCHSA-N 388.398 4.983 30 40 GJEB COc1cc(/C=N\c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)o1 409385504 MROZHXCTJBQFPQ-JJFYIABZSA-N 385.803 4.969 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccc(C)c(C)c1 4664385 YTNYUKLNDJFQBU-NVTWWLNUSA-N 391.496 4.830 30 40 GJEB Cc1cc(N/N=C/c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc2n1 5158775 DGAHWHXLYSBJKB-VXLYETTFSA-N 385.221 4.660 30 40 GJEB O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCCCC1 16524150 FTMHXFWXUOVYBB-PLRJNAJWSA-N 387.405 4.616 30 40 GJEB Cc1nn(-c2ccccc2)c(C)c1C(=O)/C(O)=N/c1nc(-c2ccco2)cs1 47171708 YYOUQSMUYLBZMX-UHFFFAOYSA-N 392.440 4.677 30 40 GJEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C#N 225778955 URMQHTGSAADKGL-UHFFFAOYSA-N 398.890 4.687 30 40 GJEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)s1 225845588 UZTCNNMHOGWVBI-OAHLLOKOSA-N 385.514 4.766 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(F)c1 408629144 LUTRJYBVYLLJMP-UHFFFAOYSA-N 384.366 4.723 30 40 GJEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(N2CCCC2)cc1 408960427 LQCRDIXVIVGEQH-PDGQHHTCSA-N 383.904 4.832 30 40 GJEB C=CCc1cc(/C=C2/SC(=O)NC2=O)cc(OCC)c1OCc1ccccc1 1012964 IPOFSGPOMAOLOJ-CPNJWEJPSA-N 395.480 4.717 30 40 GJEB CCOc1ccc2c(c1)S/C(=C1\Sc3cc(OCC)ccc3C1=O)C2=O 4705992 VMXWZRNWXZSSCE-VXPUYCOJSA-N 384.478 4.973 30 40 GJEB CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 5072441 DEXMWPWCKJZPOT-ROUUACIJSA-N 394.519 4.597 30 40 GJEB COc1cc(Br)cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1O 5841347 UXBZHDUWGQNTRB-KEBDBYFISA-N 391.265 4.508 30 40 GJEB N#CCOc1ccccc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 6251728 KJXQTARERORJMT-JRXWSOMVSA-N 391.246 4.610 30 40 GJEB C=CCOc1ccc(-c2nn3c(-c4ccc(F)c(Cl)c4)nnc3s2)cc1 13718703 RUGZCPOLROBTQK-UHFFFAOYSA-N 386.839 4.877 30 40 GJEB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 19855516 NCYLXMPRWGDVFU-OAQYLSRUSA-N 394.515 4.562 30 40 GJEB C=CC/N=C/[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)OCC)C1 25953092 DAPOQCKOSVNOIF-QKIXXSFTSA-N 396.512 4.539 30 40 GJEB C=CCn1c(SCc2ccccc2)nc2c(-c3ccccc3)cn(C)c2c1=O 33267934 JHXVTUQRMFLQRW-UHFFFAOYSA-N 387.508 4.880 30 40 GJEB Cc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c(C)n1-c1nccs1 36762611 IZCZHVKLBFYROK-UHFFFAOYSA-N 398.491 4.598 30 40 GJEB Cc1ccc2nc(N/N=C3\C(=O)Nc4c(C)cccc43)nc(-c3ccccc3)c2c1 46085376 KFGLKTSDHGTWAF-UHFFFAOYSA-N 393.450 4.682 30 40 GJEB O=C(/N=C1\c2ccccc2CN1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 103436811 WBEWLIFMXNCJTL-DARPEHSRSA-N 390.826 4.676 30 40 GJEB O/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 103841393 NUKHRDSOJQJXLQ-CAOOACKPSA-N 385.055 4.599 30 40 GJEB COc1ccccc1/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408803377 OEZBWGHMDDTITD-SAHIIKMKSA-N 388.467 4.702 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1 993924 IYGFYQAAUZVGPL-JTQLQIEISA-N 375.291 4.759 30 40 GJEB Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)c1 6851416 CTTPPYHCRLGSAL-UHFFFAOYSA-N 398.875 4.609 30 40 GJEB COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc(Cl)c1OC(C)C 15597940 GQQUENLFYIWWTM-UHFFFAOYSA-N 379.243 4.913 30 40 GJEB C[C@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2c[nH]c4ccccc24)C3=O)C1 20650772 CSQCFVSYVANDJX-PWKYRQDESA-N 388.467 4.722 30 40 GJEB CC(C)(C)C(=O)[C@H]1[C@@H](c2ccccc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 35895376 NWFHFVVSRPURLP-YPAWHYETSA-N 399.469 4.968 30 40 GJEB CCOc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)ccc1OCC(C)C 57622565 UIXHQIMPLRLXGA-LPYMAVHISA-N 396.516 4.923 30 40 GJEB CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 217347527 ZNSPUNVBZGKQFL-XZLGYTFLSA-N 386.576 4.897 30 40 GJEB Cc1ccc(/N=C2\C(=O)N(CN3CCC(C)CC3)c3ccccc32)c(Cl)c1 226761973 HIPYTULRMWKMEK-FLFQWRMESA-N 381.907 4.805 30 40 GJEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 408535830 XBUYQKBIOHLGQG-SFQUDFHCSA-N 398.465 4.565 30 40 GJEB CCOC(=O)c1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 408860261 ZKZORURXDJZMED-NDENLUEZSA-N 391.265 4.570 30 40 GJEB CC/N=C1/S/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C(=O)N1CC 408932453 XESHVKFYOVLTKY-AURQRCEASA-N 396.940 4.838 30 40 GJEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(F)cc3)c3ccccc32)o1 409391697 JNCANNDFJURSDI-WYMPLXKRSA-N 376.387 4.959 30 40 GJEB N#Cc1cc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)ccn1 1556464393 RKRYJBAAZXZKQJ-UHFFFAOYSA-N 381.357 4.569 30 40 GJEB COc1ccc(-c2csc(/C(C#N)=N/Nc3cc(Cl)ccc3OC)n2)cc1 4175548 GADDORKVOBTZLW-LFVJCYFKSA-N 398.875 4.820 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccccc1 4458332 DEJXYMRMJRHVIF-KAXIZBKFSA-N 397.525 4.689 30 40 GJEB O=C(/C=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(Br)cc1 35188688 CDDBMBXUMCWFRE-ZZXKWVIFSA-N 382.597 4.612 30 40 GJEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)c(C)c1 59138041 IVDNUIIBRYIPQY-AQTBWJFISA-N 381.501 4.778 30 40 GJEB CCCCCCCCS(=O)(=O)N/N=C(\CCCC)c1cc(C)ccc1O 100955152 SZUIZZNTEQFOEC-XUTLUUPISA-N 382.570 4.875 30 40 GJEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)N1C 103586617 BVDVVLQKNHVSNP-KGJCRGFQSA-N 394.327 4.933 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)S2)cc1C 408959551 AVBCQCYNHDSGPE-ZHZULCJRSA-N 377.513 4.795 30 40 GJEB CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409274274 CKYGELGXYMFMQL-UHFFFAOYSA-N 375.472 4.725 30 40 GJEB C#CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O 981591 BSHMTTSZDSUQIF-KGENOOAVSA-N 386.476 4.668 30 40 GJEB C=CCOc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)cc1OCC 4628348 AAEWGHDWXQIQAS-XSFVSMFZSA-N 376.456 4.765 30 40 GJEB Cc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(NCc2ccccc2)n1 4853182 CVUDZOLZXRMGPE-MFKUBSTISA-N 383.455 4.702 30 40 GJEB COc1ccc(-c2nnc(SC[C@H](C#N)CCC#N)n2C2CCCCC2)cc1 7193557 KAOGTLRCBPEIAO-INIZCTEOSA-N 395.532 4.995 30 40 GJEB COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2onc(C)c21 13570745 FZLOCQYXMVLZCW-OPAMFIHVSA-N 386.451 4.950 30 40 GJEB CCN(CC)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196250 HJDOVWQZUYNRHH-QHCPKHFHSA-N 390.483 4.826 30 40 GJEB COc1ccccc1CN/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 20762980 ZGHLLPOGPIAXIX-AFUMVMLFSA-N 394.446 4.546 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S 40006204 SDZGVOQZFAQLHP-LDADJPATSA-N 385.485 4.792 30 40 GJEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 101247109 DKGPZKHWDJYAMG-GROYHEBESA-N 388.250 4.601 30 40 GJEB Cc1ccccc1Oc1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1 409386506 UWRPBLMGUJVPFG-VULFUBBASA-N 383.451 4.978 30 40 GJEB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 609514353 UUARXLBAQFFNIQ-QFIPXVFZSA-N 399.450 4.731 30 40 GJEB COc1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)cc1 5004564 UBLXKHSNMZWWCM-WSDLNYQXSA-N 389.367 4.868 30 40 GJEB O=C1N=C(/C(=C\c2ccco2)C(=O)c2ccccc2)S/C1=C\c1ccco1 5601049 GUACXVKDCCSVJD-MZGHLJKDSA-N 375.405 4.852 30 40 GJEB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccccc1C#N 6207431 OWLBICCAPYVAPD-UHFFFAOYSA-N 380.513 4.697 30 40 GJEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 12406392 QCMPXYKQOSHORG-SXCYCHHDSA-N 376.456 4.731 30 40 GJEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1C1CCCCCCCCCCC1 12523897 AZYBHQBSVNHCSY-UHFFFAOYSA-N 380.536 4.748 30 40 GJEB COc1cc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc(OC)c1 15075876 ZKWONXBLJVJPDA-UHFFFAOYSA-N 390.464 4.979 30 40 GJEB C=CCN(CC=C)CN1C(=O)/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc21 19202130 NHVYPTJFEKBQHR-LHLOQNFPSA-N 399.416 4.804 30 40 GJEB N#Cc1ccc(N2CCC(C(=O)Nc3ccc4oc5ccccc5c4c3)CC2)nc1 25283060 XMOQNOUILJOYCJ-UHFFFAOYSA-N 396.450 4.708 30 40 GJEB C=C(C)c1nc(C#N)c(N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)o1 27562352 LRXGTQLGUOOCCF-ZMOGYAJESA-N 388.427 4.613 30 40 GJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\Cc3ccc(OC)cc3)c2C)c1 408966705 NQOOWFWMKRZKEA-XYGWBWBKSA-N 390.483 4.899 30 40 GJEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@]2(C)CC2(F)F)cc1 596715117 ZNSDTZTYYCHHLC-IBGZPJMESA-N 387.386 4.526 30 40 GJEB O=C(Nc1nc2ccccc2s1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2295083 HUFIMYARSMSWCM-UHFFFAOYSA-N 396.234 4.703 30 40 GJEB CCc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(C(C)C)cc3)NC2=O)cc1 6168758 ZOBVTAAHDWVZDL-RXULLKCLSA-N 379.529 4.537 30 40 GJEB O/N=C/c1cc2ccccc2c[n+]1Cc1ccc2ccccc2c1Br 6886026 GAWFLWGVAHYMAV-UHFFFAOYSA-O 392.276 4.899 30 40 GJEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 7496146 KVTHBDHWGIPBLS-MHECFPHRSA-N 392.462 4.847 30 40 GJEB O=C1C=CC2=[N+]([O-])C(c3ccccc3)(c3ccccc3)/C(=N\c3ccccc3)C2=C1 17192952 AYZXZPXOQBNTBL-RFBIWTDZSA-N 390.442 4.733 30 40 GJEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O 409152882 GLBIYCUANVGYIR-CXUHLZMHSA-N 388.370 4.814 30 40 GJEB Cc1cc(C)c(/N=C2\S[C@@H](CC(=O)Nc3ccccc3C)C(=O)N2C)c(C)c1 1411586 MHXNTXDZCFLSEX-LWVPEANGSA-N 395.528 4.510 30 40 GJEB CCOc1cc(/C=C/C(=O)c2cc(OC)ccc2OC)cc(Cl)c1OC 7744892 JWFKLBLZWDRKAA-SOFGYWHQSA-N 376.836 4.661 30 40 GJEB CCOC(=O)c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1 10118800 LSOBLGBTNLMTCG-ZVHZXABRSA-N 382.847 4.900 30 40 GJEB CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1ccc(C)cc1C 12930121 JKQCTHFSNRKYJF-UHFFFAOYSA-N 377.469 4.895 30 40 GJEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(-c4ccccc4)c(C)nn32)cc1 13121907 VGIJBSDBXIZIEJ-HSZRJFAPSA-N 385.467 4.889 30 40 GJEB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)c2ccccc2C1=O 59490084 QPQVMNLYEWKRSS-MRXNPFEDSA-N 390.439 4.826 30 40 GJEB CCCCOC(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 100037632 MAHJYTPCAWRLSP-UDWIEESQSA-N 376.250 4.862 30 40 GJEB C=CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(OC)c(OC)c2)c1 225720870 SDTITXJKQDAIRO-GOSISDBHSA-N 386.517 4.706 30 40 GJEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1ccc(F)cc1)C2=O 2409091 DBTDCTQPURDPEO-CIAFOILYSA-N 390.366 4.670 30 40 GJEB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc(C(C)(C)C)c1 3235786 VXIZKGKJKUCDSI-UHFFFAOYSA-N 392.499 4.949 30 40 GJEB COc1cccc2cc(-c3csc(N/N=C(\C)c4ccccc4)n3)c(=O)oc12 4844265 LQNFSQHCAOBFBL-YDZHTSKRSA-N 391.452 4.761 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc(-c2ccccc2Cl)o1 5322476 QHEFELKSIFTQDS-IBGZPJMESA-N 394.862 4.850 30 40 GJEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1Cl 13482272 FHZZHPHDGIXIOR-FOPRYUNUSA-N 396.874 4.571 30 40 GJEB CSc1nc(NCCc2ccc(F)cc2)c(C#N)c(-c2ccc(C)cc2)n1 19820753 PPUHVAFDWCVCMF-UHFFFAOYSA-N 378.476 4.839 30 40 GJEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cccc2ccccc12 19959811 LXSNQWVYAFEUPA-ADLMAVQZSA-N 398.388 4.718 30 40 GJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 20633161 DASVLCPOFJWJJP-IBGZPJMESA-N 379.847 4.708 30 40 GJEB C=CCn1c(-c2ccccc2)c(NC(C)=O)s/c1=N\c1ccc(OCC)cc1 27015950 SXYDLAIZYKBVFY-GYHWCHFESA-N 393.512 4.992 30 40 GJEB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1sc2c(c1C#N)CCCC2 101148866 DPTLRVFMVKZVFI-XDHOZWIPSA-N 390.512 4.834 30 40 GJEB COc1cccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(Cl)cc2)c1 102947694 WBARVNWTAAMMFW-DARPEHSRSA-N 376.843 4.956 30 40 GJEB N#C/C(=N\Nc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 5023280 IEPILLJSSONROZ-PXLXIMEGSA-N 383.820 4.711 30 40 GJEB CC1(C)CC(=O)C(Br)=C(Nc2ccc(OC(F)(F)F)cc2)C1 5190238 QDIWKBQZEHVCBS-UHFFFAOYSA-N 378.188 4.993 30 40 GJEB Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 8559201 DFEQCQJUIIRKLP-HRAATJIYSA-N 390.874 4.656 30 40 GJEB COc1ccc(CN/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC 20196179 OILUPDYUBUXUOT-MFKUBSTISA-N 377.488 4.543 30 40 GJEB COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OC(C)C 59105818 BEGFCGQBRKPGLJ-WOJGMQOQSA-N 386.448 4.513 30 40 GJEB CCn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 71785074 PROOCHLOKDKNMI-QGUAZNJLSA-N 376.500 4.727 30 40 GJEB COc1ccccc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1 100290615 PROLZSJUYUKJEE-PXLXIMEGSA-N 380.469 4.555 30 40 GJEB CCCCCCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1 101122378 DWEKWSAKQDDCFW-LGMDPLHJSA-N 391.489 4.547 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(OC)cc1 103614341 YQJYKJUZXUKQEQ-OWIKPASBSA-N 397.525 4.689 30 40 GJEB C[C@]12C[C@H](F)[C@@]3(Br)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(C)O 118932251 YONXONMPECKFJO-HAXSJCRZSA-N 397.328 4.511 30 40 GJEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 408844177 HEBMDLXKQYGFGG-CHHVJCJISA-N 395.267 4.599 30 40 GJEB C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409121871 YRLSNIKVHGALGL-DHDCSXOGSA-N 389.816 4.521 30 40 GJEB Cc1c(/N=C/C(Br)=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 1501778 UGNWTBCPOIOSID-MGJRNWPKSA-N 396.288 4.623 30 40 GJEB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)cc1C 3234931 VALOXIRNMRZRNN-UHFFFAOYSA-N 395.513 4.501 30 40 GJEB Sc1nnc(-c2ccccn2)n1/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 3347418 KHPKGWRBABOIPZ-ZVHZXABRSA-N 396.479 4.659 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1C1CCCCC1 6313066 YEWNJZDCLPZYDZ-UHFFFAOYSA-N 392.475 4.521 30 40 GJEB Cc1cc(C)nc(N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)n1 7782759 OOPNAQQCQZBJBB-UDWIEESQSA-N 398.561 4.715 30 40 GJEB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cccc(C#N)c1 7979448 UVAIDHILESKOFD-UHFFFAOYSA-N 395.256 4.853 30 40 GJEB Cc1ccccc1N/N=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 38205854 QEEOCQZKZHKCKL-KOEQRZSOSA-N 386.436 4.565 30 40 GJEB CC1=CC(C)(C)N(C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 208436236 QJXPYMAUWZPIBS-CIAFOILYSA-N 395.419 4.581 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)nc2ccccc21 408692529 OMGCPTYUBQEGRN-LPYMAVHISA-N 389.415 4.979 30 40 GJEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccccc1C 409057423 PUXUXTGPVIAGEY-WSDLNYQXSA-N 395.484 4.824 30 40 GJEB Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1564568367 YLNZLGBBFRRMQU-UHFFFAOYSA-N 399.416 4.884 30 40 GJEB CCOC(=O)c1nnsc1Nc1ccccc1/N=C/c1ccc(Cl)cc1 1417033 AJXZNULLSHHYNR-RGVLZGJSSA-N 386.864 4.862 30 40 GJEB CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC(C)C 2354680 ZSDYFFIJQCRNHI-KRWDZBQOSA-N 382.508 4.595 30 40 GJEB COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)cc(OC)c1OC 6180790 NFUDRZTYBLIJBK-LFVJCYFKSA-N 376.456 4.753 30 40 GJEB Cc1ccc(N2C(=S)N/C(=N\c3ccccc3)[C@@]23CCOC(C)(C)C3)cc1 6275955 PCWPOZZSKHAUBN-QFIPXVFZSA-N 379.529 4.748 30 40 GJEB C=CCSc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 12654695 QOMOFTARJLANFX-UHFFFAOYSA-N 385.876 4.598 30 40 GJEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1c[nH]c3ccccc13)C2=O 20646957 MEZKOXOGDHXLFS-MTJSOVHGSA-N 376.456 4.722 30 40 GJEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C#N)c1 225772691 SXEWFCZTYTVOFN-SFHVURJKSA-N 392.499 4.731 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 1354826 LWRXACBOILTPQI-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc(C)c1 4685307 FXFQLTQSEZRDKA-STZFKDTASA-N 399.446 4.927 30 40 GJEB O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)Cc2ccccc21 6044763 XGEIVVMFYCCTLY-VZUCSPMQSA-N 394.062 4.740 30 40 GJEB CCCOc1c(I)cc(/C=N/c2ccccc2)cc1OC 6880748 HHQLYDDKYSFDHG-XDHOZWIPSA-N 395.240 4.839 30 40 GJEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 6948982 AJIHUHFMGCQWCW-UHFFFAOYSA-N 390.826 4.674 30 40 GJEB Cc1cccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2CC(C)C)c1 9328211 COWKNJJWIQPFPH-UHFFFAOYSA-N 390.512 4.756 30 40 GJEB CCSc1nncn1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 36611513 CSRLZRCDQDMEDT-ZVBGSRNCSA-N 390.896 4.715 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OCC 409021204 ZALWZBQACIWSGM-JASJWYONSA-N 393.892 4.586 30 40 GJEB COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(Br)o3)nc1-2 409045609 ZVAAXMDAYJRNLR-LSCVHKIXSA-N 375.247 4.829 30 40 GJEB O/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 409054395 FTYBZNPVMLLGEJ-CAOOACKPSA-N 385.055 4.599 30 40 GJEB CC(=O)ON(Cc1c(O)ccc2ccccc12)Cc1c(O)ccc2ccccc12 4706078 LQLWUSWKJFCCCQ-UHFFFAOYSA-N 387.435 4.885 30 40 GJEB Cc1csc([C@@H](C#N)C(=O)CSc2nc3cc(Cl)ccc3s2)n1 6605995 QVNOMVGUJZBOGS-JTQLQIEISA-N 379.919 4.683 30 40 GJEB C=CCn1c(S[C@@H](C(C)=O)c2ccccc2)nc2sc(CC)cc2c1=O 8745763 UAKLTKOWCWTTKU-KRWDZBQOSA-N 384.526 4.629 30 40 GJEB O=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1Cc1cccc2ccccc12 13617652 UOHHSEYZSQJBOQ-VCASSKIBSA-N 393.899 4.959 30 40 GJEB Clc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1 19771553 UFRLNPZBGTZJEO-WSDLNYQXSA-N 382.722 4.799 30 40 GJEB CC(=O)Nc1sc(N/N=C\c2cccc(O)c2)nc1-c1ccc(Cl)cc1 32694297 QXLWHZCOXFQPFQ-JMIUGGIZSA-N 386.864 4.574 30 40 GJEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 36067258 XKQCHQWFGMRSRH-LPYMAVHISA-N 383.473 4.672 30 40 GJEB C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 96265827 GIXGEMXCTUFNCR-UHFFFAOYSA-N 397.862 4.617 30 40 GJEB NC(=O)COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 197492921 QVVHXWMXSGAUSV-JFLMPSFJSA-N 388.511 4.769 30 40 GJEB O=[N+]([O-])c1cc(/C=N\c2cccc(I)c2)ccc1Cl 409076212 ZRBUIRUBGJSQJP-PXNMLYILSA-N 386.576 4.603 30 40 GJEB CC/N=C1/S/C(=C\c2ccc(N3Cc4ccccc4C3)cc2)C(=O)N1CC 995413 LXAYHSDRNJLGRR-GSSCTWANSA-N 377.513 4.519 30 40 GJEB C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 1634550 FCWYNTDTQPCVPG-XLRKYUMYSA-N 382.500 4.941 30 40 GJEB endogenous,in-man Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)Cc3ccccc3)C2=O)o1 2203065 FISYOVNORJFMDA-MTJSOVHGSA-N 375.424 4.542 30 40 GJEB Cc1oc2cc3oc(=O)c(CC/C(O)=N/Cc4ccccn4)c(C)c3cc2c1C 4000235 HVKRKFBBXAFBCA-UHFFFAOYSA-N 390.439 4.949 30 40 GJEB biogenic COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5998942 XTACPMJBYYAWPB-VLWLMIQISA-N 393.222 4.550 30 40 GJEB CC(=O)C1=C(C(F)(F)F)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1 8429704 JRTDDHKPTABBHQ-INIZCTEOSA-N 376.403 4.528 30 40 GJEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1cccc(Br)c1 12602569 TYIXSTAGRVTXTI-OINPPHAGSA-N 390.281 4.531 30 40 GJEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)c1 17747852 HMGBGWHBIVTXDW-COPMAWBXSA-N 395.528 4.611 30 40 GJEB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 66037420 JHPNVKRHLXMOHQ-INIZCTEOSA-N 388.423 4.765 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])c(C)c3)o2)SC1=S 1415994 BUPBTDVTZWKHGV-MHWRWJLKSA-N 386.454 4.550 30 40 GJEB C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1 2362376 XBFIOIKUYITNJZ-UHFFFAOYSA-N 389.933 4.745 30 40 GJEB N/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 4898110 VSYJVUSQNQNVIX-UHFFFAOYSA-N 395.256 4.593 30 40 GJEB O=C(O)c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 4963596 FBJSOOOJXVOJAL-LPYMAVHISA-N 388.452 4.745 30 40 GJEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O 5186593 JZXAESKBKJKTKB-LGQZLYSRSA-N 393.222 4.550 30 40 GJEB Cc1ccc(C)c(N/C(S)=N/[C@H](C)[C@@H](c2cccs2)N2CCOCC2)c1 23182190 BYQUCLIJNMMBOX-APWZRJJASA-N 389.590 4.525 30 40 GJEB CCCCOc1ccc(/C=N/Nc2nc3ccccc3nc2Cl)cc1OC 32647146 CEUDNSAGBYSVNF-LPYMAVHISA-N 384.867 4.917 30 40 GJEB CCNC(=S)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 33666635 KVNYTDABTFYAGW-ZMOGYAJESA-N 397.931 4.890 30 40 GJEB O=[N+]([O-])c1ccc(OC(F)(F)C(F)(F)F)c(OC(F)(F)C(F)(F)F)c1 68590898 RMCCQUWYFJAPPY-UHFFFAOYSA-N 391.117 4.663 30 40 GJEB biogenic CC(=O)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C#N)c1 225760484 GSBFMMZQSQGMQI-UHFFFAOYSA-N 376.456 4.633 30 40 GJEB CC(=O)c1cccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1 1354212 PZVUUBXVRBRLEU-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB CCc1c(C#N)c(SCC(=O)c2ccccc2)nc2c1C(=O)CC(C)(C)C2 2485454 ISEVPFXKNORCKH-UHFFFAOYSA-N 378.497 4.646 30 40 GJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033588 WWCIEQRQBGQOOB-HNNXBMFYSA-N 395.890 4.795 30 40 GJEB C/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-n2ccnc2)cc1 5072807 QZEYZMFTOQGDFB-BHGWPJFGSA-N 379.773 4.776 30 40 GJEB CCOc1ccc(-c2nnc(SCCCC#N)n2-c2ccccc2F)cc1 6831461 PNUSCLMJICEDBC-UHFFFAOYSA-N 382.464 4.868 30 40 GJEB COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 10219580 GTACTNMBFCPBPK-CYBMUJFWSA-N 386.542 4.874 30 40 GJEB COc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2C)cc1OC 44843728 OKTJJPOTIVKOFE-CMDGGOBGSA-N 376.250 4.583 30 40 GJEB Cc1noc(C)c1C/C(O)=N/c1nc([C@H](C)c2ccc(CC(C)C)cc2)n[nH]1 95477053 RDJKFIGQAMFACL-CYBMUJFWSA-N 381.480 4.591 30 40 GJEB CCOc1cc(/C=N/c2nnc[nH]2)ccc1OCc1ccc(Cl)cc1Cl 100226448 QZKYMYXZOLVHQA-ZVBGSRNCSA-N 391.258 4.840 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2F)n1CC 408560472 IZMUBFCQOSFMAH-UHFFFAOYSA-N 378.517 4.681 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)cc1 408589386 LNRAIXOKQHELHK-WYMPLXKRSA-N 375.428 4.713 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC 408812224 CVYPQKJUVNQUFX-AQTBWJFISA-N 381.453 4.673 30 40 GJEB FC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccc(Br)cc1 1565662381 QWYULOZBSSWEGT-UHFFFAOYSA-N 387.064 4.999 30 40 GJEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@H]2c1ccc(O)c(O)c1 885440 PTEANTCCUVBVHX-QHCPKHFHSA-N 386.451 4.956 30 40 GJEB COc1ccc2nc(SCC(=O)Nc3cccc4ccccc34)c(C#N)cc2c1 917557 CSKVZQUHOWTRHU-UHFFFAOYSA-N 399.475 4.999 30 40 GJEB N#Cc1c(/N=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)sc2c1CCCC2 3043338 OOMXCUAOENQGSW-FOKLQQMPSA-N 392.436 4.913 30 40 GJEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccccc1 9232244 ZYAOUGCXACENCR-UHFFFAOYSA-N 399.402 4.769 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 15011756 XPTKJDQWLKNSED-LDADJPATSA-N 390.420 4.536 30 40 GJEB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647796 QFNGHOHNIJFVEL-LDADJPATSA-N 375.409 4.640 30 40 GJEB CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 937272 JEYCKUZMIHXEKX-SUMWQHHRSA-N 395.528 4.533 30 40 GJEB CCOc1ccc([C@H]2C(C(=O)C(C)(C)C)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 2561532 LPNJCMLABFXSDO-GOSISDBHSA-N 397.515 4.628 30 40 GJEB COc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(OC)c2)C3=O)cc1 5907743 DFINTGMIGZFUBI-QRVIBDJDSA-N 388.419 4.899 30 40 GJEB biogenic CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 13654450 ZEHGGQSDVNZFMC-QBWRGEQUSA-N 378.424 4.580 30 40 GJEB COc1ccccc1CN/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 20761859 YUBHQFPNBCKCDJ-WSDLNYQXSA-N 385.807 4.641 30 40 GJEB Cc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3ccccc3S2(=O)=O)cc1 32984142 NVYVNLRPAQSIEN-UHFFFAOYSA-N 389.476 4.953 30 40 GJEB N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 78947402 YUGYIXSVRKEQNS-ZWKOTPCHSA-N 387.252 4.500 30 40 GJEB C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219819479 FHNGVXIEGSZLAR-UHFFFAOYSA-N 379.485 4.595 30 40 GJEB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C#N)c1 225677422 YYAIUOISFNVDEJ-UHFFFAOYSA-N 393.443 4.706 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)S2)cc1C 409096266 JJJOOPQHQJBDMH-MOSHPQCFSA-N 395.503 4.934 30 40 GJEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1 409108131 VGCZMVPTKMBGDJ-AUEPDCJTSA-N 375.306 4.505 30 40 GJEB COc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409218092 YMAPCDYBHSOFCG-HZHRSRAPSA-N 395.480 4.830 30 40 GJEB CSc1nc(Cl)c(/C=N/OC(=O)Nc2ccc(Cl)cc2)c(Cl)n1 2570671 CGWNIRREBYOCTB-UBKPWBPPSA-N 391.667 4.741 30 40 GJEB COc1ccc(C/C(O)=N/c2nc(SCc3ccc(Cl)cc3)n[nH]2)cc1 3441045 BFWZSFYTFHFMDX-UHFFFAOYSA-N 388.880 4.590 30 40 GJEB CCOc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(Br)c1OC 5128607 KVSQZFRGZUROHR-RUDMXATFSA-N 379.225 4.892 30 40 GJEB CCc1ccc(C(=O)/C(=C(/S)Nc2cccc(OC)c2)[n+]2ccccc2)cc1 6566391 VHKMYQWUQMMGTQ-UHFFFAOYSA-O 391.516 4.596 30 40 GJEB S=C(N/N=C/c1cccc2ccccc12)Nc1ccc(Br)cc1 6644458 MZBWNNYGRXJLCN-UDWIEESQSA-N 384.302 4.923 30 40 GJEB CC(C)c1ccc([C@@H](NCC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 31069918 ARJUJIIKWADRBS-JOCHJYFZSA-N 395.572 4.893 30 40 GJEB Cc1ccc(N2C(=S)N(/N=C/c3ccccc3)C(=O)[C@@H]2c2ccccc2)cc1 35681864 QUTWQCYPGPJMAZ-DOZBRYHWSA-N 385.492 4.704 30 40 GJEB C=CCn1c(CCCCCCC)nnc1SCC(=O)N(C)c1ccccc1 408560175 CQHJHZNIXXBRRV-UHFFFAOYSA-N 386.565 4.732 30 40 GJEB O=C(O)c1ccc(COc2cccc(/C=N\c3ccc([N+](=O)[O-])cc3)c2)cc1 409073060 XARJLDLWOOCNGD-XKZIYDEJSA-N 376.368 4.623 30 40 GJEB CCCC(=O)C1=C(Nc2ccc3ccccc3c2)CC(C)(C)[C@H](C(=O)OC)C1=O 1279870 CEBVJCQHOBKEMA-NRFANRHFSA-N 393.483 4.663 30 40 GJEB CCOC(=O)c1c(/N=C(\N=C(\C)O)NC2CCCCC2)sc2c1CCCC2 4293472 XIKGUOHVCXGKDJ-UHFFFAOYSA-N 391.537 4.690 30 40 GJEB biogenic CN(Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O 20503206 IZYDUKGRIQDCAW-NDENLUEZSA-N 377.465 4.702 30 40 GJEB Cc1cccc(Cn2cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)c1 33869293 ISVYNHMMZNORLU-MSXFZWOLSA-N 385.427 4.747 30 40 GJEB O=[N+]([O-])c1ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103596373 NYZPOLWSVOBZDN-UHFFFAOYSA-N 385.182 4.832 30 40 GJEB C#CCn1c2nc(-c3ccccc3)c3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 170622720 GPTVDSAHMNKCBC-SFHVURJKSA-N 393.490 4.612 30 40 GJEB N#Cc1c(N)nc(SCc2ccccc2Cl)nc1Cc1ccc(F)cc1 223679025 MEHSWDMSOYSPRI-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB Cc1ccc(Cl)cc1N/N=C1\C(=O)N(C2CSC2)c2ccc(Cl)cc21 223738537 MJRFUYHLCWKAEZ-XLNRJJMWSA-N 392.311 4.580 30 40 GJEB N#Cc1c(OCc2cccc3ccccc23)nn(Cc2ccc(Cl)cc2)c1N 225840707 HGTHLZJLQAZQDS-UHFFFAOYSA-N 388.858 4.771 30 40 GJEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1c[nH]c2ccccc12 408752450 HXDQOQSYHYTJJF-FRKPEAEDSA-N 398.831 4.621 30 40 GJEB COC(=O)c1sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C#N)c1C 688826 DSBZFQWJWBKSCM-DHZHZOJOSA-N 382.485 4.664 30 40 GJEB C=C(C)CSc1nnc2c3c4c(sc3nc(SC)n12)C[C@H](C)CC4 1306705 GINJVHAPXBTHMJ-SNVBAGLBSA-N 376.576 4.854 30 40 GJEB CC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2c1ccc(F)cc1 3624015 ZESZNGSAWOYYTQ-UHFFFAOYSA-N 377.263 4.581 30 40 GJEB CCOc1cc(/C=N/Nc2ccc(C)cc2)c(Br)cc1OCC#N 6402481 RWNVVSRUPLJRNP-CIAFOILYSA-N 388.265 4.505 30 40 GJEB N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc1 8131997 ZKGUCCUGZUTYNF-UHFFFAOYSA-N 383.879 4.610 30 40 GJEB Cc1ccc(N/N=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)c1 33735511 WLUVUAYCQUQLIV-HAVVHWLPSA-N 377.429 4.675 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OCCCC)c(OCC)c2)SC1=S 59255065 GSASVXDDRNUYFB-GHRIWEEISA-N 377.531 4.651 30 40 GJEB CN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/C1CCCCC1 100545920 VLXYRGUQDLQCPV-GZPGGVKTSA-N 393.965 4.945 30 40 GJEB C=CCSc1nnc(NC(=O)c2ccccc2CCc2ccccc2)s1 223740537 YCQMIDRQXYLRHQ-UHFFFAOYSA-N 381.526 4.854 30 40 GJEB Cc1cc2c(cc1/C=C1\SC(=Nc3ccc(Cl)cc3C)NC1=O)OCO2 408879839 HEUQIWAAKOQDBE-IUXPMGMMSA-N 386.860 4.577 30 40 GJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc(F)cc1 408965353 KOLDUDSBVLWHIU-LDADJPATSA-N 381.407 4.647 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)S2)cc1 409070409 GEDIAFRCFYPWRC-ZHZULCJRSA-N 395.503 4.880 30 40 GJEB Cc1cc2oc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc(=O)c2cc1Cl 2340050 GBRQGSSBKQZVEW-UHFFFAOYSA-N 398.871 4.819 30 40 GJEB COc1ccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2C#N)cc1OC 15932391 PNWWDCWZEKHZKW-UHFFFAOYSA-N 382.419 4.751 30 40 GJEB COc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1OC 59224250 ADEZTJLMDBFOBD-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB O=C(Nc1cc(C(F)(F)F)ccc1F)C(F)(F)C(F)(F)C(F)(F)F 100943793 QMPASGKDAFYPAE-UHFFFAOYSA-N 375.137 4.616 30 40 GJEB COc1cccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1OC 408735758 WRAXXIPRGALVEI-GFXGDVFHSA-N 396.262 4.725 30 40 GJEB COc1ccccc1NC(=O)/C(=C/n1c(=S)sc2ccccc21)C(C)=O 1637472 MOFUNLUTCWCFQI-ACCUITESSA-N 384.482 4.509 30 40 GJEB COC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(OC)cc2)c1C#N 2217286 ZSMUHJGVJKQVEJ-UHFFFAOYSA-N 396.493 4.622 30 40 GJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 3094390 NNXBYYKZQRPTMG-OAQYLSRUSA-N 397.515 4.643 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 4544201 DYHMZRMRTVBYIQ-RREIPUBJSA-N 381.207 4.616 30 40 GJEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(OC)cc1 4740366 MMHYHLFTYFWZSY-XHWMPCBKSA-N 378.472 4.847 30 40 GJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1 5669758 RQRXHSMVLRBPOA-SRZZPIQSSA-N 375.340 4.565 30 40 GJEB CC(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 6824567 RFWCNWYUUJNFJM-ZDUSSCGKSA-N 397.569 4.995 30 40 GJEB Cc1ccccc1N/C(=N/S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12523969 CLLVLUYWAVFAEK-UHFFFAOYSA-N 384.888 4.896 30 40 GJEB Cc1nnc(Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(C#N)c1C 12540863 ITCDGVKUJPKSRA-UHFFFAOYSA-N 386.333 4.964 30 40 GJEB COc1ccccc1CN/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 20761868 DPCZIJAAEAOVOI-WSDLNYQXSA-N 385.807 4.641 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc2c1 35310932 LLVGLGOPURBMSN-UHFFFAOYSA-N 397.887 4.889 30 40 GJEB O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(N2CCOCC2)c(F)c1 48253055 ZRIKFXQGLXDISX-RMKNXTFCSA-N 395.405 4.958 30 40 GJEB COc1ccc(/N=C2/c3cc([N+](=O)[O-])ccc3-c3c2cccc3[N+](=O)[O-])cc1 100346797 CGJSGSMAQFBMNJ-QZQOTICOSA-N 375.340 4.661 30 40 GJEB CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)SC1=Nc1ccccc1 408549275 RVEFOQFVNIHUCV-SBRLEDFTSA-N 382.485 4.636 30 40 GJEB O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 408718008 BCIJPJZBOJPRRG-LPYMAVHISA-N 386.367 4.768 30 40 GJEB CCn1c(C)cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1C 409287249 ZQRZDMFSOAJFEV-UHFFFAOYSA-N 376.504 4.765 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 2095394 MXMBOYJHGTZZAB-UHFFFAOYSA-N 384.526 4.577 30 40 GJEB CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(F)cc1 4331401 FXLXLXQECPKERX-HNNXBMFYSA-N 398.507 4.511 30 40 GJEB N#Cc1ccccc1OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 11399849 FQOYMDRIMLFMSE-UHFFFAOYSA-N 390.483 4.528 30 40 GJEB CCn1nccc1/C=C1\C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 71785072 PROOCHLOKDKNMI-MRADEKJBSA-N 376.500 4.727 30 40 GJEB COc1ccc(C(=O)/C(=C/Nc2ccc(C)c(C)c2)C(=O)C(F)(F)F)cc1 100862302 WLFFJEYYWYAKEH-BOPFTXTBSA-N 377.362 4.622 30 40 GJEB Ic1ccccc1/N=C\c1ccc(N2CCCC2)cc1 101749914 XHKZOHITFKCNMY-UYRXBGFRSA-N 376.241 4.642 30 40 GJEB CC(C)Oc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409031010 FZCBZDWASACAJX-GEVRCRHISA-N 380.691 4.841 30 40 GJEB O=[N+]([O-])c1cc(/C=N\c2ccc(I)cc2)ccc1Cl 1227477 OLTCIDPOIGROBS-PXNMLYILSA-N 386.576 4.603 30 40 GJEB COc1cc(/C=N/c2ccc3nc(-c4ccccc4)[nH]c3c2)c(O)c([N+](=O)[O-])c1 3162170 WNUKOMQXRPTQAQ-WSDLNYQXSA-N 388.383 4.603 30 40 GJEB CC(=O)C1=NN(c2ccccc2)[C@H](C#Cc2ccccc2)N1c1ccc(Cl)cc1 3162531 SELXOECFSRZQQL-HSZRJFAPSA-N 399.881 4.947 30 40 GJEB Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1C 3372562 DUHJTWLNOUVUMI-UHFFFAOYSA-N 380.498 4.571 30 40 GJEB COc1ccc([C@@H]2C=C3c4ccccc4C(=O)N3C3=C2C(=O)CC(C)(C)C3)cc1 4024065 ANTKUNSIYDXWDM-IBGZPJMESA-N 385.463 4.933 30 40 GJEB biogenic O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1ccc(C(=O)O)cc1 4676120 TVNNMSRUDKWVKN-MDWZMJQESA-N 393.251 4.583 30 40 GJEB COc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc1OC 5376490 DWJJQUAOPZPXFC-NDENLUEZSA-N 390.464 4.749 30 40 GJEB O/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1 13108581 GGVNHOQVKLJMLN-CAOOACKPSA-N 385.055 4.599 30 40 GJEB CCCCCCCCCCCCCC(=O)OC[C@H](COC(C)=O)OC(C)=O 85480143 WPZADTFNTUIQLK-FQEVSTJZSA-N 386.529 4.726 30 40 GJEB O=C(/C(=C\Nc1ccc(Cl)c(F)c1)C(=O)C(F)(F)F)c1cccs1 100294028 LRTQTQODOMLIPR-VQHVLOKHSA-N 377.746 4.851 30 40 GJEB N#Cc1cc(Oc2cccc3cccnc23)c(-n2nnc3ccccc32)cc1C#N 4313004 CIVUIMKTBGAJBH-UHFFFAOYSA-N 388.390 4.504 30 40 GJEB aggregator COc1cc(OC)c(/C=C2\Sc3ccccc3C2=O)cc1Br 5171080 CCURBIHXUNHALO-PXNMLYILSA-N 377.259 4.796 30 40 GJEB Cc1nc(SCC(=O)c2cn(CCC#N)c3ccccc23)c(C#N)c(C)c1C 5226467 MYECGWBQODRHGB-UHFFFAOYSA-N 388.496 4.722 30 40 GJEB Cn1c(/C(C#N)=N/Nc2cc(Cl)c(Cl)cc2Cl)nc2ccccc21 6694471 HIJNBNWIBAGKEH-OEAKJJBVSA-N 378.650 4.873 30 40 GJEB N#Cc1ccccc1CSc1nc2sccc2c(=O)n1-c1ccccc1 7782036 ZTWPKIWASOEWDF-UHFFFAOYSA-N 375.478 4.611 30 40 GJEB N#C[C@]1(c2nc3ccccc3s2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 8718042 WDKULCAFDLBKAR-TZIWHRDSSA-N 390.468 4.581 30 40 GJEB Cc1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1 59248697 MFLROZVJLZHVKS-FSJBWODESA-N 376.412 4.550 30 40 GJEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 102802056 TXEAFEDTYBCINN-HOGKFDNTSA-N 399.446 4.630 30 40 GJEB Cc1nc(/C=C/C(=O)N2CCS/C2=N\c2cccc(Cl)c2C)cs1 104796945 LBGUDHIKVXBHDL-WWEZVLTNSA-N 377.922 4.690 30 40 GJEB N=C1C(C(F)(F)F)(C(F)(F)F)OC(F)(F)C1(C(F)(F)F)C(F)(F)F 107072388 WQXGRVPGINHKQG-UHFFFAOYSA-N 393.074 4.604 30 40 GJEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2[C@H](C)CC1(C)C 208322953 SBWVMWDPSKOKTE-AQXNZCSYSA-N 381.480 4.856 30 40 GJEB C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 219642205 SOWWQBJZSOXFNE-IBGZPJMESA-N 378.516 4.979 30 40 GJEB C=CCOc1c(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cccc1OC 408532988 OZJDCMSWXKZJEY-QGOAFFKASA-N 397.521 4.974 30 40 GJEB Brc1cc(/C=N\c2ccc3ccccc3c2)oc1N1CCOCC1 408844649 DWIOZGWNBMJHAS-BKUYFWCQSA-N 385.261 4.783 30 40 GJEB N#C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 505922759 LHPFBIWZTLVPBQ-PRXAMGSTSA-N 381.209 4.756 30 40 GJEB N#Cc1ccc(Cl)cc1NC(=O)CO/N=C/c1cccc(Cl)c1Cl 3331718 KJYQTWVZWCKXLG-ODCIPOBUSA-N 382.634 4.508 30 40 GJEB C[C@@H]1CCc2sc(NC(=O)c3ccc(Br)s3)c(C#N)c2C1 4070209 ZFPSQCIIBOMBMJ-MRVPVSSYSA-N 381.320 4.821 30 40 GJEB CCC(=O)Nc1ccc(C(=O)/C=C/c2cc(Br)ccc2OC)cc1 4649210 FITSAWLXDHHZMW-UXBLZVDNSA-N 388.261 4.702 30 40 GJEB Cc1ccc(O)c(/C=N/c2cc(Br)c(O)c(Br)c2)c1 8301757 GWPZGGXLSLIYRK-REZTVBANSA-N 385.055 4.682 30 40 GJEB CC(C)(C)c1ccc(-c2nnc(S)n2/N=C\c2c[nH]c3ccccc23)cc1 12401134 KVZCWDKLPRJXQE-QRVIBDJDSA-N 375.501 4.895 30 40 GJEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 16741710 AJCWFRCWLCNXHN-FQEVSTJZSA-N 393.483 4.639 30 40 GJEB CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916039 ZZCLFVCHZVPTRZ-QYXDGFLCSA-N 396.575 4.869 30 40 GJEB COC(=O)c1cccc(Cn2cc(/C=N\c3cccc(O)c3)c3ccccc32)c1 408542148 HNFPGPOEDIBJLV-QFEZKATASA-N 384.435 4.932 30 40 GJEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 408740468 GFGVKEPQTTZSRR-YDZHTSKRSA-N 395.390 4.768 30 40 GJEB CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060452 NRYAXAONQQGPNQ-OAQYLSRUSA-N 397.515 4.643 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C#N)C1 6764141 TXZJBUPNQKFMLD-SNVBAGLBSA-N 389.933 4.525 30 40 GJEB O=[N+]([O-])c1ccc(O)c(/N=C/c2cccn2-c2ccc(Br)cc2)c1 59301871 BJXFQTRNSDGGQL-YBFXNURJSA-N 386.205 4.604 30 40 GJEB C/C(=N\c1ccc(O)c(C)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370384 DRZLVCMWCAYIBE-PCLIKHOPSA-N 384.435 4.851 30 40 GJEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1cc(C)ccn1)C(=O)c1ccccc1-2 100859152 GIGFJOHNIKAJLC-ATVHPVEESA-N 388.423 4.784 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508491 PWQGLTOZXWPJJS-YYHVDZBFSA-N 394.559 4.789 30 40 GJEB C=CCOc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501039971 QSHDUYOHBBBLRG-UHFFFAOYSA-N 394.525 4.851 30 40 GJEB C=CCOc1ccc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1 1547206312 FSOJPFLBQJVELO-NRFANRHFSA-N 399.450 4.582 30 40 GJEB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2 879622 PPPHOQFSIXVYRL-UHFFFAOYSA-N 383.860 4.978 30 40 GJEB aggregator COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)c1 2311550 NTNCFIMSDFZFLN-UHFFFAOYSA-N 389.480 4.668 30 40 GJEB Clc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)c(Cl)c1 4188415 QFHANLRKQZADTD-SRZZPIQSSA-N 383.242 4.568 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 6720076 QYPKLBBHWGXLGU-HXUWFJFHSA-N 391.398 4.506 30 40 GJEB CN(Cc1ccc(-c2ccccc2C#N)cc1)Cc1ccccc1N1CCOCC1 14855869 YSICHMPCZBYSCN-UHFFFAOYSA-N 397.522 4.694 30 40 GJEB Cc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)[C@H](C)c2ccccc2)cc1 17060698 HCYYFERPYHMTTB-FYTMPNSFSA-N 392.524 4.790 30 40 GJEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2nc(-c3ccco3)no2)n1 29739720 CJZRJEMAXISJGF-SECBINFHSA-N 380.351 4.777 30 40 GJEB C=CCc1ccccc1OCCn1c([C@H]2CCCN2C(C)=O)nc2ccccc21 33317712 QOYDGVQKDMLJAT-JOCHJYFZSA-N 389.499 4.527 30 40 GJEB CCCCCCCCCCCCN(CCOCCOC)CCOCCOC 100923563 ITZHRACUOGMBQY-UHFFFAOYSA-N 389.621 4.535 30 40 GJEB C[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCCCC2)cc1 225663975 UHRFUNSGVXPJPO-QGZVFWFLSA-N 378.545 4.791 30 40 GJEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5998947 HKKNDJIXHPFHEL-FAPYRAKZSA-N 380.440 4.541 30 40 GJEB CCOC(=O)CSc1nc2c(c(-c3ccc(C(C)C)cc3)c1C#N)CCC2 6630310 BRJHKAIIHQMYHM-UHFFFAOYSA-N 380.513 4.888 30 40 GJEB N#Cc1ccccc1OCC(=O)Nc1nc2ccc(SC(F)F)cc2s1 7265006 KNFKBFGUOFAAJT-UHFFFAOYSA-N 391.424 4.500 30 40 GJEB C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(OC)c1O 8362838 YWRZMBZNTWWFDY-NMSSZPRHSA-N 394.496 4.672 30 40 GJEB CC/C(=N\N=C(/S)Nc1ccc(OC)cc1)c1ccc(OC(F)F)cc1 8687850 LGCUUPGVHRSMCC-CJLVFECKSA-N 379.432 4.809 30 40 GJEB N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 20637748 SVKNHKIMZFFJKB-NQIIRXRSSA-N 380.407 4.510 30 40 GJEB N#CC(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F 100435829 LYIPDZSLYLDLCU-YFKPBYRVSA-N 389.067 4.627 30 40 GJEB in-vitro O/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 103869870 UYWLCKDUOXZQFR-CAOOACKPSA-N 385.055 4.599 30 40 GJEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 408748709 GSTWREXLCWYILH-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB CCCc1cc(NCCN2CCCCCC2)n2c(nc3ccccc32)c1C#N 4170086 SJOSXTFHEYAGKZ-UHFFFAOYSA-N 375.520 4.600 30 40 GJEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O 5854832 GTDTUMPFZZZPMY-ZDLGFXPLSA-N 386.831 4.677 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O 409069495 DDPSRAMTMOLLAJ-XNTDXEJSSA-N 390.258 4.931 30 40 GJEB N#CCC1CCN(Cc2cc(C(F)(F)F)c(Br)cc2F)CC1 1238510631 KDXMMVTYLFMNNG-UHFFFAOYSA-N 379.195 4.733 30 40 GJEB COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1 1389887 ASANWFPJRXOLPD-UHFFFAOYSA-N 388.471 4.986 30 40 GJEB aggregator C=C1C[C@H]2[C@@H]3CC[C@@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 2097526 YCDZXIYKJHQMIG-SSVGBVEASA-N 384.516 4.575 30 40 GJEB biogenic C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(N2CCOCC2)cc1 7786969 SEJNWPFOQNHHMM-BUVRLJJBSA-N 380.879 4.561 30 40 GJEB Cc1nc2n(n1)[C@H](c1cccc3ccccc13)C1=C(C[C@H](c3ccco3)CC1=O)N2 8560016 OFSLLUNCYUHQFJ-QMHKHESXSA-N 396.450 4.748 30 40 GJEB CCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 19972680 AOENXXKZQPVSSG-UHFFFAOYSA-N 385.891 4.830 30 40 GJEB O=C(CO/N=C\c1ccccc1OCc1ccc(Cl)cc1)Nc1ccccc1 33655200 VPXYVZLKCNRVEA-OYKKKHCWSA-N 394.858 4.908 30 40 GJEB C=CCOc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39750405 ZQHNXDOUFGZPER-UHFFFAOYSA-N 384.907 4.756 30 40 GJEB CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 95201972 WONMPNXAADXCPZ-HXUWFJFHSA-N 385.529 4.838 30 40 GJEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224942810 JGEDDOLLCVCDMV-UHFFFAOYSA-N 386.300 4.773 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccccc3Cl)c2)nc1 408890413 SRIYJCHGHYKBJB-SSDVNMTOSA-N 382.807 4.668 30 40 GJEB COc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)NC2=O)c1OC(C)C 981231 SEJIDYBYZULUSJ-PDGQHHTCSA-N 382.485 4.682 30 40 GJEB CN(C)c1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1 5214185 JYJUEYFQXNMWMT-GDNBJRDFSA-N 392.311 4.951 30 40 GJEB Cc1c(/C=N/c2ccc(F)c(Cl)c2)c(O)n2c(nc3ccccc32)c1C#N 6382046 NAXTZESUMRJRKV-YSURURNPSA-N 378.794 4.916 30 40 GJEB CCO[C@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc2nc(SC)sc2c1 6710466 CYLCVHBNSYKQRX-RNUYOQPASA-N 398.509 4.952 30 40 GJEB C=CCn1c(SCc2cc(Cl)c3c(c2)OCO3)nnc1-c1ccoc1C 12774285 BPEQZTVDCDPXDB-UHFFFAOYSA-N 389.864 4.707 30 40 GJEB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 18197872 XRPWLXJJNIIMPS-BFUOFWGJSA-N 379.847 4.923 30 40 GJEB Cc1noc2c1[C@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 28053013 PMDPLNDBEGQSJW-BTYIYWSLSA-N 390.414 4.786 30 40 GJEB CCCOc1ccc(/C=N\OCC(=O)Nc2ccccc2Cl)cc1OCC 35401492 IQGXOZUAUUVKHW-XKZIYDEJSA-N 390.867 4.517 30 40 GJEB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 35678527 BCCCZZPVWYISIP-LUHXTFBDSA-N 376.500 4.553 30 40 GJEB C=CC/N=c1/scc(-c2ccc(Cl)c(Cl)c2)n1/N=C/c1cccnc1 103371423 IPKXTFWNLSCBPH-QFFYBLEZSA-N 389.311 4.887 30 40 GJEB Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1 108177918 DAQUIZPHZRWMQE-QFEZKATASA-N 392.430 4.702 30 40 GJEB COc1cc(C)c(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OC 408549671 WPFGFAMCMVNCSZ-YVLHZVERSA-N 388.876 4.557 30 40 GJEB COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4ccccc4)NC3=O)c2c1 409006360 IWXCACHWFAZWMY-DEDYPNTBSA-N 390.464 4.749 30 40 GJEB N#CCn1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 409101735 XONKVPGPLSAEGT-AUEPDCJTSA-N 387.321 4.538 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C 674467 NGMPDSNYYFJLLQ-OAQYLSRUSA-N 397.515 4.641 30 40 GJEB COc1ccc(CCNc2oc(-c3cccc(Cl)c3)nc2C#N)cc1OC 2421586 KTBOYUCDEHKJME-UHFFFAOYSA-N 383.835 4.538 30 40 GJEB C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1 2447577 XBGSRWUAGXETED-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc(C#N)cc2)c2ccccc21 3329746 IIOBHJULSVSRRQ-UHFFFAOYSA-N 394.430 4.757 30 40 GJEB N#C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12 4492536 QKMWZJJOEMMGRF-UBVWURDFSA-N 395.418 4.724 30 40 GJEB CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccs2)cc1 4987358 YMJNNKFTPDGAIT-DOTOQJQBSA-N 381.497 4.540 30 40 GJEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccccc2)cc1 5524775 QKCWMAMJDNVKHP-QFIPXVFZSA-N 385.467 4.754 30 40 GJEB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(O)cc1 7718032 XMFWYCCTKNDRFS-JLHYYAGUSA-N 381.435 4.595 30 40 GJEB O=[N+]([O-])c1ccccc1OCc1ccc(/C=N/NCc2ccccc2Cl)o1 8811719 GROASADUSHHQBZ-WSDLNYQXSA-N 385.807 4.544 30 40 GJEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccccc1 13161848 CJDAZBXSSFDIIL-IBGZPJMESA-N 393.826 4.712 30 40 GJEB C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c(OC)c1 14734759 FGSBXBOUVLFQGT-QGZVFWFLSA-N 375.468 4.833 30 40 GJEB CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1nc2ccccc2s1 16687960 PEQUIEKQBBATTB-ADYSOMBNSA-N 386.860 4.883 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N/c1ccccc1 103217603 IMTCVCBAPJZNGM-HNPUNDFXSA-N 382.485 4.718 30 40 GJEB CCn1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 118916060 FIYXFGTYJVDMTO-AOLSLARLSA-N 394.559 4.789 30 40 GJEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C 408871990 ITJFPAIEJCUCGX-LPYMAVHISA-N 375.501 4.572 30 40 GJEB N#CCOc1ccc(Br)cc1/C=N\Nc1ccc(C(F)(F)F)cc1 408938774 SFSRQHGSLWHTLT-YVNNLAQVSA-N 398.182 4.816 30 40 GJEB CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCC#N)c2ccccc21 409112065 AUSPXEIOOXJGAG-LGMDPLHJSA-N 397.272 4.649 30 40 GJEB Clc1ccc(COc2ccc(Cl)cc2/C=N/n2cnnc2)c(Cl)c1 4551787 ZQQAMQSNSQYMCF-QPJQQBGISA-N 381.650 4.700 30 40 GJEB C=CCc1cc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)cc(OC)c1O 4664287 HXGDQUBSKGXNOD-OEEVFVCYSA-N 394.496 4.753 30 40 GJEB C=CCn1c(S[C@@H]2CCCCC2=O)nc2scc(-c3ccccc3)c2c1=O 6078834 RDXRSEZGBZTXGL-QGZVFWFLSA-N 396.537 4.915 30 40 GJEB N#Cc1ccc(OCc2cc(=O)oc3cc(Br)ccc23)c(Cl)c1 18963642 VQRAPEFQFHNNRG-UHFFFAOYSA-N 390.620 4.660 30 40 GJEB CC(C)c1ccccc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59678170 NYWYODQKWRDHSP-UDWIEESQSA-N 377.282 4.753 30 40 GJEB N#Cc1c(OCc2ccccc2Cl)nn(Cc2cccc3ccccc23)c1N 225848980 LAYGIFBGIQGUMS-UHFFFAOYSA-N 388.858 4.771 30 40 GJEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)NCc1ccccc1 408807491 CZYLQJHVYWFWEE-OYKKKHCWSA-N 378.859 4.786 30 40 GJEB C=CCc1cc(/C=N\c2ccc(C(C)(C)C)cc2)cc(OC)c1OCC(=O)O 408853592 QCVCJSIJXZRXMZ-OYKKKHCWSA-N 381.472 4.935 30 40 GJEB O=C(O)c1cc(/C=N/c2c3ccccc3nc3ccccc23)c2c(c1)COCO2 5660820 ZMAFSNMALHMOBB-BHGWPJFGSA-N 384.391 4.703 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)c2ccc(CC)cc2)nc2ccccc2c1=O 12780524 ZAIKESKXSDZQTO-OAHLLOKOSA-N 378.497 4.508 30 40 GJEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1cc(Cc2ccccc2)ccc1O 33707396 SNTLPJAUGXLFID-QNGOZBTKSA-N 386.476 4.875 30 40 GJEB CCc1ccc2c(c1)[C@H](CC/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)N2 95465731 LPCOTDLZANNPKG-AMAFCZHPSA-N 392.890 4.837 30 40 GJEB C=CCn1/c(=N/C(=O)c2ccccc2Br)sc2cccc(F)c21 100877812 IWHPHTQOBZJSDH-JZJYNLBNSA-N 391.265 4.532 30 40 GJEB C=CCSc1ccccc1C(=O)NCc1nc(-c2ccccc2Cl)no1 219819086 XKLRYOUCKCKVJZ-UHFFFAOYSA-N 385.876 4.598 30 40 GJEB N#Cc1c(N)nc(SCc2ccccc2Cl)nc1Cc1ccccc1F 223675139 SSBCOOPKVGSEPK-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1Cc1ccccc1F 223675210 WBHRVJZLTIQVKH-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253508326 FCJZEZIAZQLHTC-GRFBKMLYSA-N 394.559 4.789 30 40 GJEB C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OC 408771212 DXYSTUUVLVYLCL-PZHBDVNGSA-N 380.513 4.586 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2C(C)C)cc1 408915719 QUCGISJADPWDKM-QFAYSNGYSA-N 397.456 4.621 30 40 GJEB COc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2C)cc1 408959812 GFIYOQNJGATHOQ-SPDSTVKKSA-N 393.512 4.529 30 40 GJEB Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3ccccc3F)cc2)cc1 409370106 LCVNBYNDMASVGI-QFEZKATASA-N 392.430 4.702 30 40 GJEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 4893305 MHAHWDXEBJDPAZ-RGVLZGJSSA-N 394.412 4.919 30 40 GJEB CC(=O)N(c1nc(COc2ccccc2C#N)cs1)c1ccc(F)cc1F 6590609 BYXPWDBDFUCREX-UHFFFAOYSA-N 385.395 4.557 30 40 GJEB CC(=O)Oc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O 12561931 VIWROVXLPCWBJE-SXGWCWSVSA-N 375.243 4.704 30 40 GJEB C[C@H](NC(=O)CSc1nc2ccccc2n1CCC#N)c1cccc(Cl)c1 32957491 IIZPLXREXXKZTE-AWEZNQCLSA-N 398.919 4.573 30 40 GJEB C=CCN(CCc1ccccc1)C(=O)c1csc(Nc2ccc(OC)cc2)n1 97594407 KXYNUUZFBSHZGL-UHFFFAOYSA-N 393.512 4.766 30 40 GJEB COc1ccc(N/C=C/c2onc(-c3ccccc3Cl)c2C#N)c(OC)c1 100335062 CLTUBQQWPDLTGY-MDZDMXLPSA-N 381.819 4.967 30 40 GJEB CN(C)c1ccc(/C=N\c2ccc3c(c2)[C@@H](N2CCOCC2)c2ccccc2-3)cc1 104322119 BIDJESMOYAKGJB-QUCUAOCBSA-N 397.522 4.905 30 40 GJEB C=CCOc1cccc(NC(=S)NCCCc2ccccc2OCCC)c1 225626244 MGWVUHLGMCBLJT-UHFFFAOYSA-N 384.545 4.959 30 40 GJEB C=CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1 226344081 XTOOBDGOJFMNGM-UHFFFAOYSA-N 391.652 4.989 30 40 GJEB C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OC 408902800 ROHLAJXGFCWFRH-QGOAFFKASA-N 397.521 4.838 30 40 GJEB CCOC(=O)c1ccc(/N=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)cc1 1411108 HLAWQBUYXCTYER-LKUDQCMESA-N 388.467 4.835 30 40 GJEB C=CCn1c(C)nnc1SCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 6908966 UOCLZBXLLBEPGL-UHFFFAOYSA-N 388.496 4.896 30 40 GJEB COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccccc3)CC2=O)Nc2onc(C)c21 13570743 FZLOCQYXMVLZCW-ZHRRBRCNSA-N 386.451 4.950 30 40 GJEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1ccc(Cl)c(Cl)c1 16973028 VXOKLZWRRITYSG-UHFFFAOYSA-N 390.265 4.718 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S 33317727 QDYAOVJXUXGKFW-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c1C#N 59640793 BXZOTSHWWQWCSC-DHRITJCHSA-N 387.487 4.570 30 40 GJEB C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OCC)c1OCC 408930904 DORUZPVBENNWPA-XIEYBQDHSA-N 394.515 4.800 30 40 GJEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(F)cc1 408961620 UAOXSJQCDCDVQO-VXMHBOQLSA-N 381.476 4.660 30 40 GJEB CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C#N)c1-c1ccccc1 409118611 OPQRXQMTZFUVMC-UHFFFAOYSA-N 394.427 4.855 30 40 GJEB Cc1ccc(CSc2nncn2/N=C/c2cccc(Br)c2)cc1 940355 HTJKAUMTWFXNPT-KEBDBYFISA-N 387.306 4.524 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1sc(Cl)cc1Cl 1445448 LTDQJIOYDUSQLJ-OAHLLOKOSA-N 386.300 4.586 30 40 GJEB COCCNc1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N 2428122 LEJUWHWVPJECQV-UHFFFAOYSA-N 383.835 4.504 30 40 GJEB N#Cc1ccc(CSc2nc3c(c(-c4ccco4)c2C#N)C(=O)CCC3)cc1 3418642 KQMHTWPLLCZSBG-UHFFFAOYSA-N 385.448 4.896 30 40 GJEB C=CCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1 4000128 OVGCAVFMLJGGTQ-OSVJCPFSSA-N 388.511 4.587 30 40 GJEB biogenic COC(=O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)cc1 4524201 MMKFVGFPJWODCD-CIAFOILYSA-N 377.425 4.789 30 40 GJEB CCc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc(C#N)cc3)nc12 10254241 YTLBDTHKKMERGX-UHFFFAOYSA-N 398.491 4.972 30 40 GJEB CC[C@@](CO)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 72289914 QNWJCTKPWISMPI-VWLOTQADSA-N 386.495 4.525 30 40 GJEB CCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cc(C)ccc21 409048331 NZRISWHIZZKYAA-GYRAYZOKSA-N 383.311 4.992 30 40 GJEB COC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C#N)c1C 996145 JUZKQNZFSIOVSB-GQCTYLIASA-N 395.267 4.674 30 40 GJEB CC(C)n1ncc2c(C(=O)OCc3ccc(C#N)cc3)cc(-c3ccccc3)nc21 3412566 XWDNQOYKPXQLSF-UHFFFAOYSA-N 396.450 4.908 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)c2ccc(C)cc2)nc2sc(C)c(C)c2c1=O 3470588 XNXKFQCPAXJJEY-HNNXBMFYSA-N 398.553 4.933 30 40 GJEB C[C@H]1CN(C(=S)NCc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 6542775 YSIHLMCXYRILKL-NAWWWVTNSA-N 375.950 4.840 30 40 GJEB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 18197869 XRPWLXJJNIIMPS-ORAYPTAESA-N 379.847 4.923 30 40 GJEB N#Cc1ccc(Cc2cnc(NC(=O)CCCC(=O)c3cccs3)s2)cc1 25941632 JHWYFUQPIAYBOE-UHFFFAOYSA-N 395.509 4.659 30 40 GJEB C=CCOc1ccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224944968 LARNLMROEKFKPR-UHFFFAOYSA-N 386.300 4.773 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 3287778 VRJPXERBDLHFPJ-UHFFFAOYSA-N 375.815 4.716 30 40 GJEB N#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 6049542 JSCYEFGWXFFLGY-UHFFFAOYSA-N 388.267 4.613 30 40 GJEB CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OC 6959217 QIMLZYAWFCAFOE-YBFXNURJSA-N 395.240 4.758 30 40 GJEB COc1ccccc1/N=C1\SCCCN1C(=O)c1cnc(Cl)c(Cl)c1 7654701 IRWPYEXEGQQORK-FXBPSFAMSA-N 396.299 4.664 30 40 GJEB N#Cc1c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)sc2c1CCCC2 10372897 SCBWNJTUFBBCDT-UHFFFAOYSA-N 395.484 4.857 30 40 GJEB Cc1noc2c1[C@H](c1ccsc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 20724618 YCDKFTRVRHGDJY-LIRRHRJNSA-N 378.453 4.708 30 40 GJEB CCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)ccc2O)c1 67341116 WFMHCSAQSAQCNP-DJKKODMXSA-N 381.657 4.907 30 40 GJEB CC/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc2c(c1)CC(=O)N2C 98042613 XXBZKPBMZCKTSQ-XIEYBQDHSA-N 392.890 4.942 30 40 GJEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)s1 225712943 VWNWLMQVKXTQAL-OAHLLOKOSA-N 391.562 4.910 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253369570 FCJZEZIAZQLHTC-TZGNLQBGSA-N 394.559 4.789 30 40 GJEB Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408845815 LOWOLHNOPYWOHA-FOKLQQMPSA-N 396.830 4.895 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C(C)C)cc1 408911103 JBFDPIASGDUSJN-OESWBVNESA-N 380.469 4.736 30 40 GJEB CCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 1748198 GYSYBCBZQKUDON-PKNBQFBNSA-N 396.512 4.948 30 40 GJEB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C#N)cc1F 4487768 BKKXQLMOZZLIQU-UHFFFAOYSA-N 387.370 4.766 30 40 GJEB C/C(=N\N=C1\N=C(O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S1)C(C)(C)C 4577201 PEJIMVOJRZGANA-WVISFHDSSA-N 380.901 4.519 30 40 GJEB O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\C=C\c1ccccc1 4695916 JAGHDQDZHGGAMI-MAHQCVNESA-N 385.286 4.897 30 40 GJEB C=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 5222632 FCWYNTDTQPCVPG-QUFILJBYSA-N 382.500 4.941 30 40 GJEB CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 5835948 IOFKUAUPYGMVFK-HSZRJFAPSA-N 398.462 4.776 30 40 GJEB COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(Cl)c2Cl)c1 5932613 MJTDMVNFGBMPFS-DJKKODMXSA-N 379.272 4.805 30 40 GJEB Cc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)n1C(C)C 8300900 FWLKAEWRBZXIAV-MFKUBSTISA-N 384.483 4.945 30 40 GJEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1OCC 16689004 MIBXHRIHZKSATD-RGEXLXHISA-N 380.469 4.542 30 40 GJEB COCCCNc1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N 39404213 WFGUARLODUMQJX-UHFFFAOYSA-N 397.862 4.894 30 40 GJEB C=CCn1cc(C(=O)N[C@@H](C)c2ccc(OCC)c(OC)c2)c2ccccc21 58022967 FCTCRZPVBRVXQT-INIZCTEOSA-N 378.472 4.726 30 40 GJEB C/N=C1/S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(=O)N1C 59105176 IWLFBNFLMKUCJH-ZMGJGUIFSA-N 394.327 4.933 30 40 GJEB CCN1CC[C@](O)(/C=C/c2ccc(C)cc2)[C@H](C(=O)/C=C\c2ccc(C)cc2)C1 59365232 YEYLFNINCAFXLC-HDCGCMCLSA-N 389.539 4.672 30 40 GJEB N#Cc1cccc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c1 96119756 AYBOALWAFMTWHH-UHFFFAOYSA-N 386.436 4.513 30 40 GJEB Cc1cccc(CSc2nc(N)c(C#N)c(Cc3ccccc3Cl)n2)c1 223667001 WPFPRNRSKUCBNJ-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB C=CCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC 409081943 IKSLBIBBDASBOI-WJDWOHSUSA-N 383.831 4.648 30 40 GJEB CCOc1cccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c1O 409233154 RCGOFVMIIDIMMD-LBCNESNHSA-N 386.448 4.554 30 40 GJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCc3onc(-c4cccc(F)c4)c3C1)C2 19460753 LRGFJVHGWRQMCM-WAIKUNEKSA-N 380.463 4.748 30 40 GJEB O=C(COc1cccc2ccccc12)Nc1cccc(C#Cc2ccccn2)c1 31079714 FZEIQVVSHISQQB-UHFFFAOYSA-N 378.431 4.652 30 40 GJEB CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 32932914 PGHDDIPSOFKHRP-GFCCVEGCSA-N 383.300 4.637 30 40 GJEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(OC)cc2)C1=O 57546847 FWSPSPAWRBRNFL-QGOAFFKASA-N 383.494 4.666 30 40 GJEB Cc1c(/C=C2/C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cnn1C 118916067 SGZGWFBJNFOJSO-IJGUOSJHSA-N 392.543 4.823 30 40 GJEB COc1ccccc1-c1cc(C(F)(F)F)nc(N/N=C/c2ccc(F)s2)n1 252511286 ZWQQACHKKTZDKF-LSFURLLWSA-N 396.369 4.818 30 40 GJEB C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OCC)c1O 409068906 KFSXYPVSZOKTPQ-UHFFFAOYSA-N 394.467 4.647 30 40 GJEB C=CCn1c(C)cc(-c2csc(NC(=O)Cc3ccc(OC)cc3)n2)c1C 3334182 MOYCLQVUMGLZCG-UHFFFAOYSA-N 381.501 4.604 30 40 GJEB N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 8344684 KGPSWFWRZUNBPN-UHFFFAOYSA-N 381.435 4.604 30 40 GJEB COCCCn1c(SCc2cccc(C#N)c2)nnc1-c1ccc(Cl)cc1 11488612 DXNBCWBRXKGDDO-UHFFFAOYSA-N 398.919 4.799 30 40 GJEB CCOc1ccccc1C(=O)/N=C1\c2ccccc2CN1c1ccc(C#N)cc1 12654099 GSHUEICSKHKBAN-WNAAXNPUSA-N 381.435 4.564 30 40 GJEB COCCN1Cc2cc3cc(C)ccc3nc2S/C1=N/c1cccc(OC)c1 13150702 DMGPQGJJPPJHIH-GHVJWSGMSA-N 393.512 4.794 30 40 GJEB COc1cc(/C=C(/C(=O)c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O 34887552 WBFITGHULHAJER-LDADJPATSA-N 375.380 4.733 30 40 GJEB CCOc1cc(C(=O)OC)cc(N/C=C/C(=O)c2ccc(C)c(C)c2)c1OCC 44844023 PZRIGCXXSAKOPW-ZHACJKMWSA-N 397.471 4.696 30 40 GJEB Cc1cc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)ccc1F 59302905 IAWPQEDIVFWJAI-BHGWPJFGSA-N 394.402 4.689 30 40 GJEB FC(F)(F)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(Cl)cc2)O1 104857143 IQUCVDFPJNHKON-UHFFFAOYSA-N 398.612 4.899 30 40 GJEB C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224621004 VJHPIUUVXNJPIC-UHFFFAOYSA-N 390.263 4.522 30 40 GJEB CCc1ccccc1-n1c(C)cc(/C=N/NC(=S)Nc2ccccc2)c1C 4090200 IHSMPLWIQKSQAJ-HZHRSRAPSA-N 376.529 4.977 30 40 GJEB C(=N/Nc1ncnc2scc(-c3ccccc3)c12)\c1cccc2nccnc12 5577344 JUCQKWZBCNLYIU-KBKYJPHKSA-N 382.452 4.748 30 40 GJEB C[C@@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=S)NCCc1ccccc1 5937872 XOCNYYDFPJAKJD-CINSFREOSA-N 389.977 4.882 30 40 GJEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 10266878 UAUHOJISPZNAJQ-NSHDSACASA-N 380.300 4.996 30 40 GJEB Cc1csc([C@@H](C#N)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)n1 41515776 YNUGSEWOXHOYKQ-INIZCTEOSA-N 376.485 4.532 30 40 GJEB O=C(O)COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1Cl 59678774 IJOVVKJXYXCOFJ-OEAKJJBVSA-N 380.831 4.976 30 40 GJEB C=CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(OC)c(OC)c2)c1 225720843 SDTITXJKQDAIRO-SFHVURJKSA-N 386.517 4.706 30 40 GJEB CC(=O)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 408542048 JPWBEEDNVRLQFU-WYMPLXKRSA-N 386.407 4.934 30 40 GJEB C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 408743709 XPDBUVGCYLDCDT-SFQUDFHCSA-N 397.272 4.820 30 40 GJEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1cc(C)ccc1C 408906992 FSYSSXCJPLKLLW-KDWIEBRMSA-N 381.457 4.836 30 40 GJEB N#Cc1c(/N=C/c2cc(Br)ccc2O)sc2c1C1CCN2CC1 1105362 RBBBIVCVBJLFGP-AWQFTUOYSA-N 388.290 4.536 30 40 GJEB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc12 4273215 DVVGHFAZRWITNO-UHFFFAOYSA-N 384.464 4.718 30 40 GJEB N#Cc1c(NC(=O)c2ccccc2Br)sc2c1CCCCC2 5577124 CIMYZZCMXAMXOO-UHFFFAOYSA-N 375.291 4.903 30 40 GJEB COc1ccc(-c2c[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCCCC3)cc1 13361590 FHXSTIMUHDDCHE-UHFFFAOYSA-N 395.910 4.714 30 40 GJEB O=C1N/C(=N\N=C\c2ccccc2Cl)S/C1=C\c1ccccc1Cl 14922330 IIVWQWHDGFVTDW-ZMSCOZPXSA-N 376.268 4.587 30 40 GJEB COc1c(/C=C2/Sc3ccccc3C2=O)cc(Br)cc1[N+](=O)[O-] 408718445 YCHOEAUQVHTUSG-VGOFMYFVSA-N 392.230 4.695 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)S2)cc1 408754703 LGMKCOZTUZNZQQ-YBEGLDIGSA-N 387.848 4.702 30 40 GJEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 409187646 SVUQYERSSYUOON-SRZZPIQSSA-N 382.828 4.714 30 40 GJEB C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccccn1 2351928 NWOCERNEOZGPIO-UHFFFAOYSA-N 387.306 4.581 30 40 GJEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)N1C 4675076 JZGPOZDIMVQOOP-GSSCTWANSA-N 375.497 4.779 30 40 GJEB C=CCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c(OCC=C)c1 4832189 CQCKFTOAMDILSU-UYRXBGFRSA-N 395.842 4.814 30 40 GJEB Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1 5642476 VIIILCVKYRZNQQ-AWEZNQCLSA-N 394.525 4.813 30 40 GJEB N#CC1(c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)CCCC1 9355176 XEYLYWFHTWDPFS-UHFFFAOYSA-N 383.289 4.966 30 40 GJEB CC/N=C1\S/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1CC 15010308 SCJRXHYDJOTYLK-QFGKFHJGSA-N 384.476 4.717 30 40 GJEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 16682315 YRCBJOZKTSTUJT-OQLLNIDSSA-N 392.238 4.604 30 40 GJEB COc1ccc(CN/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1OC 20196036 NTWMLZVBXDWKEP-JVWAILMASA-N 399.494 4.831 30 40 GJEB COc1cccc(C(=O)Nc2c(C)cc3nc(NN=C(C)C)sc3c2C)c1 72228690 HOSNPEXTEQNJCR-UHFFFAOYSA-N 382.489 4.982 30 40 GJEB Cc1cc(C)c(C#N)c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 98087233 PPDIWMJGJYLXBA-NRFANRHFSA-N 387.508 4.720 30 40 GJEB CCN1CC[C@](O)(/C=C\c2cccc(C)c2)[C@H](C(=O)/C=C\c2cccc(C)c2)C1 104317426 HZOCZWZBYRGSCV-BNJOWKJMSA-N 389.539 4.672 30 40 GJEB COc1cc([C@H]2NC(SC)=NC(C)=C2C(C)=O)ccc1OCc1ccccc1 408732513 WBUPTCCAKRAOBV-OAQYLSRUSA-N 396.512 4.501 30 40 GJEB CCCOc1ccc(Br)cc1/C=C1\C(=O)ON=C1c1ccccc1 409082895 UDDDUUZDOSQHTP-VBKFSLOCSA-N 386.245 4.582 30 40 GJEB CC(C)(C)[C@](C)(C#N)NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 613366198 WYOQFIGQXKUUJR-KRWDZBQOSA-N 381.423 4.887 30 40 GJEB C=C1C[C@@](COc2ccc3c(C)c(Cl)c(=O)oc3c2)(c2ccccc2)OC1=O 1485945 YWRGWWAGFKXEDU-JOCHJYFZSA-N 396.826 4.532 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 2266321 WXWKIYZHHPDTMK-UHFFFAOYSA-N 398.553 4.885 30 40 GJEB CCOC(=O)CCCSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N 2410165 OMGPKNBCTFSWTE-UHFFFAOYSA-N 398.406 4.976 30 40 GJEB CCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 3039878 YPGRWGAZDGDYEU-OQKWZONESA-N 388.533 4.657 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1C 6128566 VDAGJOAQYRMQQD-UHFFFAOYSA-N 392.528 4.724 30 40 GJEB C=CCn1c([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 13031011 XBABXIXOEOZVDE-JOCHJYFZSA-N 381.479 4.936 30 40 GJEB CCOc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)cc(Cl)c1O 17150189 NBXHOAGEDTWXRW-MHWRWJLKSA-N 388.876 4.644 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 18066261 ARJFWERBHKXKBD-JOCHJYFZSA-N 390.458 4.741 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 104091201 OBVMAYOVAITCBE-JBCNATCCSA-N 387.410 4.760 30 40 GJEB C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 224917954 MXSZUCHDODKQRA-UHFFFAOYSA-N 393.789 4.879 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCC)C2=O)cc1Cl 409055836 QGDSTUMPXQUMPD-UVTDQMKNSA-N 384.284 4.842 30 40 GJEB N#Cc1ccc(Nc2cccc(C(=O)NCCc3c[nH]c4cc(F)ccc34)c2)cc1 523123939 IDBTYXHMMKEUCC-UHFFFAOYSA-N 398.441 4.895 30 40 GJEB N#Cc1c(NC(=O)c2ccccc2)n(-c2ccccc2)c2nc3ccccc3nc12 2288028 WVBPUBILZYLYOY-UHFFFAOYSA-N 389.418 4.698 30 40 GJEB Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccn2)cc1 2439688 PEBPKYCXIFSNSV-UHFFFAOYSA-N 383.480 4.802 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 3166244 UKFQYKGFUXLGPQ-UYAOXDASSA-N 399.284 4.768 30 40 GJEB CC(C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 4668662 XOOJQDCELHQONX-YBFXNURJSA-N 378.453 4.582 30 40 GJEB Cc1c(/C=N/Nc2ccc(F)c(Cl)c2)c(O)n2c(nc3ccccc32)c1C#N 4816209 KNSVBTRIONULPV-YSURURNPSA-N 393.809 4.612 30 40 GJEB CC[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 6734903 ZCQOMHVQWLUNEX-QGZVFWFLSA-N 394.525 4.834 30 40 GJEB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCS/C1=N\c1ccccc1 7158697 JXFABDBPVIEAHU-UXDFZSADSA-N 396.512 4.511 30 40 GJEB COc1ccc([C@@H](CN/C(C)=C/C(=O)c2ccc(Cl)cc2)N2CCCC2)cc1 25538982 PYALLSWKUUJCNK-XEPMYJLFSA-N 398.934 4.862 30 40 GJEB COc1ccc(/N=C2/S/C(=C\c3ccc(O)cc3)C(=O)N2CC(C)C)cc1 100260245 LQRZDIZQUAYDMW-NXCZOFCGSA-N 382.485 4.661 30 40 GJEB CCCCCCCCOc1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1 100311336 XXZYKZHITFHQLS-PTGBLXJZSA-N 392.507 4.848 30 40 GJEB FC(F)(F)C(F)(F)C(F)(F)C(C[C@@H]1CO1)(C(F)(F)F)C(F)(F)F 103540182 OARRIBKBFYYUPS-GSVOUGTGSA-N 376.112 4.719 30 40 GJEB COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Cl)c1O 408533417 YMNGSZROGVVKPG-ZSOIEALJSA-N 395.267 4.599 30 40 GJEB C=CCn1c(CCCCCCC)nnc1S[C@H](C)C(=O)Nc1nccs1 408561009 UMSTXLQKXVBRNQ-CQSZACIVSA-N 393.582 4.553 30 40 GJEB CCN(CC)c1ccc(/C=N/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 408973938 CTQTYXHIHLOCTP-HZHRSRAPSA-N 391.475 4.994 30 40 GJEB CCn1cccc1C=Nn1c(-c2cc3ccccc3o2)nc2ccccc2c1=O 409282570 OXRRMIOLTYOONU-UHFFFAOYSA-N 382.423 4.513 30 40 GJEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O 780215 ZAMVYDAOTRXWSR-UHFFFAOYSA-N 379.500 4.708 30 40 GJEB CCCC[C@@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O 4935282 OMTCQJITTBMBGB-AUECTMLASA-N 389.521 4.912 30 40 GJEB N#Cc1ccc(Cc2cnc(NC(=O)CCc3c[nH]c4ccccc34)s2)cc1 25053494 DWUOTXSYPPYQKE-UHFFFAOYSA-N 386.480 4.658 30 40 GJEB N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(C(F)(F)F)nc2)cc1 26437194 KGAINOQZZNGCNV-UHFFFAOYSA-N 382.341 4.996 30 40 GJEB COc1ccc(C(=O)CSc2nc(-c3ccc(OC)cc3)ccc2C#N)cc1 33011196 IMUVSZHDKUGRTN-UHFFFAOYSA-N 390.464 4.612 30 40 GJEB CC(C)Oc1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Cl 84700268 UYGRKZHXJMPEGZ-LLVKDONJSA-N 389.908 4.832 30 40 GJEB O=C(C[C@@H]1C(=O)c2ccccc2C1=C1C(=O)c2ccccc2C1=O)c1ccccc1 103013698 WSIXRANOLJEHJJ-FQEVSTJZSA-N 392.410 4.605 30 40 GJEB Cc1ccc(C(=O)O)cc1/N=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408771649 IMENGQULEZPNDV-UUYOSTAYSA-N 377.400 4.760 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1c(C)cccc1C 408908870 SSJDEZFZTNGYPN-WBCKRXDOSA-N 382.485 4.642 30 40 GJEB COc1ccccc1/N=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1 1444704 OWIVBZJUHMDNSK-HYARGMPZSA-N 376.368 4.573 30 40 GJEB COc1ccc(CC/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1OC 2277198 RTOBRRWIXFTYGB-OEAKJJBVSA-N 383.879 4.513 30 40 GJEB C=C1C[C@H]2[C@H](CC[C@@]3(C)[C@@H]2CC(=C)[C@]3(OC(C)=O)C(C)=O)[C@@]2(C)CCC(=O)C=C12 4026394 WJFDQNDYQVFWKP-WHOGZOBZSA-N 396.527 4.741 30 40 GJEB biogenic COc1ccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)c(OC)c1 4679056 IMYOLEIDEKYPMQ-OESWBVNESA-N 382.485 4.554 30 40 GJEB CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 5738716 DAWCLQKZZAROHS-IIGRLWHBSA-N 379.529 4.938 30 40 GJEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1 6274589 HWNMOKKWUFDVNX-SAPNQHFASA-N 393.508 4.766 30 40 GJEB CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(Br)c1OCC 6614103 NGZJXHDNJCAHAF-BJMVGYQFSA-N 391.261 4.848 30 40 GJEB O=C1C[C@H](c2cccc(F)c2F)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6820400 RSZLOWYNMUDYAM-BXUZGUMPSA-N 387.813 4.623 30 40 GJEB CCN(CC)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1 408905227 VLCSKANYPGMRDZ-XDHOZWIPSA-N 394.256 4.594 30 40 GJEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1 408910645 IVMYSRGOLRUNPE-XGHAMVSDSA-N 394.496 4.796 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1Br 409009946 CQCZVJYHGJWRSN-KBVGCWLLSA-N 396.306 4.849 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O 725360 OKDZNOBMCCCYPA-SSDVNMTOSA-N 377.331 4.998 30 40 GJEB C/C=C1\C[N+]2(C)CC[C@]34C(=C(/C=N/Nc5ccccc5)[C@H]1C[C@@H]32)Nc1ccccc14 3999440 KZDYDLFVHMLGCE-VESLAJPGSA-N 397.546 4.901 30 40 GJEB C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 4117106 QJPIVVWFQDOUMI-XCGVQGCYSA-N 397.435 4.574 30 40 GJEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(F)c(Cl)c2)NC1=O 5376519 QGJALTLJNSQBRG-YVLHZVERSA-N 388.851 4.936 30 40 GJEB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 7985775 GXNCGDLQCKSJLY-QGZVFWFLSA-N 396.450 4.687 30 40 GJEB COc1ccc(C(=O)/C=C\c2ccc3cc(OC)c(OC)cc3c2)cc1OC 17047174 WYQLNSDDJSDZQX-TWGQIWQCSA-N 378.424 4.770 30 40 GJEB COc1cc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)ccc1O 19550103 IIYGTEGINCFUOX-UHFFFAOYSA-N 386.238 4.890 30 40 GJEB Cc1noc2c1[C@H](c1cccs1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 20734233 JEFKPYRKGZMBSC-ODXCJYRJSA-N 378.453 4.708 30 40 GJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(F)cc1Br 40049500 UKWIMWVRWSJTJT-UHFFFAOYSA-N 395.231 4.635 30 40 GJEB CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1cccc(C(F)(F)F)c1 100289101 IAXGAYAARPQTJJ-RNRVAVSFSA-N 378.375 4.645 30 40 GJEB CCC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 118924174 HONIPOFOKOETAA-OIELIUQCSA-N 376.562 4.528 30 40 GJEB O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)NCc1ccccc1 408805675 BPYOUYLRPXEFIX-OYKKKHCWSA-N 378.859 4.786 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C1CCCCC1 4286535 HYIBKRUAPMXANL-UHFFFAOYSA-N 390.940 4.896 30 40 GJEB CCCC(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl 4348820 HZAJOMXXPJDWCV-AWEZNQCLSA-N 394.755 4.523 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(O)c(O)c1 4459169 VJVMBAIVHPJBTM-OAQYLSRUSA-N 386.451 4.847 30 40 GJEB Cc1ccc([C@H]2C3=C(C[C@@H](c4cccc(Cl)c4)CC3=O)Nc3ncnn32)cc1 4776976 OGJTXNCTVAXMDO-IERDGZPVSA-N 390.874 4.656 30 40 GJEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc(N3CCOCC3)s2)c1 4925983 GPRVDBNZTWBIJR-UFFVCSGVSA-N 389.830 4.703 30 40 GJEB C=CCNC(=O)[C@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1 7201765 BPUVAMPFOOIQIZ-HNNXBMFYSA-N 378.497 4.693 30 40 GJEB CC(C)CN(Cc1c(O)ccc2c1O/C(=C\c1ccncc1)C2=O)CC(C)C 20503685 QJFYDLFCWMQBSH-NHDPSOOVSA-N 380.488 4.517 30 40 GJEB Cc1noc(C)c1CCC(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 89529198 KMSKRKNHRKGLKW-UHFFFAOYSA-N 377.469 4.562 30 40 GJEB CCCCCCCCOC[C@H](O)COCCOCCOCCCCCCC 100933492 QNFVYIYFHSQSGR-QFIPXVFZSA-N 390.605 4.745 30 40 GJEB COc1ccccc1[C@H]1/C(=C(\O)c2ccccc2)C(=O)C(=O)N1c1cccc(C)c1 102800856 PTAFJOQBGWNJLP-MOBKVPTQSA-N 399.446 4.630 30 40 GJEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\N1CCCCC1)C2=O 118923013 VDEUHVINUWGYPC-OULAYNDYSA-N 385.592 4.939 30 40 GJEB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 225777827 RMBPGHFWOMYSRV-UHFFFAOYSA-N 398.890 4.687 30 40 GJEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1F 408593472 PRWYFPRIFZBSCA-VULFUBBASA-N 390.414 4.836 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)c1 408959724 DSLJLUVNOZVTLP-ZHZULCJRSA-N 377.513 4.795 30 40 GJEB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 843397 NHRUBAFMTWYJDX-LPYMAVHISA-N 376.416 4.711 30 40 GJEB Ic1ccc(/N=C/c2ccc(OC3CSC3)cc2)cc1 1193239 CUDCGLPLKBDGKU-GIJQJNRQSA-N 395.265 4.536 30 40 GJEB COc1ccccc1N/N=C(/C(=O)c1ccccc1)N1CCCc2ccccc21 2201462 TYVSQJQRNGSAAT-LCUIJRPUSA-N 385.467 4.756 30 40 GJEB COc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C(F)(F)F)C(F)(F)F 3124584 TXEPFCLKQFJJCG-UHFFFAOYSA-N 383.210 4.783 30 40 GJEB biogenic N#C/C(=N\Nc1cccc(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 4175385 AUQGBCCNWTVNBU-OEAKJJBVSA-N 382.832 4.532 30 40 GJEB CC1(C)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1(Cl)Cl 4982899 RARXOVDTNBGIST-UHFFFAOYSA-N 375.212 4.511 30 40 GJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(N(C)C)cc1 8386591 QIANMBWIEVIZOL-UHFFFAOYSA-N 375.557 4.728 30 40 GJEB COc1ccc(C(=O)/C(=C/c2ccncc2)c2nc3ccccc3o2)cc1OC 9422437 BJQAFUBQERVPPE-LGMDPLHJSA-N 386.407 4.664 30 40 GJEB Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(C#N)cc4F)cc3)oc2c1 16348619 IKYXYCOYIGTTJW-UHFFFAOYSA-N 385.398 4.744 30 40 GJEB CC[C@@H]1C2=C(C[C@@H](c3cccs3)CC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 18199800 BGWRWLRZVZCMNS-UKRRQHHQSA-N 391.496 4.547 30 40 GJEB C[C@H](NC/C(O)=N/c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 32819873 FETPKXDUWUBGAU-NSHDSACASA-N 391.258 4.982 30 40 GJEB COc1cccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)c1 33526107 QGDDFUJMZISLGS-UHFFFAOYSA-N 380.245 4.641 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4cnn(C)c4C)C(=O)[C@@]3(C)CC[C@@H]21 36005114 FNMQPGMXOHYDGL-XUNQAOGZSA-N 390.527 4.856 30 40 GJEB Cn1nc(-c2ccccc2)c(/C=N/O)c1Sc1ccc(Br)cc1 100271472 DIYMCNZCLQVZOI-YBFXNURJSA-N 388.290 4.809 30 40 GJEB N#Cc1ccccc1CO/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408593029 OFPUSWZXRKBUKI-RWPZCVJISA-N 390.446 4.984 30 40 GJEB Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)O)c(Br)c1 409218163 YZFQGYUVDDWQCF-UFWORHAWSA-N 382.641 4.625 30 40 GJEB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cccc(C#N)c2)c1C 3234857 BUWFIMGCPPFPMR-UHFFFAOYSA-N 399.450 4.714 30 40 GJEB O=C(/C=C(\O)c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)F 4894766 GNPOCMFJFFHINC-YVMONPNESA-N 395.068 4.750 30 40 GJEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O 5164780 DBTDCTQPURDPEO-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 5383710 KWCGJTBHOVISKH-SNPRPXQTSA-N 388.533 4.600 30 40 GJEB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1 6651517 CZJASIMTWURMPT-KEBDBYFISA-N 381.779 4.831 30 40 GJEB CC1(C)[C@@H]2CC=C(/C=N/n3c(S)nnc3-c3ccc(OC(F)F)cc3)[C@H]1C2 8071514 DJOCRULSOVSQHK-PMMMDJTHSA-N 390.459 4.662 30 40 GJEB C/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1ccccc1F 12603823 QWFDFLXTNPMBCR-OINPPHAGSA-N 390.281 4.531 30 40 GJEB Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(Cc3ccccc3)CC2)c1 12744483 RHTKGVDZMHFNFH-UHFFFAOYSA-N 389.543 4.505 30 40 GJEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCCCC4)o3)o2)c1 33027103 RHCYPRSVIKXOLP-UHFFFAOYSA-N 377.444 4.992 30 40 GJEB CN(C)Cc1ccc(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 48346132 YYYAROMBZRBDJK-UHFFFAOYSA-N 389.524 4.531 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 408902646 PENOCQKIYWIZRQ-LDADJPATSA-N 394.858 4.557 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 409104562 JUECHWXYTRRGDQ-XDHOZWIPSA-N 399.443 4.636 30 40 GJEB Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc([N+](=O)[O-])cc3)c2)cc1 409218460 FHOAFOQWHFLRHW-UCQKPKSFSA-N 389.411 4.671 30 40 GJEB C[C@@H]1C(=O)[C@](c2ccc(Br)s2)(C2CCCCC2)CC[N+]1(C)C 1594093 XGINROOJRPNIDJ-ACJLOTCBSA-N 385.391 4.766 30 40 GJEB CCN/C(S)=N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1 1969079 IFUJHOUMSQYXCT-WSDLNYQXSA-N 391.924 4.547 30 40 GJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3nc4ccccc4s3)nc2c1 4849006 BPTWMACXFFWBAO-UHFFFAOYSA-N 390.493 4.755 30 40 GJEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5967410 LVCJVKJQDGAZKB-PJMHOZITSA-N 394.467 4.931 30 40 GJEB N#Cc1cccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 6638256 CUNPEOAJGVAKLO-UHFFFAOYSA-N 388.267 4.613 30 40 GJEB CS/C(=N\c1ccccc1Cl)NC(=O)c1ccc(Br)cc1 17749099 VVTKVZPYLASMON-UHFFFAOYSA-N 383.698 4.883 30 40 GJEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1cccc(Cl)c1 408753326 NWQVTWFCTKBLRC-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2cccc(C(=O)O)c2C)c1C 408911730 CTTRQUVCKUTADE-WYMPLXKRSA-N 390.439 4.858 30 40 GJEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 408914362 XRWASLIZNVDCTH-UCQKPKSFSA-N 391.427 4.937 30 40 GJEB O=C(O)c1cc(/C=N\c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 409046633 KRNSBEBTTDJNED-XKZIYDEJSA-N 376.368 4.623 30 40 GJEB CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(O)c(C(=O)O)c3)c2C)cc1 409187473 QXBRMXMFXJLMAV-QRVIBDJDSA-N 378.428 4.647 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OCC 409216306 GUTPZIZRYRBLOD-JXAWBTAJSA-N 375.490 4.877 30 40 GJEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 409250888 YVVBDPHYJRUODX-MPIQAULUSA-N 394.496 4.884 30 40 GJEB CN(C)/C=C/C(=O)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 1400603 CBSKVMKDYFAKTN-BQYQJAHWSA-N 393.796 4.956 30 40 GJEB CCCCOc1ccc(CNC(=S)N/N=C/c2ccc(F)cc2)cc1Cl 2290070 JTOLQAWGANYDAW-YDZHTSKRSA-N 393.915 4.656 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1OCC 4660168 LHVVPGNVDWDHNV-PDGQHHTCSA-N 386.448 4.515 30 40 GJEB Clc1ccc(OCCn2cccc2/C=N/N=c2/[nH]c3ccccc3s2)cc1 5099961 CKSSJZRNDDLXJN-HYARGMPZSA-N 396.903 4.698 30 40 GJEB O=C(CON=C1c2ccccc2-c2ccccc21)NC12CC3CC(CC(C3)C1)C2 6052127 XEWIEMSMSDMQPO-UHFFFAOYSA-N 386.495 4.521 30 40 GJEB aggregator O=C(Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1)c1cccc(Cl)c1 6505707 HKLMFNNWYOGEID-WSDLNYQXSA-N 395.802 4.957 30 40 GJEB N#Cc1ccccc1COC(=O)COc1ccc(C2SCCCS2)cc1 7982423 QWHKMHZYTMCXLF-UHFFFAOYSA-N 385.510 4.549 30 40 GJEB COc1ccc(Br)cc1/C=C/C(=O)Nc1sc(C)c(C)c1C#N 104684487 WXTZODMCUARDKQ-QPJJXVBHSA-N 391.290 4.660 30 40 GJEB C=CCn1c(S)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 107597859 KRUWGZQJBJJEHR-AWEZNQCLSA-N 399.347 4.577 30 40 GJEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)SC1=S 408809525 HSEOBOIBFWPPCM-UYRXBGFRSA-N 397.569 4.547 30 40 GJEB Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1 409222193 AXTHSAQTMPOCQE-OEAKJJBVSA-N 389.411 4.671 30 40 GJEB N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 6638356 QZOXZERQJYAYOE-UHFFFAOYSA-N 388.448 4.832 30 40 GJEB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2cccs2)cc1 12925927 WFIGVOHPHITTNY-HRAATJIYSA-N 376.481 4.601 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/Nc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 27024843 SSCSRAGNDCRRAN-SSDVNMTOSA-N 387.321 4.517 30 40 GJEB C=C(C)CSc1nnc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)s1 32674124 FXFAXVNCMAAEHJ-KGLIPLIRSA-N 393.603 4.607 30 40 GJEB C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 33652964 UIFQHKODAOSFHE-QGZVFWFLSA-N 392.528 4.556 30 40 GJEB COc1cc(N/C=C/C(=O)c2ccc(Br)cc2)c(OC)cc1Cl 51318603 YZTGVRRBGCFWBD-BQYQJAHWSA-N 396.668 4.928 30 40 GJEB CCCCCCCCCCCCCCCCN(CCO)C(=O)/C=C\C(=O)O 100924210 JVTYNOCSBACKDS-MSUUIHNZSA-N 383.573 4.929 30 40 GJEB C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(Cn5ccnc5C)c4)OCC[C@@]3(C2)[C@@H]1C 257271061 MWPQSANAZUISOZ-ORPMTJJLSA-N 378.516 4.928 30 40 GJEB COc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3F)cc2)cc1 408800117 KRCNSFXTWCDTPM-OYKKKHCWSA-N 378.403 4.602 30 40 GJEB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 408910393 JZHDRZONHWYUQN-UHFFFAOYSA-N 386.407 4.773 30 40 GJEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)o1 409107569 WVGQCELNVSUSGZ-YSURURNPSA-N 389.333 4.813 30 40 GJEB C=CCc1cc(CO)cc(OCC)c1OCc1ccc(Br)cc1 409110352 UZYXSISLIZVLAZ-UHFFFAOYSA-N 377.278 4.648 30 40 GJEB Cn1cc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c2ccccc21 409294469 OSJODFWJDGNENP-UHFFFAOYSA-N 384.483 4.818 30 40 GJEB S=C(N/N=C/c1ccc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 5030430 ZNBIOOGTFNFNQR-UFFVCSGVSA-N 382.360 4.760 30 40 GJEB CCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1 5950945 GQXYUSHHQMSIGJ-RGVLZGJSSA-N 375.266 4.952 30 40 GJEB COc1cc(C(=O)n2cc(C#N)c3ccccc32)ccc1OCc1ccccc1 226362028 SQBHROMKIYZCRJ-UHFFFAOYSA-N 382.419 4.789 30 40 GJEB Cc1ccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c(Br)c1 409188529 ZXRGAILIGNGXNW-NHDPSOOVSA-N 390.277 4.839 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 2307061 MJKDYQQOEGDTKW-UHFFFAOYSA-N 398.553 4.885 30 40 GJEB O=C(Nc1nc(-c2ccc(F)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)F 2742150 UZAFKVRULQMJEN-UHFFFAOYSA-N 390.255 4.721 30 40 GJEB Cc1ccccc1-n1c(SCC#N)nc2sc3c(c2c1=O)CCCCC3 5663211 MXHWNZJXMWDXQZ-UHFFFAOYSA-N 381.526 4.640 30 40 GJEB CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6589085 WEOKVNHMPLEQQL-UHFFFAOYSA-N 396.899 4.978 30 40 GJEB CCSc1nnc(C)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1 36611460 LTPVFUNCTLLHGW-KEBDBYFISA-N 390.896 4.715 30 40 GJEB COc1ccc(-c2csc(/N=C(\O)CN(C)Cc3ccc(F)cc3)n2)cc1 49563406 SCERVXFVJOEGLO-UHFFFAOYSA-N 385.464 4.678 30 40 GJEB O[C@H](CON=C1c2ccccc2-c2ccccc21)COc1ccc(Cl)cc1 95117243 QSCMVIPHHZNIJA-INIZCTEOSA-N 379.843 4.529 30 40 GJEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2ccccc2)cc1 104148966 BJRIMHJDNIGTIM-HOGKFDNTSA-N 399.446 4.630 30 40 GJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(C)c([N+](=O)[O-])c3)nc1-2 408723656 ZBIOHMKYSMIYAK-SRZZPIQSSA-N 379.441 4.885 30 40 GJEB CC(C)(C)[C@]1(C#N)C(=O)[C@@H]2[C@@H]3[C@H](CC[C@H]21)C(=O)C3(c1ccccc1)c1ccccc1 607706719 OREHZVPSPLOUAD-DIUYKWSVSA-N 397.518 4.953 30 40 GJEB C#CCSc1nc2c(c(=O)n1CC(=C)C)C1(CCCCC1)Cc1ccccc1-2 2295907 MXBNAUPTROVQIX-UHFFFAOYSA-N 390.552 4.970 30 40 GJEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccc(C)c(C)c1 4664382 WIGXMMCNGZUVGO-OESWBVNESA-N 380.469 4.656 30 40 GJEB Cc1ccc(/N=C2\C(=O)N(CN3CCC[C@H](C)C3)c3ccccc32)cc1Cl 13714746 KGFMZLCDBSQSGV-QOHUBZANSA-N 381.907 4.805 30 40 GJEB CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1 13748973 DEXMWPWCKJZPOT-MSOLQXFVSA-N 394.519 4.597 30 40 GJEB CN(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1 33529175 RXMKDFWDCALSQJ-UHFFFAOYSA-N 393.288 4.698 30 40 GJEB CCCCCCCCCCOC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 97994448 SNXBCETUUILUCX-UHFFFAOYSA-N 377.481 4.787 30 40 GJEB CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 118919133 ZNSPUNVBZGKQFL-UJIPZGCHSA-N 386.576 4.897 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccccc3F)c2C#N)C1 1431921 VKZHQUSZXZFGSG-ZDUSSCGKSA-N 386.492 4.927 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccco1 2395953 NIKVNMWBHIWBPZ-UHFFFAOYSA-N 382.489 4.578 30 40 GJEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O 3265912 UQXKJKSNQSSRFS-UHFFFAOYSA-N 391.521 4.998 30 40 GJEB C#CCOc1ccc(Br)cc1/C=N/Nc1nc2ccccc2s1 6373387 CHFNBVMJVBGKSY-YBFXNURJSA-N 386.274 4.517 30 40 GJEB C[N+](C)(C)c1ccc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 13496583 QZSBCABCLOOGTI-ZVBGSRNCSA-N 383.690 4.556 30 40 GJEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc2ccccc2c1 33781764 MEGNBIYLGPUXFV-CFRMEGHHSA-N 385.427 4.997 30 40 GJEB CNC(=O)c1ccc(/C=C/C(=O)c2ccc3ccccc3c2OC(F)F)cc1 40059715 MAHJXBSEBIHEEX-MDWZMJQESA-N 381.378 4.697 30 40 GJEB O=C(c1ccc(Br)cc1)N1CCCS/C1=N\c1ccccc1 3483630 IBZIFTVOUSLBLJ-ZPHPHTNESA-N 375.291 4.716 30 40 GJEB C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 3947421 FCWYNTDTQPCVPG-HBDUWURDSA-N 382.500 4.941 30 40 GJEB biogenic,in-man O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccn1)n1c(nc3ccccc31)N2 7496114 UOXMEDQXGVLLKT-MZNJEOGPSA-N 392.462 4.847 30 40 GJEB O=C(Nc1ncc(C(F)(F)F)cc1Cl)C(F)(F)C(F)(F)C(F)(F)F 8384715 DSADGOPCBMDLEB-UHFFFAOYSA-N 392.580 4.525 30 40 GJEB CCN1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N/c1ccc(C)c(C)c1 96592050 MUDUAUVHWYUNEC-NFVLHAOASA-N 391.496 4.830 30 40 GJEB C=C(C)COc1cccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 219781654 SPJAYQDHFKGZGO-UHFFFAOYSA-N 384.907 4.566 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2cccc(OCc3ccccc3F)c2)c1 408595955 YCTDWZXWHWJSAM-YDZHTSKRSA-N 380.375 4.864 30 40 GJEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c([N+](=O)[O-])c1 408771642 HWKUWHVSFAINML-CIAFOILYSA-N 378.388 4.970 30 40 GJEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 409150564 CFYJGHOQLOYSML-CXUHLZMHSA-N 399.269 4.557 30 40 GJEB COc1ccc(/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409189951 OEWKOVKKYSHOFY-OYKKKHCWSA-N 391.423 4.732 30 40 GJEB COc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1 575242827 KKMQWBRKHLOAOH-UHFFFAOYSA-N 388.613 5.000 30 40 GJEB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 609514352 UUARXLBAQFFNIQ-JOCHJYFZSA-N 399.450 4.731 30 40 GJEB COc1ccc([C@H](CC#N)[C@@H](C#N)c2ccc(Br)cc2)cc1OC 1084374 FUELQXDQMHQJGY-IRXDYDNUSA-N 385.261 4.771 30 40 GJEB CCN(CC)/C(C)=N/C(=O)N[C@@H](c1ccc(C)cc1)C(Cl)(Cl)Cl 2106856 ISQZLVFBSYDHAZ-PVGUKEHMSA-N 378.731 4.876 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21 4485604 SZULLYHFYGXSGI-HNNXBMFYSA-N 379.485 4.544 30 40 GJEB C=C(C)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 5746276 RMMFZESZOKEJGS-UHFFFAOYSA-N 380.307 4.529 30 40 GJEB CC[C@H]1CS/C(=N\c2ccccc2)N1C(=O)c1cc(OC)c(C)c(OC)c1 6111799 SMEZZRQZKBSVMD-NFFVOIMASA-N 384.501 4.668 30 40 GJEB N#CCSc1ccccc1NC(=O)COc1ccc(Cl)c2cccnc12 6590833 YRWAXOPSDGSOFX-UHFFFAOYSA-N 383.860 4.521 30 40 GJEB CCCn1nnnc1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 6757579 UXQMEUGDWALWPD-ZVHZXABRSA-N 389.434 4.705 30 40 GJEB C=C(C)CSc1nc(N)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 20149780 RYQIILIDJZWXFN-UHFFFAOYSA-N 382.558 4.500 30 40 GJEB C=CCOc1ccccc1CN1C(=O)/C(=N\Nc2ccccc2)c2ccccc21 46084959 NWLXHFWBOXSDNB-RWEWTDSWSA-N 383.451 4.614 30 40 GJEB C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@H](C=NNc3ccccc3)[C@H]1C[C@H]42 575150279 YOIXAKPYNYEUBR-VPRWGBCOSA-N 399.562 4.631 30 40 GJEB biogenic,in-vitro O=S(=O)(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 658138 NCSZXYRDNRBJBP-RGVLZGJSSA-N 395.267 4.566 30 40 GJEB O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1 3150441 PFMZOXXUWVPZKD-FRKPEAEDSA-N 384.573 4.670 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(N2CCCC2)cc1 6269792 CABYLLUHJLCRJX-NLRVBDNBSA-N 394.478 4.546 30 40 GJEB Cc1nc2scc(C)n2c1/C=N/N=C(/C(=O)c1ccccc1)c1ccccc1 7946919 MTQWRIBSJIBCRS-UPHLKCKPSA-N 386.480 4.719 30 40 GJEB CC(=O)Nc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59302402 CFCVFVDFGHXNQM-FYJGNVAPSA-N 382.261 4.949 30 40 GJEB CN(C)c1ccc(/C=[N+](/[O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 80343870 OQBLZLMTJRSEMG-JVWAILMASA-N 384.439 4.731 30 40 GJEB COC(=O)c1sc2ncc(/C(C)=N/Nc3nc4ccccc4s3)cc2c1C 84067956 UNKDNXJUXYFDPU-SSDVNMTOSA-N 396.497 4.837 30 40 GJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 226333559 BGTPAHBGNSUGMN-UXBLZVDNSA-N 391.236 4.910 30 40 GJEB COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)cc1 408964155 CARQMTCRQMDPED-ZMOGYAJESA-N 379.387 4.862 30 40 GJEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C(=O)c1ccccc1 3102289 OSJKOIBVNAGJPC-UHFFFAOYSA-N 378.468 4.802 30 40 GJEB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)O[C@@H](C)C#N)c12 4371421 XFVVSHBRUNQGRR-ZDUSSCGKSA-N 388.452 4.526 30 40 GJEB C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1cccc(Oc2ccccc2)c1 4844217 WQGWVGKDXOUBQV-OEAKJJBVSA-N 380.411 4.744 30 40 GJEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 6046369 FEHNDNMVVGVIMD-QHCPKHFHSA-N 398.462 4.776 30 40 GJEB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCCC2)cc1 15013302 FZQINKJWJSTGGK-AQTBWJFISA-N 383.904 4.832 30 40 GJEB CC1(C)CC2=C(/C(=N/Nc3ccccc3)C1)[C@H](c1ccccc1)[C@H]([N+](=O)[O-])O2 16577857 YCTTYYZDQYBKMX-JITJBMDESA-N 377.444 4.945 30 40 GJEB CCc1ncc(C(=O)[C@@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1 65046793 XLOLTUVVJCPQNE-SECBINFHSA-N 381.404 4.824 30 40 GJEB CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C(=O)O)cc1 210531082 BPFNUDBQEPCUED-BRQLWOPXSA-N 386.860 4.662 30 40 GJEB COc1cccc(Oc2ccc(/N=C/c3cn(CC(N)=O)c4ccccc34)cc2)c1 409384403 AWDNSCOXFJZDKL-VULFUBBASA-N 399.450 4.678 30 40 GJEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N/Nc1ccc(C)cc1 8319061 GBGDAQNJPUKWPH-LYBHJNIJSA-N 389.484 4.618 30 40 GJEB Cc1nn(C)cc1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 8843454 QSCIZHIRAXFDOO-PJLWMYERSA-N 390.531 4.765 30 40 GJEB Cc1cc(C)c(NC(=O)CNc2cc(C)c(C#N)c3nc4ccccc4n23)c(C)c1 24755809 NRYJYWAXKYZTOX-UHFFFAOYSA-N 397.482 4.643 30 40 GJEB C=CCN(C(=O)c1cc2cc(OC)ccc2nc1C)c1nc2c(s1)CCCC2 25803265 MHSBBVONFQCRIQ-UHFFFAOYSA-N 393.512 4.720 30 40 GJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2nc3cccc(Cl)c3s2)c1O 30822890 DTMGIEJDHDEMPV-UBKPWBPPSA-N 383.216 4.663 30 40 GJEB N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1cccnc1 37866314 ZIOZCHIGHDNIKG-UHFFFAOYSA-N 382.423 4.799 30 40 GJEB COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3C)cc(OC)c1OC 100129776 VKBANRSLKQGZDV-AWEZNQCLSA-N 392.455 4.631 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 408830158 YEQUZIFJTOPLDN-YBEGLDIGSA-N 386.454 4.550 30 40 GJEB Cn1cc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c(-c2ccc(C#N)cc2)n1 563453422 FGZCCGRWZHJFEG-VILGAWFOSA-N 382.511 4.869 30 40 GJEB CCOC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(C)=O 3170649 QFGBSUWRGUNZHZ-DEDYPNTBSA-N 394.858 4.728 30 40 GJEB COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(C)cc2)cc1OC 3237954 VPWFVKUTGCYCFH-WJTDDFOZSA-N 386.451 4.619 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1 4286070 JHWHPKCPXQEUDM-UHFFFAOYSA-N 392.528 4.985 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc21 4485669 XKGPZOYQPHMJQW-LSDHHAIUSA-N 383.492 4.719 30 40 GJEB COc1ccc2ccccc2c1/C=N/O[C@H](C)C(=O)NCc1ccc(Cl)cc1 15390808 VHOUFXIFKJUQBJ-PVLQNKMRSA-N 396.874 4.557 30 40 GJEB N#CCCCOC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 21713471 UEGPPUJDUSFZND-ZHACJKMWSA-N 377.469 4.520 30 40 GJEB CC(=O)Nc1cccc(/N=C2\NN=C(c3cc4cc(Cl)ccc4o3)CS2)c1 26144304 VWIJPNUBJXUNNS-UHFFFAOYSA-N 398.875 4.773 30 40 GJEB O=c1oc2ccccc2c(N2CCCC2)c1N/C(O)=N\c1ccc(Cl)cc1 49648717 CIURGOWYHPPUTJ-UHFFFAOYSA-N 383.835 4.704 30 40 GJEB CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C)c32)cc1OC 72332395 OTSPZIIVOAOKEZ-LJQANCHMSA-N 382.460 4.591 30 40 GJEB N#Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 225907081 RQYMLKBIDHRLNZ-INIZCTEOSA-N 388.298 4.716 30 40 GJEB C=CCOC(=O)c1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 226236262 VLHNEINNUJVRTM-UHFFFAOYSA-N 391.652 4.989 30 40 GJEB C=CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1 226333334 YNPUIKXCZCJGMA-CSKARUKUSA-N 391.236 4.910 30 40 GJEB N#Cc1ccccc1CO/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408596478 ZOUHJEKWUUHLLQ-SSDVNMTOSA-N 381.775 4.931 30 40 GJEB Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)S1 409245470 UDLKNKOEXQXFBI-UYRXBGFRSA-N 388.496 4.689 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(F)cc1 2205892 XCROXUPGGIFSAP-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C)c(C)c3)C(=O)N2C)cc1C 8815994 UKSRJSUJNJCYRC-DRGFOCDESA-N 395.528 4.510 30 40 GJEB Cc1ccc(S(=O)(=O)O/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1 17324176 UKUZCBKMKVMPIF-LAGVDGIJSA-N 393.464 4.628 30 40 GJEB CCOC(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)c2cccs2)cc1 17949593 XJDRFNXNLDXAGP-BSYVCWPDSA-N 390.464 4.532 30 40 GJEB C=CCn1c(SCc2cccs2)nnc(N(c2ccccc2)C(C)C)c1=O 28538473 SJMGVVVRHGIPTA-UHFFFAOYSA-N 398.557 4.725 30 40 GJEB Cc1cc(Br)cc(C)c1NC(=O)CSc1ccc(C#N)cc1 102992262 FALYDRZIJFHXDG-UHFFFAOYSA-N 375.291 4.668 30 40 GJEB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 225777867 LNXRKMSPYPTSKG-UHFFFAOYSA-N 398.890 4.686 30 40 GJEB CCOc1ccc(/N=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2CC)cc1 409143683 HZGSWOGRVAIFLK-LQTLECTNSA-N 388.920 4.933 30 40 GJEB N#C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(C(F)(F)F)c1 517605227 MCQPFOKUBQWKMF-INIZCTEOSA-N 377.753 4.835 30 40 GJEB O=C(c1ccc(OC(F)(F)C(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)F 575361029 OJQWQXTWKSWPEH-UHFFFAOYSA-N 390.148 4.939 30 40 GJEB CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(C)C2=O)ccc1O 1015592 SJPYRHZHMDKQSW-WBCKRXDOSA-N 382.485 4.642 30 40 GJEB CCOc1ccc(NC(=O)[C@@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)cc1 4168243 XQGMAMJEZBUPTN-QGZVFWFLSA-N 393.874 4.916 30 40 GJEB CC[C@@H]1CS/C(=N\c2ccc(C(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)N1 4880804 VEUBQPUOJHJVAV-OPGUWZMBSA-N 396.512 4.702 30 40 GJEB CC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O 4888926 NHTDBNAGOIIKID-OJIBODITSA-N 377.469 4.677 30 40 GJEB O=C(C[C@H]1C(=O)c2ccccc2C1=C1C(=O)c2ccccc2C1=O)c1ccccc1 5839969 WSIXRANOLJEHJJ-HXUWFJFHSA-N 392.410 4.605 30 40 GJEB O=C1C[C@@H](c2cccc(F)c2F)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 6820391 RSZLOWYNMUDYAM-RISCZKNCSA-N 387.813 4.623 30 40 GJEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccn1)n1c(nc3ccccc31)N2 7496122 UOXMEDQXGVLLKT-BXKMTCNYSA-N 392.462 4.847 30 40 GJEB CCC/C(O)=N/C1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccccc2)N1 17016890 DFIBJYKWLPSXIG-SFHVURJKSA-N 393.878 4.725 30 40 GJEB O=C(CSCc1ccccc1)NC/C(=N\Nc1ccccc1)c1ccccc1 18195124 XNGGLTVPWJNMBS-XTCLZLMSSA-N 389.524 4.552 30 40 GJEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(C)C)cc1 33923350 MTBQRBCURYQMTM-FMCGGJTJSA-N 377.448 4.967 30 40 GJEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 104085518 FDOGSICYWHIDGH-JBCNATCCSA-N 387.410 4.760 30 40 GJEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224758953 FDQGQVVQTZVDJL-UHFFFAOYSA-N 394.452 4.643 30 40 GJEB CC(=O)Nc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 409012107 JCDBZSSHIGZTPG-FYJGNVAPSA-N 382.261 4.949 30 40 GJEB COc1ccc(/C(C)=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 409053805 PYAGQZYXJHNSOA-CIAFOILYSA-N 398.444 4.572 30 40 GJEB Clc1cc(/N=C/c2ccc(N3CCOCC3)cc2)ccc1Br 409102162 YFZCXPMHRBBMKO-UDWIEESQSA-N 379.685 4.690 30 40 GJEB Cc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)cc1 2447554 VJXATGKYVURORQ-UHFFFAOYSA-N 386.480 4.707 30 40 GJEB Cc1c(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cnn1C 4178715 YXWCFPYLJKIHKI-NZYLZPBISA-N 390.531 4.765 30 40 GJEB S=C(N/N=C/c1cn[nH]c1-c1ccccc1)Nc1ccc(Cl)cc1Cl 4870558 DXCISHYTRWCAFH-UFFVCSGVSA-N 390.299 4.704 30 40 GJEB O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 5556992 XPTKJDQWLKNSED-PDGQHHTCSA-N 390.420 4.536 30 40 GJEB C=CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1OCC 6155521 NYTWLTDMZKJDAU-UHFFFAOYSA-N 376.250 4.665 30 40 GJEB C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1C 10254868 UINZKGAFTNTLRS-UHFFFAOYSA-N 396.472 4.883 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(C)cc1 14082389 SFUGPEPCNPWTFE-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB Cc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 19959910 VLVUKXYHLHWURJ-HTAPYJJXSA-N 388.471 4.719 30 40 GJEB COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1I 33342687 DMXZLCALPHAIHL-OQLLNIDSSA-N 394.233 4.629 30 40 GJEB Cc1[nH]c2ccccc2c1C(=O)/C(O)=N/c1nc2c(s1)C(=O)CC(C)(C)C2 48355612 KPXRMPAHRDFPON-UHFFFAOYSA-N 381.457 4.559 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2cccc(OC)c2)n1CC 408560734 OGHGIZBQNNWCTL-UHFFFAOYSA-N 390.553 4.550 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc([N+](=O)[O-])c3)c2C)cc1 408741853 LMPIJDMOEBFTOZ-LPYMAVHISA-N 377.400 4.540 30 40 GJEB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccccc1 408960544 MPTFZOKHCRLALB-KJSANLLDSA-N 377.513 4.911 30 40 GJEB N#Cc1ccccc1COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 1097080 SUZLQRSGVKMWOT-OVVQPSECSA-N 397.478 4.724 30 40 GJEB COc1cccc([C@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CCC3)c1OC 4944891 IWBMBJXNZOLLJT-QGZVFWFLSA-N 391.467 4.540 30 40 GJEB N#Cc1ccc(CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)cc1 6220898 IWJRDOQOCLICJW-UHFFFAOYSA-N 386.889 4.608 30 40 GJEB N#Cc1cccc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)c1 6994405 VREJJSXKPPSZEA-UHFFFAOYSA-N 395.919 4.685 30 40 GJEB Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1C(=O)c2ccccc2C1=O 7740397 QEHYCOTZOLJGEC-UHFFFAOYSA-N 376.843 4.664 30 40 GJEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(OC)cc3)C(=O)N=C2S1 8452999 WWFMWUSDYBHDDE-IGLFKNPDSA-N 384.505 4.675 30 40 GJEB C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 8959531 AXDPNFDLOFXGRA-UHFFFAOYSA-N 384.863 4.530 30 40 GJEB C=CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nc2ccsc2c1=O 22977033 CXPQBMLQWYGPTN-UHFFFAOYSA-N 395.509 4.900 30 40 GJEB COc1cc(C)cc2c(C)c(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)oc12 72310872 VQRCURCQCZCJCS-CQSZACIVSA-N 388.345 4.962 30 40 GJEB O/C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)=N\c1c(F)cccc1F 82117789 WLGUXCKVGBJSHN-QGZVFWFLSA-N 388.414 4.551 30 40 GJEB COc1ccc(/C=C2/CCOc3cc(Br)ccc3C2=O)cc1OC 96942145 BHZMFGFCSMRYLW-LCYFTJDESA-N 389.245 4.515 30 40 GJEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 102801744 WXWXTPAHCSPGGJ-MOBKVPTQSA-N 383.447 4.930 30 40 GJEB O=C1Nc2c(cc(Cl)cc2[N+](=O)[O-])N/C1=C\C(=O)c1cccc2ccccc12 104238065 XODISNQIEZBJJP-YBEGLDIGSA-N 393.786 4.532 30 40 GJEB CC(C)N1c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223541417 MCCRUAOCBWBFFT-LUILSVGHSA-N 381.480 4.936 30 40 GJEB N#Cc1c(N)nc(SCc2ccccc2F)nc1Cc1ccc(Cl)cc1 223668624 DKEJCQWIMQVWAZ-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1O 408908240 QPXMBVFDJDVWGQ-NFYBBCHUSA-N 382.485 4.803 30 40 GJEB CCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4084014 BWZVEHSYJINNGW-ZEQQQVMLSA-N 386.532 4.657 30 40 GJEB biogenic Cc1cccc(-n2nnnc2C2(/N=C/c3ccccc3Cl)CCCCC2)c1 4474733 SFUCVDCYVILHAT-HZHRSRAPSA-N 379.895 4.903 30 40 GJEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc34)nc2c1 35289028 GYTUKERJDVNZPI-UHFFFAOYSA-N 399.475 4.999 30 40 GJEB Cc1cccc(C)c1NC(=O)Cn1cc(C#N)c2cc(Br)ccc21 59109373 TUKKMIPQFWIPBW-UHFFFAOYSA-N 382.261 4.531 30 40 GJEB Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)c1C 59138039 PHMUSSMBAGOVQG-AQTBWJFISA-N 381.501 4.778 30 40 GJEB COc1ccc(-c2cs/c(=N\N=C3/C[C@H]4CC[C@]3(C)C4(C)C)[nH]2)cc1OC 96299742 ZRHNAWSYXPVSQK-FIHDMETPSA-N 385.533 4.863 30 40 GJEB COc1cc2c(cc1Br)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C 114801567 GUISUVNGHUNBTO-UHFFFAOYSA-N 395.256 4.681 30 40 GJEB C/C(=N/O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 118917606 LTIHRQTXIOHGBO-HZSLREOYSA-N 376.541 4.687 30 40 GJEB C=C(C)COc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1 219781873 INFGMLNSKNQTGT-UHFFFAOYSA-N 385.485 4.621 30 40 GJEB C=CCSc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 224841808 BQPHIIIFTJYHTO-UHFFFAOYSA-N 380.557 4.881 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1CC 408780397 BYSUTXCRMGUWNU-AMPBLAPUSA-N 398.513 4.619 30 40 GJEB COc1cccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c1 408843610 GNQLRNVCJUJXKX-ZMOGYAJESA-N 394.496 4.909 30 40 GJEB CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1cccc(F)c1 409022233 KJIBSRJCDRCEQU-CUVVSLBBSA-N 393.443 4.556 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 3166246 UKFQYKGFUXLGPQ-ICSRJNTNSA-N 399.284 4.768 30 40 GJEB O=[N+]([O-])c1cc(/C=N/c2c3ccccc3nc3ccccc23)c2c(c1)COCO2 5800531 DTOSEVAQPQANKP-FOKLQQMPSA-N 385.379 4.913 30 40 GJEB CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 6381218 BQOBOOXWIODTJC-OAQYLSRUSA-N 387.435 4.621 30 40 GJEB CC(=O)Nc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(F)c1 7091247 NHMFCNCZBVDORK-UHFFFAOYSA-N 388.398 4.584 30 40 GJEB CCCCCCCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 8432573 RQRXLDJXJJVOAI-UHFFFAOYSA-N 385.533 4.828 30 40 GJEB C=C(C)COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1OC 72404639 LMJBBCUBECTPJH-KRWDZBQOSA-N 393.443 4.612 30 40 GJEB Cc1ccc2c(-c3ccccc3)nc(N/N=C/c3ccc4c(c3)OCO4)nc2c1 79060761 WGVBKFFAPSULTP-ZMOGYAJESA-N 382.423 4.780 30 40 GJEB C#CCn1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c2ccccc21 408761083 HMBQRWGJBBTBFF-STZFKDTASA-N 385.492 4.729 30 40 GJEB CCCCCCCCn1c(O)c(C(=O)Nc2nccs2)c(=O)c2ccccc21 2275666 JEJJNWLVUULAJE-UHFFFAOYSA-N 399.516 4.776 30 40 GJEB CCOc1ccc(NCc2nnc(SCC#N)n2-c2cccc(Cl)c2)cc1 4126299 FPGIKPAMYHFCEC-UHFFFAOYSA-N 399.907 4.547 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(F)cc1 4182013 LSGZDZKSWMKQJQ-SMIHKQSGSA-N 395.474 4.533 30 40 GJEB CCn1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 4677920 BWYMRADNIVASFJ-RGVLZGJSSA-N 387.464 4.769 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1cccc(O)c1O 5190651 UMLOSAJAJDNYAT-IBGZPJMESA-N 384.863 4.973 30 40 GJEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/C=C/c1ccccc1[N+](=O)[O-] 6097450 NYHHOMBPZSFHHR-LLPGWTFISA-N 385.832 4.696 30 40 GJEB COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC 13510138 CUJQKPIQOCCCCD-YMKSCNMDSA-N 394.559 4.811 30 40 GJEB N#Cc1ccccc1OCC(=O)Nc1ccccc1SCc1ccsc1 14188285 JREMNPXWAPQWJL-UHFFFAOYSA-N 380.494 4.930 30 40 GJEB C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc(C)c(C)c2c1=O 27777459 HTGJXJXIBQHAJH-LBPRGKRZSA-N 390.534 4.621 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(/CC)c2ccc(OC(F)F)cc2)cc1 38199837 HVJYDEJUIZWVKN-QJOMJCCJSA-N 393.459 4.787 30 40 GJEB N#Cc1c(N)nc(SCc2cccc(F)c2)nc1Cc1ccc(Cl)cc1 223668712 HNUCBDVUJPHJCZ-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB CC(C)Oc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409401220 CSDJEMBVDZPSEN-UHFFFAOYSA-N 383.451 4.733 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1 8811696 LXNXNZWWVISDIF-AFUMVMLFSA-N 395.890 4.658 30 40 GJEB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccco2)ccc1C#N 12250989 XSYWPLQAKLXDMB-UHFFFAOYSA-N 383.860 4.906 30 40 GJEB CCO/C=N/c1c(C#N)c(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1 17949941 XTHVXLGODDEOGT-BUVRLJJBSA-N 375.428 4.729 30 40 GJEB Cc1noc2c1[C@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 28053016 PMDPLNDBEGQSJW-VFNWGFHPSA-N 390.414 4.786 30 40 GJEB F[C@@H]1O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100483887 ULIPEIAHXQESPD-NCGGTJAESA-N 398.065 4.717 30 40 GJEB C=C[C@@]12CCCC[C@@H]1N(Cc1ccccc1)[C@H](P(=O)(OCC)OCC)O2 212419124 BWFCMPBOHSDSHH-SLFFLAALSA-N 379.437 4.936 30 40 GJEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(C)(C)C)cc1 408788140 INMSYKLQXOMZEL-HXUWFJFHSA-N 387.479 4.726 30 40 GJEB COc1ccccc1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2 408847137 LTCVQSKOSIMKFN-ZMOGYAJESA-N 394.496 4.909 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C#N)C1 6253626 ZRKVUHCJXJLMCZ-AWEZNQCLSA-N 376.481 4.915 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 6527204 BCCCZZPVWYISIP-ZPXIKZIOSA-N 376.500 4.553 30 40 GJEB CCN1C=C(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H](c2ccc(OC)cc2)NC1=O 12409902 LRPPUTKXAIUHLB-JJMMYFGJSA-N 396.874 4.601 30 40 GJEB CCOc1cccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 19861264 BPDMYVTUWGEGHQ-ZXVVBBHZSA-N 397.522 4.807 30 40 GJEB N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 78947397 YUGYIXSVRKEQNS-QZTJIDSGSA-N 387.252 4.500 30 40 GJEB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 118916074 PWQGLTOZXWPJJS-CZYACPASSA-N 394.559 4.789 30 40 GJEB CSC1=N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(C)=O)=C(C)N1c1ccccc1 408731296 LOIKKAVRPFDJGY-LJQANCHMSA-N 381.457 4.738 30 40 GJEB CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 936378 HOKHULJQBTWQAB-ZRDIBKRKSA-N 396.512 4.948 30 40 GJEB Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1 5642481 VIIILCVKYRZNQQ-CQSZACIVSA-N 394.525 4.813 30 40 GJEB CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 5967838 DTQRNIAVHDQBTH-FQEVSTJZSA-N 385.467 4.705 30 40 GJEB CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nn(-c4ccccc4)c(O)c32)cc1 5967842 DTQRNIAVHDQBTH-HXUWFJFHSA-N 385.467 4.705 30 40 GJEB COc1cc(C#N)cc(Cl)c1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 6126917 NKGKABVFZOQMJR-AWEZNQCLSA-N 394.858 4.630 30 40 GJEB CCOc1ccc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC 7699278 FUXGFRVLWQKBHL-VMPITWQZSA-N 378.371 4.600 30 40 GJEB O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1c[nH]c2ccccc12 18175674 MUXWUAZAZVKTSL-CXUHLZMHSA-N 398.285 4.822 30 40 GJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 32871428 SHRGOHGGDGMNQC-UHFFFAOYSA-N 398.466 4.752 30 40 GJEB O=[N+]([O-])c1ccc(Oc2ccc(/C=N/Nc3ccccc3)cc2)c([N+](=O)[O-])c1 59426492 NJVDBVNKPRTYDX-DEDYPNTBSA-N 378.344 4.741 30 40 GJEB COc1ccc(-c2cs/c(=N\N=C3/C[C@@H]4CC[C@@]3(C)C4(C)C)[nH]2)cc1OC 96299741 ZRHNAWSYXPVSQK-RDDKKIMNSA-N 385.533 4.863 30 40 GJEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(C(C)(C)C)C1=O 102787351 HXMJPQWFSMGKJN-MLSMKVKPSA-N 395.528 4.754 30 40 GJEB C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cccc1OC 408530335 KIECUZPUXDEGLH-UYRXBGFRSA-N 395.480 4.805 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2cccc(OCc3ccc(F)cc3)c2)c1 408595255 WCYZNEPDUARZHK-YDZHTSKRSA-N 380.375 4.864 30 40 GJEB CCCCCCOc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408880573 IIHPEXMNXJNQMU-XSFVSMFZSA-N 386.408 4.908 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc(Cl)cc1 409085822 ZUAVIHPYPDDGHX-ODLFYWEKSA-N 397.858 4.972 30 40 GJEB CCCN1C(=O)[C@@H](Cc2ccccc2OC)S/C1=N/c1ccc(OCC)cc1 409144121 JOZXCGCJTXVECN-QAHCAUCSSA-N 398.528 4.678 30 40 GJEB N#Cc1c(NC(=O)CSc2nc3ccccc3s2)sc2c1CCCC2 847420 IOHLHWMONFPKCU-UHFFFAOYSA-N 385.539 4.839 30 40 GJEB aggregator C=C1CC2(C[C@@H](c3ccccc3OC)O[C@H](c3ccccc3OC)C2)OC1=O 1613093 ONBOURZBYMXYJY-SFTDATJTSA-N 380.440 4.539 30 40 GJEB O=[N+]([O-])c1ccc(CO/N=C/c2c(-c3ccccc3)nc3sccn23)cc1 3029510 DAOVJZSKYOATEG-UDWIEESQSA-N 378.413 4.522 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 4696392 WSFMVNYCIXQLEE-ATVHPVEESA-N 399.855 4.602 30 40 GJEB Cc1cc(C)c(-n2c(C)cc(/C=N/Nc3ncccc3[N+](=O)[O-])c2C)c(C)c1 4712251 IFCNSWWJJWBWGM-FSJBWODESA-N 377.448 4.769 30 40 GJEB C/C(=N\NC(=S)Nc1cccc(C)c1C)c1ccccc1Br 4883871 CLAJMNLMBRGDDI-DEDYPNTBSA-N 376.323 4.777 30 40 GJEB CCCC/N=C1\S/C(=C\c2ccc(OC)cc2OC)C(=O)N1CCCC 5552189 LYBFJJBCHMQSKJ-PQDITWEDSA-N 376.522 4.576 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(Cl)c1 33730338 XXSKPTLOVGFCKT-FPOVZHCZSA-N 384.859 4.668 30 40 GJEB CCOc1cc(/C=C2/CC/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O 97992959 XCZVGQNLXBFKIM-MJZABRMRSA-N 380.440 4.725 30 40 GJEB O=C1C(=O)N(c2cccc(Cl)c2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102800940 VEBHJJSYJUPMRO-YDJIHCHBSA-N 389.838 4.966 30 40 GJEB C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(SC)cc1 224978518 YXVMXXOHYXJZLX-UHFFFAOYSA-N 387.448 4.809 30 40 GJEB C=CCN(c1ccccc1Br)S(=O)(=O)c1ccc(SC)cc1 224979427 NCVOPZNNANFFLJ-UHFFFAOYSA-N 398.347 4.552 30 40 GJEB Cc1cc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)ccc1Br 408859422 UEXJSUOIQOZSHF-UFWORHAWSA-N 382.641 4.625 30 40 GJEB N#Cc1ccccc1COc1ccccc1/C=N/Nc1ccc(C(F)(F)F)cn1 409098380 LEWVTLQQDKGZDL-KKMKTNMSSA-N 396.372 4.997 30 40 GJEB Cc1ccc(NC(=S)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 671771 LGBPTTDODLPOGR-HZHRSRAPSA-N 375.497 4.895 30 40 GJEB CCOC(=O)c1sc(/N=C/c2cc(Br)ccc2OC)cc1C 3233633 OILBPQVXLJFFFW-GIJQJNRQSA-N 382.279 4.755 30 40 GJEB N/C(Cc1ccc(Cl)cc1)=N\OC(=O)C(c1ccccc1)c1ccccc1 4550106 ADLOPRMTODPDPF-UHFFFAOYSA-N 378.859 4.530 30 40 GJEB COc1ccc(-c2nnc(S)n2/N=C\c2ccc(-c3ccccc3)cc2)cc1 4754761 PMRTYMUBLOBNDA-HAHDFKILSA-N 386.480 4.792 30 40 GJEB Cc1cc(C)n(-c2nc(Nc3ccccc3C)c(C#N)c3c2COC(C)(C)C3)n1 95472641 KQYWBVGDXMFDOO-UHFFFAOYSA-N 387.487 4.659 30 40 GJEB CCOc1ccc2ccccc2c1/C=N\OCC(=O)Nc1ccc(Cl)cc1 409369370 BNWFZXOIGBQHKD-QRVIBDJDSA-N 382.847 4.881 30 40 GJEB CC(=O)OC[C@H]1CC(=O)C=C2CC[C@H]3[C@@H](CC[C@@]4(C)[C@H](C(C)=O)CC[C@H]34)[C@@]21C 521205751 DHLPPJXZMGAVDG-BOBHTIECSA-N 386.532 4.513 30 40 GJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(OC)c(OC)cc32)cc1 816097 ZXTWPJRYNQIWKB-JOCHJYFZSA-N 393.483 4.913 30 40 GJEB COCCN1C(=O)/C(=C/c2ccccc2OC(C)C)S/C1=N\c1ccccc1 2141763 SXJNRVUGUFUJTF-BLFRMDKKSA-N 396.512 4.724 30 40 GJEB Cc1ccc2cccc(OCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2n1 12606687 FHSXATCONPMFKC-ZDUSSCGKSA-N 391.496 4.619 30 40 GJEB N#CCCN(C(=O)CN1CCC[C@@H]1c1ccccc1Cl)c1ccccc1F 57992798 PRRNVKUDFCLBNV-LJQANCHMSA-N 385.870 4.563 30 40 GJEB C#CCOc1ccc(Cl)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408559836 WTLXKXFKXFMMNX-GOSISDBHSA-N 378.280 4.784 30 40 GJEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cc(C(=O)O)ccc1Cl 408911728 CTNUZTPZKQQQKZ-AUEPDCJTSA-N 396.830 4.925 30 40 GJEB COc1cccc(/C=N\c2ccccc2F)c1OCc1ccc(C(=O)O)cc1 409187433 QHLVZLFBKBTSCV-CFRMEGHHSA-N 379.387 4.862 30 40 GJEB CN(/C=C/C(=O)c1ccc(-c2ccccc2)cc1)OC(=O)NC1CCCCC1 3118743 CMQRCJXAKUMNTQ-WUKNDPDISA-N 378.472 4.956 30 40 GJEB CCOc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cc(OCC)c1OCC 4570314 SIIXAEFKWKUCSO-UHFFFAOYSA-N 388.489 4.685 30 40 GJEB C[C@@H]1S/C(=N/N=C/c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O 4940656 MUXARSJULIEDTL-SVCNVDQGSA-N 391.471 4.833 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)cc1 5376474 IQUFDPXHGNYXTO-ZHZULCJRSA-N 396.512 4.938 30 40 GJEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 5409106 FKVMPXRFVCWZQL-HSZRJFAPSA-N 397.474 4.816 30 40 GJEB C=CCOc1ccc(C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)cc1OC 12325657 OSPFEPOIMWKSDI-UHFFFAOYSA-N 396.874 4.593 30 40 GJEB C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)N(C)C1(C#N)CCCCC1 14197941 MKWUSOWZLFDYFZ-GFCCVEGCSA-N 399.716 4.555 30 40 GJEB N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)s3)s2)cc1 23655704 GNPBHTKGKHYNBZ-UHFFFAOYSA-N 392.918 4.669 30 40 GJEB Cc1ccc(S(=O)(=O)/N=C(\O)CCc2ccc(-c3ccccc3F)o2)s1 40129889 GXIKBIVHFOVLPU-UHFFFAOYSA-N 393.461 4.734 30 40 GJEB CCN(Cc1ccc(C#N)cc1F)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 58312312 GSCRYMMKUWWFRM-UHFFFAOYSA-N 375.447 4.720 30 40 GJEB S=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1ccccc1 409186399 BOPUORXYSXVQFL-NDENLUEZSA-N 393.497 4.628 30 40 GJEB CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C 409318939 YUHDBKRVGUGPGS-UHFFFAOYSA-N 398.304 4.692 30 40 GJEB CC(C)c1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 4435982 LHTWNFFHKVQQEF-IIBYNOLFSA-N 390.512 4.879 30 40 GJEB C=CCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S 4616708 ZKAKPZIYTWYOOH-CYVLTUHYSA-N 397.521 4.532 30 40 GJEB CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1O 5336046 DTSYBTWSRRXFPD-VXLYETTFSA-N 395.240 4.763 30 40 GJEB N#Cc1ccc(F)c(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 11298371 BNHAUPGMMYNHTH-UHFFFAOYSA-N 393.801 4.939 30 40 GJEB COc1ccc(CCC(=O)Nc2sc(C)c(C)c2C#N)cc1Br 12913743 KETQZEXMEFJBFH-UHFFFAOYSA-N 393.306 4.579 30 40 GJEB CCOc1nc(-c2ccccc2)cc(-c2ccc(N3CCOCC3)cc2)c1C#N 13214999 YLWSMTNZPPKTIW-UHFFFAOYSA-N 385.467 4.523 30 40 GJEB CN1/C(=C\C(=O)COC(=O)c2c(F)cccc2Cl)C(C)(C)c2ccccc21 32942950 OYOIJVDMYSFUAP-WQRHYEAKSA-N 387.838 4.517 30 40 GJEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)c1 59302586 MQILKMUKTQWFAP-NDENLUEZSA-N 375.497 4.995 30 40 GJEB CC/N=C1\S/C(=C/c2cccc(OCc3ccc(C)cc3)c2)C(=O)N1CC 109596519 UDHXFKVLWOOKMN-QNQNADBQSA-N 380.513 4.886 30 40 GJEB CCc1cccc(C)c1-n1c(C)cc(/C=N/N2C(=O)c3ccccc3C2=O)c1C 164662800 XKVTVVIXQXZHRJ-AFUMVMLFSA-N 385.467 4.595 30 40 GJEB COc1ccc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)c(OC)c1 5376449 DVZWSCLLJAESIR-NDENLUEZSA-N 390.464 4.749 30 40 GJEB COc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)c(OC)c1 5551519 MYKNUYQJXWOCDZ-UDWIEESQSA-N 390.464 4.749 30 40 GJEB CCN(c1ccc2oc3ccccc3c2c1)S(=O)(=O)c1ccc(C#N)cc1 5937813 PVYQWMFASQYBBP-UHFFFAOYSA-N 376.437 4.673 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1onc(C(C)(C)C)c1[C@H]2c1ccc(O)c(O)c1 20723449 MPKLWPLZYLEYPF-INIZCTEOSA-N 382.460 4.584 30 40 GJEB Cc1c(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cnn1C 105262590 YXWCFPYLJKIHKI-JQPWZSEQSA-N 390.531 4.765 30 40 GJEB biogenic CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)ccc1OC 408924134 QJDLXJOMNZILDI-UHFFFAOYSA-N 395.499 4.527 30 40 GJEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OCC)c1 409098710 OUXMBSAHPDSIIB-SSDVNMTOSA-N 397.353 4.857 30 40 GJEB Cc1nn(Cc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)c(C)c1Cl 1072347 QVSWPAZSAXBCBJ-UHFFFAOYSA-N 378.863 4.520 30 40 GJEB CC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccccc2F)C=C1 4601490 PTICOGCOKGQUJO-UHFFFAOYSA-N 377.263 4.581 30 40 GJEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N/N=C/c1ccc(N(C)C)cc1 5455547 LZHSQOPADKXNHJ-CVKSISIWSA-N 396.498 4.742 30 40 GJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 6378425 UVAGUDAADROPTG-MRXNPFEDSA-N 394.780 4.870 30 40 GJEB N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ccc([N+](=O)[O-])cc1C=O 13574058 ZKOSSBCCGJJMHA-UHFFFAOYSA-N 379.372 4.631 30 40 GJEB Cc1ccc(COc2ccccc2/C=N\OCC(=O)Nc2ccc(C)cc2)cc1 33669019 SUOZHHGSIICNFY-MYYYXRDXSA-N 388.467 4.872 30 40 GJEB O=C(O)CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 95682138 QOUXPUNWZRSOCX-UHFFFAOYSA-N 392.111 4.795 30 40 GJEB C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1cccc(C)c1 408848383 YKWCMXSVHPLIGF-WRKLRJIISA-N 392.524 4.834 30 40 GJEB COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)ccc1C 408864083 SPOSBKXWMKDGFG-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB COc1cc(N2CCCCC2)ccc1/C=N/Nc1ccc(C(F)(F)F)cn1 409063405 BGJSIKLEDNMONL-WYMPLXKRSA-N 378.398 4.545 30 40 GJEB O=C1C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)c2ccccc21 1433886 QWKJXUATKCIXSI-UHFFFAOYSA-N 379.755 4.971 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccs1 2684828 PFBRZKMJVSHIEN-UHFFFAOYSA-N 375.906 4.821 30 40 GJEB FC(F)(F)/C(=N/OCO/N=C(\c1ccccc1)C(F)(F)F)c1ccccc1 4480763 CYUNBKKVERTLPN-KOJZRSEWSA-N 390.283 4.910 30 40 GJEB CCOc1cc(/C=N/Nc2nc3ccccc3s2)c(Br)cc1O 4655936 FGDMYJGVKNYOPE-GIJQJNRQSA-N 392.278 4.609 30 40 GJEB CCCC/N=C1\S/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1CCCC 5552196 MEMLHONDXHNOGJ-HGRLKPHYSA-N 390.549 4.966 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)c1C 8942629 RAGSXXGRMAIEOO-UHFFFAOYSA-N 398.532 4.773 30 40 GJEB CC1=C/C(=N\Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)C=C(C(C)C)C1=O 13764978 YUMJJHKJBTVBQR-AFUMVMLFSA-N 398.418 4.885 30 40 GJEB C=CCn1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc2c1=O 14902455 ZORTZTIRZMZCJX-UHFFFAOYSA-N 398.438 4.620 30 40 GJEB CSc1nc(NC[C@H]2CCCO2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 19820438 IGPXJCPZZIYUKR-MRXNPFEDSA-N 382.533 4.626 30 40 GJEB Cc1ccc(-c2noc(C3CCN(c4oc(C(C)(C)C)nc4C#N)CC3)n2)s1 80345312 ULYLWVJVUIWHLR-UHFFFAOYSA-N 397.504 4.648 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508454 LNURYWGKYJSNOL-TXXQZWLKSA-N 396.575 4.869 30 40 GJEB CCCCCCCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707302 MNMYWOWNEHBMDY-UHFFFAOYSA-N 394.559 4.802 30 40 GJEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408811918 KUTAOUNCVKWLIC-IWIPYMOSSA-N 380.488 4.582 30 40 GJEB CCN(CC)c1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)o1 409302439 DXOKZQZMMUIPDP-UHFFFAOYSA-N 392.503 4.766 30 40 GJEB O=C(c1cc(F)c(F)cc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243197 SMMADMIKHVEHJR-UHFFFAOYSA-N 378.112 4.755 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C#N)C1 648117 SRYKARZXDXIHJC-ZDUSSCGKSA-N 382.485 4.752 30 40 GJEB N#CCSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 3352325 STBWFRWPCIPKCF-UHFFFAOYSA-N 385.448 4.794 30 40 GJEB N#C[C@@]1(C(=O)c2ccc(Cl)cc2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 7141369 JORXUJWEMVJDEU-CTNGQTDRSA-N 395.846 4.556 30 40 GJEB CC(=O)Nc1sc(N/N=C/c2ccccc2Cl)nc1-c1cccs1 8739581 UGEVKEQAVXQQIO-GIJQJNRQSA-N 376.894 4.929 30 40 GJEB N#Cc1c(-c2ccc(Br)cc2)cn2c(=O)c3ccccc3sc12 12788642 OPBGZEIHSUXAIQ-UHFFFAOYSA-N 381.254 4.815 30 40 GJEB O=C(/C=C/Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 33654703 MAERYXCUIWNSBM-BQYQJAHWSA-N 377.271 4.639 30 40 GJEB C=CCN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)c2ccccc2)=N1 57401683 ZYUAVHBHZYADRJ-UHFFFAOYSA-N 399.903 4.506 30 40 GJEB Cc1ccc(C(=O)O)cc1/N=C/c1cccn1-c1ccc(Br)cc1 59302013 INMYBMLVTDAWFX-CIAFOILYSA-N 383.245 4.997 30 40 GJEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cccc(C)c1C 100538373 KCYJGJVFAAFWJA-LYBHJNIJSA-N 389.484 4.618 30 40 GJEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C)cc1 101284769 DHUNNRKWIQTREH-HXUWFJFHSA-N 382.508 4.779 30 40 GJEB C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 226335690 XBGNWTMVOYCZNC-BQYQJAHWSA-N 376.811 4.809 30 40 GJEB C=CCO/N=C1\C[C@H](C[C@H](C)SCC)CC(=O)[C@H]1/C(CCC)=N/OCC 257345421 WIZFOFCVSLIKJU-GEXFOGMQSA-N 382.570 4.865 30 40 GJEB C=CCOc1c(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cccc1OC 408535837 XCYZGXZDOQGNQE-AQTBWJFISA-N 397.521 4.974 30 40 GJEB CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC(C)C 2354678 ZSDYFFIJQCRNHI-QGZVFWFLSA-N 382.508 4.595 30 40 GJEB N#Cc1ccccc1OCCCN1CCC(c2nc3ccccc3s2)CC1 8991568 MCBPUMKXXMHRSB-UHFFFAOYSA-N 377.513 4.816 30 40 GJEB N#Cc1cccc(COc2ccccc2/C=N/NCc2ccc(Cl)cc2)c1 10118994 JOHABRNXAOXLGR-CVKSISIWSA-N 375.859 4.914 30 40 GJEB C[C@@H]1CN(Cc2ccccc2F)CCN1Cc1ccc(C#Cc2ccccc2)cc1 57731490 ZLIJMLXQVBSZFM-JOCHJYFZSA-N 398.525 4.932 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/N=c2/[nH]c(-c3ccc(Cl)cc3Cl)cs2)cc1 59193701 QDVDNFPWCGCMSU-UFWORHAWSA-N 393.255 4.893 30 40 GJEB CCOC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1 169805731 PQIXBODYFIAZBM-UHFFFAOYSA-N 388.345 4.637 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2cccc(F)c2)c1 408587964 ASWQFOGUSUSTPV-YDZHTSKRSA-N 380.375 4.864 30 40 GJEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1cccc(F)c1 408723510 VZIFBZUYGILDRA-ATJXCDBQSA-N 378.359 4.538 30 40 GJEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)N1C 408852206 DHADQXORMFRJBK-KGJCRGFQSA-N 394.327 4.933 30 40 GJEB CCCCOc1ccccc1/C=C1\SC(=Nc2ccc(OC)cc2)NC1=O 408878905 BPNDMWVORSAIGT-RGEXLXHISA-N 382.485 4.766 30 40 GJEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)c(Br)cc1O 408932340 VVXZRYAIGORCRI-ZBKNUEDVSA-N 389.171 4.628 30 40 GJEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)c(OC)c1 1440578 HUSYYBPNMLKJNC-HSZRJFAPSA-N 386.451 4.817 30 40 GJEB COc1ccc(/C=C/C2=CC(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC 1742008 WAPXWPLZLDBYAE-UEKDZROGSA-N 394.467 4.807 30 40 GJEB N#Cc1ccc(-c2ccc(F)cc2)nc1OC(=O)c1cccc(C(F)(F)F)c1 3125649 FDFMNNRFVQRIGB-UHFFFAOYSA-N 386.304 4.997 30 40 GJEB COc1ccc(/C=N/N(C(=S)Nc2ccccc2)c2ccccc2)c(OC)c1 4869563 VQNUMCKMGSINJV-XQNSMLJCSA-N 391.496 4.941 30 40 GJEB C=CCn1c(=S)sc2c(=O)n(Cc3ccc(-c4ccccc4)cc3)cnc21 6589153 SORRSIGXECVJRZ-UHFFFAOYSA-N 391.521 4.890 30 40 GJEB COc1ccc(/N=C2/S/C(=C\c3ccc(OC)c(Cl)c3)C(=O)N2C)cc1 97466883 YIVWPQAOMSBFLA-BBNBJWFKSA-N 388.876 4.591 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1cccs1 1427480 PWCDXDRAQGIELN-GOSISDBHSA-N 379.412 4.670 30 40 GJEB C=CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC 4471785 JQWFOEIQUHGMNX-RGEXLXHISA-N 391.467 4.902 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F 4869772 RXTOYZWXQSFLSG-SMIHKQSGSA-N 395.474 4.533 30 40 GJEB CCOc1ccccc1-c1nnc(/N=C(\O)[C@H]2CCN2C2CCCCC2)s1 19656006 WOXIFGYNRIPCMN-MRXNPFEDSA-N 386.521 4.599 30 40 GJEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1c(F)cccc1Cl)C2=O 20533333 ZOUGSAUPXZLIMD-ZDLGFXPLSA-N 375.827 4.643 30 40 GJEB COc1ccc([C@H]2CCCCCN2[C@H](C)C(=O)Nc2sccc2C#N)cc1 37474992 BEVUJTQTVZTCHY-DNVCBOLYSA-N 383.517 4.573 30 40 GJEB CCCCCCCCOc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1 102970771 PSHPEIVUWDAVNP-FZNBYNMYSA-N 384.472 4.654 30 40 GJEB CCc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408880272 FUZHPFKJLUPWRX-LPYMAVHISA-N 381.549 4.716 30 40 GJEB CC(C)(C)[C@@H]1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)cc2C1 689541 YIYRQLDTVZDTAA-QGZVFWFLSA-N 379.529 4.835 30 40 GJEB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 6409267 VGASQDJJEOPCME-LJQANCHMSA-N 384.479 4.742 30 40 GJEB CCOc1cc(/C=N/Nc2ccc(Cl)cc2)c(Br)cc1OC 6464385 AXYZVTOKYIJOIZ-VXLYETTFSA-N 383.673 4.956 30 40 GJEB C[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)C(=O)Nc1ccccc1C#N 8709797 NDSQYKANXLVMEC-HNNXBMFYSA-N 388.496 4.876 30 40 GJEB CC(/C=N\NS(=O)(=O)c1ccc(C)cc1)=C(c1ccccc1)c1ccccc1 31673012 LHGFQSFCOSIWLH-ULJHMMPZSA-N 390.508 4.781 30 40 GJEB N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 72304572 FHAONAAMVZNQRO-RXVVDRJESA-N 390.874 4.642 30 40 GJEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 208252400 BNMXXBFULDLPPK-JHAVZTMOSA-N 387.871 4.811 30 40 GJEB Cc1cc(N/N=C2\C(=O)Nc3ccc(C(F)(F)F)cc32)ccc1Br 223746129 MUDREFVCLFEZIN-UHFFFAOYSA-N 398.182 4.545 30 40 GJEB C=CCn1c(SCCC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 752721 YAZPSLXBUZNEQU-UHFFFAOYSA-N 378.563 4.634 30 40 GJEB O=C[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 1447470 UACDSWCDLIKUBD-CJNGLKHVSA-N 392.505 4.637 30 40 GJEB Cc1ccc(C)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccnc4)nn32)c1 5937190 QPPVYAFGBJHWSC-NRFANRHFSA-N 399.498 4.615 30 40 GJEB CCOc1ccc(Oc2ccc(NC(=O)COc3cccc(C#N)c3)cc2)cc1 6401899 AKRSSYJMVQMZAX-UHFFFAOYSA-N 388.423 4.767 30 40 GJEB Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1ccncc1)O2 6662705 IEBTXOOTJYCYKX-LNIAVRNISA-N 383.403 4.625 30 40 GJEB CCO[C@@H]1Oc2ccccc2C(=O)/C1=C/Nc1ccc2nc(SC)sc2c1 6710468 CYLCVHBNSYKQRX-KWRJMZDGSA-N 398.509 4.952 30 40 GJEB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]12C 12895776 ZNSPUNVBZGKQFL-JMOBLDIFSA-N 386.576 4.897 30 40 GJEB biogenic Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2cccs2)cc1 12925913 WFIGVOHPHITTNY-IERDGZPVSA-N 376.481 4.601 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1[N+](=O)[O-])OCO3 18197431 IHZCNGIYKFKUTM-HXUWFJFHSA-N 392.411 4.524 30 40 GJEB N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1ccc(Br)o1 96346318 ZXFRBUYGUBWNLL-LEDPUSKWSA-N 397.232 4.619 30 40 GJEB CC(=O)C1=C(NCCc2c(C)[nH]c3ccccc23)C[C@@H](c2ccccc2)CC1=O 100147526 ACQWRLWARXBVKW-LJQANCHMSA-N 386.495 4.598 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2c(C)cccc2CC)n1C 408561019 VDWIPSXFOAIRNN-UHFFFAOYSA-N 388.581 4.930 30 40 GJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc(C(=O)O)cc2)c1C 408913717 NHFLTUHHUXIBTK-FSJBWODESA-N 376.412 4.550 30 40 GJEB Cc1cc(N(CCC#N)CCC#N)ccc1/C=C/C(=O)Nc1ccccc1Cl 1626592 RXMFOKVXCVDROK-PKNBQFBNSA-N 392.890 4.934 30 40 GJEB O=C1N/C(=N/N=C(/Cc2ccccc2)c2ccccc2)S[C@H]1c1ccccc1 4189857 WZBSNTFNJNRRLN-QFBZFQIZSA-N 385.492 4.594 30 40 GJEB C[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2cccc3ccccc23)C1=O 4898910 JTIXOKHHQDAOMG-LZKUZYFISA-N 379.510 4.755 30 40 GJEB CCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 4899142 OXQUGQKLUWCXPA-VOSQQLOXSA-N 383.492 4.768 30 40 GJEB CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 5081243 DEXMWPWCKJZPOT-ZWKOTPCHSA-N 394.519 4.597 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(\CC)c2ccc(OC(F)F)cc2)cc1 5694519 HVJYDEJUIZWVKN-HAVVHWLPSA-N 393.459 4.787 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13476987 LSHODPFAMAGXGU-LDADJPATSA-N 391.408 4.746 30 40 GJEB CC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1ccccc1 17207203 DEGQLUDNLRUZQM-BWEIHUDISA-N 395.528 4.754 30 40 GJEB CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCc3c(Cl)cccc32)c1C#N 65878194 XUHMUXSXGYYPCU-KRWDZBQOSA-N 383.904 4.623 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccs1 96129782 KVZFLJYASPWZRJ-RNODOKPDSA-N 399.537 4.734 30 40 GJEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 100116513 PCMFMGIDNRGCQJ-CIAFOILYSA-N 378.388 4.970 30 40 GJEB CCCC/N=C1/SCC(c2cc(C)n(CCc3ccccc3)c2C)=NN1C 105786038 AUIJJAFGGMNXFP-GHVJWSGMSA-N 382.577 4.886 30 40 GJEB N#CC1(c2ccccc2)CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 225637467 LAGOTFDPZSQJOF-UHFFFAOYSA-N 389.480 4.633 30 40 GJEB C=CCOc1cccc(NC(=O)CSCc2ccc(Br)cc2)c1 408577349 ZRNSZLHAAQGZLY-UHFFFAOYSA-N 392.318 4.886 30 40 GJEB COc1ccc(OC)c(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c1 408862889 NKETZAVKTOPMKE-YVLHZVERSA-N 388.876 4.557 30 40 GJEB C=CCOc1c(CC=C)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC 409091863 SRVMUNAFJYYSGO-HKWRFOASSA-N 389.451 4.723 30 40 GJEB CCN1C(=O)/C(=C\C=C\c2ccc(OC)cc2)S/C1=N/c1ccc(OC)cc1 409244022 WMBHDLAGYPVYFH-HYYNFHDDSA-N 394.496 4.884 30 40 GJEB C=CCOc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409303908 ILJNXJLKLDOFNC-UHFFFAOYSA-N 387.483 4.891 30 40 GJEB COc1ccc(Cl)cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385812 YQQQPOBSCGGNCR-ZVHZXABRSA-N 389.842 4.608 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC 2055146 NRXOHFUGFJDXIW-OAQYLSRUSA-N 397.515 4.643 30 40 GJEB C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccn1 2264205 YYRTYOWWMKHDTB-UHFFFAOYSA-N 386.480 4.654 30 40 GJEB Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1 2282640 ZIKMVSKDOQPDNT-UHFFFAOYSA-N 382.073 4.529 30 40 GJEB COCCN1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)S/C1=N\c1ccccc1 2777134 QHEDXUMVDIWRTO-NJMAKWBESA-N 391.496 4.727 30 40 GJEB CN(/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 4595666 UNVYPRQZSMDVIN-PCLIKHOPSA-N 396.450 4.692 30 40 GJEB C/C(=N\S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(C)c(O)cc1C(C)C 4619034 AQRFOBQCZWGTLQ-UHFFFAOYSA-N 380.897 4.697 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1 4713114 NYLXTBQEEULCEF-SSDVNMTOSA-N 387.321 4.517 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccc(Br)c1 5427947 CALAZVTTYWYEGX-UFWORHAWSA-N 388.143 4.822 30 40 GJEB COc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 8116586 MMEJBZIEVVJWQH-OEAKJJBVSA-N 392.411 4.942 30 40 GJEB C=CCN(CC=C)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12 19791813 FYGZTVRORNSAOF-UHFFFAOYSA-N 381.859 4.993 30 40 GJEB biogenic COc1ccc(N2CCN([C@H]3CCCCCCCCCC/C3=N/O)CC2)cc1 100964975 CJUWENNSCVVIAQ-FEYWKWKCSA-N 387.568 4.931 30 40 GJEB CCCCN1C(=O)/C(=N\Nc2ccnc3cc(Cl)ccc23)c2ccccc21 103102293 DONUBNLZVOZHSR-QQTULTPQSA-N 378.863 4.851 30 40 GJEB Cc1cc(C#N)c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 215682871 XWQJAKUUIDWHMW-HOTGVXAUSA-N 379.529 4.525 30 40 GJEB COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1Cl 408955663 YDPTWIFXJRCEET-OEAKJJBVSA-N 381.863 4.734 30 40 GJEB CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 4699167 BRSJKIOZNUNUCU-RGVLZGJSSA-N 385.316 4.603 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)cc1 5376453 WTBZRTQLICFCFU-ZHZULCJRSA-N 396.512 4.938 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(/C=C/c2ccc(N(C)C)cc2)C[C@H]1c1ccccc1 5446667 ZDGOXDDEKRMVBJ-GPJZNVRBSA-N 389.495 4.628 30 40 GJEB Sc1nnc(-c2ccncc2)n1/N=C/c1c2ccccc2cc2ccccc12 5650278 AMZOJDGKGOROEA-ZVHZXABRSA-N 381.464 4.817 30 40 GJEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5997771 XTACPMJBYYAWPB-QBHXNYKNSA-N 393.222 4.550 30 40 GJEB COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2c(C)cc(C)cc2nc1Cl 883107 JFRHERUJOVYVNL-MRXNPFEDSA-N 393.874 4.835 30 40 GJEB Cc1sc2c(c1C)C(=O)NC1=C(C(=O)c3ccccc3)c3ccccc3CN12 3187593 WHCVSDIAOWVIBN-UHFFFAOYSA-N 386.476 4.680 30 40 GJEB N#Cc1ccccc1COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 3523559 NHGWTYDSFDCNSA-UHFFFAOYSA-N 375.811 4.800 30 40 GJEB COc1cc2c(cc1OCc1ccccc1)CCN(C(=O)c1ccccc1)[C@@H]2C#N 3847278 VGIJPSBSXFPKOG-JOCHJYFZSA-N 398.462 4.537 30 40 GJEB biogenic Brc1cc(/C=N/Nc2ccccn2)ccc1OCc1ccccc1 5741033 WAGKKPZOKFBXFA-LPYMAVHISA-N 382.261 4.869 30 40 GJEB C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1c[nH]c2ccccc12 19682472 CTKVQQDTOWYBLG-MTDXEUNCSA-N 392.506 4.889 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(Cl)c1 33730339 XXSKPTLOVGFCKT-TZIWHRDSSA-N 384.859 4.668 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl 408902472 OECLHQSDHANACB-MHWRWJLKSA-N 385.250 4.812 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1c(C)cccc1C 408906429 BKTAXBYLCQVAJP-XUHQXNLQSA-N 394.496 4.714 30 40 GJEB FC(F)(F)c1cnc(N/N=C/c2ccc(Br)cc2)c(Cl)c1 4963921 WKGXDFDRVNTZRP-CGOBSMCZSA-N 378.579 4.962 30 40 GJEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 5691027 QQLGWUKQPDGPCP-OAQYLSRUSA-N 387.410 4.917 30 40 GJEB N#C[C@@H](C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(C(F)(F)F)cn1 48828725 QRIDOARAMLEDRA-QGZVFWFLSA-N 384.357 4.754 30 40 GJEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)o2)S1 59138444 VJHFQPOUVWXDSN-WJDWOHSUSA-N 387.892 4.733 30 40 GJEB CCOc1cc(/C=N/O)cc(Br)c1OCc1cc(C)cc(C)c1 408941739 PPFNQEUPVZZURZ-KEBDBYFISA-N 378.266 4.852 30 40 GJEB COc1cc(/C=N/c2ccc(C(C)=O)cc2)ccc1OCc1ccc(C(=O)O)o1 409385000 HISSFGPURUGPFU-FSJBWODESA-N 393.395 4.519 30 40 GJEB Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 4118233 OUKGNBVQMXQZJO-UUILKARUSA-N 386.403 4.839 30 40 GJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2c1C 4849111 RJQIFDUNEVRHRQ-UHFFFAOYSA-N 390.512 4.520 30 40 GJEB O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccccc1Cl 5550952 NALKWZMASJFYGD-ZROIWOOFSA-N 393.693 4.994 30 40 GJEB C[C@H]1C[C@@H](C)CN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)C1 12418854 SABUFLNQWUCUQM-IYBDPMFKSA-N 377.444 4.868 30 40 GJEB N#Cc1ncn(-c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)n1 13005822 UXFDLJSFAONCTK-UHFFFAOYSA-N 386.465 4.539 30 40 GJEB N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccc(Cl)cc2Cl)nc1N 19832475 RESRLQAURGKNPP-UHFFFAOYSA-N 384.222 4.905 30 40 GJEB Cc1noc2c1[C@@H](c1ccsc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 20724628 YCDKFTRVRHGDJY-AUUYWEPGSA-N 378.453 4.708 30 40 GJEB N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)nc1 24756016 RKZFZMJRGQMIIZ-UHFFFAOYSA-N 398.466 4.601 30 40 GJEB C=CCN(C(=O)c1cccc(OCCOC)c1)c1nc(-c2ccccc2)cs1 52954798 UPKHRQXHERTDCN-UHFFFAOYSA-N 394.496 4.668 30 40 GJEB Cc1ccsc1[C@@H](C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O 100005177 CUQFERRNYYMHFF-LJQANCHMSA-N 388.529 4.916 30 40 GJEB CCCn1c(-c2ccc(C#N)cc2)cs/c1=N/c1ccc2c(c1)OCCO2 102198382 GTXYKVVLMOQVCS-XTQSDGFTSA-N 377.469 4.502 30 40 GJEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 226694718 DKROTHIIHUFWJN-LUYDZPPYSA-N 380.447 4.524 30 40 GJEB N#CCn1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc21 408633292 JRXCGWHOOMNDHG-WQRHYEAKSA-N 375.409 4.524 30 40 GJEB COc1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)ccc1OCc1cccc(C)c1 408977814 FTMADWYNLMIRCR-UHFFFAOYSA-N 399.494 4.808 30 40 GJEB C/C=C1\CN2CC[C@]34C(=C(C=NNc5ccccc5)[C@H]1C[C@@H]23)Nc1ccccc14 1559568958 OJZNJHNPLYYHOW-XGARVLSUSA-N 382.511 4.756 30 40 GJEB N#Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCCC2 4079243 XJUZHJNMMHYEKU-UHFFFAOYSA-N 383.454 4.874 30 40 GJEB COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)cc2Cl)c1 5932610 QFIPTUAPACLQQH-DJKKODMXSA-N 379.272 4.805 30 40 GJEB N#CCSc1ccccc1NC(=O)CNc1ccccc1N1CCCCCC1 29934510 PGANLEKCKWPAET-UHFFFAOYSA-N 394.544 4.733 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2CC(C)C)cc1 408908506 FKIHGECFBNHQGH-FFXWWKDOSA-N 394.496 4.953 30 40 GJEB CC(C)(C)[C@]1(C#N)C(=O)[C@@H]2[C@@H]3[C@@H](CC[C@@H]21)C(=O)C3(c1ccccc1)c1ccccc1 607706721 OREHZVPSPLOUAD-RZFRIWOHSA-N 397.518 4.953 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc2ccccc12 2757296 KSRRNAAIWZZHMB-JOCHJYFZSA-N 375.468 4.761 30 40 GJEB Cc1cc(C)c2nc3c(cc2c1)CN(CCCO)/C(=N/c1ccccc1)S3 4858448 VAIFWHYNFIZRDY-FCQUAONHSA-N 377.513 4.829 30 40 GJEB Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c2ccccc21 9423223 FVHILOGSVHZYAA-SRZZPIQSSA-N 385.375 4.607 30 40 GJEB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C#N 225777641 IJGWRNJMPJASFW-UHFFFAOYSA-N 398.890 4.687 30 40 GJEB Cc1ccc(C[C@H]2S/C(=N\c3nccs3)N(c3ccccc3)C2=O)cc1 2706972 ROEGWSMDRYZGRT-SLNYWTKHSA-N 379.510 4.830 30 40 GJEB Cc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1C(=O)O 4738518 NEQAQVJKHPTAFU-BUVRLJJBSA-N 390.439 4.540 30 40 GJEB CCc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c(C#N)cc2c1 4848934 JITLWNNLPUDIBN-UHFFFAOYSA-N 389.480 4.602 30 40 GJEB CCOc1cc(Cl)cc(/C=N/c2ccc(OC)c(Br)c2)c1O 6464395 QREWJSWKMWHIPM-DJKKODMXSA-N 384.657 4.966 30 40 GJEB N#Cc1c(NC(=O)CCN[C@H]2CCCc3ccccc32)sc2c1CCCCC2 6510194 JSLAMBISHPPJAL-FQEVSTJZSA-N 393.556 4.884 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 6757104 OGTXUAPVOACWND-PDGQHHTCSA-N 391.408 4.746 30 40 GJEB N#CCC[C@H](C#N)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 7112432 SVMPFPMNNLACJV-SNVBAGLBSA-N 399.423 4.716 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C)cc1 8362981 KOSFGWFHOPBGKA-FOLIBTTPSA-N 382.485 4.636 30 40 GJEB CN(c1ccccc1)c1ccc(/C=C2\C(=O)ON=C2c2ccc([N+](=O)[O-])cc2)cc1 12416450 JZCQHMRLHIODDX-QNGOZBTKSA-N 399.406 4.707 30 40 GJEB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2cc(OC(=O)C3CC3)ccc21 13778476 MYDXUKCCMOIFAN-IUXPMGMMSA-N 375.207 4.925 30 40 GJEB CCCCN1C(=O)CS/C1=N\c1nn(Cc2ccccc2Cl)cc1Cl 17081228 VANPPTKKGRRZGT-JZJYNLBNSA-N 397.331 4.601 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 20044237 NKSZZFOZLCLNHL-OAQYLSRUSA-N 388.467 4.552 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 35040851 GPFIOWZFCIEXIZ-XDHOZWIPSA-N 395.505 4.860 30 40 GJEB CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccccc1 408907854 PKRMJDRFQMNHTO-LTQOCESHSA-N 382.485 4.718 30 40 GJEB CCCCc1ccc(-n2c(C)cc(/C=C3/S/C(=N/C)N(C)C3=O)c2C)cc1 408929840 OUAVGBUFDPUNAO-XATRHVNRSA-N 381.545 4.969 30 40 GJEB C=CCOc1ccc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 408975161 IOEHSURGMAUCGJ-QGZVFWFLSA-N 395.509 4.687 30 40 GJEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 5791209 ALYYALWJRRFUQD-WTLZDUFCSA-N 379.529 4.856 30 40 GJEB C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)c1ccccc1 6359205 AHLPNFKQZCOSCM-UHFFFAOYSA-N 393.512 4.581 30 40 GJEB Cc1ccc(C[C@@H](C#N)Sc2nnc(COc3ccccc3Cl)n2C)cc1 6587624 RKDHUSFYZAJXLO-INIZCTEOSA-N 398.919 4.583 30 40 GJEB O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2c(c1)OCCO2 6945099 JHBSNGLMFUGQJX-FNORWQNLSA-N 377.352 4.522 30 40 GJEB C=CCN1C(=O)[C@H](Cc2ccccc2C)S/C1=N/N=C/c1ccc(Cl)cc1 11690442 NNPQUHJBNDBINN-RDSDJNLHSA-N 397.931 4.711 30 40 GJEB COc1ccc(/C=N\Nc2cc(C)nc3cc4c(cc23)OCO4)c2ccccc12 31769275 CKOMSNKOFOULQF-MSXFZWOLSA-N 385.423 4.880 30 40 GJEB CCCCC[C@@H](/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)OC)OC(C)=O 38261762 KURMKPDMINCWHJ-SGGBFQIHSA-N 390.520 4.716 30 40 GJEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(F)cc1 101284775 PHYKNJWPGRMEQB-LJQANCHMSA-N 386.471 4.610 30 40 GJEB C#CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl 408535170 YERDHUQOXYELDO-PDGQHHTCSA-N 382.872 4.552 30 40 GJEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/Nc2nc3ccccc3[nH]2)c1C 408587049 DSBNOCPHMIZFLL-WSDLNYQXSA-N 388.431 4.633 30 40 GJEB CN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 409088554 KIUGTRGREIFALA-VXMHBOQLSA-N 381.476 4.660 30 40 GJEB C=CCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 2126796 OQMWOSDRKYQRQV-CVJKAFSHSA-N 388.511 4.587 30 40 GJEB biogenic O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 5377075 DRVAVULXJDZMDJ-FYJGNVAPSA-N 392.371 4.528 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)cc2)cc1 6187907 KWVUJULFQGGCBN-NRFANRHFSA-N 387.435 4.675 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O 6864994 ZCGKDSCSYPXRNW-SRZZPIQSSA-N 375.340 4.565 30 40 GJEB CCCCOc1cccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)c1 12410808 LDJVYLWJKLMWGU-UHFFFAOYSA-N 395.528 4.742 30 40 GJEB N#Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1Cl 12832440 AIYZHSSBSLAVNU-UHFFFAOYSA-N 394.837 4.668 30 40 GJEB CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc(Cl)c1O 33291580 NBXHOAGEDTWXRW-YBEGLDIGSA-N 388.876 4.644 30 40 GJEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(Br)o3)S2)c1 59426808 ZGJCMUQMTAHHIN-JYRVWZFOSA-N 377.263 4.551 30 40 GJEB C=CCOc1c(Br)cc(C(=S)N2CCC(C)CC2)cc1OCC 107990053 AWJIDDPVBRSSTI-UHFFFAOYSA-N 398.366 4.820 30 40 GJEB CCn1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 118916061 FIYXFGTYJVDMTO-RFPGKFGOSA-N 394.559 4.789 30 40 GJEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 408560689 NOKHHGBIQOCTNS-UHFFFAOYSA-N 399.347 4.844 30 40 GJEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 408978108 YDBDGVPBHMZGFO-FXVMGJAWSA-N 387.458 4.593 30 40 GJEB CCc1ccc(-c2n[nH]c(SCC[C@](C#N)(C(C)=O)c3ccccc3)n2)cc1 1651637396 CRIHERFOKYOMKY-QFIPXVFZSA-N 390.512 4.567 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc2c(c1)OCO2 5551757 PMFWMIZPAJTVSH-UUASQNMZSA-N 393.251 4.614 30 40 GJEB COc1ccc(/C=N/n2cn[nH]c2=S)cc1COc1ccc(C(C)C)cc1 7009520 PARJLLJSOUOLKP-SSDVNMTOSA-N 382.489 4.534 30 40 GJEB C=CCn1c(SCCOc2ccc(OC)cc2)nnc1-c1cccc(C)c1 7341939 FHZLTDSJGRLLEQ-UHFFFAOYSA-N 381.501 4.619 30 40 GJEB O/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 11993268 NUKHRDSOJQJXLQ-IUXPMGMMSA-N 385.055 4.599 30 40 GJEB CC(C)c1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608144 UWFUJNLSBYFVBU-PIGZYNQJSA-N 390.409 4.688 30 40 GJEB N#C[C@@H]1[C@@H](c2ccccc2OCc2ccccc2)CC(=O)N1Cc1ccccc1 26896053 CKJFHSWJICRUCJ-DHIUTWEWSA-N 382.463 4.674 30 40 GJEB CC(C)(C)c1cc(/C=N\Nc2cnnc(O)c2Cl)cc(C(C)(C)C)c1O 31858827 NKTQHAQTPXEYSG-NKVSQWTQSA-N 376.888 4.582 30 40 GJEB CCCCn1c(C)c(C(=O)OCC)c2cc(OCC#N)c(Br)cc21 36453957 YMYVQZVKBNMCPL-UHFFFAOYSA-N 393.281 4.591 30 40 GJEB N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCCSCC2)cc1Cl 95351922 MJGXKMDDDLHTDM-GOSISDBHSA-N 385.920 4.966 30 40 GJEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)s1 225712978 VWNWLMQVKXTQAL-HNNXBMFYSA-N 391.562 4.910 30 40 GJEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 408562324 OVUNQIXKCIHMQK-UHFFFAOYSA-N 398.454 4.556 30 40 GJEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408775747 RTNAKKXUMBIPLV-WSDLNYQXSA-N 377.400 4.760 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)OC)cc2)C(=O)N1CC 408915015 OTSUTSNVJUBCDM-XGHAMVSDSA-N 394.496 4.660 30 40 GJEB COc1cc(/C=N/O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409076555 AMBZIZNSOPDGPS-IFRROFPPSA-N 390.701 4.876 30 40 GJEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3occc3C)cc12 409302324 DENOTTKYWRHMAF-UHFFFAOYSA-N 399.406 4.602 30 40 GJEB COC(=O)c1ccc(Cn2cc(/C=N/c3cccc(F)c3)c3ccccc32)o1 409391548 IPCQUEWSSKMUHY-WYMPLXKRSA-N 376.387 4.959 30 40 GJEB Cc1ccc(NC(=O)CCCC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1C 1613978 ONXYVPLYUPOZON-KRWDZBQOSA-N 391.496 4.898 30 40 GJEB CCCC(=O)NC(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 3082555 QIQNRNZZSIFLOW-UHFFFAOYSA-N 396.253 4.855 30 40 GJEB Cc1ccccc1C(=O)/N=C1/C=C/C(=N\C(=O)c2ccccc2C)C(Cl)=C1 6413070 BUXRWTAQHICAAD-DPMQLOEUSA-N 376.843 4.859 30 40 GJEB Cc1ccc(N/N=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1Cl 6597968 IQICLWSDQLISMY-SSDVNMTOSA-N 399.863 4.944 30 40 GJEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)CCCC 13728960 MWWWKQQZAMLKNU-UHFFFAOYSA-N 388.533 4.561 30 40 GJEB Cc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C[C@@H]2CCCO2)cc1C 16656101 QXYNHXALMSKQAY-SFHVURJKSA-N 397.544 4.503 30 40 GJEB CCNC(=S)N/N=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12 33733922 YSJWOLBVOSOAFJ-ZVHZXABRSA-N 377.513 4.545 30 40 GJEB CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 85409840 ACPNRXNRTBVUKP-MRXNPFEDSA-N 396.493 4.550 30 40 GJEB O=C(O)/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 95682137 VMBSSRTXPFBWQQ-OWOJBTEDSA-N 390.095 4.571 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc3ccccc3c2O)cc1 104218036 MUZUTIMJQHYCFB-OEAKJJBVSA-N 379.485 4.655 30 40 GJEB CCn1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 118916035 CWICEVOQFOQFIA-QYXDGFLCSA-N 396.575 4.869 30 40 GJEB C/C(=N/O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 118917608 LTIHRQTXIOHGBO-BTPMSXQNSA-N 376.541 4.687 30 40 GJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OCC)c1 216830185 INNAGBLNXSTFGT-UHFFFAOYSA-N 397.229 4.900 30 40 GJEB COc1cc(/C=N/Cc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 408965453 HOVYNGJJEKUBEV-BUVRLJJBSA-N 375.424 4.592 30 40 GJEB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(C#N)cc1 4079259 KWWWQNQOXLIXED-UHFFFAOYSA-N 376.437 4.716 30 40 GJEB Clc1ccccc1OCCn1cccc1/C=N/N=c1/[nH]c2ccccc2s1 5119006 FOSNNOYXDSEAMD-HYARGMPZSA-N 396.903 4.698 30 40 GJEB CCOC(=O)C/C(C)=N/Nc1ncnc2scc(-c3ccc(Cl)cc3)c12 5478373 RDCKFAOCWKVDQX-SSDVNMTOSA-N 388.880 4.753 30 40 GJEB COc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccn2)cc1 5540851 ZFHOIJKCYHCWHT-FQPALTHISA-N 386.451 4.763 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(Cl)c3)c2C#N)C1 6764137 WPUXTTBDHBLPQY-SNVBAGLBSA-N 389.933 4.525 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1cccc(Br)c1 16386109 BGHBLACRINUDBY-ZROIWOOFSA-N 393.693 4.994 30 40 GJEB CC(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccs2)cc1 18222372 CUZCIZKXDZNJEI-IIBYNOLFSA-N 390.512 4.879 30 40 GJEB Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(C#CC(C)(C)O)cc2)nc1 19215484 DIZHTOKAJSMUCQ-QHCPKHFHSA-N 390.552 4.648 30 40 GJEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OC 408911156 YVKTVJUKYYMQGL-NFYBBCHUSA-N 382.485 4.716 30 40 GJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(N2CCCCC2)cc1 408960249 KDZPDLOTSRXBTD-RGEXLXHISA-N 381.476 4.708 30 40 GJEB C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 409123462 HDQUZGUSVQKMGD-KQWNVCNZSA-N 397.478 4.840 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1C 2437143 QTKIKSLUFJTUJJ-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB O=C(/N=C1\c2ccccc2CN1c1ncccn1)c1ccc(-c2ccccc2)cc1 3289439 GYBACBTXMVXFFO-WEMUOSSPSA-N 390.446 4.751 30 40 GJEB O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(I)cc2)c1 4719290 XDVMISSAPHCKRF-LZYBPNLTSA-N 386.576 4.603 30 40 GJEB CCOc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1 6962637 SUFFFTZYXFRTSJ-CJLVFECKSA-N 381.453 4.604 30 40 GJEB CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N 8843597 RPKAULWXDRUONG-UHFFFAOYSA-N 393.434 4.646 30 40 GJEB C=CCn1c(SCc2coc(-c3ccc(F)cc3)n2)nc2sccc2c1=O 12753595 IBBJDYAVFQBAOS-UHFFFAOYSA-N 399.472 4.730 30 40 GJEB Fc1ccc(-c2cs/c(=N\Cc3ccccc3)n2/N=C/c2cccnc2)cc1 15910150 KWEJZKOJFBIELL-XEDGUOHGSA-N 388.471 4.734 30 40 GJEB CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(C(F)(F)F)nc1C 24756403 UWIQCCIZHXWJRL-UHFFFAOYSA-N 384.741 4.552 30 40 GJEB CC(=O)Nc1sc(N/N=C\c2cccc(Cl)c2)nc1-c1cccs1 31906046 SNNXIDMPRRJETB-NVMNQCDNSA-N 376.894 4.929 30 40 GJEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647775 BXSGHGTZBPRIOM-RIYZIHGNSA-N 393.346 4.505 30 40 GJEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102569097 MERQXSPVDVQJSL-WOOAAIBNSA-N 393.826 4.555 30 40 GJEB CCOc1ccc(/C(C)=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 409050890 CHCJFFQFMQQUJE-FYJGNVAPSA-N 382.445 4.953 30 40 GJEB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cn2c(nc3ccccc32)c1C#N 2347595 UOBFLWZAGZTHOL-UHFFFAOYSA-N 394.356 4.939 30 40 GJEB COc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(OC)c1OC(C)=O 5163076 DNLQZHDIZNKTRH-LFVJCYFKSA-N 390.439 4.801 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1 12545810 JDSOBEWJUHQLFD-UHFFFAOYSA-N 397.463 4.542 30 40 GJEB COc1ccc(CCNc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1OC 16741587 WAFPSNMQUVHMAE-UHFFFAOYSA-N 383.835 4.538 30 40 GJEB O=[N+]([O-])c1ccc(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 30902161 DYHMZRMRTVBYIQ-IOMHPIHLSA-N 381.207 4.616 30 40 GJEB O=C(OCC(F)(F)F)N(C(=O)OCC(F)(F)F)c1ccc(F)cc1Cl 95945966 WREPUFCVGREBBM-UHFFFAOYSA-N 397.630 4.683 30 40 GJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](F)C[C@]12C 118933256 RFOAVWDSMLIUEY-MUVPWNSGSA-N 394.914 4.926 30 40 GJEB C#CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 216821893 KHMUZURVNZATRY-UHFFFAOYSA-N 379.239 4.761 30 40 GJEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(N(C)C)cc1 408741477 PZBKVTMBHHYNDC-HYARGMPZSA-N 377.448 4.514 30 40 GJEB O=C(NCc1ccccc1)c1c(/N=C\c2ccncc2)sc2c1CCCC2 408778530 VVEOWBGBKSREQT-MYYYXRDXSA-N 375.497 4.703 30 40 GJEB CCC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1691633 FOEWOVDSUXQZCV-PXFMPXEPSA-N 386.532 4.799 30 40 GJEB biogenic CCO[P@@](=O)(C#Cc1ccccc1)[C@H](O)c1ccc(Br)cc1 2320465 FDZBNGFRCJXPSR-JTSKRJEESA-N 379.190 4.764 30 40 GJEB FC(F)(F)c1ccc(Cl)c(N/N=C/c2ccc(N3CCOCC3)cc2)c1 4867123 ZDRLKPGIIYVLMB-FSJBWODESA-N 383.801 4.641 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(-c2ccccc2Cl)o1 5322477 QHEFELKSIFTQDS-LJQANCHMSA-N 394.862 4.850 30 40 GJEB CC[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 6734901 ZCQOMHVQWLUNEX-KRWDZBQOSA-N 394.525 4.834 30 40 GJEB C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccncc1 6907633 QPTQXNUGECTPNG-UHFFFAOYSA-N 391.525 4.942 30 40 GJEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 19867059 PKBIRFKIXJLZQG-IBGZPJMESA-N 387.907 4.896 30 40 GJEB Cc1cccc(/C=N/c2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1O 38162652 ZARSOVSXVBEHPG-WYMPLXKRSA-N 390.826 4.905 30 40 GJEB CC/N=C1\S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1CC 59104706 MOCNKLIEGLTMCZ-QFGKFHJGSA-N 384.476 4.717 30 40 GJEB C#CC[C@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1ccccc1 95441693 QJJMPEAPJQHGRG-QFIPXVFZSA-N 386.499 4.941 30 40 GJEB CC/N=C1/S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1CC 408931695 PBOJWCBNFWZLOB-TZIVZOBOSA-N 384.476 4.717 30 40 GJEB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1F 3322610 NRZXXVRRHFIRGJ-UHFFFAOYSA-N 387.276 4.664 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc3cc(OC)c(OC)cc3c2)cc1OC 5352795 WYQLNSDDJSDZQX-RMKNXTFCSA-N 378.424 4.770 30 40 GJEB COc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(C)cc2)c2ccccn2)cc1 5540858 ZFHOIJKCYHCWHT-GTQRJEEMSA-N 386.451 4.763 30 40 GJEB COC(=O)c1ccccc1/N=C/c1ccc(-c2cc(Cl)ccc2C(=O)OC)o1 6579650 ZVPYRJNFSPICHV-FSJBWODESA-N 397.814 4.924 30 40 GJEB O=C1C(=O)N(c2cccc(Cl)c2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102800942 VEBHJJSYJUPMRO-NHFXJNLRSA-N 389.838 4.966 30 40 GJEB Cc1ccc(/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1C 408844819 DBUUAHXEOJTCLZ-WYMPLXKRSA-N 390.439 4.858 30 40 GJEB O=C1/C(=C/c2cc(Br)cc(Br)c2O)Cc2ccccc21 409373054 SKORZCDWOSMYDW-UXBLZVDNSA-N 394.062 4.740 30 40 GJEB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 7279995 VVODPZZAZIMJLU-UHFFFAOYSA-N 397.478 4.960 30 40 GJEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(Cl)cc2)cc1 9358970 OWMDBPXZHUGWRW-HRAATJIYSA-N 390.874 4.656 30 40 GJEB CN(C)c1ccc(/C=N\Nc2nc3ccccc3s2)cc1Br 33432206 BGEKZMJDGBGNNO-ZDLGFXPLSA-N 375.295 4.571 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 2293654 HVDJXWVYUZBSHB-CYBMUJFWSA-N 398.553 4.859 30 40 GJEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 4066171 AXUWXLBLHRTQFP-OAQYLSRUSA-N 379.500 4.582 30 40 GJEB CCCCn1c(SCc2ccccc2C#N)nnc1-c1ccc(OC)cc1 5227531 KTDDQGHZNFRGHN-UHFFFAOYSA-N 378.501 4.918 30 40 GJEB CC(C)(C)c1ccc(/C=N/OCC(=O)Nc2ccc(Br)cc2)cc1 5752699 QLJQTWTWOCUTGB-CIAFOILYSA-N 389.293 4.736 30 40 GJEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(F)cc1 6096974 ORXAZIYOGXBNHV-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\Cc2c(O)cccc2C1=O 11336156 NSBDBFIDASSOOL-MHWRWJLKSA-N 378.859 4.730 30 40 GJEB Cc1ccccc1/C=C/C(=O)c1ccccc1NS(=O)(=O)c1ccccc1 60108347 BXQHPDWSAIGNLB-FOCLMDBBSA-N 377.465 4.692 30 40 GJEB CC(C)(Oc1ccc(Br)cc1)C(=O)n1cc(C#N)c2ccccc21 226362125 LXKVQELIAFMNQC-UHFFFAOYSA-N 383.245 4.773 30 40 GJEB COc1ccccc1/C=C1/SC(=Nc2cc(Cl)ccc2Cl)NC1=O 408748567 FFZWGQFPIUNDGT-OVCLIPMQSA-N 379.268 4.894 30 40 GJEB CCc1nnc(S)n1/N=C/c1c(C)n(Cc2cccc(C)c2)c2ccccc12 408857894 NKPCNKFBAUFQOY-YDZHTSKRSA-N 389.528 4.631 30 40 GJEB O=C1/C(=C\c2ccncc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 408909474 UMSFEGFIJVMRJQ-ZIWRIUIPSA-N 385.492 4.928 30 40 GJEB Cc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)C)cc1 409109138 YIJFSJWLFMTQAG-YDZHTSKRSA-N 377.448 4.967 30 40 GJEB COc1ccc([C@H]2C3=C(CCCC3=O)N=C3C2=C(O)c2ccccc23)cc1OC 2151209 OYKQKDXKENIEMN-FQEVSTJZSA-N 387.435 4.580 30 40 GJEB biogenic O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C\c1cccc([N+](=O)[O-])c1 16676186 YFAGHBDSKBQQJF-WQRHYEAKSA-N 375.409 4.640 30 40 GJEB Cc1ccsc1[C@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2[nH]nc(O)c21 18196404 VHTQGOOWRGHMOL-BONVTDFDSA-N 383.498 4.505 30 40 GJEB COc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1OC 59461340 CWZLGWIGNVBLLO-FLLPAOQRSA-N 382.441 4.894 30 40 GJEB O=C(O)c1ccccc1NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 250187602 HJOWWSFSDYZUOV-UHFFFAOYSA-N 385.763 4.652 30 40 GJEB Cc1c(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cccc1C(=O)O 408774636 WTNUHOVYTZKPRK-WSDLNYQXSA-N 377.400 4.760 30 40 GJEB CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1c(C)cccc1C 408909032 GDUWDLWUGVJCGV-MSYUKONTSA-N 381.457 4.836 30 40 GJEB COc1cc(/C=N/c2ccc(C#N)cc2)ccc1OCc1ccc(C(=O)O)cc1 408967221 RBRUFJSGIFSXST-AFUMVMLFSA-N 386.407 4.595 30 40 GJEB Cc1ccccc1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409064851 QHACZFSLGVBYEN-CIAFOILYSA-N 393.403 4.665 30 40 GJEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(OC(F)F)cc1OC(F)F 6048986 NJQDBRDXAWTZGM-ORCRQEGFSA-N 384.281 4.514 30 40 GJEB C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccc(CC)cc3)OC2=O)cc1OC 6489882 VOGTYSQQMITTEZ-PDGQHHTCSA-N 397.858 4.820 30 40 GJEB Cc1ccc(C[C@H](C#N)Sc2nnc(Cc3cccs3)n2C2CC2)cc1 7844601 AKKULBLHTSYDCV-GOSISDBHSA-N 380.542 4.801 30 40 GJEB COc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccccc1 8368092 JUQWGHCPHZAMAV-HZHRSRAPSA-N 395.480 4.830 30 40 GJEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1OCC 13880875 OYUYOMYXUMGKHA-CPNJWEJPSA-N 398.459 4.681 30 40 GJEB Cc1ccccc1CSc1nc(N)c(C#N)c(Cc2ccc(Cl)cc2)n1 223668874 CJXILUDWFOGOBE-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Cl)cc1 408938006 KCZTZKIAOVUPGS-VIZOYTHASA-N 392.238 4.897 30 40 GJEB CC(C)(C)c1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 5271743 NZXAKVMEFIXKLO-UHFFFAOYSA-N 386.499 4.837 30 40 GJEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 5800766 GLOMHYPUKJAOIB-NRFANRHFSA-N 387.410 4.917 30 40 GJEB O=C1C=C(c2ccccc2)/C(=N\Nc2ccccc2)C(=S)N1c1ccccc1 6575864 MBYSGARXWYUDLV-YYDJUVGSSA-N 383.476 4.912 30 40 GJEB COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(F)cc3)cs2)cc1 12879158 VPPXDCOUEFUFPN-KPKJPENVSA-N 396.443 4.872 30 40 GJEB C=CCn1cc(OC(=O)CCC)c2c1nc(CCC)n1c3ccccc3nc21 13237964 WJZWMUPILIKJDO-UHFFFAOYSA-N 376.460 4.681 30 40 GJEB C=CCS[C@@]1(Br)NC(c2ccccc2)=C[C@H](c2ccccc2)N1 101320956 CKKKGHIGUGHFQL-IEBWSBKVSA-N 387.346 4.887 30 40 GJEB CCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1c(C)cccc1C 408906319 IIHIBELTSYVSMG-RTPPHFGYSA-N 382.485 4.642 30 40 GJEB CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(OCC)c2)C2=C1CCCC2=O 408922299 OINRRWXOZUBYAJ-UHFFFAOYSA-N 395.499 4.614 30 40 GJEB C#CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OCC 409126079 GUWQUAZZRLSCHS-XSFVSMFZSA-N 399.512 4.714 30 40 GJEB C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCC)C2=O)cc1OCC 409309608 JQJWHUVOZHMWJR-RVDMUPIBSA-N 381.881 4.750 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OCC)c2)SC1=S 409343429 HBLXNGMCPRIMFH-GZTJUZNOSA-N 377.531 4.507 30 40 GJEB O=C[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 1447472 UACDSWCDLIKUBD-BBRMVZONSA-N 392.505 4.637 30 40 GJEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O 3032725 SEWCFYRIEZVWOO-WSDLNYQXSA-N 389.367 4.868 30 40 GJEB CC1(C)CC(=O)C([C@H]2c3ccccc3Nc3c2cnc(Cl)c3C#N)=C(O)C1 4636066 AWXCZVKLUALJBY-KRWDZBQOSA-N 379.847 4.997 30 40 GJEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O 5967395 MZTBRPCTEOIYFK-IUXPMGMMSA-N 393.222 4.552 30 40 GJEB C[C@@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(Cl)cc1)N(C)C 7015730 MANXDLGTLNPTDS-AWEZNQCLSA-N 397.935 4.707 30 40 GJEB CCCCCCCCCCCCNCn1c(=O)oc2cc([N+](=O)[O-])ccc21 8427098 FGYOYZRFNLZXCN-UHFFFAOYSA-N 377.485 4.971 30 40 GJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1 28234848 ZJEZQLDEHALXGQ-UHFFFAOYSA-N 391.423 4.611 30 40 GJEB C=CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C1CCCCCCC1 101193967 AGYQMWONSBMISV-CWJYSFMFSA-N 399.560 4.614 30 40 GJEB CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916038 ZZCLFVCHZVPTRZ-PCBMRDPFSA-N 396.575 4.869 30 40 GJEB CCOc1c(Cl)cc(/C=N/n2c(S)nnc2-c2ccccc2)cc1Cl 409057220 JXPRGDXMWBPFSV-KEBDBYFISA-N 393.299 4.822 30 40 GJEB CCN(CC)c1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 409096552 LKFQCFFEVCXWAB-JJIBRWJFSA-N 381.520 4.901 30 40 GJEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 4611008 HTZJOJJUCGJWJK-HYARGMPZSA-N 377.400 4.628 30 40 GJEB COc1ccc(/C=C\C(=O)c2ccc3cc(OC)c(OC)cc3c2)cc1OC 5181030 NEHAEPDYYDEXLS-UITAMQMPSA-N 378.424 4.770 30 40 GJEB CCc1nc(SCC(=O)Nc2ccccc2C#N)c2oc3ccccc3c2n1 5477897 RIWHJCGYXNTTTQ-UHFFFAOYSA-N 388.452 4.541 30 40 GJEB C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccccc2OC)o1 27984018 JGNMYYWJUNHDBJ-UHFFFAOYSA-N 377.440 4.526 30 40 GJEB N#CCOc1ccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)cc1 48332896 JQPHCBZUPGMOMQ-UHFFFAOYSA-N 394.434 4.694 30 40 GJEB CCCCN1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1ccccc1 95117300 LLZNUETVPRLAMW-PUWVYARHSA-N 391.496 4.993 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/[C@@H](CCO)c2ccc(OCc3ccccc3)cc2)cc1 100465916 CAWCMADNJSWKLE-JECJHWOISA-N 390.439 4.716 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 102875153 YOWJTLIKVKVCEU-HOGKFDNTSA-N 383.447 4.930 30 40 GJEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1sc2c(c1C(N)=O)CCCC2 4593065 GRYLICRFCLNNEF-FOKLQQMPSA-N 398.919 4.624 30 40 GJEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccc([N+](=O)[O-])o3)C2=C(O)C1 4667278 CRNRZVJOTVTDQK-SFHVURJKSA-N 390.395 4.966 30 40 GJEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(Br)cc3)S2)c1 4694938 KOCWMASIWQYJTD-MHWRWJLKSA-N 387.302 4.958 30 40 GJEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1C1CCCCC1 6049519 MKQMDNVKHIPXQG-JFIYKMOQSA-N 390.597 4.545 30 40 GJEB C=CCOc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC 6840462 CDYKCUSGCQEUDU-RVDMUPIBSA-N 381.453 4.885 30 40 GJEB N#Cc1ccc(-c2ccc(OCC(=O)c3ccc4c(c3)OCCCO4)cc2)cc1 7897690 DKVCHSOVRBJHQX-UHFFFAOYSA-N 385.419 4.648 30 40 GJEB COc1ccccc1CN/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 20761863 ILZVKBOYBKGMLH-WSDLNYQXSA-N 385.807 4.641 30 40 GJEB Cc1ccc2nc(N/N=C/C3=C[C@H]4C=CC=C[C@H]4N3)nc(-c3ccccc3)c2c1 102595481 ZQRJEROSEGFKLN-ZPCWFPIVSA-N 379.467 4.601 30 40 GJEB C=CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408570399 LITKFDFKEZZGDT-MRXNPFEDSA-N 386.835 4.803 30 40 GJEB CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408719519 RMAYBIPERPRYPA-MRXNPFEDSA-N 381.284 4.635 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cc(Br)cs1 409105152 JJBUYPROWBEWIQ-YAXRCOADSA-N 394.172 4.884 30 40 GJEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3cccc4[nH]ccc34)n2)cn1 585295312 UMFRITHFILRQBU-HSZRJFAPSA-N 394.482 4.910 30 40 GJEB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C#N)c1C 689299 RSUBLZRANJCXNW-DHZHZOJOSA-N 382.485 4.880 30 40 GJEB CC(=O)O/N=C1/CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 4027763 GLZBXEUOJGEPEI-DQMFDLMZSA-N 389.536 4.880 30 40 GJEB biogenic CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1cc(C)ccc1C 4664495 LMMGAKGWRLPDEB-WBCKRXDOSA-N 380.469 4.626 30 40 GJEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1ccc(Cl)cc1 6743927 RVLGMEANYCFGRQ-UHFFFAOYSA-N 382.851 4.919 30 40 GJEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(Br)o1 6863803 URTNAUNFXAKKPQ-XFFZJAGNSA-N 383.654 4.587 30 40 GJEB COc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2ccco2)cc1 13775622 XQYBXLJVLRGGQX-UYRXBGFRSA-N 377.421 4.765 30 40 GJEB COc1ccc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)cc1 23053404 MIVMPKNBGWFKHJ-UHFFFAOYSA-N 388.492 4.990 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 30858383 MUNMGUWNKKABSJ-SFHVURJKSA-N 388.920 4.765 30 40 GJEB N#Cc1cc(NCc2c[nH]nc2-c2ccc(F)cc2)ccc1OCC(F)(F)F 97159042 XBOIVHVDRJBRIU-UHFFFAOYSA-N 390.340 4.641 30 40 GJEB COc1ccc(C(=O)/C(=C/Nc2cccc(Cl)c2)C(=O)C(F)(F)F)cc1 100862310 MPRFTPKBHRHVPV-GDNBJRDFSA-N 383.753 4.659 30 40 GJEB O/N=C/c1cc(Br)ccc1OCc1cccc(Br)c1 226327671 JVMGFPDHWDXEJQ-CAOOACKPSA-N 385.055 4.599 30 40 GJEB C=CCc1cc(/C=C2\SC(=Nc3ccc(OCC)cc3)NC2=O)ccc1OC 408741122 KGAXWVYGRQNGOL-ZHZULCJRSA-N 394.496 4.714 30 40 GJEB N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCCC[C@H]3C#N)c2)cc1 596700641 PDNFHFIWFYLIHP-UGKGYDQZSA-N 388.471 4.536 30 40 GJEB C[C@H](/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C)c1ccccc1 4107779 LRXMLXOCFPDRJC-NMJHPQSXSA-N 381.526 4.720 30 40 GJEB COc1ccc(-c2oc(/N=C/N(C)C)c(C#N)c2-c2ccc(OC)cc2)cc1 4550396 VUFNDCSFIKYHAS-ZVHZXABRSA-N 375.428 4.724 30 40 GJEB O=C(/C=C/c1ccc(-n2nncc2-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 5603594 KHVXJHUCYPOZEP-OVCLIPMQSA-N 396.406 4.739 30 40 GJEB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1F 12976659 AMOLBGUSXJGBCP-UHFFFAOYSA-N 385.460 4.762 30 40 GJEB CC(C)c1ccccc1N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 13719655 JUYHVSUPYQHFPD-UHFFFAOYSA-N 375.497 4.650 30 40 GJEB COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 66088919 SCYDONGWQFZYFG-FQEVSTJZSA-N 397.515 4.641 30 40 GJEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2 100535692 PAUWAWDGHMBVJO-BOPFTXTBSA-N 396.903 4.870 30 40 GJEB O=C(C[C@@H]1S/C(=N/c2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1 107037654 FXSLWZZPPJDOGN-DRGFOCDESA-N 393.512 4.590 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O 409096455 JTEVNJPCEWNZSN-RVDMUPIBSA-N 395.322 4.518 30 40 GJEB O=C1C=C(Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2C1=O 1627900 FAXCSOIHOXMRFK-UHFFFAOYSA-N 387.822 4.789 30 40 GJEB O=C1CS/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1cccc2ccccc12 2356661 UOHHSEYZSQJBOQ-BZCDASSZSA-N 393.899 4.959 30 40 GJEB CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC 4836871 VVAWRBZHRVIKKS-SFHVURJKSA-N 395.551 4.560 30 40 GJEB CCCOc1ccc(/C=N/Nc2ccnc(SCc3ccccc3)n2)c(O)c1 8295285 NLDKERHCMXUNOR-OEAKJJBVSA-N 394.500 4.709 30 40 GJEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccc(SC)cc3)cc2F)CC1 8711037 LQIBYHGSNBXOII-IZZDOVSWSA-N 384.520 4.586 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1OC 40139570 LCCQZYJSKDJKFL-XYOKQWHBSA-N 375.424 4.574 30 40 GJEB Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)c1 101650677 JPLQYBUNOKHPRC-RSTPCFTMSA-N 395.528 4.709 30 40 GJEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)n2)cc1 215682374 UOQYRCCRAROABJ-IRXDYDNUSA-N 379.529 4.525 30 40 GJEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(Cl)cc1Cl)CCCC3 1957512 JMDZKJKGTVULNC-ODCIPOBUSA-N 378.284 4.526 30 40 GJEB COc1ccc(/C=N\n2c(C3CCCCC3)n[nH]c2=S)cc1Br 2300946 BUIISBPREAAGCM-ZDLGFXPLSA-N 395.326 4.642 30 40 GJEB O=C1Nc2ccccc2/C1=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 13774674 ACKJJXGHQOTISW-UHFFFAOYSA-N 391.434 4.579 30 40 GJEB CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C(=O)O)cc1 35656950 DBEUFNFQEZOEMA-OLDUXTPLSA-N 378.453 4.565 30 40 GJEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C#N)c1 225772663 SXEWFCZTYTVOFN-GOSISDBHSA-N 392.499 4.731 30 40 GJEB CCOc1ccc(/C=C2/SC(=Nc3ccc(CC)cc3)NC2=O)c(OCC)c1 408762752 GBNFDTDUAXGCPC-DEDYPNTBSA-N 396.512 4.938 30 40 GJEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C#N)cc1 408931280 JKYDOUSKSNSQTI-YZSQISJMSA-N 384.483 4.553 30 40 GJEB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\O)cc2Cl)cc1Cl 409261044 AKNWTBFUHOYJAX-SCDVKCJHSA-N 387.650 4.781 30 40 GJEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C)cc3)n2)cc1 968848 YRLRBDSYQRCYAP-UHFFFAOYSA-N 389.480 4.668 30 40 GJEB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/c1ccc(Cl)cc1 3084777 FHLFGOVDOSXRQJ-RIWZNOJBSA-N 390.961 4.908 30 40 GJEB O=c1c2ccccc2nc(NN=C2C3CC4CC(C3)CC2C4)n1-c1ccccc1 6229440 MRBXUMPUVZNMQS-UHFFFAOYSA-N 384.483 4.610 30 40 GJEB C=CCOc1cccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13687448 RNBRTMZOMVDCFE-UHFFFAOYSA-N 385.452 4.633 30 40 GJEB CC(C)/N=C(\c1cccs1)N1CCN(Cc2ccc(F)cc2Cl)CC1 57991403 JKJBCRSHBISCBJ-ZBJSNUHESA-N 379.932 4.513 30 40 GJEB Cc1cc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c2[nH]c(C)c(C)c2c1 65623505 PTGJAJPZNRIEAE-UHFFFAOYSA-N 386.455 4.587 30 40 GJEB O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 4662564 MTGMWZSGDOLOTB-KGENOOAVSA-N 376.909 4.702 30 40 GJEB CCc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 5551605 GUGZUUAGZZTMIT-WJDWOHSUSA-N 387.302 4.903 30 40 GJEB O=C(CON=C1c2ccccc2-c2ccccc21)Nc1ccc(F)c(Cl)c1 6051674 IHQZSTYEIBEMGQ-UHFFFAOYSA-N 380.806 4.867 30 40 GJEB N/C(S)=N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 6864454 FZYATCVCQXPOLA-LWROZRRASA-N 399.523 4.621 30 40 GJEB CCCCCCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 17337299 NRQDIJMGRGMJSE-SXWKCWPCSA-N 382.609 4.808 30 40 GJEB Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3cccs3)N3CCCC3)o2)cc1 27990969 PPRGATJBAYTAAZ-SFHVURJKSA-N 378.501 4.832 30 40 GJEB CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)N[C@@H]2c1ccc(O)c(O)c1 885439 PTEANTCCUVBVHX-HSZRJFAPSA-N 386.451 4.956 30 40 GJEB S=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1cccc2cccnc12 1868722 ADODYOBRPJMTFQ-UFFVCSGVSA-N 375.284 4.862 30 40 GJEB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C#N)c1C 1965035 HVLNWWUUXIZPDG-UHFFFAOYSA-N 383.256 4.664 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(C)cc1 2444100 JYHDQJBWCXPWKE-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB Cn1nc(-c2ccccc2)c(/C=N/OCc2ccc(Cl)cc2Cl)c1O 4084913 FYLZCFVCKXPMRW-UFFVCSGVSA-N 376.243 4.650 30 40 GJEB COc1ccccc1NC(=S)N/N=C/C(c1ccccc1)c1ccccc1 4880682 ZDOJWKMGRJREOA-XQNSMLJCSA-N 375.497 4.800 30 40 GJEB CC(=O)C1=C(Nc2ccccc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 5201233 GKPQKDCKSSZERD-XPWALMASSA-N 397.902 4.739 30 40 GJEB COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2Br)cc1F 21937087 RNZKQLUZFDBKLB-GQCTYLIASA-N 395.224 4.510 30 40 GJEB Cc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)s1 100005126 AIWLEVNDQYKFRQ-HXUWFJFHSA-N 388.529 4.916 30 40 GJEB CCCCCCCCCCCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1 103005165 XVLUWBPGZCVNKO-UHFFFAOYSA-N 399.626 4.541 30 40 GJEB CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(Br)cc1 408731610 OBABAPTYIBFIOO-GOSISDBHSA-N 385.261 4.583 30 40 GJEB CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C(=O)OC)cc1 408914330 WHJZFFTUUWSKPG-BNNWYQTLSA-N 392.480 4.653 30 40 GJEB COc1ccc(/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408968444 YWKHWTJMKBFEQO-OYKKKHCWSA-N 391.423 4.732 30 40 GJEB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccccc2C#N)cc(C(C)(C)C)c1 3216524 DOVFBKAPGMYIMC-UHFFFAOYSA-N 392.499 4.949 30 40 GJEB CCCN(CCC)c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 6078061 MWUGUVCXNPJFDN-HZHRSRAPSA-N 387.491 4.579 30 40 GJEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)c1 6242006 ZAMAJMQGKWWJRB-KEBDBYFISA-N 385.763 4.652 30 40 GJEB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/Nc1ccccc1[N+](=O)[O-] 6279791 MUTJKHJVSGCIMT-KEBDBYFISA-N 390.230 4.842 30 40 GJEB O=c1c2ccc(/N=C(\O)COc3ccccc3F)cc2oc2c(F)cccc12 6660831 WZAOQZRZAAXYMX-UHFFFAOYSA-N 381.334 4.891 30 40 GJEB COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cc(Cl)c1OC(C)C 32986033 WNAHKXYOGUNPOV-UHFFFAOYSA-N 378.881 4.938 30 40 GJEB CCOC(=O)c1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1 66352010 HTCFPHOWJWDYHY-UHFFFAOYSA-N 387.443 4.629 30 40 GJEB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C#N)c1 225677442 RJYLNJYFPFNKEC-UHFFFAOYSA-N 393.443 4.704 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1C 2237674 CHBDKBWMAULRHX-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc3ccccc13)n1ncnc1N2 4435976 RYAXZGMQPYUCFF-IVZQSRNASA-N 398.491 4.909 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 8363396 YRWXFDQSLWKBLE-BIXZQSIESA-N 381.457 4.917 30 40 GJEB O=C1ON=C(c2ccccc2)/C1=C\C=C\C=C/c1c(-c2ccccc2)noc1O 16491801 NEDZCQDBZLHEGJ-GQANEQPESA-N 384.391 4.504 30 40 GJEB C#CCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc12 226360042 CRYGPFXBKXWEGD-UHFFFAOYSA-N 380.241 4.763 30 40 GJEB COc1ccc(CCCc2nnc(SCc3ccccc3C#N)o2)cc1C 409011552 GFYCNZVPCGCJKV-UHFFFAOYSA-N 379.485 4.726 30 40 GJEB COC(=O)c1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1Cl 409393724 ZLBYAWXARMCWLS-UHFFFAOYSA-N 392.794 4.849 30 40 GJEB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C#N)C1 2741444 DXIPBYRKAGYIMS-SNVBAGLBSA-N 389.864 4.949 30 40 GJEB Cc1ccccc1-n1c(SCc2ccccc2C#N)nnc1-c1cccnc1 4357520 YICUPTDOMYVMOY-UHFFFAOYSA-N 383.480 4.802 30 40 GJEB Cc1cccc(C(=O)Oc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)c1 4387236 XEYJRYQYDOLNPU-HYARGMPZSA-N 375.384 4.568 30 40 GJEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 5477655 ADRJEJPOBPJNMX-UHFFFAOYSA-N 396.472 4.552 30 40 GJEB N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCCCC1 8191399 OVBHHUMFYLHYJO-UHFFFAOYSA-N 383.879 4.610 30 40 GJEB O=C1CCCC2=C1[C@H](c1cccs1)n1nc(SCc3ccccc3)nc1N2 13126970 ZIFVMSBHZOFWCN-SFHVURJKSA-N 394.525 4.654 30 40 GJEB Cc1nc(-c2ccccc2)nc(SCC(=O)Nc2cccc(Cl)c2)c1C#N 27789361 WIJUMMLSUYHCJO-UHFFFAOYSA-N 394.887 4.708 30 40 GJEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1OC 40127434 LLOYOHDSFQIRID-UHFFFAOYSA-N 396.472 4.649 30 40 GJEB N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCc2ccsc2)cc1 47192573 KWHSYKVPMMHFPA-UHFFFAOYSA-N 378.472 4.920 30 40 GJEB COc1cccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)c1OC 59224377 HHTRPNJMVLPWMD-SXGWCWSVSA-N 388.876 4.557 30 40 GJEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC(=O)[C@@H]32)C1 118935552 YOBSLFBDKZYMSB-UKMAOVSGSA-N 387.520 4.526 30 40 GJEB Brc1cccc(/N=C/c2ccccc2I)c1 408550478 HEERMCYKZYNWQE-CXUHLZMHSA-N 386.030 4.804 30 40 GJEB CSc1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3C)NC2=O)cc1 408755160 YZZLMWJVBUXWJM-MHWRWJLKSA-N 385.470 4.517 30 40 GJEB C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(N)c([N+](=O)[O-])c1 584906154 ZFUPEEXJJMMTRE-UHFFFAOYSA-N 386.864 4.779 30 40 GJEB CC[C@H](C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N)c1ccccc1 2738533 FDBUQFZPSQZTDN-INIZCTEOSA-N 383.517 4.543 30 40 GJEB N#Cc1cc(C(=O)Cc2ccccc2)cn1-c1ncc(C(F)(F)F)cc1Cl 3133290 JOLNOGBGHVASKS-UHFFFAOYSA-N 389.764 4.842 30 40 GJEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4cccc(Cl)c4)CC3=O)Nc3ncnn32)cc1 4776975 OGJTXNCTVAXMDO-IIBYNOLFSA-N 390.874 4.656 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N 4848992 XLFPTSDOPMBWCZ-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB O=S(=O)(/N=C(/Nc1ccc(Cl)cc1)c1ccccc1)c1cccs1 5572657 KHKNIOZDBVELAH-UHFFFAOYSA-N 376.890 4.649 30 40 GJEB Cc1nc(C)c(C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)s1 19560265 XMLXWNSPXCEUMS-UHFFFAOYSA-N 389.524 4.793 30 40 GJEB COc1ccc(CN/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC 20196191 YYQOVCROALJEFG-AFUMVMLFSA-N 397.906 4.888 30 40 GJEB Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1F 32984138 CMVLETHINOIIDG-UHFFFAOYSA-N 393.439 4.784 30 40 GJEB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC#N 103467177 QSNQPHMCEAYBPK-FXUDXRNXSA-N 386.496 4.609 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCC2)c(F)c1 409106011 PWWPVXFLXWAYFB-FOKLQQMPSA-N 396.344 4.799 30 40 GJEB COc1ccc(N2C3=C(C(=O)C[C@@H]2c2ccccc2)C(=O)CC(C)(C)C3)cc1 720050 MGGXXRBLJQWKKN-LJQANCHMSA-N 375.468 4.859 30 40 GJEB COc1cc(/C=C2/S/C(=N\c3cc(Cl)cc(Cl)c3)NC2=O)ccc1O 1849479 QWCBFVSYBFMXDH-PJQLUOCWSA-N 395.267 4.599 30 40 GJEB CC(=O)c1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 4849122 UYDCFULALZXWQR-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB COc1ccc([C@@H]2C3=C(CCCC3=O)N=C3C2=C(O)c2ccccc23)cc1OC 5095335 OYKQKDXKENIEMN-HXUWFJFHSA-N 387.435 4.580 30 40 GJEB biogenic COc1ccc2oc(-c3csc(NC(=O)c4ccc(C#N)cc4)n3)cc2c1 10882567 NMTFQAIWGIKZSI-UHFFFAOYSA-N 375.409 4.689 30 40 GJEB Cc1sc2nc(CN3CCCCC3)nc(Oc3ccc(C#N)cc3)c2c1C 12904950 JMCSLRZKVVCHAU-UHFFFAOYSA-N 378.501 4.958 30 40 GJEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1C 14081891 NIQOWIOMFIIAHM-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB COc1ccc(C)cc1/N=C1\SCCCN1C(=O)COc1cc(C)ccc1C 14360919 LWJAHEAMYSBAEB-FCQUAONHSA-N 398.528 4.652 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccc(Cl)cn2)[C@H]1c1ccccc1)c1ccccc1 27025680 QKJMXNHRZOOVHY-IBGZPJMESA-N 390.826 4.518 30 40 GJEB Cc1ccccc1Nc1nc2nonc2nc1N/N=C\c1cccc2ccccc12 33909086 JZJNTXKFKYBQFR-QRVIBDJDSA-N 395.426 4.664 30 40 GJEB FC(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F 79382035 YLOUSLWKRLJSPV-UHFFFAOYSA-N 382.091 4.669 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1CC 101565215 HCJHKOAPLLRJKK-OCIPIQTLSA-N 379.529 4.939 30 40 GJEB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 208460438 ZLCHBZJZGHOYHF-LSHDLFTRSA-N 385.855 4.721 30 40 GJEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CC[C@@H](/C(C)=N/O)[C@@]4(C)CC(=O)[C@H]32)C1 253497796 BSLCVENCLGLBCE-YOWUQFSCSA-N 389.536 4.606 30 40 GJEB C=CCOc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 409333489 SMDFQRRCBNHKSP-ATVHPVEESA-N 398.465 4.565 30 40 GJEB N#C[C@@H](NC(=O)c1ccccc1N1CCCCC1)c1cccc(C(F)(F)F)c1 505977307 RQMQWJVJPIZBKZ-GOSISDBHSA-N 387.405 4.690 30 40 GJEB O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1)c1ccccc1Cl 3140632 YEXSZSRICCKWBP-WSDLNYQXSA-N 395.802 4.957 30 40 GJEB CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 4672070 JUQDQJQGQGJCOE-NFYBBCHUSA-N 382.485 4.636 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(N2CCCC2)cc1 4688264 FZQINKJWJSTGGK-QGOAFFKASA-N 383.904 4.832 30 40 GJEB CCCC/N=C1\S/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1CCCC 5552247 AJTXVASBVOEYHV-PTPABZONSA-N 376.522 4.663 30 40 GJEB CCN1CC[C@](O)(/C=C/c2cccc(C)c2)[C@H](C(=O)/C=C/c2cccc(C)c2)C1 5839028 HZOCZWZBYRGSCV-UUTRXWDLSA-N 389.539 4.672 30 40 GJEB CN(C/C=C/CN(C)/C(S)=N\c1ccccc1)/C(S)=N/c1ccccc1 6375237 YWUMZJKHAAFOKJ-MDZDMXLPSA-N 384.574 4.641 30 40 GJEB N#Cc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 14702272 VQSPBWJLRUXXOM-UHFFFAOYSA-N 381.888 4.841 30 40 GJEB CCCC/N=C1/S[C@@H](C(=O)Nc2ccccc2Cl)CC(=O)N1CCCC 100144485 DGWSCNLLELWBJQ-QQMHEVNUSA-N 395.956 4.569 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F 102879645 LIDZPRINGHUBTC-GHNGSUTGSA-N 387.838 4.701 30 40 GJEB C/C(=N\c1ccc(Cl)cc1C)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 104081132 DGNSKQSFWOXPSA-CIAFOILYSA-N 384.823 4.897 30 40 GJEB CCCCOc1cccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c1 408628179 QHNNOVSMSGYZIB-UHFFFAOYSA-N 387.530 4.542 30 40 GJEB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 408750594 PEKHMKKOENDHQA-YVNNLAQVSA-N 383.839 4.805 30 40 GJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C 3094387 ZFEGYHGHCUXYIV-QFIPXVFZSA-N 397.515 4.785 30 40 GJEB CCOC(=O)C(C#N)(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1 4826145 PLRGOTJJSSRUIZ-UHFFFAOYSA-N 395.462 4.641 30 40 GJEB COc1ccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c(OC)c1 4944913 JVSQRSBSISWDGE-LJQANCHMSA-N 391.467 4.540 30 40 GJEB C[C@H](c1nnc(SCCCCC#N)n1-c1ccc(F)cc1)N1CCCCC1 8391908 OBGNCCMMFXQVGD-MRXNPFEDSA-N 387.528 4.739 30 40 GJEB C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1C1CCCCC1 8753521 SXNFZYCFQBASKP-IBGZPJMESA-N 396.560 4.624 30 40 GJEB CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 16577076 IDFNFUUVHYZXTL-YDZHTSKRSA-N 396.516 4.532 30 40 GJEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 226694711 DKROTHIIHUFWJN-UYATZWBRSA-N 380.447 4.524 30 40 GJEB Cc1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1[N+](=O)[O-] 408915033 TYQUGLJRXHMVIX-SSDVNMTOSA-N 377.400 4.790 30 40 GJEB COc1ccccc1NC(=O)c1sc(NC(=O)c2cccs2)c(C#N)c1C 838407 XTGMFUWQOZJRJH-UHFFFAOYSA-N 397.481 4.503 30 40 GJEB N#C/C(=N\Nc1ccccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4175366 JSVPZBCGDXPPHE-PXLXIMEGSA-N 383.820 4.711 30 40 GJEB C[C@H]1CS/C(=N\c2ccc(Cl)cc2)N1C(=S)NCCc1ccccc1 5937873 XOCNYYDFPJAKJD-RPIBDXEDSA-N 389.977 4.882 30 40 GJEB C[C@@H](Oc1ccccc1C#N)C(=O)N(CCc1ccccc1)Cc1ccccc1 6509008 FNZOWVPMOZVIDM-HXUWFJFHSA-N 384.479 4.597 30 40 GJEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1cc(F)ccc1F 8783531 VDAJSVYMRHLNMD-UHFFFAOYSA-N 381.407 4.629 30 40 GJEB C=CCN(C(=O)c1ccc(NC(=O)OC)cc1)c1nc(-c2ccccc2)cs1 32765652 ZPJIAZVZGQWADR-UHFFFAOYSA-N 393.468 4.821 30 40 GJEB COc1cccc(/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1 59248227 LSKYXQSOSOKPED-ZVHZXABRSA-N 391.423 4.732 30 40 GJEB CC(C)/C(=N\O)c1ccc(OCCOc2ccc(/C(=N/O)C(C)C)cc2)cc1 100810769 ASZKCLACNZJPQZ-MBALSZOMSA-N 384.476 4.813 30 40 GJEB C/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C(=O)N1C 223512027 FOYQCSHQEQJECR-YXKLRJOASA-N 383.561 4.937 30 40 GJEB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1OCC 225749923 OUDPQIPEMGAVMU-OAHLLOKOSA-N 383.517 4.598 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)nc2ccccc21 408692716 STHIQIXNGSKMLS-OEAKJJBVSA-N 388.427 4.549 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 2738885 KWCGJTBHOVISKH-QEJZJMRPSA-N 388.533 4.600 30 40 GJEB CC1=CC[C@H](/C=N/n2c(C)nc3c([nH]c4ccc(Br)cc43)c2=O)CC1 5024359 UOLCHKZHHPRYFJ-IMRMQAIZSA-N 399.292 4.529 30 40 GJEB COc1ccc(OC)c(/C=N\n2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)c1 12465454 IVJSVVUOPQTKMG-XKZIYDEJSA-N 396.516 4.805 30 40 GJEB COc1ccc(-c2csc(C3=C(N)N([C@@H](C)CCCC(C)C)CC3=O)n2)cc1 13655453 LUVSTOVCVCGXJQ-HNNXBMFYSA-N 399.560 4.546 30 40 GJEB CCc1ccc(/N=C2/NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)S2)cc1 15229884 SGHOWBMJVFXBRN-MOSHPQCFSA-N 386.480 4.619 30 40 GJEB C=C(Br)CSc1nnc(SCc2ccc(OC)cc2)s1 59928693 DDHMVAXZDDDXCT-UHFFFAOYSA-N 389.365 4.840 30 40 GJEB Cc1ccc(C)c(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)c1 223729082 CGOATLVRVLMRMU-FLFQWRMESA-N 379.529 4.705 30 40 GJEB CC(C)CC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 408627744 NJLSCNOQPAJXOR-LBPRGKRZSA-N 377.579 4.630 30 40 GJEB C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1 5454238 ZAUQZQWSCIZKQN-UHFFFAOYSA-N 381.892 4.953 30 40 GJEB Cc1cc(OC(=O)/C=C/c2ccccc2)cc2c1C(=O)/C(=C/c1cccnc1)O2 6661986 BJBRXJZICMQLSF-SOFGKXIESA-N 383.403 4.625 30 40 GJEB COc1cc(OC)cc(C(=O)/C(=C\c2cccnc2)c2nc3ccccc3o2)c1 8993204 AGOXXSFKCVFYFB-VXLYETTFSA-N 386.407 4.664 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nnc1C1CCCCC1 9457236 OIUCPQZNKRPCMK-IRXDYDNUSA-N 398.576 4.870 30 40 GJEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1cccc(O)c1Cl 15016384 LTTIUFTVQRUZKC-QPEQYQDCSA-N 398.793 4.956 30 40 GJEB CCCCCCCCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1 70665678 QEVYJMJYWNLAIP-UHFFFAOYSA-N 380.573 4.733 30 40 GJEB biogenic C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])s1 83812551 HXOABCPYNIAJJA-FQEVSTJZSA-N 389.436 4.523 30 40 GJEB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C#N 225768297 GACCRFBYOGOUSG-UHFFFAOYSA-N 378.472 4.806 30 40 GJEB Cc1c(Cl)cccc1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C 408750354 LSWGXEYSYJTFCZ-YVNNLAQVSA-N 383.839 4.805 30 40 GJEB Cc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408867028 JPMRGMLRVJCLIF-OEAKJJBVSA-N 387.512 4.832 30 40 GJEB COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3)cc12 409286803 ZXOLXTOHRJSQQP-UHFFFAOYSA-N 395.418 4.701 30 40 GJEB Cc1nn(-c2ccccc2)c2nc(Cl)c(/C=N/Nc3ccc(F)cc3)cc12 5578233 SFAWZBLFYIVLIS-FSJBWODESA-N 379.826 4.967 30 40 GJEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C(C)C)cc3)N(C)C2=O)cc1 101650689 VXYLLMFQYPVKIZ-RSTPCFTMSA-N 395.528 4.709 30 40 GJEB C=C[C@H]1C[N@@+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 253589699 RTHFVUKMXCJYPA-QIJBZYNBSA-N 385.531 4.880 30 40 GJEB COc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccccc1 409215788 AVGYAQKBRBDQHH-HZHRSRAPSA-N 395.480 4.830 30 40 GJEB CCOC(=O)c1ccccc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242981 FYKIJTYENFWPKZ-UHFFFAOYSA-N 396.205 4.514 30 40 GJEB CCOC(=O)c1c(CC(C)C)csc1NC(C)=C1C(=O)c2ccccc2C1=O 2287500 LWZODKYFQSCEIM-UHFFFAOYSA-N 397.496 4.888 30 40 GJEB Cc1ccc(-n2c(SCC#N)nnc2-c2ccccc2Br)cc1 4125471 XATQNAAAYVKNMS-UHFFFAOYSA-N 385.290 4.621 30 40 GJEB COc1ccccc1-c1nnc(SCCCC#N)n1CCc1ccccc1 5362529 KKZFWSGONBFIFX-UHFFFAOYSA-N 378.501 4.592 30 40 GJEB N#C[C@H](C(=N/O)/C(=N/O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 6512610 SAYXXJMIMHHQDN-HTEAYFOZSA-N 387.226 4.568 30 40 GJEB C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 6650375 LTSZEMDLIAQYGB-UHFFFAOYSA-N 388.562 4.698 30 40 GJEB COc1ccc(/N=C/c2cc(Br)ccc2O)cc1Br 6736684 MODUOLFHPPOKNQ-CAOOACKPSA-N 385.055 4.676 30 40 GJEB N#Cc1c(CSc2nnc(Nc3ccc(F)cc3)s2)cn2ccccc12 12823098 VZRTYMUPCKKETI-UHFFFAOYSA-N 381.461 4.837 30 40 GJEB COc1cc(OC)cc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3o2)c1 32620470 HSFARPHFHDTSRB-UYRXBGFRSA-N 386.407 4.664 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S 59418074 WVTWLZHJWKKINC-LDADJPATSA-N 385.485 4.792 30 40 GJEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2Cl)/C1=C(\O)c1ccccc1 102484319 DVMLYGKLKTZYNB-WOOAAIBNSA-N 393.826 4.555 30 40 GJEB O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)C1CCCCC1 102659908 ZRJBOUGDKFNKJW-FCDQGJHFSA-N 398.304 4.560 30 40 GJEB Cc1cc(C)cc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)c1 223728796 KDAWVDCKFNJEFB-FLFQWRMESA-N 379.529 4.705 30 40 GJEB CC(C)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Br 408601802 LIVLYELTWWXGNY-VXLYETTFSA-N 392.253 4.838 30 40 GJEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846823 FFEDBGCLGPHNIL-CGXUPHRESA-N 390.564 4.998 30 40 GJEB biogenic C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(Cl)c1 5426223 ZDOCRKFOCUEIHP-UHFFFAOYSA-N 388.254 4.872 30 40 GJEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc(Cc2ccccc2)ccc1O 5774000 SNTLPJAUGXLFID-RCCKNPSSSA-N 386.476 4.875 30 40 GJEB COCCCn1c(SCc2ccccc2C#N)nnc1-c1ccc(Cl)cc1 8072153 PIXRXHWEWZYEDB-UHFFFAOYSA-N 398.919 4.799 30 40 GJEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCCCC4)o3)o2)cc1 8844533 SKCGZNSUOIMQGF-UHFFFAOYSA-N 393.443 4.774 30 40 GJEB CCOC(=O)c1ccc(C#N)c(SCc2csc(-c3cccs3)n2)n1 14201107 TZHGHZRZUAGUOQ-UHFFFAOYSA-N 387.511 4.607 30 40 GJEB CC(NCCc1c(C)[nH]c2ccccc12)=C1C(=O)CC(c2ccccc2)CC1=O 100148044 VFDGVELPBPJSSB-UHFFFAOYSA-N 386.495 4.598 30 40 GJEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1c3ccccc3cc3ccccc13)[C@H]1C=C[C@H]2CC1 100175841 DKROTHIIHUFWJN-JFNZYRGTSA-N 380.447 4.524 30 40 GJEB Cc1ccc(OCc2nc(SCc3ccc(Cl)cc3)nc(N)c2C#N)cc1 223687089 GMVWPOYATHXNII-UHFFFAOYSA-N 396.903 4.764 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccccc1 3363475 CXYNHIPGSYYGKO-UHFFFAOYSA-N 375.906 4.821 30 40 GJEB COc1ccc(/C=N/OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 5405015 QLKQJSBMLZOUQY-ZMOGYAJESA-N 398.503 4.940 30 40 GJEB C[C@@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1c[nH]c3ccccc13)C2=O 20646511 FYZNPPNUOODOIU-SRMCNWIXSA-N 388.467 4.864 30 40 GJEB CC(C)=NNc1nc2c(C(F)(F)F)cc(I)cc2s1 57327432 PLRMPGPLDTZAOU-UHFFFAOYSA-N 399.179 4.727 30 40 GJEB CCOc1cc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)ccc1O 59461358 RDMSHAIEGUOXED-YWNAFCPWSA-N 382.441 4.981 30 40 GJEB O[C@@H](c1ccc2ccccc2c1-c1c([C@H](O)[C@H]2CO2)ccc2ccccc12)[C@@H]1CO1 95611698 XSHBWGANXOEJEI-DDOAZUFRSA-N 398.458 4.524 30 40 GJEB COc1cc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc(OC)c1O 96766968 DXRWKXRUYSYECY-IRUWDQCASA-N 388.419 4.809 30 40 GJEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCC(C)C 138164788 WQYURFXGVNTDLV-RCRSJKOXSA-N 388.514 4.604 30 40 GJEB CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 409035617 QJZBJSMUZMMNML-OPVMPGTRSA-N 382.279 4.952 30 40 GJEB CN1C(=O)/C(=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 409115983 KSWZLHFFUVYJBY-BZOSTUPMSA-N 377.513 4.868 30 40 GJEB O=C(C/C(=N/Nc1nc(-c2ccccc2)cs1)C(F)(F)F)C(F)(F)F 4092866 BDBHUYUSRXPLNA-YVNNLAQVSA-N 381.301 4.662 30 40 GJEB S=C(Nc1ccccc1)Nc1ccccc1NCC#CC#Cc1ccccc1 6402800 NTAZWSATMBVHQL-UHFFFAOYSA-N 381.504 4.963 30 40 GJEB CCOc1cc(/C=N/c2ccc(C)cc2)cc(I)c1OC 6959210 LEWYWCOPLQGJPK-YBFXNURJSA-N 395.240 4.758 30 40 GJEB N#Cc1ccccc1OCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7596284 QIQUFAVWQIVEBL-UHFFFAOYSA-N 399.475 4.776 30 40 GJEB COc1ccc(/C=C2/S/C(=N\c3cccc4ccccc34)NC2=O)cc1OC 35644721 SEEYSZNIEXZLOH-DEDYPNTBSA-N 390.464 4.749 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 253370364 PWQGLTOZXWPJJS-NOKHHOBOSA-N 394.559 4.789 30 40 GJEB OC[C@]1(C#Cc2ccc(Cl)cc2)COc2ccccc2N1Cc1ccccc1 306145835 RWHKSOGWJXKZPV-XMMPIXPASA-N 389.882 4.522 30 40 GJEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(OC)nc3)c3ccccc32)c1 408542704 NJUWVIJEOFAYQG-MXAYSNPKSA-N 399.450 4.630 30 40 GJEB CCSc1nc2n(n1)[C@H](c1ccc(CC)cc1)C1=C(CC(C)(C)CC1=O)N2 4777009 UFVXHOGMXYWEGL-GOSISDBHSA-N 382.533 4.611 30 40 GJEB Cc1nn(C)cc1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 5697223 QSCIZHIRAXFDOO-YOUVJQFFSA-N 390.531 4.765 30 40 GJEB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/Nc1ccccc1Cl 6674290 FJKAEXPWWSQFGX-HZHRSRAPSA-N 379.895 4.880 30 40 GJEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)o2)cc1 6926588 VETZHMLSASHEHM-HCBMXOAHSA-N 396.271 4.786 30 40 GJEB C=CCn1c(S[C@H](C(=O)OCC)c2ccccc2)nnc1C1CCCCC1 7978380 ROQQKJAHPDBNQW-SFHVURJKSA-N 385.533 4.908 30 40 GJEB C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1 18068961 MTVAPLLKMKQKPO-UHFFFAOYSA-N 380.444 4.730 30 40 GJEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCc2ccccc21 44085713 QNAHGFMPRQQKGO-UHFFFAOYSA-N 389.524 4.726 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1 102605959 AXJYWPQPJMTSOS-MRJHHRETSA-N 377.484 4.997 30 40 GJEB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](F)C[C@@]21C 118933255 RFOAVWDSMLIUEY-PMUYALBOSA-N 394.914 4.926 30 40 GJEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(OC)cc2C)C1=O 408998668 BSAPPFMDGIUKEZ-AQTBWJFISA-N 395.480 4.547 30 40 GJEB CC[N+](CC)(CC)CC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 3368796 DZLMRGOULOHMGF-UHFFFAOYSA-N 392.361 4.916 30 40 GJEB COc1ccc(Cl)cc1NC(=O)CSc1nc2c(C)cccc2cc1C#N 4130330 ALNYHMDGSQFIDU-UHFFFAOYSA-N 397.887 4.808 30 40 GJEB Cc1cc(SCc2cn3cccc(C)c3n2)n2c(nc3ccccc32)c1C#N 4269393 ZUDFEZZKQXOZQZ-UHFFFAOYSA-N 383.480 4.916 30 40 GJEB O=C1C[C@H](c2cccc(F)c2F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6820403 RSZLOWYNMUDYAM-SMDDNHRTSA-N 387.813 4.623 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)cc3)S2)c(C)c1 8410574 IRVPOEVWQAJUSZ-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 223474855 BGDGWGJKCZCIKA-FSJBWODESA-N 379.464 4.846 30 40 GJEB CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1 408916846 ZTMJAXUDQQENIT-XGHAMVSDSA-N 394.496 4.660 30 40 GJEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 408931904 RUXYMVVZBNABRH-BUVRLJJBSA-N 390.439 4.540 30 40 GJEB COc1cc(/C=N/Nc2nc(C)c(C)s2)ccc1OC(=O)c1cccc(C)c1 409025725 ZQZKTMHFJLVORJ-WSDLNYQXSA-N 395.484 4.742 30 40 GJEB N#Cc1ccc(COc2cccc(/C=N/NCc3ccc(Cl)cc3)c2)cc1 10119037 BRASPLPQDOCDPU-CVKSISIWSA-N 375.859 4.914 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/CCCCCC/N=C/c2cccc([N+](=O)[O-])c2)c1 18151975 JYWRJFIEBKZZSB-YHARCJFQSA-N 382.420 4.601 30 40 GJEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1F 20034000 SFBYQJCFPZNPPB-OVCLIPMQSA-N 389.810 4.773 30 40 GJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC[C@@H]4CCCO4)o3)o2)cc1C 33027044 NRQXCPIEDJEXIN-KRWDZBQOSA-N 393.443 4.593 30 40 GJEB Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)C[C@H](C)C#N)c2=S)cc1C 48343136 ALOGVANBPGSKRJ-MRXNPFEDSA-N 391.544 4.736 30 40 GJEB C=CCOC(=O)c1ccc(-c2nc3ccc(C(=O)OCC=C)cc3s2)cc1 73635286 WCQSZYJVRVTHHT-UHFFFAOYSA-N 379.437 4.649 30 40 GJEB N#CC1(c2ccccc2)CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 96383090 RIGPLOLTKFNXIF-UHFFFAOYSA-N 383.451 4.571 30 40 GJEB CC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118926843 JZHUYBXYJAGJBU-CGBRVSOQSA-N 387.520 4.800 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(F)cc2)N(C)C1=O 408959719 DQVUFBXIMVQRGZ-OMSSWJLUSA-N 395.503 4.968 30 40 GJEB COc1ccc(N2C3=C(C(=O)C[C@H]2c2ccccc2)C(=O)CC(C)(C)C3)cc1 720049 MGGXXRBLJQWKKN-IBGZPJMESA-N 375.468 4.859 30 40 GJEB Nc1nc(N/N=C/c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 4733241 CIGHAFKAXROFEK-WGOQTCKBSA-N 383.499 4.930 30 40 GJEB CCc1ccc2nc(SCC(=O)Nc3cc(C)ccc3OC)c(C#N)cc2c1 4848927 JXWGZQLHNLUCJD-UHFFFAOYSA-N 391.496 4.717 30 40 GJEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/Nc1cccc(C(=O)O)c1 5163325 PQOZMMUSTZMNTC-UFFVCSGVSA-N 389.242 4.632 30 40 GJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cccc(Br)c1 5551152 SEWFCNYCVMPAHP-ZROIWOOFSA-N 393.693 4.994 30 40 GJEB C/C(=N\OC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)c1nccs1 6921135 HOISLHXLZQQDFN-DNTJNYDQSA-N 396.255 4.994 30 40 GJEB N#CCCn1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c(-c2ccccc2)n1 8320932 XJCBFGZGYMHGMN-VAWYXSNFSA-N 394.434 4.881 30 40 GJEB COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2ccc(C)cc2nc1Cl 883039 XNKKGUSEURVYCS-MRXNPFEDSA-N 379.847 4.526 30 40 GJEB Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 4674070 ACIBLWYWMXERKE-HZHRSRAPSA-N 397.442 4.510 30 40 GJEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3Br)S2)cc1 5809628 ZHSDRLJPBFBQQV-WJDWOHSUSA-N 387.302 4.903 30 40 GJEB O=C(COc1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 6272081 WVMZNEVZUJNFJG-UHFFFAOYSA-N 381.247 4.881 30 40 GJEB O=[N+]([O-])c1ccc(COc2ccccc2/C=N/NCc2ccc(Cl)cc2)cc1 10118686 ZPRUBLYWJMYOGJ-ZVHZXABRSA-N 395.846 4.951 30 40 GJEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c3c(cccc13)CC2 13602149 FLDKFOKGYYDZQK-CIAFOILYSA-N 376.372 4.591 30 40 GJEB CC1=Nc2ccccc2N/C(=N\C(=O)CN2CCCCC2)[C@H]1c1ccc(F)cc1 14607994 DOJJJYCEVKABKU-JOCHJYFZSA-N 392.478 4.538 30 40 GJEB CCc1ccc([C@@H](NCC(=O)NC2(C#N)CCCCCC2)c2cccs2)cc1 29939493 SYCDPUPKKFIRMY-JOCHJYFZSA-N 395.572 4.722 30 40 GJEB N#Cc1ccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)cc1 31423601 WCXXWWQIXZXXLS-UHFFFAOYSA-N 383.860 4.739 30 40 GJEB CC(=O)N(c1nc(/C=C2/Cc3ccccc3C2=O)cs1)c1ccc(F)cc1F 96924476 HSUDQENIACRBJW-ZROIWOOFSA-N 396.418 4.928 30 40 GJEB Cc1ccc(OCc2nc(SCc3ccccc3Cl)nc(N)c2C#N)cc1 223687007 ATRAXFQBDLYQMV-UHFFFAOYSA-N 396.903 4.764 30 40 GJEB CC[C@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccc(OC)cc2)NC1=O 408604483 UUIFHZGOPHDZSG-QIQQCEGHSA-N 382.485 4.764 30 40 GJEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409090481 QVXSPGQGBWFDPZ-LSHDLFTRSA-N 376.294 4.715 30 40 GJEB Cc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc2n1C 409405767 VGJGDNKUOOHRMK-UHFFFAOYSA-N 392.462 4.746 30 40 GJEB Cc1ccc(CNC(=O)CSc2nc3cc(Cl)c(C)cc3cc2C#N)cc1 915345 JISONYGBCKXXRT-UHFFFAOYSA-N 395.915 4.785 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1 993925 IYGFYQAAUZVGPL-SNVBAGLBSA-N 375.291 4.759 30 40 GJEB COc1ccc(CN/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1OC 20196387 RHIKUVWHPXEZQJ-AFUMVMLFSA-N 394.446 4.546 30 40 GJEB O=C(C1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O)c1ccccc1 32984129 JDDNHZBDNRROND-UHFFFAOYSA-N 395.867 4.990 30 40 GJEB CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3)C[C@H]12 71782847 FVOFOTKYRCADHJ-KRVMYXLKSA-N 390.527 4.938 30 40 GJEB CCCC(NCCc1c(C)[nH]c2ccc(OC)cc12)=C1C(=O)CC(C)(C)CC1=O 100140034 YVOSQVADCVLWCK-UHFFFAOYSA-N 396.531 4.629 30 40 GJEB CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1O 408854062 WSJGMWOVXJCTDF-MFOYZWKCSA-N 388.876 4.644 30 40 GJEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 408914815 ZBKXQVXWNAHECU-WYMPLXKRSA-N 390.439 4.858 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1Br 409009941 CQCZVJYHGJWRSN-HGLKBHAMSA-N 396.306 4.849 30 40 GJEB CCN1C(=O)S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O 409148476 YZAAUNHQCGMOLM-JAIQZWGSSA-N 387.464 4.617 30 40 GJEB O=C(/C=C/c1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@@H]1CO1 504215432 DJWDQGQXWBCZHE-SDNYCIMKSA-N 386.447 4.939 30 40 GJEB in-vitro C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1C 2342232 IHLIDBIYCKCYBX-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB C(=N/N=c1/[nH]c2ccccc2s1)\c1nc2ccccc2n1Cc1ccccc1 4108683 WPCMWNJONZWRCB-OEAKJJBVSA-N 383.480 4.562 30 40 GJEB O=C(O)c1ccc(N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4575719 DJZSZXWNCAOMDQ-YDZHTSKRSA-N 394.814 4.703 30 40 GJEB CC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 6596548 BIACYXKTHFWFEX-RCRZSSQQSA-N 385.920 4.893 30 40 GJEB N#Cc1ccccc1COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1 10118711 JBEBHESAJKBNNX-CVKSISIWSA-N 375.859 4.914 30 40 GJEB C=CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(OC)c(OC)c1 14083643 UFDFDZGMZBCDNJ-UHFFFAOYSA-N 385.464 4.580 30 40 GJEB CN(C)c1ccc(/C=N/c2ccc3c(c2)[C@H](N2CCOCC2)c2ccccc2-3)cc1 17147042 BIDJESMOYAKGJB-HNXXGLCESA-N 397.522 4.905 30 40 GJEB C=CCOc1ccc(/C=C2/SC(Nc3ccccc3OCC)=NC2=O)cc1 35647664 ODXMVBXIUOCFDU-XMHGGMMESA-N 380.469 4.733 30 40 GJEB CCSc1nnc(C)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1 36611505 WXJQEWCCUIZAQJ-KEBDBYFISA-N 390.896 4.715 30 40 GJEB CCc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cccc(C#N)c2)s1 95432656 BTZZVZRZEBZXIY-UHFFFAOYSA-N 388.492 4.685 30 40 GJEB COc1ccc([C@@H]2CC(=O)C=C(Nc3sc4c(c3C#N)CCCC4)C2)cc1 100151129 BQFVHBQPLUMAHS-HNNXBMFYSA-N 378.497 4.950 30 40 GJEB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2 100535493 NTQIYVSTPPRHKX-PDGQHHTCSA-N 376.485 4.526 30 40 GJEB CCOC(=O)c1c(C)oc2c1/C(=C\NCc1ccccc1)C(=O)c1ccccc1-2 103163938 APGJKTCAVVSQOG-XMHGGMMESA-N 387.435 4.759 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1F 106374804 KYWGCSZIZGSCRH-UHFFFAOYSA-N 396.491 4.563 30 40 GJEB Cc1ccc(-c2ccc(C#N)c(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2)cc1 215682420 UOQYRCCRAROABJ-IAGOWNOFSA-N 379.529 4.525 30 40 GJEB CN(c1ccncc1)c1ncccc1C(=O)Nc1ccc(C2(C#N)CCCC2)cc1 299754599 ZVTRLYIHFBCHKT-UHFFFAOYSA-N 397.482 4.832 30 40 GJEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408596750 UCSSWMUHNDFJFK-ZVHZXABRSA-N 387.395 4.596 30 40 GJEB Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccccn1 408962957 WIBAHSPCDNVIEX-LDADJPATSA-N 392.459 4.520 30 40 GJEB Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCN(C)C)cc1 5454969 QQRBOAZAOPOGLZ-UHFFFAOYSA-N 397.526 4.540 30 40 GJEB C=CCOc1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 9063255 CXSXSKUHRPTZOU-UHFFFAOYSA-N 384.907 4.756 30 40 GJEB COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccccc1Br 409099233 KGIIMPZNVUMHLJ-BKUYFWCQSA-N 389.293 4.817 30 40 GJEB O=C1/C(=C/c2ccc([N+](=O)[O-])o2)S/C(=N\c2ccccc2)N1c1ccccc1 983890 OTTNLVHZXSQNIQ-GERRWAMXSA-N 391.408 4.996 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccccc1C 2437937 AAEOBZRZPRDLKE-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB COc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(Cl)cc3)n2)cc1OC 4175395 VQODZCKKPIYJAA-BUVRLJJBSA-N 398.875 4.820 30 40 GJEB Cc1cccc(OCCOc2cccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2)c1 4511677 OSUULOVKPOBCEW-XQNSMLJCSA-N 391.427 4.807 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccn1-c1ccccc1 6616260 VNXHECVCWWTEEK-NLRVBDNBSA-N 390.446 4.736 30 40 GJEB Cc1cc(S[C@@H](C)C(=O)N2CCCCCC2)n2c(nc3ccccc32)c1C#N 7095402 VFNAFZLQUMSDJG-INIZCTEOSA-N 392.528 4.551 30 40 GJEB N#Cc1ccccc1COc1ccccc1/C=N/NCc1ccc(Cl)cc1 10118992 SKTXAWGTUVVZQZ-CVKSISIWSA-N 375.859 4.914 30 40 GJEB Cc1nc2c(cc(OC[C@@H](O)COc3ccc(C#N)cc3)c3ccsc32)s1 12981815 HRGJMPFIOIOCGO-AWEZNQCLSA-N 396.493 4.510 30 40 GJEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 36723613 BOWHIFGGPDYWMW-XMMPIXPASA-N 394.563 4.983 30 40 GJEB CCCCCCCCOc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1 102970769 PSHPEIVUWDAVNP-YDYPUGOESA-N 384.472 4.654 30 40 GJEB COc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl 409039289 RCFNRLHNTYQZDF-IGLQUIOVSA-N 387.082 4.716 30 40 GJEB CC1=C(c2ccc(N/N=C3/C=NC(=N)S3)cc2)C(=O)[C@@H](c2ccccc2)[C@@H]1C 1554503616 RMSSABPQXDHLMV-JRDLZQHKSA-N 388.496 4.940 30 40 GJEB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 4135009 URWFKRFFJDBSML-UHFFFAOYSA-N 383.542 4.533 30 40 GJEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(Cl)cc1 5551017 DVEBFQHULVGILC-ZROIWOOFSA-N 393.693 4.994 30 40 GJEB O=C1C(=Cc2cc([N+](=O)[O-])ccc2Sc2ccccn2)C(=O)c2ccccc21 13208222 UKAWGRNMGLZNRR-UHFFFAOYSA-N 388.404 4.604 30 40 GJEB Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCCC3)/C2=N\C(C)(C)C)cc1 33435810 HNYFMDLKHXZFRL-MEQARESCSA-N 381.564 4.954 30 40 GJEB Cc1ccc2nc(N/N=C\c3ccc4c(c3)OCO4)nc(-c3ccccc3)c2c1 33907892 FJGBBMFGKZCNJC-CFRMEGHHSA-N 382.423 4.780 30 40 GJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)s1 135946318 CMZCCEDQICGLRC-JAVZXRLNSA-N 399.472 4.917 30 40 GJEB C=CCSc1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 224526489 REDGXQSGCKTPGI-UHFFFAOYSA-N 380.557 4.881 30 40 GJEB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C#N 225776352 LEOKUKVNLWNKMS-UHFFFAOYSA-N 396.462 4.563 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(O)cc3)S2)c1C 409016011 AKASOOKZJOCYGZ-MOSHPQCFSA-N 389.480 4.691 30 40 GJEB Cc1ccc(/N=C/c2ccc(OCC(=O)O)c(Br)c2)cc1Cl 409200555 IERPSLDPYQGEAA-UFWORHAWSA-N 382.641 4.625 30 40 GJEB COc1ccccc1Oc1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1 409385416 LIMXVWKCQKBLDN-VULFUBBASA-N 399.450 4.678 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)c(C)c1 636690 FKHATEQSSCACRX-UHFFFAOYSA-N 399.446 4.652 30 40 GJEB COc1ccc(-c2c(C#N)c(SCC(=O)OC(C)C)nc3c2CCCC3)cc1 1439898 VIRUVEDTTXYRFX-UHFFFAOYSA-N 396.512 4.551 30 40 GJEB N#Cc1ccc(-c2cccs2)nc1SCCCn1c(=O)[nH]c2ccccc21 2312739 NWUYCTIUSSTHAC-UHFFFAOYSA-N 392.509 4.507 30 40 GJEB CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccs2)cc1 4987355 YMJNNKFTPDGAIT-NVXWUHKLSA-N 381.497 4.540 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)N=C(Nc1nc3ccccc3s1)N2 5906237 RFROMTHAXRSRMI-IBGZPJMESA-N 392.459 4.555 30 40 GJEB COc1ccccc1-n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O 8230383 DNXBFRPYQLKNBL-UHFFFAOYSA-N 399.475 4.558 30 40 GJEB O=C(/C=C\C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 17300319 XCPFGALFEXMGJF-KTKRTIGZSA-N 394.062 4.833 30 40 GJEB Cc1ccccc1N1C(=O)C[C@H](c2ccccc2OCc2ccccc2)[C@H]1C#N 26896029 KYOKAZZYGPCKIP-FYYLOGMGSA-N 382.463 4.987 30 40 GJEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 101247113 DKGPZKHWDJYAMG-HVESIFNPSA-N 388.250 4.601 30 40 GJEB C=CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 226333361 JLSPUXJRSAMKRF-VQHVLOKHSA-N 391.236 4.910 30 40 GJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2ccccc2)c1 409033894 GIMLJYOHMKBDSS-KIBLKLHPSA-N 394.290 4.980 30 40 GJEB COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2cc(C)cc(C)c2nc1Cl 883104 QNTQESLWGYEFQO-QGZVFWFLSA-N 393.874 4.835 30 40 GJEB Cc1ccc(C2=C/C(=C\c3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1 5393049 WYOFYCDFIQDSTK-LTGZKZEYSA-N 383.451 4.610 30 40 GJEB C/N=C1\S/C(=C\c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)N1C 5532906 BLTRGRUNIDSSNF-SASMBBMYSA-N 375.497 4.530 30 40 GJEB O=C1N/C(=N/N=C(/Cc2ccccc2)c2ccccc2)S[C@@H]1c1ccccc1 5646985 WZBSNTFNJNRRLN-VUSVCRIZSA-N 385.492 4.594 30 40 GJEB Cc1ccc(-c2ccsc2C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 6607465 ISFBVTPWGPKCKM-MRXNPFEDSA-N 396.493 4.522 30 40 GJEB CCc1cc2c3c(c1)/C(=N\c1cc(OC)cc(OC)c1)C(=O)N3C(C)(C)C=C2C 12406273 MUSLDOMPUIAWSY-NJNXFGOHSA-N 390.483 4.929 30 40 GJEB C=CCN1C(=O)/C(=C/c2cccc(OCc3cccc(C)c3)c2)SC1=S 13892837 IGJZOCDRTINRDO-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB CCO[C@H]1Oc2ccc(Cl)cc2C(=O)/C1=C/Nc1nc2ccccc2s1 16687961 PEQUIEKQBBATTB-GFBZKKKVSA-N 386.860 4.883 30 40 GJEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 19315173 GRIDNRKMSBYHQS-GOSISDBHSA-N 394.298 4.913 30 40 GJEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cccc2ccccc12 19959815 LXSNQWVYAFEUPA-VOJFVSQTSA-N 398.388 4.718 30 40 GJEB COc1ccc(CN/N=C/c2cccc(OCc3ccc(C)cc3)c2)cc1OC 20196097 KKFQEGZTANQYNU-MFKUBSTISA-N 390.483 4.715 30 40 GJEB N#Cc1cccc(COc2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2)c1 31777168 VMTKAHHASSLTQF-UHFFFAOYSA-N 381.435 4.800 30 40 GJEB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccc(C#N)c1 32900321 XRUOUSQDZMQSCC-QGZVFWFLSA-N 383.451 4.644 30 40 GJEB C[C@H](Oc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1)C(=O)O 39557397 FMSRUIMKDWXZBS-XPAGJJBOSA-N 382.641 4.705 30 40 GJEB Cc1ccc(C)c(C(=O)/C=C/Nc2ccc(I)cc2)c1 44844543 KLXXAOGJLQKRCO-MDZDMXLPSA-N 377.225 4.717 30 40 GJEB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 48281956 SPTXJIXLUUVAOX-HNNXBMFYSA-N 378.403 4.703 30 40 GJEB CC1(C)[C@H]2CC[C@@]1(C)C(=O)/C2=C\Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 102270909 OPGFGDNFRNOFSE-OOUCJRMFSA-N 385.463 4.783 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(F)c1 102565348 WAKJSDFXPQAWKO-YDJIHCHBSA-N 381.447 4.828 30 40 GJEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102863559 GKDOMYIDFOUISZ-WOOAAIBNSA-N 393.826 4.555 30 40 GJEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1O[C@H](C)CC 409095714 ILIFXGWFUKZXRK-KIHMUJGBSA-N 392.843 4.665 30 40 GJEB N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCC[C@H]3C#N)c2)cc1 596700639 PDNFHFIWFYLIHP-SIKLNZKXSA-N 388.471 4.536 30 40 GJEB COc1cc(Br)c(/C=C2\Sc3ccccc3C2=O)cc1OC 686930 DSCNEIHWAOSEHL-PXNMLYILSA-N 377.259 4.796 30 40 GJEB Cc1ccc([C@@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)c(C)c1 2065965 LIQFTDFFTGZGCH-OAQYLSRUSA-N 385.419 4.530 30 40 GJEB O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2cccc3ccccc23)cc1 4454611 NJSCROQYPGAQRQ-LFVJCYFKSA-N 387.464 4.786 30 40 GJEB CCOC(=O)C1=C(C)N/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C1=O 4679372 ZIFVRNFVBOVNFS-OQLLNIDSSA-N 392.238 4.604 30 40 GJEB C(=N/Nc1nc2ccccc2[nH]1)\c1ccc(N2CCC(c3ccccc3)=N2)cc1 4865289 JYDYSRSZZDPRGU-LFVJCYFKSA-N 380.455 4.623 30 40 GJEB Cc1noc2c1[C@@H](c1cccs1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 21349508 JGYIUOVMWBOWAM-ZUOKHONESA-N 378.453 4.708 30 40 GJEB Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)C[C@@H](C)C#N)c2=S)cc1C 48343134 ALOGVANBPGSKRJ-INIZCTEOSA-N 391.544 4.736 30 40 GJEB N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1Cc1cccc2ccccc12 225886566 SPVXVQBXWLMGFP-UHFFFAOYSA-N 383.407 4.664 30 40 GJEB CN(C(=O)C1(c2cccc(C#N)c2)CCC1)c1nc2c(Cl)cccc2s1 1616043753 IYCFLPONLMBJND-UHFFFAOYSA-N 381.888 4.906 30 40 GJEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)c1 980739 SYZNSHTVWZEXJO-SRZZPIQSSA-N 399.859 4.619 30 40 GJEB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C(=O)c2ccc(F)cc2)c1=O 2171394 SCOOUVBASHYUAU-UHFFFAOYSA-N 394.405 4.882 30 40 GJEB COc1ccc(/C=N/Nc2ccccc2C(=O)O)cc1COc1ccc(F)cc1 6182181 CNZWUSBWCYBVPU-ZMOGYAJESA-N 394.402 4.558 30 40 GJEB C=CCSc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 6589608 YJEIMOZLRZAROL-UHFFFAOYSA-N 381.526 4.977 30 40 GJEB CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(C)cc3)c(C)s1)C(=O)N2 13857158 VFJNULVXGBBZGA-UHFFFAOYSA-N 376.485 4.758 30 40 GJEB CN(C)CCC(/C=C\c1ccccc1)=N/Nc1c(F)c(F)c(F)c(F)c1F 17194750 MWGDFAJJQLTKSL-WJKZTMFLSA-N 383.364 4.815 30 40 GJEB O=c1oc2ccccc2c(O)c1[C@@H](C/C(=N/O)c1ccccc1)c1ccccc1 104168449 JVLKJJUUXZSGTK-RPYJSOBJSA-N 385.419 4.899 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O 208257021 KDKMYLQNEMJURX-AXIYWZQUSA-N 388.920 4.732 30 40 GJEB Cc1ccc2c(c1)/C(=N/Nc1cc(Cl)cc(Cl)c1)C(=O)N2C1CSC1 223720666 AZPLRLHXWFVOAR-XLNRJJMWSA-N 392.311 4.580 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 408910206 JOQPJEDVKDHNPV-GRSHGNNSSA-N 386.751 4.862 30 40 GJEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1ccc(C)cc1 408930236 UMRJTAOIXZCSHD-SAPPFYIZSA-N 396.512 4.505 30 40 GJEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 409158762 LPXIJUZXDXELOM-CXUHLZMHSA-N 399.269 4.557 30 40 GJEB C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCC)C1=O 409347456 QAZXBQLMLMEVAO-UVTDQMKNSA-N 398.347 4.625 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)C[C@](C)(CC)OC3 2217809 KOGGOWBTGNYYQC-IBGZPJMESA-N 376.547 4.554 30 40 GJEB N#CCCN(C(=O)CSc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 3303851 QHLXGQJAXBDUQN-UHFFFAOYSA-N 399.825 4.793 30 40 GJEB Cn1c(N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nc2ccccc21 7343369 SHLOOHIDVJSQAL-SRZZPIQSSA-N 395.806 4.841 30 40 GJEB COc1cc(/C(C)=N/Nc2ncnc3sc(C)c(C)c23)ccc1OC(F)F 8284563 POYRRRPZARUVGD-AUEPDCJTSA-N 392.431 4.754 30 40 GJEB C=C(C)Cn1cnc2c(sc3nc(-c4ccc(Cl)cc4)nc(C)c32)c1=O 9486272 VYMAPJCSQSOUOS-UHFFFAOYSA-N 382.876 4.606 30 40 GJEB Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)ON=C3c3ccccc3)cc2)cc1 33393246 ZMAQUZIEVNDWPU-RCCKNPSSSA-N 383.403 4.559 30 40 GJEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102880189 ROFCVOQUOFWLAD-NHFXJNLRSA-N 391.373 4.591 30 40 GJEB CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916041 ZZCLFVCHZVPTRZ-XMZMUABXSA-N 396.575 4.869 30 40 GJEB COc1cccc(-n2c(C)cc(/C=N\OCc3cccc([N+](=O)[O-])c3)c2C)c1 408588668 CFKBPMQJBGBASE-XKZIYDEJSA-N 379.416 4.562 30 40 GJEB OC1(C#CC2(O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 1579000 JRRAMNDQTQXJFQ-UHFFFAOYSA-N 386.450 4.823 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccc(Cl)c1 4918305 AMCZKCFVZWYSMG-FPOVZHCZSA-N 384.859 4.668 30 40 GJEB C[C@H](Oc1ccc2ccccc2c1Br)C(=O)Nc1cccc(C#N)c1 5347003 OTGHGIJKVURAIC-ZDUSSCGKSA-N 395.256 4.880 30 40 GJEB Cc1cc2c(cc1Br)NC(=O)/C2=N\c1ccc(Br)cc1 5425724 QHOKBFGLSLUFJG-UHFFFAOYSA-N 394.066 4.593 30 40 GJEB N#CCCN(C(=O)CSc1nc(-c2ccccc2)cs1)c1ccccc1 5971955 PDVQVJWOUKKOSL-UHFFFAOYSA-N 379.510 4.849 30 40 GJEB COc1ccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3o2)cc1OC 9422334 LTMRBKAGSZRIKF-ATVHPVEESA-N 386.407 4.664 30 40 GJEB C=CCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Cl)cc1 12419217 UTAYADMRKPUGPL-UHFFFAOYSA-N 388.876 4.734 30 40 GJEB Cc1ccc(N2N=C(c3ccccc3)/C(=N/c3ccc(N(C)C)cc3)C2=O)cc1 16292751 ZKHBOLAWKLDAQB-BZZOAKBMSA-N 382.467 4.585 30 40 GJEB C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 29811274 QOZHJJZAXRLLLZ-INIZCTEOSA-N 394.519 4.731 30 40 GJEB C=CCSc1ccccc1NC(=O)CNC1(c2nc(C)cs2)CCCC1 72308885 MSEVIXDZNGTKMZ-UHFFFAOYSA-N 387.574 4.727 30 40 GJEB COc1cc([C@@H]2N=C(SC)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 107644594 CTBQFPGTKODGTE-FQEVSTJZSA-N 382.485 4.544 30 40 GJEB Cc1c(/C=C2\C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cnn1C 253508531 SGZGWFBJNFOJSO-TXBBOKTHSA-N 392.543 4.823 30 40 GJEB COc1cc(Cl)c(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)cc1OC 408981564 VTWHQQNGOFOTPA-UHFFFAOYSA-N 379.847 4.679 30 40 GJEB C#CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 409188658 JIIQPLXBQWJEBN-LDADJPATSA-N 399.855 4.602 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F 2055416 QFJGNRKPVXFJLV-GOSISDBHSA-N 393.405 4.627 30 40 GJEB Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccc(Cl)cc3)o2)cc1 4538881 YFYAPSSVJKCAJF-UHFFFAOYSA-N 398.871 4.651 30 40 GJEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 4733801 NIQUINPNXZDKJD-FSSWDIPSSA-N 399.881 4.720 30 40 GJEB C=CCn1c(SCc2nc(-c3cccs3)no2)nnc1C1CCCCC1 7045151 YJLIDRYQODRMLR-UHFFFAOYSA-N 387.534 4.916 30 40 GJEB Cc1ccc(C(=O)C2=CN(c3ccccc3)c3ccccc3S2(=O)=O)c(C)c1 32984247 RLUXOZXWNPDULB-UHFFFAOYSA-N 389.476 4.953 30 40 GJEB C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)N(C)C 96023611 NZZQZWQHKWTQRO-YKKKOGGMSA-N 399.619 4.692 30 40 GJEB biogenic C=CCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)c2ccccc12 225916376 HZLHSTUVMVGMIM-UHFFFAOYSA-N 381.472 4.667 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1ccccc1 408813916 FCNVZJATPGVSRZ-UYRXBGFRSA-N 395.480 4.669 30 40 GJEB COc1ccc(/C=N/n2c3ccccc3c3ccccc32)cc1OCCN(C)C 1729964 UFUIDDYVXNTKHH-KOEQRZSOSA-N 387.483 4.626 30 40 GJEB C=CCSc1nnc(NC(=O)COc2ccc(-c3ccccc3)cc2)s1 3352125 BHIBBONRCSYLGY-UHFFFAOYSA-N 383.498 4.501 30 40 GJEB N#Cc1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1 4071981 QINDYSWMHRBESL-UHFFFAOYSA-N 384.258 4.697 30 40 GJEB O=S(=O)(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 4089985 KHQKKUUTHPQGDW-FBCYGCLPSA-N 392.691 4.623 30 40 GJEB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)c1 4599613 DOLCYADAXVJGPW-SRZZPIQSSA-N 399.790 4.741 30 40 GJEB Cc1sc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3)c2C)c(C#N)c1C 4739153 ONFGHTZMMFZATN-SSDVNMTOSA-N 393.472 4.998 30 40 GJEB Cc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc(C)c1O 4812483 ZJWYUUBWKSMHFJ-HXUWFJFHSA-N 399.490 4.947 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C#N)C1 5383756 KWCGJTBHOVISKH-CFVMTHIKSA-N 388.533 4.600 30 40 GJEB Cc1ccc(C2=C/C(=C\c3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1C 5393050 DIVCMGYQCTVIIS-CJLVFECKSA-N 397.478 4.919 30 40 GJEB CCc1cc2c(SCC(=O)Nc3c(C#N)oc4ccccc34)ncnc2s1 7975786 GWVFWPWEJPQBIQ-UHFFFAOYSA-N 394.481 4.602 30 40 GJEB N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2cccs2)sc2c1CCCC2 8320327 YOBGHVYIMXXLSJ-MRXNPFEDSA-N 385.558 4.726 30 40 GJEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ncc(C)s2)cc1 8557822 PIVYBLBGLGXSQY-INIZCTEOSA-N 396.493 4.604 30 40 GJEB COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 10219581 GTACTNMBFCPBPK-ZDUSSCGKSA-N 386.542 4.874 30 40 GJEB CC(C)/C(=N/O)c1ccc(OCCOc2ccc(/C(=N/O)C(C)C)cc2)cc1 13302396 ASZKCLACNZJPQZ-MMUCEYJRSA-N 384.476 4.813 30 40 GJEB N#CCCN(Cc1cccnc1)C(=O)Nc1ccccc1Oc1cccc(F)c1 79052627 PNMUACXZSGMFLT-UHFFFAOYSA-N 390.418 4.961 30 40 GJEB CCCCCCCCNC(=S)N1CCN(c2nc3ccccc3s2)CC1 100339469 YHOIHRJZYQFTQY-UHFFFAOYSA-N 390.622 4.653 30 40 GJEB CCc1nnc(S)n1/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408858045 IPSXEZHRKLVZJS-SSDVNMTOSA-N 395.919 4.668 30 40 GJEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCC 408904363 IHSCGKDZYYHOAY-XSFVSMFZSA-N 376.456 4.629 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1c(C)cccc1C 408911404 NKJNATWSNNTTHE-XGHAMVSDSA-N 379.529 4.993 30 40 GJEB N#Cc1ccc(OCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1 8291237 XYOLBTNUXQPWAA-OAQYLSRUSA-N 386.476 4.817 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 8339272 OFBHNEKLBCWTQB-UHFFFAOYSA-N 399.519 4.672 30 40 GJEB C=CCn1c(-c2ccccc2)c(NC(=O)OC)s/c1=N\c1ccccc1OC 26770727 LKKBNQLILXMDHC-XDOYNYLZSA-N 395.484 4.822 30 40 GJEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)Nc3ccccc3Cl)nc2c1 35292354 FOOISMWNXRPMAJ-UHFFFAOYSA-N 393.878 4.610 30 40 GJEB Brc1cc(/C=N/c2cccc3ccccc23)oc1N1CCOCC1 59303197 KYKHEAWXSYMHHW-FYJGNVAPSA-N 385.261 4.783 30 40 GJEB C=CCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(C)cc2)C3)cccc1OC 100765925 DGRTUJASLHDSSW-VXKWHMMOSA-N 393.527 4.583 30 40 GJEB N#Cc1cc2c(nc1SCC(=O)Nc1c(Cl)cccc1Cl)CCCC2 803773 OZPXHYFICAUJQT-UHFFFAOYSA-N 392.311 4.870 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C#N)C1 997360 GBFFXYOBNNGLEE-VIFPVBQESA-N 375.837 4.558 30 40 GJEB CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1O 5336061 JREKWBNRYPLNRL-VXLYETTFSA-N 395.240 4.763 30 40 GJEB Cc1sc(NC(=O)Cn2ccc3cc(Br)ccc32)c(C#N)c1C 6389852 DRTIRRCYCRUWSV-UHFFFAOYSA-N 388.290 4.593 30 40 GJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)c1 8410954 GQPYAIZSXZVVPP-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC 20196182 NNWZMZYKIAWCNU-MFKUBSTISA-N 377.488 4.543 30 40 GJEB COc1ccccc1N1C(=O)C[C@@H](c2ccccc2OCc2ccccc2)[C@H]1C#N 26896013 MLLBHDDXLGJDOP-RBBKRZOGSA-N 398.462 4.687 30 40 GJEB COc1ccccc1[C@H](C)NC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 95468065 AEUSJIOESPEBJY-LBPRGKRZSA-N 394.418 4.555 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2ccccc21 408692789 VLIKQPNOSZFEHP-FYJGNVAPSA-N 375.388 4.670 30 40 GJEB Cc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C#N)cc1 409101034 OTUQOSAPFSTIMQ-KBKYJPHKSA-N 383.377 4.826 30 40 GJEB Cc1ccc(-c2csc(/C(C#N)=N\Nc3ccccc3[N+](=O)[O-])n2)c(C)c1 6472902 PIKLQXGTALJVNT-KQWNVCNZSA-N 377.429 4.675 30 40 GJEB O=C(Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1)c1cccc(Cl)c1 6505709 NRJDYQUEEWJDJE-WSDLNYQXSA-N 395.802 4.957 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C(/Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 6574859 FYIPOPSKOCRNIR-QOCHGBHMSA-N 376.372 4.562 30 40 GJEB O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)c1cccs1 13758622 URDKELMSOMBRMP-UHFFFAOYSA-N 378.304 4.640 30 40 GJEB O/C(=N\c1nnc(-c2ccccc2)s1)c1ccc(CN2CCCCC2)cc1 25449606 DOXGXVXTSFYJMX-UHFFFAOYSA-N 378.501 4.827 30 40 GJEB CC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 4935724 TZMLSDXOSJFJPP-RJGADWEDSA-N 389.883 4.723 30 40 GJEB N#CCCn1cc(C(=O)CSc2nnc(-c3cccs3)o2)c2ccccc21 6821911 MMBSYZJSRZVKPK-UHFFFAOYSA-N 394.481 4.641 30 40 GJEB N#CCC[C@H](C#N)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 7203875 ZIJINEDLEQOFPA-CQSZACIVSA-N 397.891 4.775 30 40 GJEB C=CCOc1ccccc1NC(=O)c1cccc(-n2nc(C)c(Cl)c2C)c1 12204285 JCJXQSMQWHGSNK-UHFFFAOYSA-N 381.863 4.960 30 40 GJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccc(Cl)cc1Cl 12852976 WQJDQQQLRDKOLF-UHFFFAOYSA-N 388.254 4.829 30 40 GJEB CC[C@](CO)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 72289913 QNWJCTKPWISMPI-RUZDIDTESA-N 386.495 4.525 30 40 GJEB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(C3(C#N)CC3)cc2)n1 225916420 BVPZLJXAEVCPDD-UHFFFAOYSA-N 383.455 4.645 30 40 GJEB CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(OCC)c1 408534693 WBMPNELTHOUAHH-UNOMPAQXSA-N 382.485 4.684 30 40 GJEB CCN1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1cc(C)ccc1C 408910025 VSNLPYSJBKLYMH-NVTWWLNUSA-N 391.496 4.830 30 40 GJEB C=CCOc1cccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c1 409339044 RGNXKLIDPRLRIJ-AQTBWJFISA-N 383.494 4.666 30 40 GJEB CN(C)c1ccc(/C=N/Nc2nc3ccccc3s2)cc1Br 4675133 BGEKZMJDGBGNNO-VCHYOVAHSA-N 375.295 4.571 30 40 GJEB Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccs3)CO4)C2=O)o1 9577356 FRQGQPXLZUXTJF-OCKHKDLRSA-N 379.437 4.618 30 40 GJEB O=C1/C(=C\c2cccnc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 13107972 VMDYTJZMWKJKAS-LRXZINBSSA-N 385.492 4.754 30 40 GJEB Cc1cc(/N=C\c2ccc(N3CCCC3)cc2)ccc1I 17819738 XOGIEDUOQHXYMA-MOSHPQCFSA-N 390.268 4.950 30 40 GJEB O=C(O/N=C(/c1ccc([N+](=O)[O-])cc1)c1cccs1)c1ccccc1Cl 30836298 LZUYAZTVIISGOE-JZJYNLBNSA-N 386.816 4.919 30 40 GJEB C=CCOC(=O)c1ccc(-c2ccc(Br)cc2Br)o1 73638336 BLDAFORZTMMUMI-UHFFFAOYSA-N 386.039 4.814 30 40 GJEB CCOc1cc(/C=N/N2C(=O)CS/C2=N/c2ccc(C(C)C)cc2)ccc1O 96936329 JRKLKSSLZMDGSM-OXYYMIMUSA-N 397.500 4.511 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)nc2ccccc21 408692306 JMJJDGJZVAUZEC-LPYMAVHISA-N 389.415 4.979 30 40 GJEB CCN(CC)c1ccc(/C=N/c2ccc(I)cc2)c(O)c1 668184 DFOQQPLACFZKCF-XDHOZWIPSA-N 394.256 4.594 30 40 GJEB COc1ccc(/C=C2/CCC/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC 856144 YOTDZZKBJHGVNA-MGYAYREDSA-N 394.467 4.941 30 40 GJEB biogenic,in-vitro O=C1SC(SCc2ccccc2Cl)=N/C1=C\c1ccc([N+](=O)[O-])o1 4660203 OFDPQEWGSGEDSS-GHXNOFRVSA-N 380.834 4.745 30 40 GJEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 9577307 DMWWEKPFPYFCHR-RANIVTSPSA-N 380.440 4.757 30 40 GJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccnc3cc(Cl)ccc23)c1O 38183810 SRQSADFRBXGPES-DNTJNYDQSA-N 377.187 4.601 30 40 GJEB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)/C(O)=N/c1nc(C2CC2)n[nH]1 95473456 KQDXAWLZSGSEKH-CYBMUJFWSA-N 395.290 4.789 30 40 GJEB Cc1ccc([C@@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 100003728 LWERPKAZMDEKDX-HXUWFJFHSA-N 382.500 4.854 30 40 GJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3)c2C)cc1 100212144 USVJMRVEUGKROS-OEAKJJBVSA-N 391.427 4.930 30 40 GJEB Cc1cc(I)ccc1/N=C\c1ccc(N2CCCC2)o1 408844296 HUNSRASAWCNNST-WQRHYEAKSA-N 380.229 4.543 30 40 GJEB COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1OC 4729026 CUJQKPIQOCCCCD-IXJZBSLMSA-N 394.559 4.811 30 40 GJEB COc1ccc(NC(=O)[C@H](Oc2ccc(C#N)cc2)c2ccccc2)cc1Cl 5111603 SKENTQRWENFPBN-OAQYLSRUSA-N 392.842 4.979 30 40 GJEB Cc1ccc2oc(-c3cc(/N=C\c4cccc([N+](=O)[O-])c4O)ccc3O)nc2c1 5364144 OHGNYEIAULVSHW-JJFYIABZSA-N 389.367 4.873 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C#N)C1 6250358 ZRKVUHCJXJLMCZ-CQSZACIVSA-N 376.481 4.915 30 40 GJEB Cc1nc(OCc2c(Cl)cccc2Cl)c(C#N)c2c1COC(C)(C)C2 13693409 BSBCIBQKBQBPOZ-UHFFFAOYSA-N 377.271 4.999 30 40 GJEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)s1 33619029 CMZCCEDQICGLRC-YJRZJZHCSA-N 399.472 4.917 30 40 GJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)cc1 36365037 AIERGUXKESERQK-INIZCTEOSA-N 382.345 4.886 30 40 GJEB CCc1nc(CO/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cs1 40152843 IZZSNRZSAVHVRU-WSDLNYQXSA-N 382.485 4.844 30 40 GJEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)c1 59138032 NGKYZZZEFAQWSN-AQTBWJFISA-N 381.501 4.778 30 40 GJEB COc1cc(O)c(C=Nc2ccc(N3CCCCC3)cc2)cc1Br 254836984 MULCNZLLLDJDGB-UHFFFAOYSA-N 389.293 4.904 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)cc1 408959842 GTDIJBBLZMQASD-HKWRFOASSA-N 393.512 4.577 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccs3)n2CC)c1C 2625740 SANBKUGHZYDPGD-UHFFFAOYSA-N 386.546 4.606 30 40 GJEB C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 3212030 MTGNJOKTLRCWOE-UHFFFAOYSA-N 391.559 4.919 30 40 GJEB COc1cc(Br)cc(/C=N/c2ccccc2N2CCCCC2)c1O 4710977 QGPKAVOHMNGBFP-FYJGNVAPSA-N 389.293 4.904 30 40 GJEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccc(F)c(Cl)c3)nc12 4849052 AZLMITPBHWSFII-UHFFFAOYSA-N 385.851 4.938 30 40 GJEB COC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)c1 8811693 FUQWIDUEIMNXRE-AFUMVMLFSA-N 395.890 4.658 30 40 GJEB C[C@H]1C[C@H](C)CN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)C1 12418857 SABUFLNQWUCUQM-HOTGVXAUSA-N 377.444 4.868 30 40 GJEB C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccc(C)c(Cl)c2)s1 12871968 AFTBAKMXLNCTPY-UHFFFAOYSA-N 394.953 4.536 30 40 GJEB COc1ccc(CN/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1OC 20195730 UOHVWROQJVHIDB-MFKUBSTISA-N 390.483 4.715 30 40 GJEB C#CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1OC 33740777 KYNYRPRXZDAFST-UHFFFAOYSA-N 380.669 4.735 30 40 GJEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 36723615 BOWHIFGGPDYWMW-DEOSSOPVSA-N 394.563 4.983 30 40 GJEB Cc1nc(COc2ccc(/C=C(/C(=O)C(F)(F)F)c3ccccc3)cc2)no1 84281381 RIBHTWKOFLNVEL-GZTJUZNOSA-N 388.345 4.629 30 40 GJEB Cc1ccc2[nH]c(=O)c(/C=N/c3c(Cl)cc([N+](=O)[O-])cc3Cl)c(O)c2c1 101634562 RJBYXWFUDOFYBX-IFRROFPPSA-N 392.198 4.508 30 40 GJEB N#C[C@H](C(=N\O)/C(=N/O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 104285920 SAYXXJMIMHHQDN-MJRVMXSOSA-N 387.226 4.568 30 40 GJEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccccc1 408978111 YDBDGVPBHMZGFO-PSQINSSGSA-N 387.458 4.593 30 40 GJEB Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc([N+](=O)[O-])cc2)c1 409049137 UZDYVSKFRUQLBN-OEAKJJBVSA-N 389.411 4.671 30 40 GJEB Cc1cc(OCC(=O)Nc2cccc(C#N)c2)c(C(C)C)cc1Br 674706 JJMRZQVOVIKFAS-UHFFFAOYSA-N 387.277 4.770 30 40 GJEB N#Cc1nc(COc2ccc(F)cc2)oc1N1CCC(Cc2ccccc2)CC1 2203480 ZRBLLKXCOVYKOV-UHFFFAOYSA-N 391.446 4.723 30 40 GJEB COc1ccc(-n2c(N)c(C#N)c(C)c(/N=N/c3ccc(Cl)cc3)c2=O)cc1 5536060 VDDPZMLIZFHSJG-OCOZRVBESA-N 393.834 4.677 30 40 GJEB CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 47533929 ZVCTZVRGMNHZIU-INIZCTEOSA-N 389.503 4.609 30 40 GJEB N#Cc1c(CSc2nnc(COc3ccc(Cl)cc3)o2)cn2ccccc12 58344837 XCIGKERQMLYIDS-UHFFFAOYSA-N 396.859 4.719 30 40 GJEB O=C(Oc1ccc(/C=N/c2cccc(Br)c2)cc1)c1ccccn1 100852752 NPWUEMWENWORTL-LPYMAVHISA-N 381.229 4.814 30 40 GJEB Oc1ccccc1/C=N/c1c(-c2ccco2)nc2ccc(Br)cn12 408721290 NYMSJNUTPSSGFO-KEBDBYFISA-N 382.217 4.813 30 40 GJEB C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@@H](C=NNc3ccccc3)[C@H]1C[C@H]42 1559522220 YOIXAKPYNYEUBR-RAPGRBBXSA-N 399.562 4.631 30 40 GJEB CCOC(=O)c1oc2ccc(/C=N/CCc3ccc(O)cc3)c(Cl)c2c1C 2075205 AOEFFSQYZFSHAS-FSJBWODESA-N 385.847 4.939 30 40 GJEB CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccccc1 4680292 HIYICTPYTGWRDC-BRQLWOPXSA-N 388.876 4.678 30 40 GJEB COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4C)C(=O)[C@@]3(C)CC[C@@H]21 17079760 FNMQPGMXOHYDGL-FELRKITOSA-N 390.527 4.856 30 40 GJEB COc1ccc(CN/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1OC 20196363 SRTJUZZQYGTJCD-AFUMVMLFSA-N 394.446 4.546 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 33246858 MJTZPQBISXJJMC-HAHDFKILSA-N 383.411 4.894 30 40 GJEB COc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1OC 59461337 CWZLGWIGNVBLLO-TYJLCGHTSA-N 382.441 4.894 30 40 GJEB Cc1c(Cl)cccc1N/N=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 95215271 FWMPEJHGUDUCQN-NJNXFGOHSA-N 388.858 4.867 30 40 GJEB C/C(=N\c1ccc(C(=O)O)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370350 SQMPWVXCJWZQEM-MFKUBSTISA-N 398.418 4.535 30 40 GJEB Cc1cc(/N=C/c2cccn2-c2cccc(C(=O)O)c2)ccc1Br 409101565 YINABKABOMUYHI-CIAFOILYSA-N 383.245 4.997 30 40 GJEB C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 981405 UJOUZKFLNHCFCG-FYJGNVAPSA-N 386.476 4.668 30 40 GJEB OC1(CC#CCN2CC[C@H](c3ccccc3)C2)c2ccccc2-c2ccccc21 2272401 WSCZYPIZXWKJGE-QFIPXVFZSA-N 379.503 4.786 30 40 GJEB N#CCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 3274729 FDBQPTYIXJEQTE-UHFFFAOYSA-N 377.311 4.828 30 40 GJEB COc1cc(-c2cc(-c3cc(C)oc3C)nc(S)c2C#N)cc(OC)c1OC 4712002 FPBWIYILPXPUQZ-UHFFFAOYSA-N 396.468 4.812 30 40 GJEB CCOc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 59417072 JSRQGIKIUHAZCR-BUVRLJJBSA-N 386.455 4.987 30 40 GJEB C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)N1C 408776790 ZEFGRFLQSREFBA-QFGKFHJGSA-N 381.545 4.924 30 40 GJEB CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)C(=O)N1CC 408850411 NGIMXFWHPFWSCG-DJOYVXLESA-N 397.544 4.805 30 40 GJEB CCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1cc(C)ccc1C 408910476 WTQAWKYVCGTRBG-WBCKRXDOSA-N 382.485 4.642 30 40 GJEB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc2n1C 4676539 PWWHSANSDDQHLP-JAIQZWGSSA-N 387.464 4.595 30 40 GJEB Cc1c(/C=C2/C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cnn1C 6527510 NZSLOBGOEKKDIY-TWGXUHNUSA-N 376.500 4.553 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3cnn(C)c3C)C[C@@H]12 17079761 FNMQPGMXOHYDGL-DJTQYWCHSA-N 390.527 4.856 30 40 GJEB Cc1ccc(CN2CCN(/N=C/c3ccc(Cl)cc3Cl)CC2)c(C)c1 19800705 LRQPGQZDQHNGAH-YDZHTSKRSA-N 376.331 4.762 30 40 GJEB CCCCCCCC(=O)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(CC)cc1 100563081 GYQGFULVWBOERA-LJQANCHMSA-N 384.442 4.905 30 40 GJEB Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1cccnc1 408850970 SPYORELASGWNAW-ODLFYWEKSA-N 392.459 4.520 30 40 GJEB CC/N=C1\S/C(=C\c2ccccc2OCc2cccc(C)c2)C(=O)N1CC 408852596 UTPLIBQHRVZTMW-DJOYVXLESA-N 380.513 4.886 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C1CCCCC1 3296848 IJOSGIASYQKISN-UHFFFAOYSA-N 384.549 4.859 30 40 GJEB Brc1ccccc1/C=N/Nc1ncnc2sc3c(c12)CCCC3 4348870 XXQUHPYPOAXEOL-ZVBGSRNCSA-N 387.306 4.779 30 40 GJEB C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccccc3Cl)nnc12 5277612 FIVDKOFSESNNHR-ZDUSSCGKSA-N 396.903 4.737 30 40 GJEB O=C1CCCC(OC(=O)c2cccc(F)c2)=C1Sc1ccccc1[N+](=O)[O-] 5446807 PKWPRGKAWBQUIQ-UHFFFAOYSA-N 387.388 4.648 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc2ccccc2o1 6303998 VNMAFAMJITWMTN-UHFFFAOYSA-N 390.468 4.608 30 40 GJEB N#C[C@H](C(=O)/C=C/c1ccc(Br)cc1)c1nc2ccccc2s1 40150571 ZGSWGZXEHBQCFB-DNGMOHDESA-N 383.270 4.948 30 40 GJEB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)COc2ccccc21 89857571 KLUVGMQTBKIUPR-CPNJWEJPSA-N 379.419 4.593 30 40 GJEB O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)CCc2nc(-c3ccccc3)sc21 97284861 WNVQPBBNLLBMFZ-UVTDQMKNSA-N 378.409 4.636 30 40 GJEB Cc1ccc(C(C)C)cc1COc1nn(Cc2ccc(F)cc2)c(N)c1C#N 225843018 FIUQXWOMDKAJRJ-UHFFFAOYSA-N 378.451 4.535 30 40 GJEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)cc1C#N 225845165 QXFJNDSMWNZXTD-UHFFFAOYSA-N 388.508 4.680 30 40 GJEB COc1ccc(-c2cc(C(F)(F)F)nc(N/N=C/c3ccc(F)s3)n2)cc1 252487981 IGFSFPLICSWKPA-LSFURLLWSA-N 396.369 4.818 30 40 GJEB C/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)N1C 408775223 ZTEVLNDTXQXCPR-MONBMGCGSA-N 387.508 4.985 30 40 GJEB C=C(C)CN(CCCc1nc2ccccc2n1CC(=C)C)C(=O)c1ccco1 585655843 KTYAOZBBUOMSJC-UHFFFAOYSA-N 377.488 4.857 30 40 GJEB N#C[C@@]1(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C=CN1C(=O)c1ccccc1 707820 LRPFWRQKJHEXER-DEOSSOPVSA-N 395.418 4.683 30 40 GJEB COC(=O)[C@H]1C(=O)C=C(Nc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 1080015 SBODGHGPPUOMPZ-PKOBYXMFSA-N 389.373 4.547 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1C 2205458 SNWAJBAXTJZIAL-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 5385044 VUBUCUOMUVDLPY-XDJHFCHBSA-N 391.707 4.739 30 40 GJEB Cc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 7778203 LDBIXBPQQAQNLE-JXMROGBWSA-N 395.415 4.698 30 40 GJEB COc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3[nH]2)cc1 32699292 UVYCLUJAKPLRIT-RGEXLXHISA-N 399.406 4.903 30 40 GJEB Cc1cc2cc(C#N)c(SCC(=O)Nc3nc(C)c(C)s3)nc2cc1C 34791539 WAABGAQMBKTGHN-UHFFFAOYSA-N 382.514 4.527 30 40 GJEB COC(=O)c1ccc(N2[C@]3(C#N)CCCC[C@@H]3C[C@H]3CCCC[C@]32C#N)cc1 102667722 QFDDWPDUHMHVIP-VKGYTVAMSA-N 377.488 4.588 30 40 GJEB Fc1ccc(/N=C/c2cc(Br)c(I)o2)cc1 408953962 RAIZKUTWOSLLNJ-GIDUJCDVSA-N 393.981 4.536 30 40 GJEB O=C(O)c1ccccc1-c1ccc(/C=N\Nc2ccc(Br)cc2)o1 409201075 LPNSUWYYCBJGPP-JAIQZWGSSA-N 385.217 4.853 30 40 GJEB C[C@@H]1CCc2sc(NC(=O)c3cccc(Br)c3)c(C#N)c2C1 4070060 JEACBCZNPAZSEZ-SNVBAGLBSA-N 375.291 4.759 30 40 GJEB Cc1c(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cnn1C 4178721 YXWCFPYLJKIHKI-QLHFDWSDSA-N 390.531 4.765 30 40 GJEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)sc1C 4311755 WZPJGBCCFJDLTA-SFHVURJKSA-N 390.464 4.543 30 40 GJEB COC(=O)c1ccc(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)cc1 12032545 JXDSUEYAEUQYIY-UYRXBGFRSA-N 388.448 4.518 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)SC1=S 15011411 INOGZLLCAAGPMX-MHWRWJLKSA-N 386.454 4.550 30 40 GJEB CN1/C(=C\C(=O)COC(=O)c2cccc3ccccc23)C(C)(C)c2ccccc21 18059582 HYCQESBGCFJUMX-HAHDFKILSA-N 385.463 4.877 30 40 GJEB N#Cc1c(NC(=O)c2ccc(F)cc2)sc2c1CCN(Cc1ccccc1)C2 19942222 GXZMDOKYDAFTGW-UHFFFAOYSA-N 391.471 4.569 30 40 GJEB FC(F)[C@@H](O[C@H](C(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 100503210 WFQCEBZFZTUXHG-JCYAYHJZSA-N 382.091 4.666 30 40 GJEB CCCCCCCCn1nnnc1/N=N/c1nnnn1CCCCCCCC 100535085 RBUWARQKDGZZRL-FMQUCBEESA-N 390.540 4.796 30 40 GJEB COc1ccc(/C=C/C(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 100641186 RCMQRGULIXZHIX-DTQAZKPQSA-N 397.430 4.601 30 40 GJEB COc1c(C(=O)Nc2ccccc2C#N)cc2ccccc2c1Br 408623899 UXWZMCYWSKMTPU-UHFFFAOYSA-N 381.229 4.735 30 40 GJEB Cc1ccc(-n2cccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 408965288 JYPKKPYUJJXRKL-CPNJWEJPSA-N 377.444 4.816 30 40 GJEB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCC#N)cc1)N2 409154680 OCWFWPVWWMHIHI-JXXFODFXSA-N 394.858 4.855 30 40 GJEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(C)C)cc3)S2)cc1 5461956 LQIIFMZOFQITAG-XDHOZWIPSA-N 382.485 4.622 30 40 GJEB C[C@@H]1CN(C(=S)NCCc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 6084385 WXXQXDMLDNPZES-CINSFREOSA-N 389.977 4.882 30 40 GJEB CC(=O)c1cc(C#N)c(SCc2cc(Cl)c3c(c2)OCCCO3)nc1C 19297233 KCQSWRWSVIRZHZ-UHFFFAOYSA-N 388.876 4.571 30 40 GJEB CCc1cc(=O)c2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc2[nH]1 95465061 FAVSLULCIZEYSK-UHFFFAOYSA-N 393.446 4.881 30 40 GJEB COC(=O)/C(=C/Nc1ccc(F)cc1)C(=O)c1cc(F)c(Cl)cc1Cl 100034740 ITTYJZXFEJHLTL-XYOKQWHBSA-N 386.181 4.623 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@H](c2ccccc2)/C1=C(O)/C=C/c1ccccc1 102882359 CBOKZQFFLNPCNE-IZMOXPQPSA-N 381.431 4.869 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N 225685602 WVONOKNGNAWOLI-UHFFFAOYSA-N 382.847 4.587 30 40 GJEB Cc1ccc(CNc2oc(COc3ccc(Br)cc3)nc2C#N)cc1 730251 SNGSDTVRXNFGFL-UHFFFAOYSA-N 398.260 4.808 30 40 GJEB CCS/C(=N\c1[nH]cnc1C(=O)Nc1ccc(C)cc1)Nc1ccccc1 4817760 VOSFDFYKFWMYJX-UHFFFAOYSA-N 379.489 4.823 30 40 GJEB Oc1c(Br)cc(Br)cc1/C=N/c1ccc2[nH]ncc2c1 13126099 PVDFUUOBJHKMRT-UBKPWBPPSA-N 395.054 4.544 30 40 GJEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCC(C)CC3)c2C#N)C1 14193636 VNMMUWCWVGAJQQ-INIZCTEOSA-N 387.593 4.831 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(Cl)c(Cl)c1 18195590 ITELXUUCYPJUAF-ZDUSSCGKSA-N 378.259 4.623 30 40 GJEB COc1ccc(N2C(=O)C[C@H](c3ccccc3OCc3ccccc3)[C@H]2C#N)cc1 26896076 WTUUSLZLVMUXCU-DHIUTWEWSA-N 398.462 4.687 30 40 GJEB Cc1ccc(C)c(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1 59109372 VYHQIPCCTBVUCH-UHFFFAOYSA-N 382.261 4.531 30 40 GJEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c1 101649848 IARMSOGSZUKKKE-CWJYSFMFSA-N 395.528 4.510 30 40 GJEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650671 HAMXMUSTXPVUGF-CWJYSFMFSA-N 395.528 4.709 30 40 GJEB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(Sc2ccc(C#N)cn2)nnc1-c1ccco1 105714531 LVDNYGLKTYQJQP-OHFALNGGSA-N 391.500 4.953 30 40 GJEB COc1ccc([C@@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CCC3)c(OC)c1 4944900 PTDDCHNMZCFBRC-IBGZPJMESA-N 391.467 4.540 30 40 GJEB C=C(C)COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O 8991254 ONWBUOWKPQAEBQ-GXHLCREISA-N 384.815 4.778 30 40 GJEB O=C(/C=C1\Nc2ccccc2C(=O)N1c1ccc(Cl)cc1)c1ccncc1 16957314 KNVQJENRGUMVCF-DEDYPNTBSA-N 375.815 4.532 30 40 GJEB CCCCCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21 18060748 GLECKXLSUGMWTP-UHFFFAOYSA-N 393.487 4.715 30 40 GJEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC 20196189 JTUZBBVEFUENNW-AFUMVMLFSA-N 397.906 4.888 30 40 GJEB Cc1cc2cc(C#N)c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2cc1C 34791547 XVMGJDGBFBFBFN-UHFFFAOYSA-N 390.512 4.520 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3ccc(C)cc3)c(C#N)cc2c1 35289105 BARCAQJXSBEHDZ-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB COc1ccc(C2=C(Nc3ccc(OC)cc3OC)c3ccccc3C2=O)cc1 101093014 BSJNZMLMDIBSNP-UHFFFAOYSA-N 387.435 4.889 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(Cl)c(Cl)c3)S2)cc1 408963607 CSTNMINXVHRUTL-OQLLNIDSSA-N 379.268 4.894 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)c(OCC)c2)SC1=S 409350678 RZWQTSWTTJTRIB-IGWPVBGESA-N 377.531 4.650 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(F)cc1 4182009 LSGZDZKSWMKQJQ-HJOGWXRNSA-N 395.474 4.533 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccccc1)n1nc(SCc3ccccc3)nc1N2 4777006 JJKQWMTXQDNGPM-FQEVSTJZSA-N 388.496 4.592 30 40 GJEB CCOC(=O)C/C(=N\Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])c1ccccc1 16682242 VBJLHAYARSXOID-XSFVSMFZSA-N 396.230 4.671 30 40 GJEB COc1ccc(-c2nc(CC(=O)Nc3sc(C)c(C)c3C#N)cs2)cc1 32784600 FQACRJGUTZWXRC-UHFFFAOYSA-N 383.498 4.550 30 40 GJEB Cc1cccc(/N=C2\C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)c1 104271000 NTIUJZQTHBDPNP-GFMRDNFCSA-N 380.407 4.593 30 40 GJEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 118917605 LTIHRQTXIOHGBO-GMPYDJSGSA-N 376.541 4.687 30 40 GJEB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)C1=O 253508557 WEMMMOPGBRUKBZ-KBMOJWKMSA-N 392.543 4.823 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)S2)cc1 408762981 CYDRWLBTCWZEMI-YBEGLDIGSA-N 387.848 4.702 30 40 GJEB Cc1ccc(C)c(/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 408853039 KTBBTIXFKQFROR-MSXFZWOLSA-N 390.439 4.858 30 40 GJEB COc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)c1O 826927 HXVBXXZOVKVLSN-AWQFTUOYSA-N 391.290 4.726 30 40 GJEB O=C1/C(=C/c2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC1 2196051 AASPCRGBKBRQON-ZDLGFXPLSA-N 390.266 4.911 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 3256814 RLQQSYOJPAQPBT-UHFFFAOYSA-N 390.420 4.975 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(CC)cc1 4919242 IOLZPMSLGGJZPA-GGAORHGYSA-N 378.468 4.577 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N\c3ccc(N(CC)CC)cc3)NC2=O)cc1 5520071 LCZHCCWJJQWVJO-HKWRFOASSA-N 395.528 4.823 30 40 GJEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 7777601 SAVMUBDJNITOCS-OAHLLOKOSA-N 393.874 4.931 30 40 GJEB N#CCCn1cc(-c2ccccc2)nc1Nc1ccccc1NC(=O)C(F)(F)F 27753508 LEHCZUJPKQONDY-UHFFFAOYSA-N 399.376 4.708 30 40 GJEB Cc1nn(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(C)c1Br 39315304 FXITZSHEWGBBQA-UHFFFAOYSA-N 391.084 4.827 30 40 GJEB CCCOc1ccc(C2=NOC(=O)/C2=C\c2cccc(Br)c2)cc1 101662474 GUJXAYOGNJMSDQ-ATVHPVEESA-N 386.245 4.582 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OCC)c1OCCC 409080766 MRZKYKFMAKFOGA-HKWRFOASSA-N 391.467 4.947 30 40 GJEB N#CCn1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c2ccccc21 409377606 IREHQVDLOAZMBO-ZDLGFXPLSA-N 392.871 4.710 30 40 GJEB Cc1ccc(C(=O)COC(=O)c2cccc(Oc3ccc(C#N)c(C#N)c3)c2)cc1 990863 VEZPJNQDPLTOKT-UHFFFAOYSA-N 396.402 4.570 30 40 GJEB CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)sc2c1 4273207 SCUDIPJGDUMXDO-UHFFFAOYSA-N 398.491 4.972 30 40 GJEB Oc1ccc(/C=N/Nc2nc(-c3ccccc3Cl)nc3ccccc23)c(O)c1 4828715 LXLJEJZHQAYOKY-FSJBWODESA-N 390.830 4.807 30 40 GJEB Cc1cc(C)c(C#N)c(SC/C=C/CSc2nc(C)cc(C)c2C#N)n1 4891972 YAKSCZTYWKTZRV-AATRIKPKSA-N 380.542 4.894 30 40 GJEB CCOC(=O)c1sc(N)c(C#N)c1CSc1c(Cl)cccc1Cl 5038131 YWLPXTZNTSRRBR-UHFFFAOYSA-N 387.313 4.978 30 40 GJEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O 5085355 IXZMSCFYBRJETR-SOXUWCDVSA-N 395.528 4.556 30 40 GJEB Cc1ccc(C(C)C)c(OCc2n[n+](CC(=O)C(C)(C)C)c3n2CCCCC3)c1 6501698 GGOVXEZDTVPHCM-UHFFFAOYSA-N 398.571 4.523 30 40 GJEB Cc1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2CC(C)C)cc1 9699193 DIAGQYRFXHFEAM-UHFFFAOYSA-N 390.512 4.756 30 40 GJEB COc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)n2)cc1 18106697 NOBVSPRCRVZIKI-UHFFFAOYSA-N 380.245 4.641 30 40 GJEB CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2ccccc2c1C#N 32581186 VVMRODRNXGKEBZ-CWRNSKLLSA-N 382.485 4.636 30 40 GJEB CC[C@H](C)Oc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC 33624708 KCCZZFBZJUWHMP-OEKFUPINSA-N 377.828 4.880 30 40 GJEB COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 408629013 HWFKHTQGCALVGM-CQSZACIVSA-N 398.528 4.797 30 40 GJEB CC1=NOC(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408943430 SEVOSEMPUHIDNV-XDHOZWIPSA-N 388.379 4.643 30 40 GJEB O=C(c1c(F)cc(Br)cc1F)C(F)(F)C(F)(F)C(F)(F)F 575362436 LMBZVQJURVPQDX-UHFFFAOYSA-N 389.011 4.743 30 40 GJEB CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2cccc3ccccc23)C1=O 2353434 NHTDBNAGOIIKID-HTIXJGPSSA-N 377.469 4.677 30 40 GJEB N#Cc1c(N)n(CCc2ccc(Cl)cc2Cl)c2nc3ccccc3nc12 2646216 FLPYUFVYVYUQKU-UHFFFAOYSA-N 382.254 4.588 30 40 GJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2C[C@H](C)C[C@@H](C)C2)C1=O 9476765 HJDUMLWRGSDYTN-KLAYFECZSA-N 383.513 4.856 30 40 GJEB biogenic O=C(/C(=N/N=C/c1ccc(OC(F)F)cc1)c1ccccc1)c1ccccc1 12566310 QVGXHBVTZWUBKC-CZAQHAADSA-N 378.378 4.994 30 40 GJEB Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2cccc3ccccc23)c(C)c1 33351812 CQPDCHGYAWYHFV-NFRIGNNNSA-N 387.508 4.922 30 40 GJEB OC(C#CCN1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1 55236242 VFORLDQRPVZGNE-RUZDIDTESA-N 382.507 4.548 30 40 GJEB biogenic Cc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1[N+](=O)[O-] 408850240 JBPHAYYSULFOIC-ZDLGFXPLSA-N 378.226 4.610 30 40 GJEB CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1cc(C)ccc1C 408913320 SUFFDSOWDNNFOH-OESWBVNESA-N 380.469 4.656 30 40 GJEB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846826 FFEDBGCLGPHNIL-RKYRPXKFSA-N 390.564 4.998 30 40 GJEB biogenic C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccc(Cl)c1 5478044 YKUYIAKWHZRAQF-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB CCOc1c(Br)cc(/C=C/C(=O)c2ccc(OC)cc2)cc1OC 6340161 MTAZSJCBSBPSCN-BJMVGYQFSA-N 391.261 4.761 30 40 GJEB CC(C)(C)c1ccc(-c2nnc(S)n2N=Cc2c[nH]c3ccccc23)cc1 245241612 KVZCWDKLPRJXQE-UHFFFAOYSA-N 375.501 4.895 30 40 GJEB CC(C)N1c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C 260567631 MCCRUAOCBWBFFT-LJGKHRNASA-N 381.480 4.936 30 40 GJEB N#Cc1c(/N=C/c2ccc(I)cc2)sc2c1CCCC2 408743040 YWILFPVBWCCIHF-VXLYETTFSA-N 392.265 4.854 30 40 GJEB COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OC(C)C 408896266 JYOQAESZOZTLOU-UHFFFAOYSA-N 395.499 4.526 30 40 GJEB Cc1ccc(N=C2NCCCCCOc3ccccc3Oc3ncccc32)cn1 643571695 PPJUXALQGGYMJF-UHFFFAOYSA-N 388.471 4.808 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C#N)C1 1959644 SEUNRNKCKFADNI-VIFPVBQESA-N 375.837 4.558 30 40 GJEB O=C(NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F)c1ccccc1 2345295 DRKBJGGEVPYVGZ-UHFFFAOYSA-N 398.253 4.628 30 40 GJEB Cc1ccc2nc(C(Cl)(Cl)Cl)nc(N/N=C/c3ccncc3)c2c1 5445309 KCLYSTLOSLKTMX-ZVBGSRNCSA-N 380.666 4.606 30 40 GJEB CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1 5614551 LRMKCXIYPNGWLC-DJKKODMXSA-N 381.657 4.907 30 40 GJEB Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(C)nn3-c2ccc(F)cc2)o1 5751332 GXOHTWNJGQZCMV-OAQYLSRUSA-N 377.419 4.786 30 40 GJEB Cc1csc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 8186635 CVYSAJZWAXMFLX-LLVKDONJSA-N 377.560 4.773 30 40 GJEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1 8468864 RFKMIRPEJYFTGD-HXUWFJFHSA-N 385.463 4.633 30 40 GJEB CN(C)[C@H](CNc1oc(Cc2cccc3ccccc23)nc1C#N)c1ccco1 8915852 BIYPSQYYTKAKDP-HXUWFJFHSA-N 386.455 4.598 30 40 GJEB COc1ccc(Cl)cc1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101471284 MJDAKPWIPVRWKC-UHFFFAOYSA-N 388.613 5.000 30 40 GJEB CCn1ccc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)n1 118916034 CWICEVOQFOQFIA-PCBMRDPFSA-N 396.575 4.869 30 40 GJEB CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc21 198144876 AGNFDRCYEPJXIC-KOEQRZSOSA-N 375.516 4.906 30 40 GJEB N#Cc1c(NC(=O)CN2CCCCC2)oc(-c2ccccc2)c1-c1ccccc1 408527504 OLMLVMWJEODFFQ-UHFFFAOYSA-N 385.467 4.910 30 40 GJEB Oc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn23)cc1 408721572 UKBBPOAQDPCFPV-KEBDBYFISA-N 382.217 4.813 30 40 GJEB CCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408907605 BTXOMVZEPSHORR-BIXZQSIESA-N 381.457 4.917 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCCC 409085382 OHXKHCMFKRPZJB-RGEXLXHISA-N 377.440 4.557 30 40 GJEB Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c(C)n1-c1ccccn1 409232384 ONTUIQSOINRJFN-NSMWAFFQSA-N 388.496 4.723 30 40 GJEB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/Nc1ccc([N+](=O)[O-])cc1 4416762 WTQONOJPUHWRTK-GLAYHYRKSA-N 387.395 4.660 30 40 GJEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2nc3cc(Cl)ccc3o2)c1 5005176 HSRXJTRINJPFLW-UBKPWBPPSA-N 396.584 4.608 30 40 GJEB O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1Cl)c1ccccc1 5448625 DNNBHIKGRGWOFD-IBGZPJMESA-N 390.826 4.518 30 40 GJEB CCN(CC)c1ccc2cc(C(=O)/C=C/c3cccc(OC)c3)c(=O)oc2c1 7039553 NGZBOOXTTZWDGK-FMIVXFBMSA-N 377.440 4.544 30 40 GJEB N#CCc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 29762043 VBHLNQWLVKIHQR-UHFFFAOYSA-N 395.256 4.686 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 34791506 PMSZYCXEKDNOEK-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2cc(OC)ccc2OC)C(=O)N1C 38361085 BHDPCPYDYKVPGM-NFYBBCHUSA-N 382.485 4.500 30 40 GJEB C=CCc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc(OCC)c1O 96483450 KQEIHMFOZJFFFD-UYRXBGFRSA-N 394.496 4.719 30 40 GJEB C=CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 101324147 TZGVODVTKKPDBL-QGZVFWFLSA-N 382.489 4.569 30 40 GJEB CC1(C)C=C(O)[C@@H]([C@@H](C#Cc2ccccc2)C2=C(O)CC(C)(C)CC2=O)C(=O)C1 102473393 IGTTWKKYQJDBTO-VGOFRKELSA-N 392.495 4.913 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cn(C)nc3C)C[C@H]12 105544329 GMZISXRHSBJUQJ-ITJCBAEGSA-N 390.527 4.856 30 40 GJEB Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1 408850489 AVUCUVNBRGAJBR-FMCGGJTJSA-N 382.847 4.962 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)cs3)S2)cc1 408965347 KMHDWYXSHZODKQ-NTUHNPAUSA-N 379.304 4.711 30 40 GJEB C=CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 409111201 AUUAWSQQDOTIIM-CIAFOILYSA-N 399.475 4.784 30 40 GJEB C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@@H]3[C@H](C=NNc3ccccc3)[C@H]1C[C@H]42 575150278 YOIXAKPYNYEUBR-UOBPJKFWSA-N 399.562 4.631 30 40 GJEB biogenic,in-vitro C=CCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc21 5618843 CJYMJKUQTNMQGF-UHFFFAOYSA-N 393.299 4.655 30 40 GJEB Cc1ccccc1N1C(=S)N/C(=N\c2ccccc2)[C@@]12CCOC(C)(C)C2 5901403 ZLSPCFGSFYVJMX-QFIPXVFZSA-N 379.529 4.748 30 40 GJEB COC(=O)c1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3o2)cc1 7007408 PMPOCSGNUBPHKD-XBXARRHUSA-N 385.213 4.878 30 40 GJEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCC)[C@@H]2c2ccccc2)cc1 16741468 VYQIRXRWLJVZFB-OAQYLSRUSA-N 391.467 4.630 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1c(C)cccc1C 408907881 PUJHGSMPXYJGIR-GDBHHJMHSA-N 391.496 4.830 30 40 GJEB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/Nc1cccc2ccccc12 408999019 REBPDEDXBKYFSX-OEAKJJBVSA-N 385.427 4.997 30 40 GJEB N#Cc1nc(-c2cccc3ccccc23)oc1N1CCN(c2ccccc2)CC1 2420825 YCZPBUXEMJVYTD-UHFFFAOYSA-N 380.451 4.693 30 40 GJEB CC(C)N1CCc2c(sc(NC(=O)Cc3cccc4ccccc34)c2C#N)C1 4086990 RFIOPEQEHLEKLU-UHFFFAOYSA-N 389.524 4.721 30 40 GJEB COc1ccc(/C=C\C2=CC(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC 4771301 WAPXWPLZLDBYAE-VOFKWLDRSA-N 394.467 4.807 30 40 GJEB N#Cc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 5047245 GLEICFFZXDARNG-UHFFFAOYSA-N 378.482 4.812 30 40 GJEB Cc1cc(C)c(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c(C)c1 16972364 SUILMWKLFXVSJC-UHFFFAOYSA-O 394.926 4.606 30 40 GJEB O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc21 33740695 SUSWKUFJZGZUAX-PCLIKHOPSA-N 399.450 4.632 30 40 GJEB CCCCCCCCN1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 70687984 MPASIHQVJKBILT-QHCPKHFHSA-N 397.519 4.573 30 40 GJEB biogenic CN(C)c1ccc(/C=N\CCCCCC/N=C/c2ccc(N(C)C)cc2)cc1 102891535 TZTVWMFSHHFTPL-GAHATOAQSA-N 378.564 4.917 30 40 GJEB CCCCCCCCCCCCCCCON1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 104132323 VXJMRTBXUCTOBF-WOZUAGRISA-N 391.552 4.948 30 40 GJEB Cc1cc(C(=O)O)ccc1/N=C/c1cc(Br)c(Br)o1 408950019 DCRDYRFDFXVTAA-OMCISZLKSA-N 387.027 4.562 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2\C(=O)N(CCC)c3ccccc32)cc1OC 409113784 FNBKBMALPMKPBQ-ATVHPVEESA-N 381.859 4.658 30 40 GJEB Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 3067896 ZNLOIHFBTDLSAE-FOKLQQMPSA-N 384.785 4.652 30 40 GJEB C=C(C)Cn1c(SCC(=O)c2ccccc2)nc2sc(CC)cc2c1=O 3231291 HIIOHTOTRROOSW-UHFFFAOYSA-N 384.526 4.572 30 40 GJEB C#CCSc1nc2ccc(OCC)cc2n1C(=O)/C=C/c1ccc(OC)cc1 4114898 GOYUBUXVVPPILZ-MDWZMJQESA-N 392.480 4.523 30 40 GJEB Clc1cc(Cl)c(N/N=C/c2ccc(N3CCOCC3)cc2)c(Cl)c1 5691429 SQMAHMUVZNCBKY-SRZZPIQSSA-N 384.694 4.929 30 40 GJEB N#Cc1c(-c2ccc(Cl)cc2)nc(SCCCOc2ccccc2)[nH]c1=O 31773906 BPEKWGATGFXNOY-UHFFFAOYSA-N 397.887 4.523 30 40 GJEB C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)c(Cl)c2)c1 216899184 QUUBOHHQJUFGPO-RMKNXTFCSA-N 391.250 4.771 30 40 GJEB N#Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 225907064 RQYMLKBIDHRLNZ-MRXNPFEDSA-N 388.298 4.716 30 40 GJEB Cc1ccc(/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1Cl 408804421 FUHVNSHDXNQHJE-FMCGGJTJSA-N 382.847 4.687 30 40 GJEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccc2OCC)C1=O 408995813 DYXWVPAHCKZYAQ-JXAWBTAJSA-N 395.480 4.629 30 40 GJEB Cc1ccc(COc2ccc(/C=N\OCC(=O)Nc3ccc(C)cc3)cc2)cc1 409377440 HYZUQNTYXVAMDT-MYYYXRDXSA-N 388.467 4.872 30 40 GJEB CC(=O)O[C@@H]1C[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C(C)=O 409421757 YWCAMUNPTULUPQ-LITMIZRFSA-N 386.532 4.511 30 40 GJEB COc1ccccc1COc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C#N)c1C 596810434 UNYDRUDPNZIZDW-PXNSSMCTSA-N 393.487 4.787 30 40 GJEB Cc1ccc2nc(Cl)c(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)cc2c1 1197873 NUZVVIZTBKCDMN-ZMOGYAJESA-N 390.874 4.745 30 40 GJEB N#CCSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 6111721 KVTXZJZDEYWZQP-UHFFFAOYSA-N 375.478 4.730 30 40 GJEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)c1 6263829 DMFXSRABNZTWMN-KEBDBYFISA-N 375.812 4.751 30 40 GJEB C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1C1CCCCC1 6839562 GODBTDFCJBGLSY-UHFFFAOYSA-N 380.517 4.968 30 40 GJEB Cc1nnc(C)n1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 23873389 VRPHLEBCGMYTHO-NUGSKGIGSA-N 395.816 4.857 30 40 GJEB COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2cccs2)cs1 40128940 WKHJQXDBXZQHBN-UHFFFAOYSA-N 399.497 4.550 30 40 GJEB COc1ccc(C(=O)Nc2cccc(/C=C3\CCc4cc(O)ccc4C3=O)c2)cc1 58411889 XKDMHPIQZQQSAF-CPNJWEJPSA-N 399.446 4.866 30 40 GJEB CCCCCCCCCCN(CCOCCO)C(=S)Nc1ccccc1 100934497 HRKJUQXCOGYIGI-UHFFFAOYSA-N 380.598 4.835 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222919409 WENQSLOGWCUQTD-NRFANRHFSA-N 394.515 4.696 30 40 GJEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 409072510 CJRZZLYHWXRBDE-WYMPLXKRSA-N 389.390 4.578 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/[C@H](c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1 5104739 ADTARSVEFZEDHH-YDDPGSGASA-N 382.401 4.794 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(OC)c1 9328197 LLJTZFKZRQITGH-UHFFFAOYSA-N 399.903 4.768 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c(c3ccccc3oc1=O)O2 9926826 TZKFTYAMOFSCLF-GOSISDBHSA-N 378.811 4.978 30 40 GJEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118812 LJDCJUQNHDPTFR-WSDLNYQXSA-N 385.807 4.641 30 40 GJEB Cc1cc(C)cc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 38654381 LUFBADAPXLZSPF-UHFFFAOYSA-N 384.483 4.578 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccnc1 5520119 LGRJZMHRPQXXBQ-MLPAPPSSSA-N 383.782 4.645 30 40 GJEB CC[C@]1(C)NC(=O)N(/N=C/c2c3ccccc3c(Cl)c3ccccc23)C1=O 6168596 DCXDYLZVNLJGNP-IIHIVLJSSA-N 379.847 4.701 30 40 GJEB N#Cc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 8076273 JOMRZSYBVGBCFW-UHFFFAOYSA-N 384.464 4.784 30 40 GJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 13635140 BTSGPYXFMVTZAH-FQEVSTJZSA-N 391.496 4.776 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC1=S 20160852 IXNGXIIHRQSACE-LDADJPATSA-N 385.485 4.792 30 40 GJEB O=C(/N=C1\N=C/C(=N/Nc2cccc(C(F)(F)F)c2)S1)c1ccccc1F 102941216 DOZAEPVPVOQXPP-RZTPADQCSA-N 394.353 4.584 30 40 GJEB Cc1c(/C=C2\C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cnn1C 253508534 SGZGWFBJNFOJSO-URPAJYLOSA-N 392.543 4.823 30 40 GJEB COc1ccc(NC(=O)[C@@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)cc1 883041 PPJDQVJTGGAMKL-MRXNPFEDSA-N 379.847 4.526 30 40 GJEB N#CCn1c(CSc2cc(Cl)ccc2Cl)nc2ccccc2c1=O 3368652 UZYPUAATSUOWPA-UHFFFAOYSA-N 376.268 4.519 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/N=c2/[nH]c(-c3ccc(Cl)c(Cl)c3)cs2)c1 4175828 ZDMWWUHLKFMMJP-UFWORHAWSA-N 393.255 4.893 30 40 GJEB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OC/C(O)=N/C(C)C)ccc12 5351957 DTYWHHJZOBIYFJ-UHFFFAOYSA-N 379.456 4.744 30 40 GJEB C=CCNc1nnc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)s1 7985877 ORQIBBYRSNKXEC-UHFFFAOYSA-N 379.510 4.682 30 40 GJEB COc1ccc(/C=C/C(=O)c2ccc(OC)c3ccccc23)c(OC)c1OC 12551848 UBAKNMHVJPKWFQ-FMIVXFBMSA-N 378.424 4.770 30 40 GJEB Cc1ccccc1C1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(C)C)cc1 16362817 YOFVMYYTYIRRIQ-BZZOAKBMSA-N 382.467 4.585 30 40 GJEB COc1ccc(C(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1OC 34791472 MHLNRJJIQGQYND-UHFFFAOYSA-N 392.480 4.716 30 40 GJEB COc1ccc(C)cc1-n1c(C)cc(/C=N/NC(=S)Nc2ccccc2)c1C 217039623 NQZHFZUDBVDGOA-OEAKJJBVSA-N 392.528 4.732 30 40 GJEB Cc1ccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4O)cc3O)nc2c1 3162520 LHUSXGDGPYISRL-SSDVNMTOSA-N 389.367 4.873 30 40 GJEB CC1(C)Cc2c(sc(NC(=O)c3nc4ccccc4s3)c2C#N)C(C)(C)N1 4275309 IHJLHXXWYXKUDA-UHFFFAOYSA-N 396.541 4.641 30 40 GJEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 5520023 PQMCSCJDAADJIZ-WJDWOHSUSA-N 391.418 4.663 30 40 GJEB Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 6813231 HWAJTHVIOJBZGH-IBGZPJMESA-N 390.464 4.543 30 40 GJEB Cc1c2ccccc2c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc12 408723554 ZSZZNNUUFLVZED-SNWYJPBNSA-N 394.474 4.833 30 40 GJEB CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1CC 408930501 XVNUKMJOIAFKQZ-TZIVZOBOSA-N 384.476 4.717 30 40 GJEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1c[nH]c2ccccc12 1447396 RZLAHKGXKLDVKF-CXUHLZMHSA-N 398.285 4.822 30 40 GJEB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc2ccccc12 4048002 ORBUKTPGBJUSAT-ZMOGYAJESA-N 385.427 4.997 30 40 GJEB Oc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1 4535007 SOIMNOLSNZZADW-BUVRLJJBSA-N 382.423 4.668 30 40 GJEB S=C(N/N=C\c1ccc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 35177444 ZNBIOOGTFNFNQR-FBHDLOMBSA-N 382.360 4.760 30 40 GJEB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)C(=O)/C(=C/c3cnn(C)c3C)C[C@H]12 36005112 FNMQPGMXOHYDGL-QIQYBHCCSA-N 390.527 4.856 30 40 GJEB C=C(Br)CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 58368420 HURAFVGDNAZMEJ-UHFFFAOYSA-N 389.274 4.709 30 40 GJEB O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)cc1Cl 89780973 LNETWNSKBXYJNY-FPYGCLRLSA-N 393.817 4.674 30 40 GJEB Cn1c(C/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)nc2ccccc21 96839660 DOJWGIBDOYUFNV-QQTULTPQSA-N 385.427 4.540 30 40 GJEB Cc1ccc2nc(N/N=C/C3=C[C@H]4C=CC=C[C@@H]4N3)nc(-c3ccccc3)c2c1 102149929 ZQRJEROSEGFKLN-YZFOJRJHSA-N 379.467 4.601 30 40 GJEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1 5218497 LQEAKBPKRPVMMJ-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB COc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c([N+](=O)[O-])c1 8811461 MAAMRQVVZJYGSA-WSDLNYQXSA-N 385.807 4.641 30 40 GJEB N#Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1Cl 10514810 CYGXXFLNIIQGII-UHFFFAOYSA-N 395.189 4.685 30 40 GJEB Cn1c(SCc2ccc(-c3ccccc3C#N)cc2)nnc1-c1cccnc1 12874157 HWWWEAFATFAGNB-UHFFFAOYSA-N 383.480 4.708 30 40 GJEB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1Br 13018854 QOUYTZYNRVMSQJ-UHFFFAOYSA-N 393.668 4.770 30 40 GJEB COc1cc(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc(OC)c1OC 16195293 NYROLFVNMZTIOF-UHFFFAOYSA-N 378.453 4.976 30 40 GJEB COc1ccc(C(=O)/C(=C/Nc2ccccc2Cl)C(=O)C(F)(F)F)cc1 100862321 WNKXLOGRTOYJJI-RAXLEYEMSA-N 383.753 4.659 30 40 GJEB N#Cc1c(OCc2ccc(Cl)cc2)nn(Cc2cccc3ccccc23)c1N 225849033 YCVDJNALIUGFLF-UHFFFAOYSA-N 388.858 4.771 30 40 GJEB CCOC(=O)c1cccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575243142 MHKVCMOTXMZOIW-UHFFFAOYSA-N 396.205 4.514 30 40 GJEB CC1(C)OB(c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)OC1(C)C 642814311 DZFNGYWYOQKIBD-UHFFFAOYSA-N 379.092 4.872 30 40 GJEB COc1ccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)O)c2C#N)cc1 873359 DGGYASFKJKXFGZ-CQSZACIVSA-N 390.464 4.861 30 40 GJEB CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 937271 JEYCKUZMIHXEKX-CXAGYDPISA-N 395.528 4.533 30 40 GJEB O=C1/C(=C/c2c[nH]c3ccccc23)Oc2c1ccc(O)c2CN1CCCCCC1 2325006 IARYZBOIUVHJGF-XKZIYDEJSA-N 388.467 4.866 30 40 GJEB in-vitro CCCCCCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 2336069 OINFCZFVKFXWTN-UHFFFAOYSA-N 382.508 4.950 30 40 GJEB Cc1c(C(=O)OCC(=O)Nc2sccc2C#N)oc2c1ccc1ccccc12 3433412 OWXNLXPGNGBORL-UHFFFAOYSA-N 390.420 4.623 30 40 GJEB Cc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2O)o1 4808366 ZCWFZYQIQZSECP-ONEGZZNKSA-N 386.039 4.715 30 40 GJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1cc2c(cc1Cl)OCO2 5636916 XOVMTTINNNHDSL-UUASQNMZSA-N 393.251 4.614 30 40 GJEB COc1ccc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3o2)cc1OC 8991378 VEYPCCTVMZJFOO-VKAVYKQESA-N 386.407 4.664 30 40 GJEB Cc1nc(SC[C@H]2CC2(Cl)Cl)c(C#N)cc1C(=O)Nc1ccccc1 14853297 CPFHAUDJCAMSMZ-CYBMUJFWSA-N 392.311 4.800 30 40 GJEB C=CCN(Cc1csc(CC(=O)Nc2ccccc2C)n1)Cc1cccs1 72274736 XIJUKKJMQDKWJS-UHFFFAOYSA-N 397.569 4.882 30 40 GJEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(F)cc1 408589210 DHFIJPZRJSSQAG-VULFUBBASA-N 390.414 4.836 30 40 GJEB CCOc1cc(Cl)c(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OCC 409072023 UGFPJXUKOFTSMA-NUGSKGIGSA-N 387.789 4.997 30 40 GJEB O=c1[nH]c2ccc(/N=C/c3cc(Cc4ccccc4Cl)ccc3O)cc2[nH]1 6528714 GULKSOARYYGATR-FSJBWODESA-N 377.831 4.557 30 40 GJEB Cc1c(C#N)c(NC(=O)CN2CCSc3ccccc32)n(C2CCCC2)c1C 12808153 NYBMUKINZUTJGL-UHFFFAOYSA-N 394.544 4.643 30 40 GJEB Cc1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(C(C)C)cc32)c(C)c1 223728723 CFCYQXVQMLSHHW-FLFQWRMESA-N 379.529 4.705 30 40 GJEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1 225776607 AUSJKFZMSHNUII-MRXNPFEDSA-N 396.462 4.562 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cccn1-c1ccccc1F 409099176 SJSMHYQIBFAYFX-FOKLQQMPSA-N 392.312 4.989 30 40 GJEB N#Cc1ccc(Nc2cccc([C@@H]3CCCN3Cc3cc4ccccc4[nH]3)n2)cn1 585295417 YQRBDVKJMDNUCM-QHCPKHFHSA-N 394.482 4.910 30 40 GJEB Cc1ccc([S@](=O)c2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1 1404340 IEJCMJACDFSCCG-HHHXNRCGSA-N 394.883 4.939 30 40 GJEB CCCCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(OC)cc1 4242096 PWVWKXOQBFPKIS-UHFFFAOYSA-N 378.501 4.918 30 40 GJEB C[C@H]1CCC[C@H](C)N1/N=C/c1cc(Br)c(O)c(Br)c1 5504671 FGDWJASBDSWETK-KTJBPSCZSA-N 390.119 4.514 30 40 GJEB Cc1c(Cl)cccc1N/N=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 5532583 FWMPEJHGUDUCQN-DAFNUICNSA-N 388.858 4.867 30 40 GJEB C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Cl)c3)ccc21 8958773 PUPHDEQGTMUKSL-UHFFFAOYSA-N 384.863 4.530 30 40 GJEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)cc1OC 12862126 NEAWGPIIWSHCSQ-QRVIBDJDSA-N 388.419 4.899 30 40 GJEB biogenic C=CCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)c(C)cc4c3C)cc21 32593375 AHLNWTLAMVJNOJ-UHFFFAOYSA-N 390.439 4.522 30 40 GJEB N#Cc1ccc(F)c(CSc2nc(-c3ccccc3Br)n[nH]2)c1 71886869 OAEIJTFRIBMJHK-UHFFFAOYSA-N 389.253 4.537 30 40 GJEB CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N/c1ccc(OC)cc1 97466897 FSMIYYKWAHGNHG-BBNBJWFKSA-N 388.876 4.678 30 40 GJEB C=CCOc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225691955 BQUAQXWXSGMRGU-GOSISDBHSA-N 395.572 4.974 30 40 GJEB Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(C(=O)O)cc1 409238365 XEXABDCGFJAUDG-MTJSOVHGSA-N 383.245 4.997 30 40 GJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2ccc([N+](=O)[O-])cc2)c1C 4712236 ITOGNZWAJLWSBK-WSDLNYQXSA-N 377.400 4.760 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(C)c1 5500842 JPCWPSZEURWEST-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)CC#N)cc3)cc2)cc1 6508793 GDEHVZMBVWMQFX-UHFFFAOYSA-N 385.423 4.892 30 40 GJEB C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1 9327635 UAOMTIYQDHNQQX-UHFFFAOYSA-N 399.863 4.720 30 40 GJEB Clc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1Cl 16771353 QAIIMHSMRAHPMJ-UUYOSTAYSA-N 382.722 4.799 30 40 GJEB N#CCOc1ccc(NC(=O)CCCCc2ccc(Br)cc2)cc1 40130679 YVGHSNOGLVFZRE-UHFFFAOYSA-N 387.277 4.703 30 40 GJEB Cc1[nH]nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1Cl 95707842 CNXPUJNLJOFGNG-UHFFFAOYSA-N 384.576 4.932 30 40 GJEB CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N/c1ccccc1 96610648 HIYICTPYTGWRDC-XKOOYEHJSA-N 388.876 4.678 30 40 GJEB O=C1/C(=N/Nc2ccc3ncsc3c2)C(c2ccccc2)=NN1c1ccccc1 102994531 YWVMTOPYAHBJFX-NJNXFGOHSA-N 397.463 4.515 30 40 GJEB CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(Cl)cc1 103712631 REAJNDHTFZOCSS-QGVLPLFYSA-N 379.268 4.933 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 106781861 OLUWKGYCVIGQOD-HKWRFOASSA-N 395.480 4.675 30 40 GJEB O=[N+]([O-])c1ccc(F)c(/C=N\Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 408733060 VLOPDGCDITUBAZ-WVHIBCRRSA-N 399.197 4.755 30 40 GJEB COc1ccc(C(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1OC 1354486 MXWVKQYDOLLPHN-UHFFFAOYSA-N 392.480 4.716 30 40 GJEB CCCC/N=C1\S/C(=C/c2ccc(Br)o2)C(=O)N1CCCC 5552207 VDEWXMAFIAUCLY-PQPLKPFKSA-N 385.327 4.915 30 40 GJEB COc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc(OC)c1OC 6793940 IEBGUUQVHUHQKW-UHFFFAOYSA-N 387.435 4.889 30 40 GJEB C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc(C)c(C)c2c1=O 27777455 HTGJXJXIBQHAJH-GFCCVEGCSA-N 390.534 4.621 30 40 GJEB Cc1ccc(N2C(=S)N(/N=C/c3ccccc3)C(=O)[C@H]2c2ccccc2)cc1 35681863 QUTWQCYPGPJMAZ-KCOUNZPASA-N 385.492 4.704 30 40 GJEB Cc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(C)c1OCc1ccccn1 36832217 YCIKYVUYCZENMN-SOFGYWHQSA-N 387.435 4.902 30 40 GJEB CCCc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 585295282 SSVCZXJRRWXOHU-JOCHJYFZSA-N 387.487 4.974 30 40 GJEB C=CCNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 1786843 VXYZZMNNVRZAPJ-UHFFFAOYSA-N 380.429 4.569 30 40 GJEB C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F 2616404 XIYNUCWPWZTXBN-UHFFFAOYSA-N 393.447 4.613 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1Cl 4189002 FHZZHPHDGIXIOR-ZQBYOIRZSA-N 396.874 4.571 30 40 GJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(Br)o3)S2)c1 5376722 NFMLNAXTOCFPTP-MDWZMJQESA-N 377.263 4.551 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)C1 5632482 CIHFRZYYAQTTOF-AWEZNQCLSA-N 397.569 4.898 30 40 GJEB COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccccc2OC)C3=O)c1 5932583 KVQRXNFUPAFWLW-QRVIBDJDSA-N 388.419 4.899 30 40 GJEB biogenic Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1CCc1ccc(F)cc1 6124410 ZLRXRKRZNDAJIS-UHFFFAOYSA-N 376.431 4.620 30 40 GJEB C=CCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccccc1OC 6610028 RAADIMIZPCACDA-SFHVURJKSA-N 390.512 4.675 30 40 GJEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 7670850 JAJGOLAUOIUTQS-UHFFFAOYSA-N 391.408 4.552 30 40 GJEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 8991980 HLFGPFDTCWQIMC-NHDPSOOVSA-N 380.440 4.757 30 40 GJEB N#Cc1ccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)cc1 9499511 HOFNZVZIUXUGGF-UHFFFAOYSA-N 383.476 4.592 30 40 GJEB Cc1sc2nc(-c3ccc(OCc4ccccc4C#N)cc3)[nH]c(=O)c2c1C 16265912 DAHVBNQAEPYAED-UHFFFAOYSA-N 387.464 4.719 30 40 GJEB C=CCO/N=C(/C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O 18033498 NUXWNNUAPDEWOZ-UQQQWYQISA-N 388.467 4.699 30 40 GJEB N#Cc1ccc(COCC2CCN(Cc3ccc(Br)cc3)CC2)cc1 77191693 WLHLDNPCPPPPMV-UHFFFAOYSA-N 399.332 4.750 30 40 GJEB CCOC(=O)c1c(C)oc2c1/C(=C/NCc1ccccc1)C(=O)c1ccccc1-2 100752553 APGJKTCAVVSQOG-RGEXLXHISA-N 387.435 4.759 30 40 GJEB C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N\c1ccc(/N=N/c2ccccc2)cc1 100840832 BXJXSDDSKGCEDO-CDDBZTBOSA-N 394.456 4.694 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 408594592 UEVASKKBKSAWOY-FSJBWODESA-N 389.333 4.955 30 40 GJEB COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(F)c1F 408629027 IMKZKGQFNRTWTC-ZETCQYMHSA-N 398.381 4.562 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(N4CCCCCC4)o3)S2)cc1 408965981 YHYJDRVKCFBDCZ-NBVRZTHBSA-N 381.501 4.860 30 40 GJEB N#C[C@@H](NC(=O)c1cc2ccc(F)cc2s1)c1cccc(Br)c1 604545486 GOMAHJWRXGMRJX-CQSZACIVSA-N 389.249 4.798 30 40 GJEB CC(C)Oc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531383209 CSDJEMBVDZPSEN-PCLIKHOPSA-N 383.451 4.733 30 40 GJEB Cc1nc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)sc1C 1354282 RSKIBNSYOYHGIZ-UHFFFAOYSA-N 382.514 4.527 30 40 GJEB CSc1nc2ccc3nc(NC(=O)c4ccc(C#N)cc4)sc3c2s1 4134755 JOQXHQTUSFKNFH-UHFFFAOYSA-N 382.495 4.752 30 40 GJEB C=CCO/N=C1\C[C@H](C[C@@H](C)SCC)CC(=O)[C@H]1/C(CCC)=N/OCC 5417210 WIZFOFCVSLIKJU-ARQMDSHJSA-N 382.570 4.865 30 40 GJEB C=CCOc1c(Br)cc(CNCc2ccc(C)cc2)cc1OC 7538254 WTCCCRCQZGIEMF-UHFFFAOYSA-N 376.294 4.621 30 40 GJEB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccccc2C#N)n1 14152816 JBOPYNISVHHENA-UHFFFAOYSA-N 394.887 4.708 30 40 GJEB N#Cc1c(NC(=O)c2cc3cc(Cl)ccc3oc2=N)sc2c1CCCC2 17078390 WCTVRPNYNSWZNW-UHFFFAOYSA-N 383.860 4.630 30 40 GJEB COc1cc(/C=N/NC(=S)Nc2ccc(C)cc2)ccc1OCCC(C)C 33045609 IQLQZQFCDLFIDH-HYARGMPZSA-N 385.533 4.749 30 40 GJEB N#C[C@H](C(=N\O)/C(=N\O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 102961643 SAYXXJMIMHHQDN-JSCKBJCWSA-N 387.226 4.568 30 40 GJEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCC(C)C 107658839 WQYURFXGVNTDLV-COTUQWOHSA-N 388.514 4.604 30 40 GJEB C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224610943 VFMPDFFTZGNEFW-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB CCOc1cc(/C=C2\CCC/C(=C(/O)C(F)(F)F)C2=O)cc(Cl)c1O 408563442 LZUKMEBKZQCAKZ-FAIWILQLSA-N 376.758 4.955 30 40 GJEB CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 3088126 LICMRRMABLJLSA-UHFFFAOYSA-N 382.460 4.936 30 40 GJEB COc1ccc2cc(/C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1 6581243 HKQJCTGGMPXQJW-UXBLZVDNSA-N 378.424 4.770 30 40 GJEB Cc1cc(C)n(-c2ccc(C(=O)N3CCCS/C3=N\c3ccccc3)cc2)n1 7158942 VYSDECOJLXBOGW-FCQUAONHSA-N 390.512 4.756 30 40 GJEB CCOc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1 9184054 QKOQNIXMFNTBSI-NDENLUEZSA-N 376.364 4.514 30 40 GJEB N#Cc1ccc(/C=N/n2c(-c3ccc(F)cc3)cs/c2=N\c2cccnc2)cc1 12564322 IIALCHBQHLXCMY-CJZUDJPQSA-N 399.454 4.737 30 40 GJEB CC(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccs2)cc1 18222373 CUZCIZKXDZNJEI-KKSFZXQISA-N 390.512 4.879 30 40 GJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Br)c2)cc1 40287063 JAEZHFBIOOOEMP-MRXNPFEDSA-N 393.244 4.630 30 40 GJEB CN(C)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)o1 408778278 CTFIPJYMSWAHOM-WQLSENKSSA-N 382.272 4.544 30 40 GJEB N#Cc1cccc(CN2CCC(N[C@@H]3CC4(CCC4)Oc4ccccc43)CC2)c1 593721171 KKVUJNBGSKQGBW-HSZRJFAPSA-N 387.527 4.559 30 40 GJEB COC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N 756925 JUMFKKHZLUPADK-UHFFFAOYSA-N 384.457 4.753 30 40 GJEB COC(=O)c1cccc(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1C 4742981 JZBFMZAOSBWKES-FSJBWODESA-N 377.396 4.799 30 40 GJEB C=CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1ccoc1C 6912451 VLQPRUAYRLPDLP-UHFFFAOYSA-N 396.516 4.761 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC 16196199 ZRRBBUJPNKYQQW-AQTBWJFISA-N 383.494 4.666 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1OC 102802318 LAVOCDLYJPUHBJ-JBCNATCCSA-N 393.483 4.697 30 40 GJEB Cc1cccc(OCc2nc(SCc3ccccc3Cl)nc(N)c2C#N)c1 223684985 QNSKMYYSPCJHSY-UHFFFAOYSA-N 396.903 4.764 30 40 GJEB O=S(=O)(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 408894503 IGJGILJALOEPNE-RGVLZGJSSA-N 395.267 4.566 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccc(C)cc1 408914425 NXLPIHOCYZTLBM-FOLIBTTPSA-N 380.469 4.738 30 40 GJEB C#CCN1C(=O)S/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 408917003 KOZZNYFBGOIRRV-FYJGNVAPSA-N 386.476 4.668 30 40 GJEB CN(C)c1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 4598234 HYIWYFNJHJLRMD-WEVVVXLNSA-N 398.256 4.518 30 40 GJEB C#CCOc1ccccc1/C=C1/S/C(=N\c2cc(C)ccc2C)N(CC)C1=O 4664490 ABCJWXKIABRFPH-NVZLDUMVSA-N 390.508 4.939 30 40 GJEB CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O 9531318 FRQDIJTWWBPVCF-ZDLGFXPLSA-N 386.831 4.677 30 40 GJEB CCN1C=C(C(=O)/C=C/c2ccc(Cl)cc2)[C@H](c2ccc(OC)cc2)NC1=O 12409903 LRPPUTKXAIUHLB-VGZTZGLTSA-N 396.874 4.601 30 40 GJEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3sccc3C#N)c2n1 12659684 VHDQQIXVWRVJFU-UHFFFAOYSA-N 392.267 4.801 30 40 GJEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 101315332 SFSJUPHOHNFSES-OPURJYLOSA-N 396.874 4.571 30 40 GJEB CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 409245269 QCCALBRDGAQLGA-KIOXBDSISA-N 382.485 4.718 30 40 GJEB O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1O 711933 ZTIJVYCHSXJDHZ-LSHDLFTRSA-N 394.774 4.908 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(N(CC)CC)cc1 4061035 QCEMVYNWWFXSDK-KNQAVFIVSA-N 397.540 4.914 30 40 GJEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 4066170 AXUWXLBLHRTQFP-NRFANRHFSA-N 379.500 4.582 30 40 GJEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccs1 225133451 CSCWDJGKAKTNNA-UHFFFAOYSA-N 385.510 4.708 30 40 GJEB N#CCc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225299133 GGNMRIOTKYXZIP-UHFFFAOYSA-N 375.950 4.626 30 40 GJEB N#Cc1c(OCc2cccc(Cl)c2)nn(Cc2cccc3ccccc23)c1N 225849009 ZZXGINQUNBXIGV-UHFFFAOYSA-N 388.858 4.771 30 40 GJEB COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(C)C 408592363 MGIGUTLYDWOANZ-KEBDBYFISA-N 378.812 4.595 30 40 GJEB O=C(NCc1ccco1)c1c(/N=C\c2cccc(O)c2)sc2c1CCCC2 408845340 MGLRYXHBTUJZIG-FMCGGJTJSA-N 380.469 4.606 30 40 GJEB C=CCOc1ccc(/C=C2/N=C(c3ccc(OCCCC)cc3)OC2=O)cc1 409003113 DMSHAXGQQUGUQC-LTGZKZEYSA-N 377.440 4.775 30 40 GJEB Fc1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1N1CCOCC1 409139143 MVNXFOYGTLZARF-SRZZPIQSSA-N 397.675 4.829 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)o1 1506545 IGXYTYGNNMQNEZ-SRZZPIQSSA-N 380.791 4.990 30 40 GJEB CCOc1cc(Br)cc(/C=N/c2sc(C)c(C)c2C#N)c1O 4150676 LRPVAVDSSHIEMW-UFWORHAWSA-N 379.279 4.854 30 40 GJEB CC1(C)Cc2c(sc(NC(=O)c3ccc(Cl)s3)c2C#N)C(C)(C)N1 4275313 FHWWYRSQWGKFRG-UHFFFAOYSA-N 379.938 4.746 30 40 GJEB C=CCn1c(SCc2ccccc2Br)nnc1-c1ccncc1 6908338 GRVDPUXRVAIYSM-UHFFFAOYSA-N 387.306 4.581 30 40 GJEB CC[S@@](=O)c1ccccc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 22416492 UMFFFPQEYXCVCD-NDEPHWFRSA-N 389.476 4.710 30 40 GJEB CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 43075857 LRHCZUWXSLEYAA-UHFFFAOYSA-N 375.394 4.699 30 40 GJEB Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 197479161 WHBMDQUETXBTFL-YDZHTSKRSA-N 390.395 4.931 30 40 GJEB C#CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2-c1ccc(OCC)cc1 3772583 UBGUNJJUSRMHFB-UHFFFAOYSA-N 377.440 4.526 30 40 GJEB COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1C 4137328 SZSDDXHAFXSLHC-ZVHZXABRSA-N 390.439 4.727 30 40 GJEB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 5002740 YZCIPUYFNYKNTI-NRFANRHFSA-N 397.515 4.641 30 40 GJEB COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 6181766 QGCKAODFNXSPEY-CFRMEGHHSA-N 394.496 4.909 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1 10118956 BYVMHFNDCALUTP-AFUMVMLFSA-N 395.890 4.658 30 40 GJEB C[C@H]1CCC[C@@H](C)N1/N=C/c1cc(Br)c(O)c(Br)c1 12614059 FGDWJASBDSWETK-XAEIKVNOSA-N 390.119 4.514 30 40 GJEB COc1ccccc1CN(C)C(=O)c1ccccc1Sc1ccccc1C#N 12738938 XXIUQDXZUPHNOY-UHFFFAOYSA-N 388.492 4.990 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)c(Cl)c3)o2)SC1=S 13548760 JEDUGIMSZADTNQ-YBEGLDIGSA-N 391.901 4.996 30 40 GJEB C#CCN1CCC[C@H]1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 72282453 GWOQTWQVQZFYSZ-ZDUSSCGKSA-N 399.566 4.636 30 40 GJEB COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1OC(F)F 652583 RTBGHQFDAWWZGP-SNVBAGLBSA-N 392.427 4.607 30 40 GJEB CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 4740384 HAQSRHRRMBZWJL-SXCYCHHDSA-N 392.455 4.567 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OCC)cc3)o2)c1C 5170002 YUQBZLZRMCOXFH-UHFFFAOYSA-N 397.500 4.715 30 40 GJEB COc1ccc(C(=O)/C=C/c2cc(Cl)c(OC(F)F)c(OC)c2)cc1OC 7744512 WDLPOGKZRVCGOI-GQCTYLIASA-N 398.789 4.863 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCOc2ccccc21 12798873 STHDXYFEFGNBAH-LJQANCHMSA-N 386.476 4.963 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(O)cc1 19852295 XYUUMHUPSHHIAF-UHFFFAOYSA-N 391.905 4.527 30 40 GJEB C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCC1 66316967 DQSSSCIEZXCEQF-ZDUSSCGKSA-N 389.908 4.569 30 40 GJEB O=C(/C(F)=C(/F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F 100405031 OGUAMXMVIRXTMU-UPHRSURJSA-N 378.059 4.737 30 40 GJEB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCc3onc(-c4cccc(F)c4)c3C1)C2 100773801 LRGFJVHGWRQMCM-QMHKHESXSA-N 380.463 4.748 30 40 GJEB CCOC(=O)c1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCC3)cc1 855465 RSMFDJLGOIVXEE-UHFFFAOYSA-N 396.450 4.768 30 40 GJEB N#Cc1c(/N=C/c2cc3c(cc2Br)OCO3)sc2c1CCCC2 1100199 ISZBFOFZSKCTON-DNTJNYDQSA-N 389.274 4.740 30 40 GJEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1 2448460 XXEBBYSTLZNJEO-UHFFFAOYSA-N 399.903 4.672 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cc(C)cc(C)c3)nc2c1 35311064 ORNUOKFOWASPAZ-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB COCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N\c1ccccc1 100275552 QHEDXUMVDIWRTO-NVTWWLNUSA-N 391.496 4.727 30 40 GJEB Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2SCCC#N)c1C 108199688 HAPJGKHRNYDYOR-UHFFFAOYSA-N 376.485 4.747 30 40 GJEB CCN1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1ccc(C)cc1 408909991 VNLRBCCTXQSLHC-ZIGJTDFESA-N 377.469 4.521 30 40 GJEB C(=N/Nc1nc(-c2ccco2)c(-c2ccco2)s1)\c1ccc2c(c1)OCO2 408974352 FGFUBSZDSFJHIN-KEBDBYFISA-N 379.397 4.838 30 40 GJEB COc1ccc(/C=N/OC(=O)c2ccc(C)cc2)cc1COc1ccc(F)cc1 2747154 NVGKFFMVHFXRRB-AFUMVMLFSA-N 393.414 4.913 30 40 GJEB FC(F)Oc1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)cc1 3233850 CNUNTVAPCQKEJL-LSFURLLWSA-N 389.349 4.627 30 40 GJEB C=C1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 4024888 YCDZXIYKJHQMIG-GQFGMJRRSA-N 384.516 4.575 30 40 GJEB biogenic,in-vitro C=CCc1cccc(/C=N/c2ncc(Br)cc2Br)c1O 4749499 ATWQXBMDGQZMSL-QGMBQPNBSA-N 396.082 4.791 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(Br)o1 5376730 IGGVNPLJMRFDLI-YRNVUSSQSA-N 383.654 4.587 30 40 GJEB C#CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC 9197176 STISFYXRVXGOGH-LSHDLFTRSA-N 397.689 4.791 30 40 GJEB COc1cc2c(cc1NCC(=O)Nc1ccc(CC#N)cc1)oc1ccccc12 11619456 PKOYHGOYDUODOC-UHFFFAOYSA-N 385.423 4.711 30 40 GJEB C=CCOc1ccc(C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)cc1OC 12325253 MNSAUVFGYXIZHZ-UHFFFAOYSA-N 396.874 4.593 30 40 GJEB CCOc1ccc(/C=C/C(=O)C2=C(C)N(CC)C(=O)N[C@H]2c2ccccc2)cc1 12408232 INKZSWMETTXYHT-IGVGMEOHSA-N 390.483 4.728 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(Cl)c(Cl)c1 18195588 ITELXUUCYPJUAF-CYBMUJFWSA-N 378.259 4.623 30 40 GJEB CCCCCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 29748480 PEUPEFUVAQUMIF-UHFFFAOYSA-N 376.541 4.610 30 40 GJEB Cc1ccc(O)c(/C=N/c2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 38162654 GBOAZMVWAHBOHJ-WYMPLXKRSA-N 390.826 4.905 30 40 GJEB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1 225775236 NHUVXWGNRSTHKI-MRXNPFEDSA-N 396.462 4.562 30 40 GJEB CCOc1cc([C@H]2N=C(SC)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408732470 VISWWZWIGXBJPO-OAQYLSRUSA-N 396.512 4.934 30 40 GJEB C/C(=N\Nc1nc(-c2ccccc2)c2ccc(Cl)cc2n1)c1ccnn1C 585081040 SAENBOVFNSVKCN-DHRITJCHSA-N 376.851 4.520 30 40 GJEB CCN(CC)C(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)c(C#N)c1C 4155228 ZQMIZOWYHSADCY-UHFFFAOYSA-N 390.896 4.708 30 40 GJEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc(Cl)cc1Cl)C(C#N)C#N 5416510 JVMUCYDWUTWWED-MOPGFXCFSA-N 397.265 4.779 30 40 GJEB COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c1OC 17078126 MADKLKNSKZCTRI-DLTWUOELSA-N 382.485 4.716 30 40 GJEB CCCCCCCn1c(=N)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 100616659 RZQAEMUUEVTBEY-UHFFFAOYSA-N 394.475 4.684 30 40 GJEB N#Cc1s/c(=N\C(=N\c2ccccc2)c2ccccc2)n(-c2ccccc2)c1N 103653703 NZSHYUJYQGYHFH-FLPXOHCLSA-N 395.491 4.672 30 40 GJEB C=CCSc1nc2ccccc2c(=O)n1-c1cc(OC)c(Cl)cc1Cl 5356963 GYLPDPYAKXZPOO-UHFFFAOYSA-N 393.295 4.979 30 40 GJEB N#Cc1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12600478 BZJBAIFMYAPCQB-UHFFFAOYSA-N 384.464 4.628 30 40 GJEB CCc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)n2)cc1 32942943 MOJQSQYXUVCCEU-AWEZNQCLSA-N 377.469 4.650 30 40 GJEB CCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 33911935 OYEFPWLLQYSPRV-DRNJXZDHSA-N 385.920 4.974 30 40 GJEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(O)c(Cl)c2)S1 408768069 BNMHARJYJFAZGF-NVNXTCNLSA-N 379.268 4.899 30 40 GJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/c2cccc(C(=O)O)c2)c1C 408913676 MWTCJCKVAXXIPK-FSJBWODESA-N 376.412 4.550 30 40 GJEB CCOc1cc(C(=O)O/N=C(\C)c2cccs2)cc(OCC)c1OCC 668419 MZVRPCKLJGAHFE-DEDYPNTBSA-N 377.462 4.525 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 2931196 ISGPFCCARCUJCG-CPNJWEJPSA-N 397.521 4.661 30 40 GJEB C=CCn1c(SCc2ccc(OC(F)(F)F)cc2)nc2ccccc2c1=O 2970195 PVBJFUDWSKBGJQ-UHFFFAOYSA-N 392.402 4.773 30 40 GJEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)c1 5177322 VFQRWVOYYHMTNA-NHDPSOOVSA-N 390.366 4.670 30 40 GJEB C[C@]1(/N=C/c2ccccc2O)C[C@H](/N=C/c2ccccc2O)c2ccccc2O1 5356642 KESRYMUTLYVDLO-CEONUQPCSA-N 386.451 4.876 30 40 GJEB CC(=O)N(c1cccc(Cl)c1)c1nc(COc2ccccc2C#N)cs1 6879127 HAWAYXQQCBERBV-UHFFFAOYSA-N 383.860 4.932 30 40 GJEB C=CC(C)(C)c1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)cc3c(=O)c2c1O 13412042 LVKPSBFBKBJJOB-UHFFFAOYSA-N 396.439 4.741 30 40 GJEB biogenic,in-vivo COc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1OC 103711269 REBJJCKBEVDVON-DDRRTAJHSA-N 388.876 4.591 30 40 GJEB CSc1nc(-c2ccc([N+](=O)[O-])cc2)oc1/N=C\c1ccc([N+](=O)[O-])cc1 104153943 IFGIZMQWEWMPEX-ZDLGFXPLSA-N 384.373 4.631 30 40 GJEB N#Cc1cc(Br)cc(Br)c1OCc1ccccc1F 408536697 AKHYTJHHISGLGP-UHFFFAOYSA-N 385.030 4.801 30 40 GJEB Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc2ncccc2c1 408964543 DHVIOGFIXBPSMS-MYYYXRDXSA-N 399.523 4.963 30 40 GJEB Cc1n[nH]c(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)NO)c(Cl)c1 2048464853 UMQKDDMRCQAIGA-UHFFFAOYSA-N 391.258 4.863 30 40 GJEB C=CCN1C[C@@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O 4385999 JGFNWOCRHPMCPX-FQEVSTJZSA-N 387.527 4.820 30 40 GJEB COc1ccc(/C=C\C(=O)c2ccc(N3C(=S)NC(C)(C)C=C3C)cc2)cc1 4601157 WFCGRZAHLLYLEP-AUWJEWJLSA-N 392.524 4.968 30 40 GJEB COc1ccc(C)cc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N 4849090 SVNFTFUCCVZKJY-UHFFFAOYSA-N 391.496 4.771 30 40 GJEB N#CCCC1(CCC#N)CCCCCCC(CCC#N)(CCC#N)C(=O)C1=O 5566803 SMBRNMXWHMIBML-UHFFFAOYSA-N 380.492 4.667 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c[nH]c5ccccc45)[C@H]3C[C@H]12 12659796 GSEQLMIKUZMKEZ-FIXGDMNTSA-N 392.543 4.614 30 40 GJEB biogenic C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)SC1=S 13943081 VURCPPXFDUPTAB-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB CSc1n[nH]c(N/C(=N\C(Cl)=C(Cl)Cl)c2ccc(C)cc2)n1 27023225 KMZVANOVLQANNS-UHFFFAOYSA-N 376.700 4.537 30 40 GJEB C=CCS[C@]1(Br)NC(c2ccccc2)=C[C@@H](c2ccccc2)N1 101320952 CKKKGHIGUGHFQL-HKUYNNGSSA-N 387.346 4.887 30 40 GJEB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 225779116 PCKOFRMHSXDPIN-UHFFFAOYSA-N 398.890 4.686 30 40 GJEB CC(C)(C)[C@@](C)(C#N)NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 613366199 WYOQFIGQXKUUJR-QGZVFWFLSA-N 381.423 4.887 30 40 GJEB N#Cc1cncc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 1635325883 MTWQTMLZCCBUIQ-UHFFFAOYSA-N 381.357 4.569 30 40 GJEB C[N+]1(CC#CCC2(O)c3ccccc3-c3ccccc32)CC[C@H](c2ccccc2)C1 1804494 UNBTXRCODKXEEN-QASNXKAYSA-N 394.538 4.931 30 40 GJEB N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCN(c2ccccc2)CC1 2427181 DOHQDFJPAODGSJ-UHFFFAOYSA-N 394.478 4.617 30 40 GJEB COc1ccccc1NC(=S)N/N=C/c1cccc(OCc2ccccc2)c1 3278770 NMNLLIPEQRBKIO-HZHRSRAPSA-N 391.496 4.595 30 40 GJEB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C#N)nc3ccccc32)cc1 3402551 CCUOIUDLGCTNDY-UHFFFAOYSA-N 398.491 4.936 30 40 GJEB CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(F)cc2)C1=O 5738713 OXQUGQKLUWCXPA-YGAJUMRDSA-N 383.492 4.768 30 40 GJEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 6813796 CTSUNANNKYAALK-LJQANCHMSA-N 393.826 4.712 30 40 GJEB C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3OCC)NC2=O)cc1 6870636 ODXMVBXIUOCFDU-RGEXLXHISA-N 380.469 4.542 30 40 GJEB COc1ccc(-c2nc(CC(=O)Nc3ccc(C#N)c(Cl)c3)cs2)cc1 15598458 TYUHGZIVYIUARO-UHFFFAOYSA-N 383.860 4.525 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3C)C[C@@H]12 17079763 FNMQPGMXOHYDGL-ZSRRLWSPSA-N 390.527 4.856 30 40 GJEB CC[C@H]1C2=C(C[C@@H](c3cccs3)CC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 18199802 BGWRWLRZVZCMNS-HIFRSBDPSA-N 391.496 4.547 30 40 GJEB C=CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 39757477 IYQXYAKGKDGSEL-UHFFFAOYSA-N 384.907 4.756 30 40 GJEB N#Cc1c(Cc2ccc(Cl)cc2)nn(Cc2ccc(Cl)c(Cl)c2)c1N 225846782 WFRKWOFYPHZUBY-UHFFFAOYSA-N 391.689 4.936 30 40 GJEB C#CCOC(=O)c1ccc2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 226317660 ONUWCMHMPTVGCA-UHFFFAOYSA-N 376.195 4.600 30 40 GJEB CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1OC 408763722 QLULFYFHAWMXPK-UYRXBGFRSA-N 382.485 4.548 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OCC)c1OCC 409086111 YLEZKVQTADXHEF-RGEXLXHISA-N 377.440 4.557 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3ccc(CC)cc3)c(C#N)cc2c1 1354802 AKEKHXSDHGRZHA-UHFFFAOYSA-N 391.496 4.798 30 40 GJEB C=CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1occc1C 6509568 HDDCOVRAHOBOPQ-UHFFFAOYSA-N 397.435 4.514 30 40 GJEB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 12406390 QCMPXYKQOSHORG-AJXNSUIMSA-N 376.456 4.731 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1cccc(Br)c1 13914612 BGHBLACRINUDBY-NTEUORMPSA-N 393.693 4.994 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)cc2)SC1=S 13942247 NJBJFRICSKNFKZ-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB CCCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N\c1ccccc1 17077777 FPWHAVIJYYFREV-FOLIBTTPSA-N 380.469 4.738 30 40 GJEB Cc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 408858292 RMGNPOJRYHZAFK-QRVIBDJDSA-N 390.395 4.931 30 40 GJEB O=C(Nc1ccc(Cl)cc1)OCC#CCOC(=O)Nc1ccc(Cl)cc1 1732744 AUTSISAOODLEAN-UHFFFAOYSA-N 393.226 4.794 30 40 GJEB O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 5340137 SADKVEXCBRVUFS-UHFFFAOYSA-N 390.399 4.756 30 40 GJEB C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(NC(C)=O)cc3)c12 9672435 LBKMCKUBQDNXLQ-SDNWHVSQSA-N 398.466 4.638 30 40 GJEB CC(=O)c1cc2c(cc1N/C=C\C(=O)c1ccc(Cl)c(Cl)c1)OCO2 16321899 PBLFAPWZMIQUNM-PLNGDYQASA-N 378.211 4.733 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc([N+](=O)[O-])c1)OCO3 18197433 TUOUDXQVNNBGSX-FQEVSTJZSA-N 392.411 4.524 30 40 GJEB Cn1c(=O)c2c(c3ccccc31)OC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1 18199608 NCPRNMRWKLNLEK-LJQANCHMSA-N 391.854 4.723 30 40 GJEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)Nc3ccc(Cl)cc3)nc2c1 19569326 SVOPUJIHSTUAFQ-UHFFFAOYSA-N 393.878 4.610 30 40 GJEB COc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N)c1C#N 19848173 UUEBSYLPTHXYIP-UHFFFAOYSA-N 380.245 4.641 30 40 GJEB CCCCN(CCCC)C[C@H](O)CON=C1c2ccccc2-c2ccccc21 27228808 UHBPWAKOFPVFJO-IBGZPJMESA-N 380.532 4.699 30 40 GJEB OC(CC#CCN1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1 61991227 OMEHVOYIAJGHCF-AREMUKBSSA-N 396.534 4.938 30 40 GJEB biogenic N#CCOc1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 409159133 ZGUMHUWQZIEMQF-BXWFABGCSA-N 381.819 4.977 30 40 GJEB O=C(/C(Br)=C(\Br)C(=O)c1ccccc1)c1ccccc1 1707608 WYBKSZUTKGRPNK-BUHFOSPRSA-N 394.062 4.754 30 40 GJEB COc1ccc2c(CC(C#N)(c3ccccc3)c3ccccc3)cc(=O)oc2c1 3324718 UHQUAMYMQIXOEY-UHFFFAOYSA-N 381.431 4.854 30 40 GJEB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC#N)cc1)N2 4675444 YIMVLTTYVHYBNO-LQWHRVPQSA-N 375.428 4.941 30 40 GJEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1cccc(C)c1C 5619811 KCYJGJVFAAFWJA-CLCOLTQESA-N 389.484 4.618 30 40 GJEB O=C(/C=C/N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl 6276572 QNKRSVCEMCQMOM-BQYQJAHWSA-N 379.262 4.651 30 40 GJEB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2oc1=O)c1ccccc1 7062456 ZXIBIMHQCCFKHZ-NBVRZTHBSA-N 398.374 4.520 30 40 GJEB C=CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 8104127 GDKBBRCJYNTHEY-UHFFFAOYSA-N 396.668 4.685 30 40 GJEB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1CCC#N 12627263 KOKGOZMSBUMIRE-LBPRGKRZSA-N 387.270 4.748 30 40 GJEB COc1ccc(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Cl 12977023 OURLQNHPQRACCJ-UHFFFAOYSA-N 389.908 4.601 30 40 GJEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 226344493 SIODPWJEFFICPH-UHFFFAOYSA-N 391.652 4.989 30 40 GJEB O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccc(Cl)cc1 408754478 VFQWTFWZUBYYOA-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)O)cc1Cl 409213036 RYLOOGSYKWTZMR-UFWORHAWSA-N 382.641 4.625 30 40 GJEB CC1(C)OB(c2ccc(Oc3ccc(Br)cc3)cc2)OC1(C)C 952959061 HFSNDJODCBKJAO-UHFFFAOYSA-N 375.071 4.541 30 40 GJEB CN(CCO)c1ccc(C(F)(F)F)cc1/N=C/c1c(O)ccc2ccccc12 709835 OQOBTCYQSSSBMI-DHRITJCHSA-N 388.389 4.743 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C)CC3 2230352 XGAMRENCXMOEDW-AWEZNQCLSA-N 382.554 4.909 30 40 GJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C 3094388 ZFEGYHGHCUXYIV-JOCHJYFZSA-N 397.515 4.785 30 40 GJEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F 4549165 VLGJMMSFAVKKOJ-YDZHTSKRSA-N 395.390 4.768 30 40 GJEB O=C(O)c1cccc(N/N=C(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 4616594 KZAVLMSOEWEYFK-VWIJOZOXSA-N 387.395 4.823 30 40 GJEB C=C1C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 5383411 XSNMCQGNVPSIQM-MJILPEOWSA-N 384.516 4.575 30 40 GJEB CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 6677831 GLUNZONSTMJPHY-OAHLLOKOSA-N 395.315 4.719 30 40 GJEB O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cc3ccccc3)ccc2O)cc1 16480963 GXKGVYDJVJFDQW-JJIBRWJFSA-N 389.455 4.812 30 40 GJEB C(=N/OCc1coc(-c2cccs2)n1)\c1ccc(OCc2ccncc2)cc1 32936845 WNOJPWVZKQKOCI-FSJBWODESA-N 391.452 4.928 30 40 GJEB O=C(/C=C/c1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O 65532292 JMHGWNZBVSPKBH-CCEZHUSRSA-N 391.430 4.968 30 40 GJEB CCCCCCCC[S@](=O)C[C@H](CO)[S@@](=O)CCCCCCCC 100952014 POEADAGXPOJBRC-WUMKDDEVSA-N 380.660 4.566 30 40 GJEB CN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1cccc(C(=O)O)c1 210584521 VLLBYHCYYNACPK-NMSSZPRHSA-N 388.448 4.772 30 40 GJEB C=CCc1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)cc(OCC)c1OCC 408931528 MTHURHZHCWBPPS-ULYVCNGISA-N 388.533 4.525 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Br)c2)C1=O 409066534 LMBYCARFRPMUGX-HGLKBHAMSA-N 396.306 4.849 30 40 GJEB C=CCSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 11511299 QGDXWIXRCJICBF-UHFFFAOYSA-N 376.279 4.627 30 40 GJEB C=CCOc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219463457 DDQHKEXTOHBGJY-UHFFFAOYSA-N 386.451 4.784 30 40 GJEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)ccc1O 408916832 ZNWZKHXCWSJFQA-QNQNADBQSA-N 396.512 4.977 30 40 GJEB CCOc1cc(/C=N/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)ccc1OC 408974254 DPBPAJDZQXKOSM-LPYMAVHISA-N 394.431 4.555 30 40 GJEB Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/O)cc1 409052731 AEEVOOYSWJNGPZ-QGMBQPNBSA-N 399.082 4.907 30 40 GJEB N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 409167279 IBBOKIRNFGLJTJ-DOXZYTNZSA-N 381.819 4.977 30 40 GJEB COc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 409213287 UEDDOSCOQKTKDB-JCMHNJIXSA-N 381.453 4.522 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)SC1=S 409330068 KEGBAOVWOBACSC-NTEUORMPSA-N 398.347 4.624 30 40 GJEB CCOC(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 5709636 ZBPLYSPEMKFAPP-JFMUQQRKSA-N 375.468 4.812 30 40 GJEB CC1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 13302616 GGOGNFQWTSTWHA-ICFDZUSXSA-N 378.384 4.969 30 40 GJEB O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1/N=C/c1ccccc1F 13633697 PGUOFXVWLQJPDP-DXKFEPEXSA-N 387.389 4.727 30 40 GJEB CCn1cc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cn1 20606576 GRGPFDIQHWNPSQ-GQHRSFQLSA-N 390.531 4.940 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc(OCc3cscn3)cc2)cc1OC 25059522 MAMCKLDGZJNIMQ-WEVVVXLNSA-N 381.453 4.635 30 40 GJEB C/N=C1/S/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)N1C 38199972 FUMRSZJYBVUKMO-NFYINOHLSA-N 375.497 4.530 30 40 GJEB C#CCN1CCC(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)CC1 72280644 ZDDFDSJZMZBNPU-UHFFFAOYSA-N 384.932 4.775 30 40 GJEB Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c1 101649843 IARMSOGSZUKKKE-VCGVYRDQSA-N 395.528 4.510 30 40 GJEB Fc1c(F)c(F)c(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c(F)c1F 102130093 GQUMFMLQMCTQCU-CYYREZFCSA-N 376.153 4.524 30 40 GJEB C=CCc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1O 409075440 VOBURPMITGGMSQ-LSHDLFTRSA-N 395.337 4.502 30 40 GJEB Cc1ccc(CCCN2CCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 585295434 ZEQRXGANYMYVHQ-LJQANCHMSA-N 393.516 4.825 30 40 GJEB N#C[C@]1(C(=O)Nc2cccc(C(=O)O)c2)CC2c3ccccc3C1c1ccccc12 1437170 XDPXAQJYIBTAAH-XUNZJTMSSA-N 394.430 4.514 30 40 GJEB O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1cc(Cl)cc(Cl)c1 5424041 RWHDXXCSXNXBHF-BOPFTXTBSA-N 390.266 4.524 30 40 GJEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(C)cc1 6155408 RMKCULOPHUJGCP-RQZCQDPDSA-N 385.847 4.942 30 40 GJEB S=C(N/N=C/c1ccc2ncccc2c1)Nc1ccc(Cl)cc1Cl 12659564 SKNQSSINZGCKQH-UFFVCSGVSA-N 375.284 4.862 30 40 GJEB Cc1cc(-c2cc(C(=O)Nc3sccc3C#N)c3c(C)noc3n2)c(C)o1 14233619 FBPNHIJDXXASDE-UHFFFAOYSA-N 378.413 4.594 30 40 GJEB CC[C@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2[nH]n(-c3ccccc3)c(=O)c21 18199806 BGWRWLRZVZCMNS-ZFWWWQNUSA-N 391.496 4.547 30 40 GJEB CCOc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682319 QAZRRJNMWIJOBL-ZXVVBBHZSA-N 397.522 4.807 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4cn(C)nc4C)C(=O)[C@@]3(C)CC[C@@H]21 36005109 GMZISXRHSBJUQJ-XUNQAOGZSA-N 390.527 4.856 30 40 GJEB O=C(NO)C1(CSc2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 36453976 PMNRYCFAWDUYAJ-UHFFFAOYSA-N 393.892 4.527 30 40 GJEB in-vitro Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 40112862 OYRXBRRRTHBMOZ-HNNXBMFYSA-N 377.444 4.529 30 40 GJEB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccc(Cl)cc2)C1=O 59516269 WBIHHRKXEWRIJF-XDHOZWIPSA-N 381.859 4.834 30 40 GJEB CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)s1 136782567 RJIJOZSUVKSBHG-NXTHYYAMSA-N 384.313 4.825 30 40 GJEB CCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C)cc1 408908483 FGGRZLCWEHACPL-DLTWUOELSA-N 382.485 4.723 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Br)c2)C1=O 409066537 LMBYCARFRPMUGX-KBVGCWLLSA-N 396.306 4.849 30 40 GJEB FC(F)C(F)(F)C(F)(F)C(F)(F)COc1cccc(Br)c1 1565662379 PJUIGTZUEVXQLI-UHFFFAOYSA-N 387.064 4.999 30 40 GJEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(C(C)(C)C)C1=O 1436539 HXMJPQWFSMGKJN-NKWDDMGQSA-N 395.528 4.754 30 40 GJEB Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2)cc1 4189338 ZMAQUZIEVNDWPU-QNGOZBTKSA-N 383.403 4.559 30 40 GJEB CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)S2)cc1 5877502 FEPBVFMNRLGRDR-MHWRWJLKSA-N 388.876 4.508 30 40 GJEB C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1cccc(C)c1 6786766 LXTJMAAEFIJQJZ-UHFFFAOYSA-N 379.485 4.518 30 40 GJEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 6813194 HWAJTHVIOJBZGH-LJQANCHMSA-N 390.464 4.543 30 40 GJEB CCOP(=O)(OCC)/C(C#N)=N\OC(=O)Nc1ccc(Cl)c(Cl)c1 13756812 HPWQPONKHYWIID-PDGQHHTCSA-N 394.151 4.645 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cc(Cl)c(O[C@H](C)CC)c(OCC)c2)C1=O 15012953 DVSNPPMNRZRWIS-COOUDCDJSA-N 393.892 4.586 30 40 GJEB C=CCSc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C#N 19848312 GUZSZDFCQKNZLF-UHFFFAOYSA-N 398.491 4.931 30 40 GJEB Cc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1[N+](=O)[O-] 31776962 QXRHYWHLSQPZQK-UHFFFAOYSA-N 387.395 4.606 30 40 GJEB N#Cc1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1OCC(F)(F)F 46033291 XJBGDLKFWXYFDD-HNNXBMFYSA-N 395.406 4.930 30 40 GJEB CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 97952111 CTGVDGAJAUCSOP-NRFANRHFSA-N 388.552 4.838 30 40 GJEB COc1cc(/C=N/c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)o1 409387170 ZYKVEBVUDXCVHR-SSDVNMTOSA-N 385.803 4.969 30 40 GJEB CCCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(F)cc2)C1=O 4903254 GICNSIHFHINLAU-GSGORFQQSA-N 383.492 4.850 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 5372125 HTBWOKXDBSSSBL-UYRXBGFRSA-N 395.505 4.860 30 40 GJEB COC(=O)c1ccc(COc2ccc(/C=N/N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 5504699 MRWRZIZDSZOKQY-WGCRICIGSA-N 380.488 4.649 30 40 GJEB O=C(O)c1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1Cl 5648195 TXRGRQDYAYQVQI-UHFFFAOYSA-N 378.767 4.761 30 40 GJEB COc1ccc2cc(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)ccc2c1 7742448 VJGIEUJWKXMLMQ-DHZHZOJOSA-N 378.424 4.770 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nnc1C1CCCCC1 9457231 OIUCPQZNKRPCMK-DLBZAZTESA-N 398.576 4.870 30 40 GJEB C=CCOc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 30940668 IQZKSHZSSJGOBQ-SFHVURJKSA-N 384.907 4.756 30 40 GJEB CC/N=C1/S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1CC 33294115 SCJRXHYDJOTYLK-TZIVZOBOSA-N 384.476 4.717 30 40 GJEB Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=O)ON=C3c3ccccc3)cc2)c1 59516383 WEISBABBPHLDMJ-RCCKNPSSSA-N 383.403 4.559 30 40 GJEB Brc1ccc(/N=C/c2ccccc2I)cc1 408550828 KDVULDCKRUMYOL-CXUHLZMHSA-N 386.030 4.804 30 40 GJEB COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cn1 408814553 HHZMYTHJZCNVSI-YVNNLAQVSA-N 383.835 4.600 30 40 GJEB CCCCCCOc1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1 3266180 ATPZNDDGCDGFMD-CJLVFECKSA-N 385.533 4.975 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1 4189396 ABOQERGRBXORKG-GCKAQTDUSA-N 396.874 4.571 30 40 GJEB CC1(C)C[C@H]2[C@@H](C1)O[C@H](/C=[N+](\[O-])Cc1ccccc1)[C@@H]2OCc1ccccc1 4292823 YINQVQUHCLYEIF-MLRWUPGOSA-N 379.500 4.557 30 40 GJEB O=C(O)c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 5560443 FYKLOPGQQGTXOS-BUVRLJJBSA-N 382.423 4.684 30 40 GJEB C[C@@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 6052343 HKUGTSHSYGTXQE-MRXNPFEDSA-N 386.407 4.535 30 40 GJEB Oc1ccc(/C=N/N=c2\scc(-c3ccccc3)n2Cc2ccccc2)cc1 6495969 ZHFFBJIOQJHGCB-UXOTVQNASA-N 385.492 4.905 30 40 GJEB C=CCOc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 9063351 SAPUJCCHUUNTFI-UHFFFAOYSA-N 384.907 4.756 30 40 GJEB Cc1c(Cl)cccc1/N=C1\N=C(O)/C(=C2/C(=O)N(C)c3ccccc32)S1 17154731 YXZPZHCYOXRXFM-NXVVXOECSA-N 383.860 4.727 30 40 GJEB N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(F)cc3F)o1)CCCC2 19841113 WFPZMABTZFZYHK-UHFFFAOYSA-N 381.382 4.531 30 40 GJEB C=CCc1cc(/C=N\O)cc(OCC)c1OCc1ccc(Br)cc1 226364319 XTTBXUJRJBDUIE-MTJSOVHGSA-N 390.277 4.963 30 40 GJEB CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC 408752103 BSRQNSAUJPDOBM-ZHZULCJRSA-N 396.512 4.938 30 40 GJEB COc1cccc(/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 408964125 BUJPTHNNQNAAAO-ZVHZXABRSA-N 391.423 4.732 30 40 GJEB COc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)c(C#N)cc2c1 917529 DVYNYKXJMOFXGZ-UHFFFAOYSA-N 397.887 4.808 30 40 GJEB COc1cccc(/N=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c1 1421688 LFNFJEXNKUMGMU-HYARGMPZSA-N 376.368 4.573 30 40 GJEB CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])cc1 1815905 NAGRYZAUKULADF-UHFFFAOYSA-N 381.461 4.696 30 40 GJEB C=CCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1OC 2081136 MXLQBIGETLNGSK-ZHZULCJRSA-N 385.419 4.758 30 40 GJEB S=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1 3188438 OKNSMWSMNBWFKD-LFVJCYFKSA-N 397.507 4.860 30 40 GJEB CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 4870607 KUFRNMIQWRNROJ-JOCHJYFZSA-N 397.430 4.672 30 40 GJEB CC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 5791250 TZMLSDXOSJFJPP-AUHZZTRPSA-N 389.883 4.723 30 40 GJEB N#CCCn1c(Sc2ncnc3sc4c(c23)CCCC4)nc2ccccc21 5902343 AEUAMAJRHGFPGE-UHFFFAOYSA-N 391.525 4.985 30 40 GJEB CCSc1nnc(N/N=C/c2ccccc2OCc2ccccc2Cl)[nH]1 8325745 OOBCMTIOAYCNEL-RGVLZGJSSA-N 387.896 4.595 30 40 GJEB Fc1ccc(N/C(S)=N/Nc2ncc(C(F)(F)F)cc2Cl)c(F)c1 13686042 VENVMYXONUZHIS-UHFFFAOYSA-N 382.745 4.757 30 40 GJEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C#N)C1 14194714 ORZOIMQPXDRABH-MRXNPFEDSA-N 387.593 4.975 30 40 GJEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3c(C)oc(C)c3C)c2)c1 24988042 HPJOHDYJFCAGIZ-UHFFFAOYSA-N 387.435 4.644 30 40 GJEB COc1cc(/C=C/C(=O)c2nc(-c3ccccc3)[nH]c2C)ccc1OC(F)F 32915309 FCDLJNPFGUJTKY-CSKARUKUSA-N 384.382 4.891 30 40 GJEB CC(=C/c1ccccc1)/C=N/n1c(S)nnc1-c1ccccc1Br 33725673 PQSZAPPZJFGFAC-XKSGRZMBSA-N 399.317 4.934 30 40 GJEB Cc1c(Cl)cccc1/N=C/c1cc(Br)c(N2CCOCC2)o1 59249298 OCPVCOXEEAUHMU-VXLYETTFSA-N 383.673 4.591 30 40 GJEB C=CCSc1nnc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)s1 225691687 KTJOBAVQSJNNLA-LBPRGKRZSA-N 385.967 4.979 30 40 GJEB CC(=O)[C@]12CCCC[C@H]1C[C@@H]1[C@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]12C 253501309 ZNSPUNVBZGKQFL-PGZDXOJTSA-N 386.576 4.897 30 40 GJEB biogenic,in-vitro COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC 408738091 IWPTUDYJOIFNNN-YVLHZVERSA-N 388.876 4.557 30 40 GJEB C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 409208521 GNIAKIAYFCJZHP-NFEGURHZSA-N 392.524 4.941 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1OC 4994202 OEJXGCBZXRBGAJ-BOPFTXTBSA-N 388.876 4.639 30 40 GJEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cccc(C)c1 6743940 MTGPAZHTQAYYTD-UHFFFAOYSA-N 382.851 4.919 30 40 GJEB C=C(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 16788660 GJOXGLQIXGNAKD-UHFFFAOYSA-N 384.892 4.545 30 40 GJEB CNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 21722174 PNQROIOCAOBPFZ-NRFANRHFSA-N 393.462 4.782 30 40 GJEB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1sc2c(c1C#N)CCCC2 101113967 PAUWAWDGHMBVJO-GZTJUZNOSA-N 396.903 4.870 30 40 GJEB Cc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 102529115 YLIAEYFHSTYAFL-JBCNATCCSA-N 387.410 4.760 30 40 GJEB CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1cccc(C(=O)O)c1 409061259 YOWGQEICLGEUIP-HPJGCCTDSA-N 394.496 4.916 30 40 GJEB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 1035423 PBEMISDLTSSGSN-OAQYLSRUSA-N 384.483 4.776 30 40 GJEB COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)[C@@H]2CC(=O)c1ccc(O)cc1 1096525 BXLJMASGWFGMML-QGZVFWFLSA-N 392.451 4.793 30 40 GJEB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2C)C2=C(CCCC2=O)N1 4649080 SUSKJCRNMFYDFA-QFIPXVFZSA-N 390.458 4.741 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccnc1 5520112 SLGXMUYBWNDJML-MLPAPPSSSA-N 383.782 4.645 30 40 GJEB CCOc1cc(/C=N/c2cccc(C)c2C)cc(I)c1O 6958923 VOKINSLOSPOTPC-VXLYETTFSA-N 395.240 4.763 30 40 GJEB C=CCOc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 20897300 XSYLBGKKSWAZGX-UHFFFAOYSA-N 378.497 4.881 30 40 GJEB N#Cc1cc(Br)cc(Br)c1OCc1cccc(F)c1 107571924 FYXLUWORHYIKOH-UHFFFAOYSA-N 385.030 4.801 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OCC 409045488 PSHSCFDWSDLCSX-BOPFTXTBSA-N 377.531 4.507 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 2424308 VZCMNCQNRRVWAT-RGEXLXHISA-N 381.453 4.891 30 40 GJEB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cc(O)ccc2Cl)S1 5576982 JMJNMVSKVOUNHE-NVNXTCNLSA-N 379.268 4.899 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C#N)C1 5901885 XFNUFSYSUOGLAG-GFCCVEGCSA-N 383.473 4.931 30 40 GJEB COc1ccc(-c2cnc(SCC#N)n2-c2ccc(OC(F)F)cc2)cc1 44088114 YQPVJDCRHXEZMU-UHFFFAOYSA-N 387.411 4.765 30 40 GJEB Cc1cccc(Cn2cc(/C=N/N3C(=O)c4ccccc4C3=O)c3ccccc32)c1 408997708 SLSOYDLMVMAHNO-VULFUBBASA-N 393.446 4.628 30 40 GJEB Cc1cc(C(=O)O)ccc1/N=C/c1cccn1-c1ccc(Br)cc1 1101231 IJUWZHBWWKIZSF-CIAFOILYSA-N 383.245 4.997 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 5619041 BXCSHYNIBWCABB-NSHDSACASA-N 391.418 4.759 30 40 GJEB O=C(COc1cccc(F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 32942956 SWJUBJBENMZSTD-UHFFFAOYSA-N 381.247 4.881 30 40 GJEB C=CCn1c(SCCCc2nc3ccccc3o2)nnc1-c1ccoc1C 48355410 IWEHBBWRSNGDKB-UHFFFAOYSA-N 380.473 4.899 30 40 GJEB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O 409161841 BEXICWJERNJXMJ-SXGWCWSVSA-N 388.370 4.814 30 40 GJEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C 409318254 UMXRCUDSYUGIAF-CYBMUJFWSA-N 398.304 4.863 30 40 GJEB CC(=O)O[C@H]1C[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1C(C)=O 409421762 YWCAMUNPTULUPQ-YGQADWEWSA-N 386.532 4.511 30 40 GJEB COc1ccccc1-n1c(SCc2ccccc2C#N)nc2ccccc2c1=O 6839790 CXQWSXJOLZZEJF-UHFFFAOYSA-N 399.475 4.558 30 40 GJEB CN1/C(=C\C(=O)CSc2nncc3ccccc23)C(C)(C)c2ccccc21 12603663 ZKXBUMIERMUPHB-NDENLUEZSA-N 375.497 4.603 30 40 GJEB C=C(C)Cn1cnc2c(sc3nc(-c4ccccc4Cl)nc(C)c32)c1=O 13693323 UUTOGFZWDXUPKX-UHFFFAOYSA-N 382.876 4.606 30 40 GJEB COc1cc([N+](=O)[O-])ccc1N/C(C)=C/C(=O)c1ccc(Br)cc1 32100491 OSFLJCCOUIZYHF-PKNBQFBNSA-N 391.221 4.565 30 40 GJEB COC(=O)c1cccc(/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408960060 IVPRRSMOQXYICC-OYKKKHCWSA-N 389.407 4.501 30 40 GJEB Cc1ccc(C)c(NC(=O)CCC(=O)[C@H](C#N)c2nc3ccccc3s2)c1 1614011 NXKDJBWWGZNNCM-HNNXBMFYSA-N 377.469 4.508 30 40 GJEB COc1ccccc1-c1nnc(SCCCC#N)n1-c1ccc(Cl)cc1 5689784 IJYQGRJJFCDIFX-UHFFFAOYSA-N 384.892 4.992 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 6251236 FBEJDTKXBRKWDC-RREIPUBJSA-N 381.207 4.616 30 40 GJEB Cc1nn2c(N)c(C#N)c(-c3ccc(F)cc3)nc2c1-c1ccc(Cl)cc1 15084613 GKHVJRQEBHVETI-UHFFFAOYSA-N 377.810 4.618 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)nnc1C1CC1 24924234 XHYOJFGDAXKANT-AWEZNQCLSA-N 384.549 4.758 30 40 GJEB O=[N+]([O-])c1ccc(/C=N\CCCCCC/N=C\c2ccc([N+](=O)[O-])cc2)cc1 104063649 IDCYZFYGYYOLTF-BMJUYKDLSA-N 382.420 4.601 30 40 GJEB O=C(COc1ccc(/C=N\c2ccccc2O)cc1Cl)Nc1ccccc1F 409385763 KBPOABJLOCKDPR-MSXFZWOLSA-N 398.821 4.953 30 40 GJEB Cc1ccc(C)c(-n2cnc3cc(C(=O)Nc4cccc(CC#N)c4)ccc32)c1 1543579611 UAGRDVOIVPKJAP-UHFFFAOYSA-N 380.451 4.961 30 40 GJEB C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 12795825 HOSMGGMOWPKEPT-WEVVVXLNSA-N 389.904 4.791 30 40 GJEB C/C(=N\c1ccc2c(c1)C(=O)[C@@H]1C=CC=C[C@H]1C2=O)c1cc2ccccc2oc1=O 18058509 QNXZAMGUPFACBX-XZTWIXQLSA-N 395.414 4.671 30 40 GJEB CCCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O 51367017 OMTCQJITTBMBGB-ILZOBUCISA-N 389.521 4.912 30 40 GJEB C=CCOc1c(Br)cc(/C=C2/Cc3ccccc3C2=O)cc1OC 96931563 FRUQSWBFQFGDKK-DHDCSXOGSA-N 385.257 4.845 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)n1nc(-c3ccccc3)nc1N2 950971 ZEKWTUVELGMJRC-LJQANCHMSA-N 376.847 4.621 30 40 GJEB Cc1ccc(C2=C/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1C 1578435 DIVCMGYQCTVIIS-JWGURIENSA-N 397.478 4.919 30 40 GJEB N#Cc1ccc(COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 3285966 YZAFOYNHPXAFSG-UHFFFAOYSA-N 385.448 4.829 30 40 GJEB COc1ccc(-n2c(SCCCC#N)nnc2-c2ccc(Cl)cc2)cc1 12597759 BGJYRZXEIQNGRT-UHFFFAOYSA-N 384.892 4.992 30 40 GJEB Cc1ccc(-c2n[nH]c(/N=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1 12995156 ZZJINHJVRIGAQG-UHFFFAOYSA-N 377.231 4.754 30 40 GJEB C=CCN1CCc2cc(CN(Cc3ccncc3)Cc3ccc(OC)cc3)ccc21 13570267 MCGPKQODSMSWMF-UHFFFAOYSA-N 399.538 4.841 30 40 GJEB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(F)c1 16124913 IPABAJHYPZBCGE-UHFFFAOYSA-N 387.276 4.664 30 40 GJEB C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O 22129823 UDKABVSQKJNZBH-MVUKCBPYSA-N 396.527 4.741 30 40 GJEB biogenic COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@@]3(C)CC[C@@H]21 36614438 ODAGNZWITYICME-WSYVLOJXSA-N 376.500 4.547 30 40 GJEB CCOC(=O)c1sc(N/N=C/c2ccc(N(C)c3ccccc3)cc2)nc1C 59483002 BJLGRYLQSMBCDZ-HYARGMPZSA-N 394.500 4.842 30 40 GJEB COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 66088921 SCYDONGWQFZYFG-HXUWFJFHSA-N 397.515 4.641 30 40 GJEB Cc1nc(CSCCC(=O)Nc2ccccc2SCCC#N)cs1 95953598 QVNQZLMOBWVYBN-UHFFFAOYSA-N 377.560 4.719 30 40 GJEB CCCCCCCCCCCCNCCNC(=O)c1cc([N+](=O)[O-])ccc1O 100934721 NBSIROFDMXVTKK-UHFFFAOYSA-N 393.528 4.541 30 40 GJEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3cc(C)ccc3C)c2=O)cc1 101603724 KCZFXARHMCEOOT-WSDLNYQXSA-N 379.485 4.531 30 40 GJEB Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103597960 INMLCIXDLGCLPV-UHFFFAOYSA-N 391.180 4.751 30 40 GJEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc2ccccc2c1 408560765 OOWJSZNVJCMDEW-UHFFFAOYSA-N 380.517 4.691 30 40 GJEB COc1ccc([C@@H](CC#N)[C@@H](C#N)c2ccc(Br)cc2)cc1OC 1084373 FUELQXDQMHQJGY-SJORKVTESA-N 385.261 4.771 30 40 GJEB COc1ccc([C@@H](/C=N/OCc2cccc(C(F)(F)F)c2)C(C)=O)cc1OC 4002260 FOZAKHHZHTWEJX-PKOLSWDWSA-N 395.377 4.598 30 40 GJEB C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 219794414 QXCXZUURSHNYTG-UHFFFAOYSA-N 397.862 4.617 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1cc(C)ccc1C 408909575 VIISOPDJJZNTJA-NNSJDREZSA-N 396.512 4.945 30 40 GJEB CSc1ccc(/C=[N+](\[O-])[C@H]2N(c3ccccc3)C(=S)SC2(C)C)cc1 1436880 RBKNLYPKUHFZEF-IZQLPPHKSA-N 388.583 4.981 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@@H]4c4cccnc4)[C@H]3C[C@@H]12 3999113 BQQBCCCZBJNJIU-QXCCQKCFSA-N 394.559 4.923 30 40 GJEB biogenic C=CCN1C(=O)[C@H](Cc2ccccc2C)S/C1=N\N=C\c1ccc(Cl)cc1 4075951 NNPQUHJBNDBINN-UHJWXMBMSA-N 397.931 4.711 30 40 GJEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1cccs1 4171003 RLSQEJGNVSFWAT-HXUWFJFHSA-N 389.476 4.569 30 40 GJEB N#Cc1ccc(-c2cccnc2)nc1SCC(=O)C12CC3CC(CC(C3)C1)C2 4180819 RRELDCZNWXJLLG-UHFFFAOYSA-N 389.524 4.893 30 40 GJEB CCOC(=O)C1=C(Nc2cccc(Cl)c2)S/C(=C\c2ccc(C)o2)C1=O 4696121 GWJCMIVKMUOKLK-GDNBJRDFSA-N 389.860 4.785 30 40 GJEB N#C[C@H](C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 5714138 GCUUDVYSFPQBBE-INIZCTEOSA-N 394.780 4.954 30 40 GJEB CCOc1cc(/C=N/c2ccccc2)ccc1OS(=O)(=O)c1ccccc1 6961669 VHVBMCIREHIKPC-CJLVFECKSA-N 381.453 4.604 30 40 GJEB N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(N4CCCC4)cc3)cc2)cc1 10037718 QIYIVEPYHYDKFR-UHFFFAOYSA-N 397.478 4.843 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC 16196192 HDEFMILELXISSY-AQTBWJFISA-N 389.542 4.794 30 40 GJEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3Cl)N(C)C)o2)cc1 27991302 SODOUIVBOHVPQK-LJQANCHMSA-N 380.879 4.890 30 40 GJEB C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)CCCCC4)c1cccs1 33423816 FLPYPGRIBVLOFW-FSJBWODESA-N 397.529 4.610 30 40 GJEB CCc1nnc([C@H]2C(=N)S/C(=C\c3c(OC)ccc4ccccc34)C2=O)s1 33787863 DHXMWEODZIYJEE-LVCUWPMGSA-N 395.509 4.680 30 40 GJEB CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3c(Cl)cccc32)cc1 46085228 XIMXCQIECHAXPC-NMWGTECJSA-N 386.879 4.632 30 40 GJEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224670126 VXSYZOLPGYEDCT-UHFFFAOYSA-N 379.481 4.647 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)O)cc3)c2C#N)C1 409089877 KVGICTZMAPMAMV-ZWGXDWAISA-N 396.512 4.985 30 40 GJEB Oc1c(Br)cc(Cl)cc1/C=N/Nc1ccc(C(F)(F)F)cn1 409109188 ZHMVLAWAYCZBGB-DENHBWNVSA-N 394.578 4.668 30 40 GJEB Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCC(=O)O 409213444 VHKNTYFMVTVPMX-UFWORHAWSA-N 382.641 4.625 30 40 GJEB N#Cc1ccc2c(c1)CN(C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)C2 594238655 SPPYUDXVHOTANQ-IBGZPJMESA-N 385.389 4.754 30 40 GJEB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2C)C2=C(CCCC2=O)N1 689983 SUSKJCRNMFYDFA-JOCHJYFZSA-N 390.458 4.741 30 40 GJEB Oc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 1780525 CZSHRPZNFYMZGA-HZHRSRAPSA-N 386.480 4.825 30 40 GJEB CCCCCCCCCS(=O)(=O)N/N=C/c1ccc(Cl)cc1Cl 2185960 PYFOHPFCTLEDKK-CPNJWEJPSA-N 379.353 4.997 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]c5ccccc45)[C@H]3C[C@@H]12 4028487 GSEQLMIKUZMKEZ-LFXAKYLNSA-N 392.543 4.614 30 40 GJEB biogenic CN(C)c1ccc(/C=N/c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1[N+](=O)[O-] 4455727 OJUZTGZONHPSNQ-HYARGMPZSA-N 390.399 4.987 30 40 GJEB CC(C)(C)c1ccc(OCCn2cc(/C=N/c3nc[nH]n3)c3ccccc32)cc1 5726779 BDZRFZJBDPMWNR-ZVHZXABRSA-N 387.487 4.887 30 40 GJEB C#CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1OCC 6959249 WFNCIWJEIXYPDP-UHFFFAOYSA-N 378.241 4.611 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 8463261 RVXLRFFADANDKP-JOCHJYFZSA-N 390.458 4.741 30 40 GJEB CC(C)c1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)cc1 22608146 UWFUJNLSBYFVBU-GTNSWQLSSA-N 390.409 4.688 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCOc1ccc(F)cc1 30480984 IDOHYXLNLHERKM-UHFFFAOYSA-N 392.455 4.657 30 40 GJEB CCCCCCCC(=O)N1N=C(CC)C[C@]1(O)c1ccc(Br)cc1 103764873 HTGBWUCEIYDOFB-IBGZPJMESA-N 395.341 4.953 30 40 GJEB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCOCC2)cc1 225773840 YXHPYWLAIVXOJW-UHFFFAOYSA-N 392.499 4.588 30 40 GJEB COCCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)S/C1=N\c1ccccc1 408931767 QBERUALJMJMRGO-BLFRMDKKSA-N 396.512 4.644 30 40 GJEB N#Cc1c2nc3ccccc3nc2n2ccc(NC(=O)c3ccc(Cl)cc3)cc12 2227342 CAAUNCRJESJJQG-UHFFFAOYSA-N 397.825 4.813 30 40 GJEB O=C(O/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1Cl 2387759 RRWBMJNQAVTAQR-HCBMXOAHSA-N 396.674 4.964 30 40 GJEB C=CCn1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 3659113 FXALTAXRJZOIOZ-WQRHYEAKSA-N 377.831 4.578 30 40 GJEB CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 4214757 LSWBQIAZNGURQV-WTBIUSKOSA-N 386.532 4.608 30 40 GJEB biogenic,in-man CN(C)c1ccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1 4817345 MKGLOQXJFSBAEE-WSDLNYQXSA-N 379.416 4.742 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 5551435 KAPVOMLQEAVAKZ-AUWJEWJLSA-N 394.239 4.793 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nnc1-c1ccoc1C 6911093 UZWWPIVISJWKAB-AWEZNQCLSA-N 392.484 4.877 30 40 GJEB CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 215734839 CGTWREYZKQXRHT-UHFFFAOYSA-N 395.406 4.535 30 40 GJEB C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225056370 IXNRGOQUFGJMCA-UHFFFAOYSA-N 387.888 4.883 30 40 GJEB C(=N\n1cnnc1-n1nc(-c2ccccc2)cc1-c1ccccc1)\c1ccccc1 227149383 DVDSVSPGEKRXFS-ONUIUJJFSA-N 390.450 4.680 30 40 GJEB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 1035422 PBEMISDLTSSGSN-NRFANRHFSA-N 384.483 4.776 30 40 GJEB CCOc1ccc(/N=C2/C(=O)N3c4c2cc(OC)cc4[C@@H](C)CC3(C)C)cc1 1411212 CNEWJPWUGCTXIP-VSSLKNPCSA-N 378.472 4.847 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 2117705 GZAVEAMSTVMUCV-INIZCTEOSA-N 398.553 4.823 30 40 GJEB COc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc(Cl)c1O 2773266 SKDKSQNSFUGWIS-RIYZIHGNSA-N 395.267 4.599 30 40 GJEB CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 3094389 NNXBYYKZQRPTMG-NRFANRHFSA-N 397.515 4.643 30 40 GJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5209342 GILSJUUREXBYHZ-OAHLLOKOSA-N 395.890 4.795 30 40 GJEB COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2C)cc1 5486209 HQUXQMZSZRKEGC-HNNXBMFYSA-N 390.483 4.799 30 40 GJEB COC(=O)c1ccc(Nc2nc(SC)nc(-c3ccc(C)cc3)c2C#N)cc1 5509617 DOAYRQRIRGHKJB-UHFFFAOYSA-N 390.468 4.576 30 40 GJEB COc1ccc(/N=C/c2cc(Br)c(O)c(Br)c2)cc1 5513505 NJIXPJYKKCFPCO-CAOOACKPSA-N 385.055 4.676 30 40 GJEB CCc1cc(SCc2cccc(C(=O)O)c2)n2c(nc3ccccc32)c1C#N 12580959 YDYHCIJJEUDFTG-UHFFFAOYSA-N 387.464 4.912 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)SC1=S 13897571 PSKJNNHQRGUUFC-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C(C)C)C2=O)cc1[N+](=O)[O-] 17081267 ZPEWVCLBLXZORI-LLPDMMGZSA-N 397.456 4.616 30 40 GJEB O=C1/C(=C/c2cccs2)Oc2c1ccc1c2CN(Cc2cccs2)CO1 20650808 RLSNDEIZTPCLBN-NVMNQCDNSA-N 381.478 4.778 30 40 GJEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/n1c(S)nnc1-c1ccc(OC(F)F)cc1 103207202 DJOCRULSOVSQHK-WGZJRGLNSA-N 390.459 4.662 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C1/CCCc2ccccc21 103380077 KADYZPRFCDULNJ-BKUYFWCQSA-N 394.309 4.674 30 40 GJEB Cc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccccc1 409036213 ARYYKPKTIWDASH-PGGKNCGUSA-N 381.295 4.808 30 40 GJEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1 1097852 UHUDMRVJPUYKBZ-UHFFFAOYSA-N 375.468 4.958 30 40 GJEB N#Cc1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCCCCC2 2316382 FICQPLQGNZJVII-UHFFFAOYSA-N 387.505 4.545 30 40 GJEB C=CCN1C(=O)[C@@H](Cc2ccccc2C)S/C1=N\N=C\c1ccc(Cl)cc1 2669204 NNPQUHJBNDBINN-UHNOWLQGSA-N 397.931 4.711 30 40 GJEB N#Cc1c(SCC(=O)N2CCCCC2)nc(-c2cccs2)c2c1CCCC2 4598961 AMOUBJOGZBCMBF-UHFFFAOYSA-N 397.569 4.665 30 40 GJEB COc1ccc(NC(=S)N/N=C(\C)c2ccc3cc(OC)ccc3c2)cc1 4871764 QZVRLTQVOYIVRQ-OEAKJJBVSA-N 379.485 4.568 30 40 GJEB CCCC/N=C1\S/C(=C\c2cc(OC)ccc2OC)C(=O)N1CCCC 5552191 TVHQRWVREYKYMU-PTPABZONSA-N 376.522 4.576 30 40 GJEB CC(C)(C)c1cc[n+](/C(C(=O)c2cccs2)=C(/S)NCc2ccco2)cc1 25561911 FHMAEWVBTPFRHV-UHFFFAOYSA-O 399.561 4.655 30 40 GJEB Cc1ccc(S(=O)(=O)/N=C(/Nc2cc(C)c(O)c(C)c2)c2ccccc2)cc1 26787061 JXWIAXUFHWXACY-UHFFFAOYSA-N 394.496 4.565 30 40 GJEB CCCCCCCCS(=O)(=O)c1cc(OCC(F)(F)F)ccc1C#N 98006307 AIRCDHBTRYPOND-UHFFFAOYSA-N 377.428 4.634 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 104145268 RZGKRMPUNFGLSJ-MOBKVPTQSA-N 383.447 4.617 30 40 GJEB COc1cc(C#N)cc(Br)c1OCc1ccc(Br)cc1 226306699 NYCZDWVDMOCIBK-UHFFFAOYSA-N 397.066 4.671 30 40 GJEB C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1CC=C 408808372 FYJZWHFCIUANSQ-HKWRFOASSA-N 375.449 4.668 30 40 GJEB O=C(O)c1ccc(COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1 409071782 LKUZLPJFXIWUHK-LPYMAVHISA-N 376.368 4.623 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1c(O)ccc2ccccc12 1531384064 CDQJXXVDCZDDEY-WGOQTCKBSA-N 391.430 4.805 30 40 GJEB CC(C)CC(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 2187953 ACOSYGLOJPBHNM-UHFFFAOYSA-N 394.718 4.874 30 40 GJEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1ccc(Br)cc1 2335258 KOBOKDJGTWNSBU-NVMNQCDNSA-N 393.697 4.532 30 40 GJEB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]([C@@H](C)C[C@H]4C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 4412767 PERLHPJYXISCGQ-QKJLUVBZSA-N 388.548 4.543 30 40 GJEB COc1ccc(/C(Cc2ccccc2)=N/Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 4519761 HDRKNZBXVIPHRP-NJNXFGOHSA-N 386.411 4.534 30 40 GJEB COc1cc(/C=N/Nc2ncnc3ccccc23)ccc1OCc1ccccc1 4536870 ANUKIMOENPUSKX-VULFUBBASA-N 384.439 4.663 30 40 GJEB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 4677886 OGYAOEBDJMZKJL-FYJGNVAPSA-N 399.475 4.894 30 40 GJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 4684717 CBWVOGVHAHVXKT-LJQANCHMSA-N 379.847 4.708 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(/C=C/c2ccc(N(C)C)cc2)C[C@H]1c1ccccc1 5446668 ZDGOXDDEKRMVBJ-HOILZHLUSA-N 389.495 4.628 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(F)cc1 15946004 FFXWYBOOLIRSGF-HSHHTGOPSA-N 385.489 4.820 30 40 GJEB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 106920781 BLILEXZWJJKGLN-RTWAWAEBSA-N 379.460 4.654 30 40 GJEB Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc1Cl 408739093 TUFNRUBLVDLLEO-CHHVJCJISA-N 379.268 4.899 30 40 GJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033608 XSCVXBRNWQSIOY-INIZCTEOSA-N 377.513 4.855 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(F)c1 4487821 NSOBJXZJCJICCF-UHFFFAOYSA-N 399.381 4.948 30 40 GJEB Clc1ccc(-c2ccc(/C=N/Nc3nnc4c(n3)[nH]c3ccccc34)o2)cc1 4577682 XBLAGGSPASIAQE-SSDVNMTOSA-N 388.818 4.866 30 40 GJEB CCOC(=O)C1=C(Nc2ccc(C)cc2)S/C(=C\c2ccccc2OC)C1=O 4688348 JRGOJNAMNZOHNI-AQTBWJFISA-N 395.480 4.547 30 40 GJEB Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(Cl)c1N 65739854 LFWTXTHNAPWTLX-UHFFFAOYSA-N 390.834 4.608 30 40 GJEB in-vitro COc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 71831419 JHPNVKRHLXMOHQ-MRXNPFEDSA-N 388.423 4.765 30 40 GJEB CCCCCCCCCCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 97983784 VMUYSQCXHDSVPO-UHFFFAOYSA-N 377.481 4.729 30 40 GJEB CCCCCCCCCCOC(=S)SCC(=O)N(CCC#N)CCC#N 100931355 RXOHKJSMHWMPBY-UHFFFAOYSA-N 397.610 4.818 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)S2)c1C 408961953 VYXWTZYVLHMFLJ-ZHZULCJRSA-N 377.513 4.795 30 40 GJEB Cc1ccc(C)c2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c(C#N)cc12 4849184 NIBAERSWJNHOKH-INIZCTEOSA-N 387.508 4.793 30 40 GJEB CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OC 13072009 XBEVMNQRMIMORY-SOFGYWHQSA-N 376.836 4.661 30 40 GJEB CCN(CCC#N)c1ccc(CNC[C@@H](c2ccccc2)N2CCCC2)c(C)c1 22358353 XULKTHZHEJLYDR-VWLOTQADSA-N 390.575 4.662 30 40 GJEB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 31081818 ZPCLKPXWJCXBTB-UHFFFAOYSA-N 396.475 4.561 30 40 GJEB Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 33321055 INKSDMUMZGWOMG-MRXNPFEDSA-N 387.277 4.946 30 40 GJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(N)c([N+](=O)[O-])c1 101223306 ZFUPEEXJJMMTRE-UZYVYHOESA-N 386.864 4.779 30 40 GJEB CSc1nncn1/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408818422 OCPIUOFBNRBQKP-LSHDLFTRSA-N 381.892 4.539 30 40 GJEB N#Cc1c(NC(=O)/C=C/c2ccc(Br)cc2)sc2c1CCCC2 995712 SLFBVHAMXDLTGY-JXMROGBWSA-N 387.302 4.913 30 40 GJEB C=CCN(Cc1cccc(OC)c1OC)C(=O)c1cc2cc(Cl)ccc2[nH]1 5348922 MOEFWXBGTOFHTH-UHFFFAOYSA-N 384.863 4.667 30 40 GJEB COc1ccc(C(=O)Nc2ccccc2)cc1/N=C(\S)Nc1ccccc1 5550226 UHKYFVSRARKKCD-UHFFFAOYSA-N 377.469 4.977 30 40 GJEB C#CCN(C)C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C 96617450 UDHVVHDUEDKCHO-ZJOUEHCJSA-N 395.522 4.838 30 40 GJEB biogenic,in-vitro N#Cc1c(N)nc(SCc2cccc(F)c2)nc1Cc1ccccc1Cl 223666735 OBBIZOVSWZOVAG-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)S/C1=N\c1ccccc1 408731261 ZSALVIWPXUDCIP-KLPPEWMLSA-N 380.469 4.581 30 40 GJEB Cc1cc(/C=N/N2C(=O)CSC2=S)c(C)n1-c1ccc(Cl)c(Cl)c1 409343490 HUGFCGPNRBNLKC-FBCYGCLPSA-N 398.340 4.595 30 40 GJEB O=C(COc1ccc(/C=N/c2ccc(O)cc2)cc1Cl)Nc1ccccc1F 409378698 RRTUAWRJVZAQPP-WYMPLXKRSA-N 398.821 4.953 30 40 GJEB COc1cc(/C=N/c2ccc(F)cc2F)ccc1OCc1ccc(C(=O)O)o1 409385930 OOMUPWNIVGTDCD-AUEPDCJTSA-N 387.338 4.594 30 40 GJEB Cc1cccc2cc(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(Cl)nc12 1209302 JFRDMYVZCKAOMX-ZMOGYAJESA-N 390.874 4.745 30 40 GJEB N#Cc1c(C(F)(F)F)cc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)O 4620342 MDNMKWVVKHRWFQ-UHFFFAOYSA-N 396.434 4.617 30 40 GJEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccc1C 6743938 BPINTVLFFDFVPB-UHFFFAOYSA-N 382.851 4.919 30 40 GJEB CCCOc1ccc(CN(CCC)C(=O)c2ccc(C#N)cc2)cc1OCC 9454550 XZEJVLRXIBBYCG-UHFFFAOYSA-N 380.488 4.798 30 40 GJEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccccc1 13207833 CJDAZBXSSFDIIL-LJQANCHMSA-N 393.826 4.712 30 40 GJEB O=[N+]([O-])c1ccccc1/C=N\CCCCCC/N=C/c1ccccc1[N+](=O)[O-] 17376640 NTVOERCQNQYSIK-KBNZVFGVSA-N 382.420 4.601 30 40 GJEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C(C)(C)C)c32)ccc1O 20723409 IVUZPQRJURWEGM-KRWDZBQOSA-N 396.487 4.887 30 40 GJEB N#CCc1ccc(OCc2ccccc2NC(=O)/C=C/c2cncc(F)c2)cc1 104288082 LKYBNRQSFAIKRD-JXMROGBWSA-N 387.414 4.518 30 40 GJEB C=CCOc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cc1 225569654 JVONAIRXGMZLMY-UHFFFAOYSA-N 384.545 4.958 30 40 GJEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(Cl)cc1 409251503 PFJOJZGCLKNFTF-UHFFFAOYSA-N 380.960 4.993 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC/N=C/c1cc(Cl)ccc1O 4360443 YAISHYLDYAPAKT-ZVBGSRNCSA-N 387.745 4.504 30 40 GJEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 4866051 QZJWZRNVPPHSPH-RGVLZGJSSA-N 394.412 4.919 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccc(F)cc1)C=C1c3cc4c(cc3CCN12)OCO4 5451173 XAKZPVHZWZPAGQ-SFHVURJKSA-N 389.426 4.558 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(/C)c2cccc(Br)c2)cc1 6418591 BQUNLPJYWYORJR-NDENLUEZSA-N 392.322 4.558 30 40 GJEB O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccnc1)n1c(nc3ccccc31)N2 7496138 KVTHBDHWGIPBLS-HOYKHHGWSA-N 392.462 4.847 30 40 GJEB N#Cc1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2cccs2)c1 7956119 JDFGQGXGHCNXRR-UHFFFAOYSA-N 381.844 4.778 30 40 GJEB COc1cc(/C=N/c2ccc(C#N)cc2)ccc1OCc1cccc(C(=O)O)c1 59302682 RMLQNKAKXKUBJN-AFUMVMLFSA-N 386.407 4.595 30 40 GJEB CCCCCCCC[S@](=O)C[C@@H](CO)[S@@](=O)CCCCCCCC 100952010 POEADAGXPOJBRC-CTUHWIOQSA-N 380.660 4.566 30 40 GJEB N=C1S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C(=O)[C@@H]1c1nccs1 107751559 QGMYJOGSBRLPAD-MRLXPSEMSA-N 396.449 4.519 30 40 GJEB CC/N=C1\S/C(=C/c2ccccc2OCc2ccc(C)cc2)C(=O)N1CC 109596502 WIVIUMBSBVYFBE-QNQNADBQSA-N 380.513 4.886 30 40 GJEB N#Cc1ccccc1CO/N=C/c1cccn1-c1ccc(Br)cc1 408596118 PQFLYLKSBNDLEG-LPYMAVHISA-N 380.245 4.662 30 40 GJEB CCOc1ccc(-n2c(C)cc(/C=N\NC(=S)Nc3ccccc3)c2C)cc1 409186516 DDSPRFDKZOHFGB-HAHDFKILSA-N 392.528 4.813 30 40 GJEB COc1cccc(/C=N/Cc2ccccc2)c1OCc1ccc(C(=O)O)cc1 409187116 MGCRGYDYZDCUSY-BUVRLJJBSA-N 375.424 4.592 30 40 GJEB C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 4081865 XSNMCQGNVPSIQM-PPOWDTIZSA-N 384.516 4.575 30 40 GJEB biogenic COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1 4189372 ABOQERGRBXORKG-LIUKBUMOSA-N 396.874 4.571 30 40 GJEB CC[C@H](C)Oc1c(Cl)cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1OC 4739400 KCCZZFBZJUWHMP-DQAKUKQTSA-N 377.828 4.880 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)c2ccc(C)cc2)nnc1-c1ccccc1OC 6076771 CMVZWWRUZGCRDL-MRXNPFEDSA-N 393.512 4.812 30 40 GJEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C#N)cc1 6845623 KGXRZVFMZYZZOF-UHFFFAOYSA-N 376.485 4.516 30 40 GJEB C=CCn1c(-c2ccc(OCC)cc2)cs/c1=N\C(=O)Nc1ccccc1 35682898 DAFMJLZBFBWVCX-LNVKXUELSA-N 379.485 4.934 30 40 GJEB Brc1ccccc1/N=C\c1ccccc1I 408552710 UUYQSSULXGEUMQ-SXGWCWSVSA-N 386.030 4.804 30 40 GJEB COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 1531383330 FOKZJAMRONBXLW-ZVHZXABRSA-N 389.842 4.608 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)cc1 832528 ZXERYGUUDWNXMN-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846825 FFEDBGCLGPHNIL-WHVWYTALSA-N 390.564 4.998 30 40 GJEB biogenic CCCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 4368710 BJMCTEWOENZVFI-NRFANRHFSA-N 394.519 4.895 30 40 GJEB CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 5835935 IOFKUAUPYGMVFK-QHCPKHFHSA-N 398.462 4.776 30 40 GJEB COc1ccc(Cl)cc1/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C 8334572 NSLBZBAGBZXZDW-YDZHTSKRSA-N 381.863 4.901 30 40 GJEB Cc1oc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(C#N)c1C 8983175 DABQXYDKDZLSKB-UHFFFAOYSA-N 389.786 4.566 30 40 GJEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2ccc(C#N)cc2)cs1 31676168 CSJZUPYGHQYXOB-UHFFFAOYSA-N 377.469 4.895 30 40 GJEB CCN(C(=O)c1cc(C)n(Cc2ccccn2)c1C)[C@H](C)c1ccc(C#N)cc1 56222345 YFXMYIGZJOHYSU-GOSISDBHSA-N 386.499 4.643 30 40 GJEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1 101315336 SFSJUPHOHNFSES-OACQNMCBSA-N 396.874 4.571 30 40 GJEB CC1(C)C=C(O)[C@H]([C@H](C#Cc2ccccc2)C2=C(O)CC(C)(C)CC2=O)C(=O)C1 102473382 IGTTWKKYQJDBTO-JTSKRJEESA-N 392.495 4.913 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccccc3F)cc2)c1 408589004 COLLSYJAMVPVIW-YDZHTSKRSA-N 380.375 4.864 30 40 GJEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccccc1Cl 408754448 UNRXZFZPWLOGIQ-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB COc1cccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c1OC 5556210 URQMXAWHDYNERJ-BHGWPJFGSA-N 390.468 4.822 30 40 GJEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 7018300 SLKIZWVIJVEESR-BONVTDFDSA-N 378.847 4.894 30 40 GJEB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2cccs2)cc1 12925917 WFIGVOHPHITTNY-KKSFZXQISA-N 376.481 4.601 30 40 GJEB CCCC1=C(c2ccc(O)cc2)N(c2ccc(O)cc2)NC1=C1C=CC(=O)C=C1 13121898 UOSWGERPQQOSHS-UHFFFAOYSA-N 386.451 4.583 30 40 GJEB in-vitro N#CCSCC(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 40134447 HTNHVZHCMPGMKE-UHFFFAOYSA-N 379.510 4.596 30 40 GJEB O=C(c1ccccc1)N1C(=S)N=C(Nc2ccccc2)/C1=N/c1ccccc1 104311620 GLYOZFTXIJVGAC-GFMRDNFCSA-N 384.464 4.668 30 40 GJEB CCc1ccc2c(c1)/C(=N/Nc1ccc(C(C)C)cc1)C(=O)N2C1CSC1 223725577 NPZRDQHOMUQNNC-FLFQWRMESA-N 379.529 4.651 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253508602 ZZCLFVCHZVPTRZ-HPHHNTGJSA-N 396.575 4.869 30 40 GJEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC 409103953 XPZQBBAGAKZGMB-NUGSKGIGSA-N 387.789 4.997 30 40 GJEB O=C1CSC(=S)N1/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409334743 XLSFISOHKREYSR-ZVBGSRNCSA-N 399.928 4.537 30 40 GJEB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 1102607 FLHOMHATGIKCCI-SECBINFHSA-N 381.284 4.821 30 40 GJEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)c(OC)c1 1440577 HUSYYBPNMLKJNC-QHCPKHFHSA-N 386.451 4.817 30 40 GJEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccc2c(c1)OCO2 2434635 LMKAUGIOPZPMFU-UHFFFAOYSA-N 383.407 4.631 30 40 GJEB C=CCn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033469 GXOTZKQCCWYXHA-CQSZACIVSA-N 396.288 4.505 30 40 GJEB Cc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ncnn32)cc1 4520766 OSHXQSBOVXMEIY-HRAATJIYSA-N 390.874 4.656 30 40 GJEB C=CCn1c(COc2ccccc2OC)nnc1SCc1ccc(C)cc1 8317362 PXOCMRJDOLRJLQ-UHFFFAOYSA-N 381.501 4.652 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc(F)cc1 18089499 DVMRNCHNWCMWFX-ZHQJDRHOSA-N 378.447 4.651 30 40 GJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1cccc(Cl)c1Cl 20009904 COGNGIWZYAGOOL-UHFFFAOYSA-N 388.254 4.829 30 40 GJEB C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)s1 39989306 FJLBZZMTRRTALQ-CYBMUJFWSA-N 377.535 4.654 30 40 GJEB C=CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(Cl)c3)nc2c1 226344346 ZBLHMBXHOKMZRB-UHFFFAOYSA-N 391.652 4.989 30 40 GJEB CCOc1cc([C@@H]2N=C(SC)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 408732469 VISWWZWIGXBJPO-NRFANRHFSA-N 396.512 4.934 30 40 GJEB C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2Cl)c1 1660031663 UQGFYFCGRNGBBH-UHFFFAOYSA-N 399.874 4.856 30 40 GJEB Cc1ccccc1OCc1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1 2204884 JQRIJGORFQHOBC-UHFFFAOYSA-N 387.483 4.893 30 40 GJEB CCC(=O)Nc1cccc(C(=O)/C=C/c2cc(Br)ccc2OC)c1 4649215 WZRZUAQHORWSBK-VQHVLOKHSA-N 388.261 4.702 30 40 GJEB CCc1ccc(/N=C2/S/C(=C/c3cccc(OC)c3O)C(=O)N2CC)cc1 4680395 XQNGBCHXMXKYGP-UBIDFSEFSA-N 382.485 4.587 30 40 GJEB Cc1cc(N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc12 5602369 GFOBFRCQEOZLLZ-VXLYETTFSA-N 385.221 4.660 30 40 GJEB Cn1c(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc2ccccc21 7343372 YLYFDYUKJNEJRN-SRZZPIQSSA-N 395.806 4.841 30 40 GJEB CCOC(=O)/C(=N\Nc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 15906238 OBGLFWMBGKGUOH-NJNXFGOHSA-N 399.922 4.583 30 40 GJEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCC[C@@H]2C)C1=O 20649345 FNCSVANLNYWTRD-VOMLJKFNSA-N 393.483 4.782 30 40 GJEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cc3ccccc3o1)C2=O 20663678 OMYLUXSFAJYHLK-BKUYFWCQSA-N 377.440 4.987 30 40 GJEB O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)OCCCO2 32905248 JSIXBPGMZUVEJW-UHFFFAOYSA-N 375.449 4.562 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916064 WEMMMOPGBRUKBZ-IJGUOSJHSA-N 392.543 4.823 30 40 GJEB C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 219804550 KRBCJNLLSDHJLL-UHFFFAOYSA-N 392.480 4.740 30 40 GJEB C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224958952 LJPWQWJGFCTQOA-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB FC(F)(F)Cn1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)cs2)n1 225391195 IISYKKNQDUDNAR-IFRROFPPSA-N 385.802 4.668 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=C1/S/C(=N/c2ccc(F)cc2)NC1=O 4106792 SGNUBYLFRZJILF-CPNJWEJPSA-N 381.476 4.626 30 40 GJEB Fc1ccccc1/C=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4478007 OQMLHQIPRXSIEJ-BUVRLJJBSA-N 399.433 4.944 30 40 GJEB Cc1nc2cc(/N=C\c3cc([N+](=O)[O-])ccc3O)ccc2n1Cc1ccccc1 4725870 AROWRXXAWPNFSD-QRVIBDJDSA-N 386.411 4.757 30 40 GJEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)cc1Cl 5879561 INMGEOBKJLDCNR-SRZZPIQSSA-N 399.790 4.741 30 40 GJEB COc1cc(C(=O)/C=C/c2cc(Br)ccc2F)cc(OC)c1OC 7058223 LZBXKRMHKDMUBM-QPJJXVBHSA-N 395.224 4.510 30 40 GJEB O=C(/C(=N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 12566244 IZFVSONJDLDNKQ-LONOGQQXSA-N 391.814 4.954 30 40 GJEB O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OC(=O)C3CC3)ccc21 13768823 BSHFWPWPNXKOJK-IDUWFGFVSA-N 375.207 4.925 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccc(C(F)(F)F)cc1)c1cc3c(cc1N2)OCO3 18200316 BUSJQFAAKASJGC-LJQANCHMSA-N 387.357 4.999 30 40 GJEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@@H](CC[C@H]4/C(C)=N/O)[C@H]3CC[C@@H]2C1 27345227 BSLCVENCLGLBCE-MCPFFNFNSA-N 389.536 4.606 30 40 GJEB Cc1ccc(C(=O)C2=CN(c3ccccc3)c3cc(F)ccc3S2(=O)=O)cc1 32984331 LOUZKYKHEHPMTK-UHFFFAOYSA-N 393.439 4.784 30 40 GJEB C=C(Br)CSc1nc2scc(-c3cccs3)c2c(=O)n1C 58364603 KVJOCMVWBAJQMP-UHFFFAOYSA-N 399.360 4.724 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O 208532100 WGUHAAPGVPCVSR-UNOMPAQXSA-N 380.513 4.686 30 40 GJEB COC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 408909836 HQAVXROXPNZQJW-NMSSZPRHSA-N 394.496 4.794 30 40 GJEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)S2)cc1 1093091 IGMMFIQXRACZJD-HMMYKYKNSA-N 393.512 4.577 30 40 GJEB N#CCSc1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3352796 GZFUXBPGFOVZDP-UHFFFAOYSA-N 399.475 4.858 30 40 GJEB CCSc1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)s1 3544081 WRLVRDHFHPRPHR-XNTDXEJSSA-N 391.587 4.623 30 40 GJEB N#CCCN(C(=O)CSc1nc(-c2ccccc2)cs1)c1ccccc1F 5971810 CPTHMBQNYSGLGV-UHFFFAOYSA-N 397.500 4.988 30 40 GJEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccn1)n1c(nc3ccccc31)N2 7496109 UOXMEDQXGVLLKT-XDHUDOTRSA-N 392.462 4.847 30 40 GJEB Cc1ccccc1OCc1ccc(/C=N/n2c(S)nnc2-c2cccs2)o1 36611377 CMUUTUNXNCLNBU-RGVLZGJSSA-N 396.497 4.658 30 40 GJEB COc1ccc(/N=C2/S/C(=C\c3ccccc3O)C(=O)N2CC(C)C)cc1 97466980 JWPPZSHCDZFPLS-NXCZOFCGSA-N 382.485 4.661 30 40 GJEB O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(Cl)cc1 102662957 HCWSTWLTLNJASD-LYBHJNIJSA-N 382.250 4.791 30 40 GJEB S=C(N/N=C\c1cccn1-c1cccc(Br)c1)Nc1ccccc1 409020925 VVPDEWJFERELJO-MOSHPQCFSA-N 399.317 4.560 30 40 GJEB CCOc1cc(/C=N/Nc2nc(C)c(C)s2)ccc1OC(=O)c1ccccc1 409027024 QTZJUDCDBHOYOU-LPYMAVHISA-N 395.484 4.824 30 40 GJEB COc1ccc2nc(Cl)c(/C=N/Nc3nc4ccccc4nc3Cl)cc2c1 4648784 GNHFMSDYUMUSFT-LSHDLFTRSA-N 398.253 4.939 30 40 GJEB O=C(O)CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)n1 12377786 HYMLXODFFHUXNP-YHYXMXQVSA-N 398.821 4.713 30 40 GJEB N#CCSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1 44085469 XCEIZRNIRLMEOG-UHFFFAOYSA-N 384.302 4.977 30 40 GJEB CCn1c(=O)c(/C(C)=N/c2cccc(Br)c2)c(O)c2ccccc21 101161047 UHDUKWAVOWHFJV-CIAFOILYSA-N 385.261 4.630 30 40 GJEB Cc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C 103713625 RUHLDIOFKNRPLE-MAVBTGMRSA-N 395.528 4.709 30 40 GJEB C#CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 216818747 VXQYEJPMMRAMQI-UHFFFAOYSA-N 397.627 4.611 30 40 GJEB C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 224868411 JGONKHHJEBYBTH-UHFFFAOYSA-N 379.481 4.744 30 40 GJEB C[C@@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)C1 225867978 SAYLVYYNDHXYQY-CHWSQXEVSA-N 377.319 4.779 30 40 GJEB CCCc1cc(N2CCN(c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N 1472976 VYQRQZCVQOMNOC-UHFFFAOYSA-N 395.510 4.638 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(F)cc1 2217271 AAWUNGPDZNDRID-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc(OC(F)F)cc1 3245409 CGWVXTXLPXJVRC-YSURURNPSA-N 397.406 4.609 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3F)c2C#N)C1 4070196 IPSRPFNIQNOYIT-VIFPVBQESA-N 393.281 4.898 30 40 GJEB C=CCn1cnnc1S[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 6589842 BJTFDOZQUFHFFQ-IBGZPJMESA-N 378.501 4.553 30 40 GJEB Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1C1CC1 12550182 VJTRSXYHDBNVGN-UHFFFAOYSA-N 378.501 4.678 30 40 GJEB Cc1c(C#N)c(N)nc2c3c(sc12)NC1=C(C(=O)CCC1)[C@@H]3c1cccs1 20267512 PCVVQIKPUHKWKE-HNNXBMFYSA-N 392.509 4.685 30 40 GJEB O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1cccc(Cl)c1 22344516 VWGNSMHMLLPBRE-CMDGGOBGSA-N 378.859 4.621 30 40 GJEB N#Cc1ccc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)cc1 71890587 FWRQKXUXKMOFHJ-HXUWFJFHSA-N 388.446 4.517 30 40 GJEB Cc1cc(C)c(NC(=O)C[C@@H]2S/C(=N/c3ccccc3C)N(C)C2=O)c(C)c1 101651190 MDFCMRHYWBXYAS-CCWVLBSLSA-N 395.528 4.510 30 40 GJEB C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224655632 RFSZQZXSBMKUMN-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB C=CCOc1c(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cccc1OC 408526236 ADWBRMULDNWLQN-PDGQHHTCSA-N 399.443 4.636 30 40 GJEB COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 408872963 PYELLAITXCWIPH-NVMNQCDNSA-N 397.887 4.732 30 40 GJEB O=[N+]([O-])c1cc(N/N=C/c2sc(Cl)c(Cl)c2Cl)cc([N+](=O)[O-])c1 4793549 PYLWLUUKPIYAER-SYZQJQIISA-N 395.611 4.971 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)N=C(Nc1nc3ccccc3s1)N2 5906214 RFROMTHAXRSRMI-LJQANCHMSA-N 392.459 4.555 30 40 GJEB O=C(Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccccc1 6111385 WVGZHJZZMIGWRE-QRVIBDJDSA-N 396.398 4.841 30 40 GJEB biogenic COc1ccc(-c2csc(/C(C#N)=N/Nc3cccc(Cl)c3)n2)cc1OC 6406980 DGKADEHJOJDJHF-BUVRLJJBSA-N 398.875 4.820 30 40 GJEB COc1ccccc1[C@@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2 13058631 HCDAUHHLGLDGTO-OAHLLOKOSA-N 397.544 4.577 30 40 GJEB COc1cc(OC)cc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3o2)c1 32620471 AGOXXSFKCVFYFB-GRSHGNNSSA-N 386.407 4.664 30 40 GJEB O=C(/C=C/c1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc2c(c1)OCO2 40146075 VXFUTHXMOMBNEJ-BQYQJAHWSA-N 387.222 4.804 30 40 GJEB C(=N/Nc1nc(-c2ccccc2)c2ccccc2n1)\c1ccc2nccnc2c1 46085298 WMKFMWSDHQFXPP-CVKSISIWSA-N 376.423 4.686 30 40 GJEB CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OC 408755070 YENNVMRNCFTJRB-GZTJUZNOSA-N 388.876 4.639 30 40 GJEB CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 408960496 MJBYRTQFEOITPL-KJSANLLDSA-N 377.513 4.911 30 40 GJEB C=CCN1C(=O)N/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 409125524 FXZCYZRTNUXXFV-PXLXIMEGSA-N 398.462 4.806 30 40 GJEB COC(=O)c1ccc(Cn2cc(/C=N/c3ccccc3OC)c3ccccc32)o1 409389097 AJDZVDOJDCPYKX-ZMOGYAJESA-N 388.423 4.828 30 40 GJEB COCc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)c1C#N 1089491 ACVLKVLTLSZPAF-UHFFFAOYSA-N 381.284 4.690 30 40 GJEB C[C@@H]1Oc2ccccc2C=C1/C=N/Nc1ncnc2sc3c(c12)CCCC3 2419438 FSLTZOADLQUASY-DKZNWEEVSA-N 376.485 4.832 30 40 GJEB CN(C)/C=N/C(=S)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 3133248 HNKXEUPWGWKMFS-WUJFOHIQSA-N 385.842 4.803 30 40 GJEB Cc1cccc(O)c1/N=C/c1cc(Br)cc(Br)c1O 4411953 JJGXBSUYRAOHPI-REZTVBANSA-N 385.055 4.682 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F 4869770 RXTOYZWXQSFLSG-SGNDLWITSA-N 395.474 4.533 30 40 GJEB Cc1oc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)c(C#N)c1C 10118907 CKJQGLTZYQJWMK-BRJLIKDPSA-N 380.879 4.953 30 40 GJEB COc1ccc(/C=N\Nc2nc3ccccc3nc2-c2ccccc2)c(OC)c1 16944520 FGXYWIRKHMNKQI-IWIPYMOSSA-N 384.439 4.760 30 40 GJEB O=C1COc2ccc(C(=O)/C=C/c3ccc(-c4cccs4)cc3F)cc2N1 84442262 XKWFCJMJJUQVKG-FNORWQNLSA-N 379.412 4.781 30 40 GJEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccccc1Cl 101315265 FHZZHPHDGIXIOR-OACQNMCBSA-N 396.874 4.571 30 40 GJEB CCCCCCC[C@@]1(C)NC(=O)N(Cc2nc(-c3ccccc3)oc2C)C1=O 102727672 IISSJMMHSMJBRE-JOCHJYFZSA-N 383.492 4.821 30 40 GJEB CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118916040 ZZCLFVCHZVPTRZ-COPZKKGDSA-N 396.575 4.869 30 40 GJEB Oc1ccc(Br)cc1/C=N/c1c(-c2ccco2)nc2ccccn12 704766 BWZDWPREJIFTQN-RGVLZGJSSA-N 382.217 4.813 30 40 GJEB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC 995708 JLBIHUBIKAOCFA-PKNBQFBNSA-N 382.485 4.558 30 40 GJEB Cc1cccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c1 2453588 WXKVPZGOXLHPRO-UHFFFAOYSA-N 386.480 4.707 30 40 GJEB C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F 2965475 HEGHOPOVQNLTNF-MELADBBJSA-N 389.355 4.722 30 40 GJEB N#Cc1c(O)nc(SCc2cccc(Br)c2)nc1-c1ccccc1 8844182 MVQBNIPGVNKOGU-UHFFFAOYSA-N 398.285 4.776 30 40 GJEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1Cl 9332903 YSMYZLOGZSIYAB-QKKBWIMNSA-N 390.874 4.656 30 40 GJEB C=CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618370 AIEHPJDZTCWYBF-UHFFFAOYSA-N 379.416 4.673 30 40 GJEB C#Cc1cccc(NC(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)c1 58310503 OHPZIWXVBDYVCF-OAQYLSRUSA-N 392.499 4.704 30 40 GJEB CCCCc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59250106 NMDMGNWWGOAOQU-KGENOOAVSA-N 391.309 4.972 30 40 GJEB N#CCc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 225302381 SJYNQMINEIYYOQ-UHFFFAOYSA-N 375.950 4.626 30 40 GJEB N#CC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc2)CC1 225904632 ORCOOYRJOHJAPF-SFHVURJKSA-N 393.918 4.746 30 40 GJEB COC(=O)c1sc(NC(=O)c2cccc3c(Cl)cccc23)c(C#N)c1C 408629315 WOUFRXBHPOOAHD-UHFFFAOYSA-N 384.844 4.774 30 40 GJEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c1O 408907998 CZIGQEQLJMUKCM-FFXWWKDOSA-N 396.512 4.969 30 40 GJEB COC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1 409066542 LNELZMHAFQMESZ-BHGWPJFGSA-N 389.333 4.593 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3C)c(C#N)cc2c1 976339 DSTDDTQLUOMAPK-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB Cc1noc(/C=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c1[N+](=O)[O-] 7467958 MTKLWTKBYQGFQO-ZHACJKMWSA-N 384.395 4.936 30 40 GJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)O)c3)c2C)cc1 12363621 XJWXCFHDVSXBIN-ZVHZXABRSA-N 390.439 4.720 30 40 GJEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccc1Br 12603741 IUJDTZVOOSYHTE-OINPPHAGSA-N 390.281 4.531 30 40 GJEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 20637741 SVKNHKIMZFFJKB-RXVVDRJESA-N 380.407 4.510 30 40 GJEB O[C@@H](c1ccc2ccccc2c1-c1c([C@@H](O)[C@@H]2CO2)ccc2ccccc12)[C@@H]1CO1 95611697 XSHBWGANXOEJEI-LIOHBJMPSA-N 398.458 4.524 30 40 GJEB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCOCC2)cc1 225774068 CBMRASHUULGXJK-UHFFFAOYSA-N 392.499 4.588 30 40 GJEB CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)ccc1O 1069525 JVFXHPBANCXJCF-JOCHJYFZSA-N 386.451 4.904 30 40 GJEB Cc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(C#CC(C)(C)O)cc2)cc1 1441166 LEHMVARVLVQURD-HXUWFJFHSA-N 396.581 4.562 30 40 GJEB COc1ccc(/C(C)=N/NC(=S)Nc2ccc(Cl)cc2Cl)c(OC)c1 4897805 VCDQWJFOAFNFRJ-UFFVCSGVSA-N 398.315 4.721 30 40 GJEB CCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O 4953678 RLTKXTNDESFAPX-OIKXKXGOSA-N 375.494 4.521 30 40 GJEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)N(C)C)c3C)C2=O)c2ccccc21 9422425 QOGQLJUVZVNFLC-UDWIEESQSA-N 390.439 4.646 30 40 GJEB COc1ccccc1/C=C1\S/C(=N\c2ccccc2C(F)(F)F)NC1=O 13788268 HIBIPDOQLNXDRW-GDNBJRDFSA-N 378.375 4.606 30 40 GJEB CCSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608448 OFHHMGGTIHEQBK-BFUOFWGJSA-N 382.533 4.782 30 40 GJEB C#CC[C@@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1ccccc1 95441694 QJJMPEAPJQHGRG-JOCHJYFZSA-N 386.499 4.941 30 40 GJEB CCCCCCCCCCCCCCCON1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 104132315 VXJMRTBXUCTOBF-XSDIEEQYSA-N 391.552 4.948 30 40 GJEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C 408591475 UGSYYPJLMHMGPO-FOKLQQMPSA-N 392.415 4.843 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1cc(C)ccc1C 408910337 KBYDEXKBULKIJG-QNQNADBQSA-N 379.529 4.993 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2C)C2=C(CCCC2=O)N1 876513 AJGHMWNFLRJQSL-QHCPKHFHSA-N 386.495 4.910 30 40 GJEB Cc1cccn2c(=O)c(/C=N/c3ccccc3F)c(Nc3ccccc3F)nc12 2306251 WFMAHVCHDRFEMH-DHRITJCHSA-N 390.393 4.775 30 40 GJEB COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2O)cc1 4104679 NWEANQPEFZILBL-UKTHLTGXSA-N 382.456 4.823 30 40 GJEB biogenic,in-vitro CN(C)c1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)cc1 5520027 OSOKXYUDEFHGNU-YBEGLDIGSA-N 391.418 4.663 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3)c2C#N)C1 5976729 SXEZVRAQOUHHGZ-HNNXBMFYSA-N 396.512 4.566 30 40 GJEB Cc1cc(Cl)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O 6275782 UPAFXTXOKSQCKX-BHGWPJFGSA-N 398.812 4.960 30 40 GJEB Cc1ccc(C[C@H](C#N)Sc2nnc(COc3ccccc3Cl)n2C)cc1 6587627 RKDHUSFYZAJXLO-MRXNPFEDSA-N 398.919 4.583 30 40 GJEB C=CCOc1c(Br)cc(CNCc2ccccc2Cl)cc1OC 8470102 CAOKZLMJWIQTQQ-UHFFFAOYSA-N 396.712 4.966 30 40 GJEB CCSc1nncn1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611499 ZBISNWRNIVMKIC-DNTJNYDQSA-N 397.287 4.751 30 40 GJEB C(=N\Nc1nc2ccccc2nc1-c1ccccc1)\c1ccc2nccnc2c1 96817320 VFGDFQDEFJYBBS-YSMPRRRNSA-N 376.423 4.686 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 102488966 SXCKMXHQHGRCOG-LFVOPCPISA-N 399.874 4.570 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=N\c1ccccc1I 408959569 BCUSDJZHIMHXPF-MOSHPQCFSA-N 390.268 4.950 30 40 GJEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)c1 717355 QZXDBPZAHOWTSE-HSZRJFAPSA-N 386.451 4.817 30 40 GJEB N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@@H]1c1ccc(Cl)cc1 4733797 NIQUINPNXZDKJD-FKBYEOEOSA-N 399.881 4.720 30 40 GJEB O=C1C=C(Nc2ccc(I)cc2)C[C@H](c2ccccc2)C1 5224654 WEHWHBIOJADTLP-AWEZNQCLSA-N 389.236 4.734 30 40 GJEB CN(C)CCC(/C=C/c1ccccc1)=N\Nc1c(F)c(F)c(F)c(F)c1F 5888831 MWGDFAJJQLTKSL-HOEIACMUSA-N 383.364 4.815 30 40 GJEB O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCCCC2)c1ccc(Cl)cc1 27028227 ONRXNQOZZVQWJO-UHFFFAOYSA-N 383.874 4.844 30 40 GJEB CC(=O)Nc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 408844519 JVVRBCFCLPSRED-FRKPEAEDSA-N 386.043 4.514 30 40 GJEB CCC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O 4937619 ZFWKTTDPEDHJEY-PPPMLJSVSA-N 395.528 4.638 30 40 GJEB CCn1c2ccccc2c2cc(/C=N/n3c(S)nnc3-c3ccccn3)ccc21 5809738 RBCGCPHRMXILTP-ZVHZXABRSA-N 398.495 4.639 30 40 GJEB C=CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1Cl 6490406 UXKWANRZIAARMF-LGMDPLHJSA-N 390.936 4.637 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C(\N=N\c2ccccc2)c2ccc([N+](=O)[O-])o2)cc1 8386666 GJNUUPUZKFKPSG-MFJHHFTMSA-N 380.320 4.654 30 40 GJEB Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc2c(c1C#N)CCCCC2 20607234 KLGMDYGZRXGFBM-UHFFFAOYSA-N 394.525 4.968 30 40 GJEB CCCN(CCC)c1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 32777914 GDWGAJCJDYNIHL-YRNVUSSQSA-N 378.472 4.540 30 40 GJEB Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 33321054 INKSDMUMZGWOMG-INIZCTEOSA-N 387.277 4.946 30 40 GJEB F[C@H]1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100483885 ULIPEIAHXQESPD-NHYDCYSISA-N 398.065 4.717 30 40 GJEB CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3cc(Cl)ccc32)cc1 101102062 HCMNRPVUNUEHEJ-NMWGTECJSA-N 386.879 4.632 30 40 GJEB COc1c(Cl)cc(/C=N/OCc2ccccc2C#N)cc1Br 408593469 PRINESOUMKELDI-AWQFTUOYSA-N 379.641 4.533 30 40 GJEB COc1ccccc1/C=C1/Oc2c(ccc3c2[C@H](CC(C)C)CC(=O)O3)C1=O 1081802653 QSAHKSFATIFXCT-SKCQWOFPSA-N 378.424 4.750 30 40 GJEB CC(C)(C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1 793929 NSLMEOYAZBCMJU-DJKKODMXSA-N 393.237 4.817 30 40 GJEB CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccccc2)C1=O 4888229 LXUPXRDFYSTHDO-IIGRLWHBSA-N 379.529 4.938 30 40 GJEB CC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3cc(Cl)ccc3C(C)=O)S2)cc1 6262501 AZRXMUFXVWISBL-VCHYOVAHSA-N 398.871 4.637 30 40 GJEB C=CCOc1cccc(-c2nc(O)c3c(n2)Oc2c(cccc2OCC)C3)c1 6748570 QQMYVGZPBXBHMS-UHFFFAOYSA-N 376.412 4.509 30 40 GJEB O=C(/C=C/c1cc(Br)cs1)c1ccc(N2CCCC2=O)cc1 7548130 VWPJUSKXIFJHHG-BQYQJAHWSA-N 376.275 4.534 30 40 GJEB Cc1cccc2cc3c(nc12)S/C(=N/C[C@H]1CCCO1)N(Cc1ccco1)C3 13116447 NWBNUVKWUXHDII-KGNHYALCSA-N 393.512 4.779 30 40 GJEB C/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 15354007 JEMWDSXKXUDJRO-DHUSVAKKSA-N 384.435 4.554 30 40 GJEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1CCOc1ccccc1Cl 46084837 SFBJKTFNIVHHHS-DAFNUICNSA-N 391.858 4.582 30 40 GJEB N#Cc1s/c(=N/C(=N/c2ccccc2)c2ccccc2)n(-c2ccccc2)c1N 103653710 NZSHYUJYQGYHFH-GEECTANVSA-N 395.491 4.672 30 40 GJEB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(Sc2ccc(C#N)cn2)nnc1-c1ccco1 105714537 LVDNYGLKTYQJQP-YQFWSFKMSA-N 391.500 4.953 30 40 GJEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 408837776 NIODCXCJLDNXJZ-GJYPPUQNSA-N 380.831 4.767 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)S2)c1C 408854945 LCISGDVAMKGLJQ-UDWIEESQSA-N 375.497 4.995 30 40 GJEB CC[C@@H](C)/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 647634 JKMCTACYXBBJMQ-CYGNYLSHSA-N 376.485 4.660 30 40 GJEB Cc1ccc(C)c(C2=C/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)c1 1578439 YWJZSRVIMBUSQE-PGMHBOJBSA-N 397.478 4.919 30 40 GJEB N#Cc1ccc(Nc2nnc(-c3cc4cc(Cl)ccc4oc3=O)s2)cc1 4562252 AQKRDKDYHAYSBA-UHFFFAOYSA-N 380.816 4.580 30 40 GJEB Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ncc(C)s2)cc1 8557807 PIVYBLBGLGXSQY-MRXNPFEDSA-N 396.493 4.604 30 40 GJEB COc1cc(C2=NN/C(=N\c3cccc(C)c3C)SC2)ccc1OC(F)F 15404222 QJFGPZNOKBYOCC-UHFFFAOYSA-N 391.443 4.642 30 40 GJEB CCCCCCCCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21 17782664 FEGZIQUMDAWFNU-UHFFFAOYSA-N 393.487 4.715 30 40 GJEB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc3ccccc23)C2=C(CCCC2=O)N1 19898413 ZIFXIGPCCUGMGV-JOCHJYFZSA-N 375.468 4.759 30 40 GJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)S2)c1 59459433 PPSCXGZAWQHQPE-SXGWCWSVSA-N 387.848 4.757 30 40 GJEB CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1cccc(C(=O)O)c1 100311164 KWQYYTFOCZYWBC-PMDYYOJLSA-N 386.860 4.662 30 40 GJEB CCCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OCC 408531297 PGVDUJPULHKHMZ-RGEXLXHISA-N 382.485 4.766 30 40 GJEB Cc1[nH]c2ccccc2c1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531384861 MJLYFCJYDOCJQQ-MFKUBSTISA-N 378.435 4.735 30 40 GJEB FC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccccc1Br 1565662383 RXOINSNRBXWKMM-UHFFFAOYSA-N 387.064 4.999 30 40 GJEB CCOc1ccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 2366554 UXCILHKQXKKNLU-JMIUGGIZSA-N 393.299 4.822 30 40 GJEB COc1ccc(C(=O)Cn2c(C(=O)/C=C/c3ccccc3)nc3ccccc32)cc1 4419798 AVRWJSHUUIQGJM-LFIBNONCSA-N 396.446 4.824 30 40 GJEB aggregator CC1(C)CC(=O)C([C@@H]2c3ccccc3Nc3c2cnc(Cl)c3C#N)=C(O)C1 5054213 AWXCZVKLUALJBY-QGZVFWFLSA-N 379.847 4.997 30 40 GJEB O[C@@H](c1ccc(/C=N/Nc2nc3ccccc3s2)o1)C(Cl)(Cl)Cl 5447406 NDEDGFRNRBDSGR-KXKLRXOYSA-N 390.679 4.739 30 40 GJEB C=C(C)Cc1c(OCC(C)=O)ccc2c1c1ccnc3c4ccccc4c(=O)n2c13 8792528 GXPVKFCMXXOAAQ-UHFFFAOYSA-N 396.446 4.678 30 40 GJEB biogenic Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(C#N)c3)c2n1 15913172 GVQLHRVKGORFSB-UHFFFAOYSA-N 386.238 4.739 30 40 GJEB CCOc1cc(/C=C2/S/C(=N/c3cccc4ccccc34)NC2=O)ccc1O 35647658 ZYUJYONCQHAKMO-DEDYPNTBSA-N 390.464 4.836 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C#N 225759287 WPMOOCFIPOIJLY-UHFFFAOYSA-N 376.456 4.633 30 40 GJEB N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 409099989 SQTMIDKHRALNMV-WOJGMQOQSA-N 389.798 4.569 30 40 GJEB N#C[C@H](NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 1127854162 NDUPEPUXMUSGMT-BZSNNMDCSA-N 376.353 4.719 30 40 GJEB CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC(=O)O)n2)cc1 796135 AKECOMMWDFICFB-UHFFFAOYSA-N 396.390 4.605 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc(CC)c3c(c2C#N)CCCC3)cc1 2690411 OELRPRVBXUIVLK-UHFFFAOYSA-N 395.528 4.524 30 40 GJEB CCOC(=O)c1cc(C#N)c(Sc2ccc(OC)cc2)nc1-c1ccccc1 3104572 JFXFEZWCSAABOM-UHFFFAOYSA-N 390.464 4.957 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccc(C)c1 5296007 JGDNKCLZYQGKSQ-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB Clc1ccc(N/N=C/Cc2nnnn2-c2ccc3ccccc3c2)cc1Cl 6943309 CUMFZCOTNAKFSM-LSHDLFTRSA-N 397.269 4.763 30 40 GJEB COc1cc(/C=N/Nc2nc3ccccc3n2C)ccc1OCc1ccccc1 7343334 WPRGKQRCWIABNO-BUVRLJJBSA-N 386.455 4.607 30 40 GJEB C=CCOc1cccc(NC(=O)COc2ccc(CC)cc2Br)c1 8904946 REDKJAPQWDVERD-UHFFFAOYSA-N 390.277 4.594 30 40 GJEB CCn1cc(/C=C2/Oc3c(ccc(OC(C)=O)c3C)C2=O)c2cc(OC)ccc21 9423378 WFKRXARQHFPDCS-UFFVCSGVSA-N 391.423 4.520 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccccc1C(F)(F)F)c1cc3c(cc1N2)OCO3 18196764 JJIILSFUQZCACL-IBGZPJMESA-N 387.357 4.999 30 40 GJEB CCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O 27840398 RLTKXTNDESFAPX-KZFPWWDTSA-N 375.494 4.521 30 40 GJEB C=CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225684078 FFVHGHNWBQCLAK-LJQANCHMSA-N 398.528 4.849 30 40 GJEB CC(C)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(N(C)C)C2=O)cc1 1023246 SFNNTUZPGWJYHK-QNQNADBQSA-N 395.528 4.802 30 40 GJEB Cc1ccc(C2=[N+]([O-])[C@]3(CCCC/C3=N\Nc3ccccc3)N(O)C2(C)C)cc1 7813291 YIRGNOBDSYOGJW-JHZJBCQPSA-N 392.503 4.516 30 40 GJEB O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 13477801 VJIXRKTWQPKOFH-YDZHTSKRSA-N 386.363 4.824 30 40 GJEB CCCN(CCC)c1nc(NCc2ccccc2)c(C#N)c2c1CN(CC)CC2 13764200 AAQOLOLYQFPZEA-UHFFFAOYSA-N 391.563 4.570 30 40 GJEB C[C@@H]1CC/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 33523802 ONLDEJGGZKGRQR-CNKCWCKNSA-N 378.384 4.969 30 40 GJEB OC(CC#CCN1CCCC[C@H]1c1cccnc1)(c1ccccc1)c1ccccc1 61991228 OMEHVOYIAJGHCF-SANMLTNESA-N 396.534 4.938 30 40 GJEB biogenic CCOc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)cc1 102511266 YJPHBALNFNVMCL-HOGKFDNTSA-N 399.446 4.712 30 40 GJEB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 223474384 IKGMJKKJAJERNQ-YDZHTSKRSA-N 379.464 4.846 30 40 GJEB N#Cc1cc(Oc2cccc(-c3cnc4ccccc4n3)c2)c([N+](=O)[O-])cc1C#N 860048 WYGFINUNWFLJKL-UHFFFAOYSA-N 393.362 4.741 30 40 GJEB Cc1ccc2cc(C)c(N/N=C/c3ccc(Br)c([N+](=O)[O-])c3)nc2c1 5571158 PVFUBJJYIUNRFE-KEBDBYFISA-N 399.248 4.968 30 40 GJEB CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 6962590 DQPSYDGIMWNRLL-CJLVFECKSA-N 381.453 4.604 30 40 GJEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCc3onc(-c4cccc(F)c4)c3C1)C2 19460755 LRGFJVHGWRQMCM-HJPURHCSSA-N 380.463 4.748 30 40 GJEB CCCc1cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)sc1C 23938121 NLPMHYWASUSIMH-OAHLLOKOSA-N 384.501 4.501 30 40 GJEB O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2ccccc2O)c(Cl)c1 38162568 ZPKRKBMDYSXWGA-FSJBWODESA-N 376.799 4.597 30 40 GJEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(OC)cc2)NC1=O 408815075 IBUDLLDJINXGBO-BOPFTXTBSA-N 388.876 4.639 30 40 GJEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1C(C)C 408913548 VKTNVAYWECQFLN-FMCGGJTJSA-N 377.448 4.967 30 40 GJEB O=C(C[N+]1(CCc2ccccc2)CCOCC1)c1ccc(-c2ccccc2)cc1 4777982 KZBCHNCHWOMJTQ-UHFFFAOYSA-N 386.515 4.626 30 40 GJEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccco1 6363068 XHWPDVDXHYNSTR-UHFFFAOYSA-N 376.279 4.779 30 40 GJEB N#Cc1cccc(NC(=O)Cn2c(SCc3ccccc3)nc3ccccc32)c1 12968866 OMELWBMFIJSYJO-UHFFFAOYSA-N 398.491 4.839 30 40 GJEB Cc1ccc(-c2nc(N/N=C3/C(=O)Nc4c(C)cccc43)nc3ccccc23)cc1 46085399 FLEQRUQXANXKSO-UHFFFAOYSA-N 393.450 4.682 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCC#N 408815935 TVWMWDNDHFDDPU-RGEXLXHISA-N 376.437 4.558 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)c(C)c1 408913115 SPGZMRGXXXTISV-WYMPLXKRSA-N 390.439 4.668 30 40 GJEB CCOc1ccccc1/C=C1\SC(=Nc2cc(C)c(C)c([N+](=O)[O-])c2)NC1=O 408991882 RJIDVRXQCOETOG-ZDLGFXPLSA-N 397.456 4.502 30 40 GJEB C=CCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 8658151 MCFNGCTZBXTKIJ-UHFFFAOYSA-N 376.460 4.708 30 40 GJEB N#Cc1cccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)c1 12794435 WJCXVRMZUFECQJ-LDADJPATSA-N 381.460 4.941 30 40 GJEB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](O)(C#Cc4ccccc4)[C@@H]3CC[C@@H]12 13400008 LCZMXUQOODFQOP-VYEZYMNQSA-N 378.556 4.783 30 40 GJEB C=CCc1cc(/C=N\c2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)O 408858550 TUPXCUDLXFEDSM-YVNNLAQVSA-N 394.254 4.945 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)c(C)c1 408935758 NOZLISYZHQTCBQ-ZVHZXABRSA-N 376.456 4.948 30 40 GJEB COc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3OC)cc1)OCO2 409105321 MSFVCXUENWRXSY-QRVIBDJDSA-N 377.396 4.975 30 40 GJEB CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)S2)cc1 6026826 FEPBVFMNRLGRDR-YBEGLDIGSA-N 388.876 4.508 30 40 GJEB COc1ccc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1OC 6590007 WBKOTEVVEWGNGR-ZHACJKMWSA-N 382.847 4.747 30 40 GJEB N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CCN(c2cccc(Cl)c2)CC1 16741559 BFYBZDFNKWTPME-UHFFFAOYSA-N 399.281 4.847 30 40 GJEB C=CC/N=C/[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)OCC)C1 25953096 DAPOQCKOSVNOIF-FVQJWRHTSA-N 396.512 4.539 30 40 GJEB CCCCN(C)Cc1c(O)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O 28182439 WZHNZYLKAMYZLN-XKZIYDEJSA-N 390.483 4.732 30 40 GJEB Sc1nnc(-c2cccs2)n1/N=C/c1cccc(OCc2ccccc2)c1 28379832 LPXMSWHHMRSLFG-FYJGNVAPSA-N 392.509 4.757 30 40 GJEB CCOc1ccc(/N=C2/NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)S2)cc1 59679080 HKIFCKJQXCPXMK-DEDYPNTBSA-N 391.496 4.777 30 40 GJEB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=N\Nc1cccc(C(F)(F)F)c1 104192077 ARZWFGBRXXXGPD-HAHDFKILSA-N 380.757 4.549 30 40 GJEB C=CCOC(=O)c1cc(Cl)c(OC(=O)c2cccc(Cl)c2)c(OCC)c1 226307184 RMWWUNOCOFAYQV-UHFFFAOYSA-N 395.238 4.954 30 40 GJEB N#CCc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408908616 WRTHPJMOUZGEBZ-CJLVFECKSA-N 383.407 4.840 30 40 GJEB Cc1cc(O)nc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)n1 409107924 YEKQKAHJVYDLOB-UFFVCSGVSA-N 396.497 4.797 30 40 GJEB FC(F)(F)c1ccccc1OCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 605000868 QEWXOBTUTACWDB-UHFFFAOYSA-N 395.265 4.901 30 40 GJEB C=CCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 981713 VCXMCICUKAZVKJ-RVDMUPIBSA-N 378.375 4.718 30 40 GJEB Oc1ccc2ccccc2c1/C=N/n1cnnc1SCc1ccc(Cl)cc1 1917931 GAFCYYUDLJYQAX-FOKLQQMPSA-N 394.887 4.965 30 40 GJEB Brc1ccc(-c2n[nH]cc2/C=N/Nc2ccc3ccccc3n2)cc1 4600557 OXQBBQQLEKURJZ-SRZZPIQSSA-N 392.260 4.833 30 40 GJEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccccc2F)cc1 4828012 MRFSKCHLULWRNQ-VZUCSPMQSA-N 389.382 4.703 30 40 GJEB COc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(OC)c1OC 5416092 GTTWZJGJJWJKPW-LFVJCYFKSA-N 376.456 4.753 30 40 GJEB CCOc1cc(/C=C/C(=O)c2cccnc2)cc(Br)c1OCC 6614123 HCOSGUHFHXIRJH-BQYQJAHWSA-N 376.250 4.538 30 40 GJEB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 7620966 BXSGHGTZBPRIOM-ZSOIEALJSA-N 393.346 4.505 30 40 GJEB C=CCOc1ccc(NC(=O)COc2ccc(CC)cc2Br)cc1 8104436 AUDFPHCDBCHXNC-UHFFFAOYSA-N 390.277 4.594 30 40 GJEB COc1ccc(SCCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 10219568 BUMONHFLRUXSBK-UHFFFAOYSA-N 395.509 4.811 30 40 GJEB C=CCn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 13031014 XBABXIXOEOZVDE-QFIPXVFZSA-N 381.479 4.936 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3cn(C)nc3C)C[C@@H]12 17079757 GMZISXRHSBJUQJ-DJTQYWCHSA-N 390.527 4.856 30 40 GJEB Cc1ccc(CN2CCN(/N=C/C(Br)=C\c3ccccc3)CC2)cc1 20170966 DVVNCGSTTLCXHD-OIYSJFPPSA-N 398.348 4.534 30 40 GJEB CCCCCCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 105346327 BLBKGNPATXGROE-UHFFFAOYSA-N 387.476 4.580 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)cc1 408961374 BSYPYVPUKYWXDI-CPNJWEJPSA-N 376.437 4.847 30 40 GJEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccccc2Cl)C1=O 408975225 KRHWAUOMXWHGMM-XDHOZWIPSA-N 381.859 4.834 30 40 GJEB C=CCn1c(SCc2ccc(C#N)cc2Cl)nnc1-c1cccc(OC)c1 1097708 XMXLAGAKYQFADH-UHFFFAOYSA-N 396.903 4.957 30 40 GJEB Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)sc1C 4311754 WZPJGBCCFJDLTA-GOSISDBHSA-N 390.464 4.543 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1OCC 4918595 VQKRHHLOQQMXAL-DENIHFKCSA-N 382.431 4.544 30 40 GJEB CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 6294497 ILURQYJOMAKTOE-QFIPXVFZSA-N 399.446 4.868 30 40 GJEB Cc1cc(Cl)ccc1OCc1nnc(SCC#N)n1C1CCCCC1 8645941 ZLFDMZRNPKOHLR-UHFFFAOYSA-N 376.913 4.940 30 40 GJEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)cc1 8654647 FBKIWJPEMNYXJP-UHFFFAOYSA-N 393.443 4.630 30 40 GJEB aggregator CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1OC 13286416 IWLSVRIDRZBOMP-KAXIZBKFSA-N 397.525 4.689 30 40 GJEB Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)S2)c1 59459434 UFYRSCTVMYQBBX-SXGWCWSVSA-N 387.848 4.757 30 40 GJEB CCCCCCCCCC(=O)Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 97944223 MASRKHDGLAXGPY-UHFFFAOYSA-N 393.578 4.820 30 40 GJEB COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N=C3C)cc(OC)c1OC 100129773 VKBANRSLKQGZDV-CQSZACIVSA-N 392.455 4.631 30 40 GJEB Cc1cccc(OCCC(=O)N2/C(=N\Cc3ccccc3)SCC2(C)C)c1 105085891 NWFXMCOGUOTGIZ-XTQSDGFTSA-N 382.529 4.674 30 40 GJEB C=CCOc1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 225692001 GLJVMHHUXZVOPM-GOSISDBHSA-N 395.572 4.974 30 40 GJEB COC(=O)c1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 408815901 VVFOUUUBYJBGSJ-BKUYFWCQSA-N 383.245 4.777 30 40 GJEB COCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 408943768 YVKLGMOAETUCGT-NJMAKWBESA-N 391.496 4.808 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3F)c2C#N)C1 1431922 VKZHQUSZXZFGSG-CYBMUJFWSA-N 386.492 4.927 30 40 GJEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 3154711 QYCRCOXGSNNIPG-NRFANRHFSA-N 397.515 4.730 30 40 GJEB C=C[C@@H]1C[N+]2(Cc3ccccc3)CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 4520895 RTHFVUKMXCJYPA-HJFWVHQLSA-N 385.531 4.880 30 40 GJEB FC(F)(F)c1cnc(N/N=C/c2ccccc2Br)c(Cl)c1 6047057 MEKLNEVTZVUDKI-CGOBSMCZSA-N 378.579 4.962 30 40 GJEB CCOc1cccc(/C=N/C2CCN(Cc3ccccc3)CC2)c1OC(F)F 6600869 KADXMOXVTSMSSH-MFKUBSTISA-N 388.458 4.770 30 40 GJEB CC/C(=N/Nc1nc(-c2ccccc2)c(CC(=O)O)s1)c1ccc(C)cc1 6782390 ASVAJTZOGQWQNY-QJOMJCCJSA-N 379.485 4.972 30 40 GJEB COc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccccc1 8368717 KRDOHRMVRYPTHA-HZHRSRAPSA-N 395.480 4.830 30 40 GJEB N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1F 8783533 LMFDWCSQAVPUFY-UHFFFAOYSA-N 381.407 4.629 30 40 GJEB CCCCc1ccc(/N=C2/C(=O)N(CN3CCCCC3)c3ccccc32)cc1 33401609 CZZKYHHKUMQJIT-WJTDDFOZSA-N 375.516 4.940 30 40 GJEB C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccc(OC(F)(F)F)cc1 36394676 OPGNYMRAKIIWGC-GFCCVEGCSA-N 380.391 4.692 30 40 GJEB O=C(/C=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc2c(c1)OCO2 84383674 OHMLUDBPGACMCM-XVNBXDOJSA-N 386.329 4.516 30 40 GJEB N#Cc1ccc(-c2ccc(O[C@@H](C(=O)N3CCCC3)c3ccccc3)cc2)cc1 89823201 KIZYBKLRYPKBQO-XMMPIXPASA-N 382.463 4.968 30 40 GJEB CC(C)N1c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2[C@@H](C)CC1(C)C 223542009 ZUHWKPSXGILSIQ-GIEPYWIESA-N 381.480 4.936 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCC(C)C)S2)cc1 408600177 ACFNODAGNHLTQV-UNOMPAQXSA-N 382.485 4.622 30 40 GJEB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2ccc(O)cc2)n1 409113701 GAUXJPGKUGOJRP-JAIQZWGSSA-N 380.429 4.609 30 40 GJEB N#CC(Cc1ccccc1)(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F 3337980 SVNLKCUMSYXTKL-UHFFFAOYSA-N 376.406 4.899 30 40 GJEB CC(C)c1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)s2)cc1 7988536 ZLEUWRVMYAURDD-AWEZNQCLSA-N 392.484 4.606 30 40 GJEB N#CCCn1cc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc21 8231340 IKEPCNRQLZHIFW-VAWYXSNFSA-N 381.479 4.884 30 40 GJEB N#Cc1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)cc1 10475652 LXKSWXPGHDMAIG-UHFFFAOYSA-N 386.274 4.587 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 13896659 QUBFPSQSFSVIKN-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB COc1ccccc1CN/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 20762144 YNQVHLIESFOZCI-JFLMPSFJSA-N 387.458 4.961 30 40 GJEB C[C@H](OC(=O)c1sccc1-c1ccccc1)C(=O)Nc1sccc1C#N 32775983 CVZHAOASIGLMGH-LBPRGKRZSA-N 382.466 4.532 30 40 GJEB Cc1ccc(N/N=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 35228747 GFFBRGIJTZTOLF-HAVVHWLPSA-N 377.429 4.675 30 40 GJEB Cc1[nH]c([C@@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2)nc1-c1ccccc1 95408497 DOCPBDWIYAKOHF-FQEVSTJZSA-N 385.471 4.820 30 40 GJEB C=CCn1c2nc(C)c3c(c2c(=O)n1-c1ccccc1)CC[C@@H](c1ccccc1)C3 170622727 QEOJAZYIVDVGFB-HXUWFJFHSA-N 395.506 4.954 30 40 GJEB COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 408931327 KBHUKRWFQCGTCO-JHRGVAJVSA-N 386.904 4.981 30 40 GJEB C#C[C@@H](NC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C(C)C 1671597598 XVJAASQNXFAAQP-OAHLLOKOSA-N 382.316 4.820 30 40 GJEB O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@H]1n1nnc2ccccc21 1079186 SEWNZRWNLRKDFC-JLTOFOAXSA-N 377.494 4.936 30 40 GJEB CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1cccc(Br)c1 3140935 WCWAFOVENDBHFK-RGVLZGJSSA-N 385.217 4.780 30 40 GJEB COc1ccccc1NC(=S)N/N=C/c1ccc(Oc2ccccc2)cc1 3304404 OWRRBJPMLBAKKP-PXLXIMEGSA-N 377.469 4.808 30 40 GJEB CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)cc3OC)S2)cc1 5376434 HSYDSKHSGYHUIY-MOSHPQCFSA-N 396.512 4.938 30 40 GJEB C=CCn1c(SCC(=O)N[C@H](C)c2cccc(Cl)c2)nc2ccccc21 5619162 OCMFLNZBOJZKBM-CQSZACIVSA-N 385.920 4.845 30 40 GJEB N#CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Cl 9296204 NZKPDWZNLRKWFC-AQTBWJFISA-N 398.871 4.521 30 40 GJEB COCCCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 4241921 UVWYVBGFMLXGEG-UHFFFAOYSA-N 398.919 4.799 30 40 GJEB O/C(=N\c1cccc2ccccc12)NCc1nc(-c2ccc(Cl)cc2)no1 5352638 UQQJYSSJQZNHAO-UHFFFAOYSA-N 378.819 4.879 30 40 GJEB COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(C(C)C)C2=O)c1OC 20169560 MADKLKNSKZCTRI-WJACMBERSA-N 382.485 4.716 30 40 GJEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(OC)c4ccccc34)C2=O)s1 33622923 GTJQFEBTAJVBND-LVCUWPMGSA-N 395.509 4.680 30 40 GJEB CC(=O)[C@H]1[C@H](c2ccc(OC(C)C)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35494211 WTCVWOQOQLSCBX-HJOGWXRNSA-N 397.478 4.590 30 40 GJEB C/N=C(/c1ccc(C)cc1)n1c(=S)nc(-c2ccc(C)cc2)n(C)c1=S 101570159 RELYFPCUSSMMOR-FXBPSFAMSA-N 380.542 4.889 30 40 GJEB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccc(Br)cc1 1093689 WSROOFDIWJCSPC-RGVLZGJSSA-N 399.248 4.910 30 40 GJEB N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nnc(C2CC2)s1 3253449 BXCZFGWADBNKHE-UHFFFAOYSA-N 378.482 4.691 30 40 GJEB C/C(=N\OCC(=O)N(Cc1ccccc1O)C1CCCCC1)c1cccs1 4860494 UKFIKNZYJCLTQP-CJLVFECKSA-N 386.517 4.556 30 40 GJEB COc1ccc(/C=C/c2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1OC 8534289 BMBBHEANEKDWIB-PABFRNLHSA-N 375.428 4.907 30 40 GJEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C(C)(C)C)C1=O 18086357 HXMJPQWFSMGKJN-GLEDVZQVSA-N 395.528 4.754 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)N1C 38361088 DUZFNOGLKZKIST-KDWIEBRMSA-N 381.457 4.699 30 40 GJEB COc1ccc(/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1OC 100303810 DVIYCUSRMOBUGF-BUVRLJJBSA-N 375.424 4.982 30 40 GJEB CC[C@H]1CS/C(=N\c2ccc(C(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)N1 4880806 VEUBQPUOJHJVAV-RIWGIVCCSA-N 396.512 4.702 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc(F)cc3)c2C#N)C1 5383716 HEYXUZVGAPQKKC-GFCCVEGCSA-N 392.521 4.711 30 40 GJEB Cn1cc(/C=C2/Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c2ccccc21 9422331 LMPPMRVKJFWXLO-RGVLZGJSSA-N 375.424 4.746 30 40 GJEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)ccc2c1=O 12610385 YCUHOVGPNZIGRR-UHFFFAOYSA-N 393.512 4.795 30 40 GJEB C=CCOC(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)nc1C 17112255 BXNYQBQQFSCXLC-UHFFFAOYSA-N 392.889 4.915 30 40 GJEB Cc1cccc2cc(-c3cc(-c4cccc(N)c4)c(C#N)c(N)n3)c(Cl)nc12 20507179 WDXCLACPTDJXFK-UHFFFAOYSA-N 385.858 4.962 30 40 GJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccccn2)o1 408991592 OKTXUBXTXHDLNU-PTNGSMBKSA-N 397.456 4.857 30 40 GJEB Cc1cc(Br)ccc1/N=C\c1cccn1-c1cccc(C(=O)O)c1 409096070 JFHWBNZIGVLXAY-MTJSOVHGSA-N 383.245 4.997 30 40 GJEB COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC(F)F)cc1 5936794 YNGFNAMCCWZSQN-XBXARRHUSA-N 383.188 4.955 30 40 GJEB C=CCn1c(SCc2cccc([N+](=O)[O-])c2)nc2scc(C3CC3)c2c1=O 6602811 FMMVVJITKLLBNL-UHFFFAOYSA-N 399.497 4.722 30 40 GJEB Cc1csc([C@H](C#N)C(=O)CSc2nc3cc(Cl)ccc3s2)n1 6606001 QVNOMVGUJZBOGS-SNVBAGLBSA-N 379.919 4.683 30 40 GJEB C=CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OC 8116387 JRNCUHUYKUHJMW-UDWIEESQSA-N 376.250 4.782 30 40 GJEB N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 8981172 DXZQXEISLNIZAC-UHFFFAOYSA-N 392.261 4.607 30 40 GJEB CCCC/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CCCC 12632141 JQYGCAWMPJWBFE-XOMICKMZSA-N 395.956 4.569 30 40 GJEB N#Cc1ccc(C(=O)N2CCCS/C2=N\c2cccc(C(F)(F)F)c2)cc1 14361528 QLBBZIZUXPBRAJ-MOHJPFBDSA-N 389.402 4.844 30 40 GJEB COc1ccc([C@@H]2CCCCCN2[C@@H](C)C(=O)Nc2sccc2C#N)cc1 25053990 BEVUJTQTVZTCHY-KXBFYZLASA-N 383.517 4.573 30 40 GJEB Cc1c(N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc(C#N)cc1[N+](=O)[O-] 58407796 XJXJRDZEGBDLGF-IBGZPJMESA-N 387.443 4.509 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N 225764709 PSOHAAWTAWCZNY-UHFFFAOYSA-N 396.874 4.978 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc(C)cc1 409089061 HDBHYIJEUVYTCH-NDENLUEZSA-N 377.440 4.627 30 40 GJEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccc(C)c1 2237311 LEGGGQAHOJNXJC-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 4994007 CTNFUZGODPVREL-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB CCOc1ccc(N(CCC#N)C(=O)COc2c(Cl)cccc2Cl)cc1 25683309 PMGDALATHZVNCU-UHFFFAOYSA-N 393.270 4.718 30 40 GJEB O=C(/C=C/Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 33778092 JDWWDRSZHVFZJK-BQYQJAHWSA-N 377.271 4.639 30 40 GJEB COc1ccc(N/C=C/C(=O)c2c(Cl)c(Cl)cc3c2OCCO3)cc1 100364548 NLMRXKYPAQRSPJ-VOTSOKGWSA-N 380.227 4.582 30 40 GJEB CCOc1ccc(NC2=C(c3ccc4c(c3)OCO4)C(=O)c3ccccc32)cc1 100946342 DHTPBIJMVALBDV-UHFFFAOYSA-N 385.419 4.991 30 40 GJEB Cc1cc(/C=N/n2cnnc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408851632 DTPWLJHFKHTGQT-LIMNOBDPSA-N 375.259 4.663 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)nc1 408896558 RYEWKUQNRJKGEM-SSDVNMTOSA-N 382.807 4.668 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)S2)cc1 408949316 AVUKIXYREJMZRF-RGQKVHTQSA-N 393.512 4.599 30 40 GJEB COc1cc(Br)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1O 3148924 AOGNCFAROCIEFU-FYJGNVAPSA-N 389.293 4.904 30 40 GJEB COc1ccc(CCNc2oc(Cc3cccc4ccccc34)nc2C#N)cc1 5180267 XVMKVVUFVZCOIJ-UHFFFAOYSA-N 383.451 4.953 30 40 GJEB Sc1nnc(-c2cccc(Br)c2)n1/N=C/c1ccc(Cl)cc1 6191562 GYWAYECSTAPADX-GIJQJNRQSA-N 393.697 4.532 30 40 GJEB CCOc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1OC 12918676 MMLUIDKNZWMEMY-MDZDMXLPSA-N 399.874 4.770 30 40 GJEB COc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 408815676 XUZVYYBKNYQZLV-OYKKKHCWSA-N 378.403 4.602 30 40 GJEB COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc(Cl)c1 408937143 IHMMUCPKZHXFPT-VIZOYTHASA-N 392.238 4.897 30 40 GJEB ON=Cc1ccc(OCc2ccc(Br)cc2Br)cc1 409187178 NBNDTOARVYFQPV-UHFFFAOYSA-N 385.055 4.599 30 40 GJEB O=C(O/N=C/c1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)cc1 1384877 WBFCBBBQFRTPBV-CIAFOILYSA-N 381.844 4.907 30 40 GJEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C/C(=N/O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@]12C 4803181 LTIHRQTXIOHGBO-SDKLXXBISA-N 376.541 4.687 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 5600797 FFPIUMLITGWPFI-LDADJPATSA-N 390.420 4.536 30 40 GJEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccncc1 6317566 CJSXXAJNQJGGNA-UHFFFAOYSA-N 387.306 4.581 30 40 GJEB N#Cc1cccc(COc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)c1 9879477 WQNCAJXWASQOHR-CVKSISIWSA-N 375.859 4.914 30 40 GJEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)NCc1ccccc1 12250953 XWLDVEQGPRRUCU-UHFFFAOYSA-N 393.899 4.682 30 40 GJEB Cc1ccc(/C=C2\Oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3C2=O)o1 13758371 OJVDCSIAJXMREM-JAIQZWGSSA-N 377.352 4.691 30 40 GJEB CN1/C(=C\C(=O)COC(=O)c2ccc(F)cc2Cl)C(C)(C)c2ccccc21 18142250 LOMYHYVTOVUABK-ODLFYWEKSA-N 387.838 4.517 30 40 GJEB CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Br)cc1 18208898 LEMRADVSVTUPBW-GOSISDBHSA-N 394.268 4.607 30 40 GJEB COc1ccccc1/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 408967227 RFOPSLSHPAUNJU-ZVHZXABRSA-N 391.423 4.732 30 40 GJEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1ccc(C)cc1 409061979 KXBNHKIBPVYGCK-WSDLNYQXSA-N 395.484 4.824 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 6562625 PRLQPPZOLHFQRX-KRWDZBQOSA-N 388.250 4.758 30 40 GJEB N#CCCn1cc(/C=C/C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c2ccccc21 11364219 LNXHZJNWEWTYFC-MDWZMJQESA-N 398.466 4.555 30 40 GJEB COc1ccc(-n2c(C)cc(/C=N/N=c3/[nH]c4ccccc4s3)c2C)cc1 17194847 JMMDINWMMQQKEW-LPYMAVHISA-N 376.485 4.580 30 40 GJEB C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@](O)(c1ccccc1)C1CC1 84638123 ZEELQXUDOPHBNZ-FQEVSTJZSA-N 375.921 4.604 30 40 GJEB C/C(=N/c1cccc(OC(F)(F)C(F)F)c1)C1C(=O)c2ccccc2C1=O 100681739 CNJJHJWKNIFEHZ-VROXFSQNSA-N 379.309 4.711 30 40 GJEB CCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc1OCC 408723715 CLNUTRXNAPQQIT-DEDYPNTBSA-N 396.512 4.992 30 40 GJEB C=CCOc1ccc2ccccc2c1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C 408946566 YXKWXAOSVRFGCQ-LTGZKZEYSA-N 396.446 4.847 30 40 GJEB Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(CCc2ccccc2)C1=O 409100598 QMESBYRFYUQCSW-LJUQQBLGSA-N 387.508 4.872 30 40 GJEB COc1cc(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C 575242694 GVDPPMUOKKASPT-UHFFFAOYSA-N 382.222 4.963 30 40 GJEB COc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3C)cc2[N+](=O)[O-])cc1 1052258 IYNAFLKLSFCVRM-OEAKJJBVSA-N 390.395 4.882 30 40 GJEB N#Cc1ccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 3555965 OUHUJZCESNWVCM-UHFFFAOYSA-N 375.811 4.800 30 40 GJEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(N(CC)CC)cc2)cc1 5793606 CELXXGPRZOKHBD-PXLXIMEGSA-N 395.532 4.735 30 40 GJEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(Cl)c3)c2C#N)C1 6824569 WPUXTTBDHBLPQY-JTQLQIEISA-N 389.933 4.525 30 40 GJEB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 7059127 RQLZBALDKDJLRD-GFCCVEGCSA-N 396.541 4.884 30 40 GJEB O=[N+]([O-])c1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)cc1 8811606 OMFMFWYDXFFYCU-YDZHTSKRSA-N 395.846 4.951 30 40 GJEB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1 32491648 QOIOTQDGUJTFRO-UHFFFAOYSA-N 382.463 4.933 30 40 GJEB Oc1ccc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F 59475482 OQSSGBRWIYIYGT-FOKLQQMPSA-N 384.785 4.652 30 40 GJEB CCn1c(N/N=C/c2ccc(OCc3ccccc3C#N)cc2)nc2ccccc21 408692652 RQFJNEVSQXBMSK-WGOQTCKBSA-N 395.466 4.953 30 40 GJEB CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 408938542 KVHHJGURORPGSP-CXUHLZMHSA-N 386.245 4.653 30 40 GJEB C=CCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 409039570 HALLJJYOVDAUBK-OPVMPGTRSA-N 381.295 4.850 30 40 GJEB N#CCC(=O)Nc1ccc(C(=O)OCc2ccccc2Oc2ccccc2)cc1 5812739 DWKMJFOIXVOLBH-UHFFFAOYSA-N 386.407 4.688 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1O 8108944 DDFNUIKBSOWWCF-WQRHYEAKSA-N 399.443 4.505 30 40 GJEB COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)c1 13776521 ZXPXSSYUXSBMJT-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB O=C1/C(=C/c2cccnc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 100492456 VMDYTJZMWKJKAS-MZURAFEFSA-N 385.492 4.754 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1OC 102802320 LAVOCDLYJPUHBJ-MRJHHRETSA-N 393.483 4.697 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 103087418 UTEYLDJKUDAULP-WOOAAIBNSA-N 399.874 4.570 30 40 GJEB C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 216898936 SAUUHPSIJZPXHF-WEVVVXLNSA-N 391.250 4.771 30 40 GJEB N#CCc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1 225367941 PKWQSTSMIMXWJP-UHFFFAOYSA-N 393.940 4.765 30 40 GJEB CCOC(=O)Cn1c(C)c(/C=N/c2sc(C)c(C)c2C#N)c2ccccc21 408817247 XMFVIZQUSNULPI-FOKLQQMPSA-N 379.485 4.813 30 40 GJEB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(SC)cc2)C1=O 2814926 YEYJNUYSVFYUAB-FOWTUZBSSA-N 383.494 4.562 30 40 GJEB N#C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12 4492535 QKMWZJJOEMMGRF-IWAAJCSBSA-N 395.418 4.724 30 40 GJEB C/C(O)=N/c1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2 5066190 LBOJXKGWOCJNCC-QGZVFWFLSA-N 383.814 4.735 30 40 GJEB CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 8084851 GOCFWWJABJKNNN-XQNSMLJCSA-N 395.480 4.776 30 40 GJEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NC[C@@H]4CCCO4)o3)o2)c1 33027048 URXGAUDNPJGBOR-INIZCTEOSA-N 393.443 4.593 30 40 GJEB CCN(CC)c1ccc(/C=C/C(=O)c2cc3ccc(OC)cc3oc2=O)cc1 71328607 KXXGLECWQGZCEC-MDWZMJQESA-N 377.440 4.544 30 40 GJEB Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2C)cc1C 101649836 OUXMUNNKWZMJCN-KGNHYALCSA-N 395.528 4.510 30 40 GJEB C=CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(SC)cc1 224975240 IDCAQOGQHKXKTD-UHFFFAOYSA-N 398.347 4.552 30 40 GJEB O=C1CSC(=S)N1/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12 409333371 SDTMQIUNNASXNC-NKVSQWTQSA-N 399.928 4.537 30 40 GJEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 979989 HCUPMWCSNJJCAV-PDGQHHTCSA-N 383.856 4.589 30 40 GJEB COc1ccc(C)cc1/N=C1\SCCCN1C(=O)COc1ccc(C)c(C)c1 2633657 GGIFKHQBKJPKJU-FCQUAONHSA-N 398.528 4.652 30 40 GJEB FC(F)(F)c1cnc(NN=C2CCN(Cc3ccccc3)CC2)c(Cl)c1 4863906 ZLSJBHGCZLTDLZ-UHFFFAOYSA-N 382.817 4.818 30 40 GJEB C[C@@]1(/N=C/c2ccccc2O)C[C@@H](/N=C/c2ccccc2O)c2ccccc2O1 5359689 KESRYMUTLYVDLO-MVJLVUNDSA-N 386.451 4.876 30 40 GJEB Cc1ccc(C)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(-c4cccnc4)nn32)c1 5937189 QPPVYAFGBJHWSC-OAQYLSRUSA-N 399.498 4.615 30 40 GJEB CCc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c2cccs2)cc1 10447607 NTZANOKXKKNFPR-OPAMFIHVSA-N 390.508 4.855 30 40 GJEB Cc1ccc(N/N=C(/CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 18193634 FSARXLBWZGUXPT-QLYXXIJNSA-N 377.875 4.895 30 40 GJEB C=CCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 19972681 LYBVJYKPASUPGC-UHFFFAOYSA-N 383.875 4.606 30 40 GJEB CCOc1ccc(/C=C2/S/C(=N\c3ccc(N(CC)CC)cc3)NC2=O)cc1 110706759 LCZHCCWJJQWVJO-HMMYKYKNSA-N 395.528 4.823 30 40 GJEB CCN1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1c(C)cccc1C 408906153 HUWBUYPPLYRKIT-GDBHHJMHSA-N 391.496 4.830 30 40 GJEB Cc1ccc(/N=C/c2cc(Br)c(I)o2)cc1 408955583 XTTQSARICDYHFY-VIZOYTHASA-N 390.018 4.706 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)S2)c1 409075898 YYYRSBOPCKDLFG-UYRXBGFRSA-N 381.476 4.626 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N/c1ccc(F)cc1 409244957 LFBLEAAZQSMVHB-ADWDSYRSSA-N 395.253 4.805 30 40 GJEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(O)c(Cl)c1 409298355 MVVSLSBLJRVZIX-UHFFFAOYSA-N 381.863 4.685 30 40 GJEB Oc1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 1083811030 OHBUHRAGQXDUEF-UHFFFAOYSA-N 392.164 4.875 30 40 GJEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)c(OC)c1 1078356 QLFDMIUARHUFIZ-QFIPXVFZSA-N 386.451 4.817 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)C1 1413061 JMOKCAZNCATAPL-CYBMUJFWSA-N 383.473 4.931 30 40 GJEB Cc1ccc2nc(-c3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3O)oc2c1 4125146 SAWILFFGDGCAER-SSDVNMTOSA-N 389.367 4.873 30 40 GJEB CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 4703521 GKKYVZNPTZLJDF-RGVLZGJSSA-N 385.316 4.603 30 40 GJEB Cc1cc(N(CCC#N)CCC#N)ccc1/C=C\C(=O)Nc1cccc(Cl)c1 5732470 NIDJPUMVSVJERZ-NTMALXAHSA-N 392.890 4.934 30 40 GJEB C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1 8363398 WYNPTHSIEAIZFB-SUJVXMJXSA-N 376.481 4.713 30 40 GJEB O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1cc3c(cc1N2)OCO3 18196744 FFXZGWOCBZLPBQ-IBGZPJMESA-N 398.256 4.742 30 40 GJEB C[C@H](/C(O)=N/c1ccccc1C#N)N(C)Cc1ccccc1N1CCCCC1 82094226 PQZUCVDMMIEZLJ-GOSISDBHSA-N 376.504 4.657 30 40 GJEB CCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccccc1 100550859 ZXMNHEQMEIEJGC-VXKWHMMOSA-N 391.552 4.991 30 40 GJEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 105410549 DKROTHIIHUFWJN-MFWCJATISA-N 380.447 4.524 30 40 GJEB CN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C(=O)O)cc1 210551781 KJLRKYXFCWKJAJ-NMSSZPRHSA-N 388.448 4.772 30 40 GJEB C=CCSc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 224701909 NFOXEESGGLOTPJ-SAPNQHFASA-N 379.510 4.996 30 40 GJEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCC(C)CC4)o3)o2)c1 39404129 PHIVRXQRHJIPMT-UHFFFAOYSA-N 377.444 4.930 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C)cc1 102801536 GYPXUPXSJYMEGA-JBCNATCCSA-N 377.484 4.997 30 40 GJEB O=C(O)c1nc(Cl)c(Cl)c(N/N=C2/CCCc3ccccc32)c1Cl 103390203 IJJPZHFHQRHJPN-FBHDLOMBSA-N 384.650 4.893 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 253508458 LNURYWGKYJSNOL-ZTXNPEGPSA-N 396.575 4.869 30 40 GJEB Cc1nnc(S)n1/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 408850587 OQNBCVFFDHRKJY-SSDVNMTOSA-N 395.919 4.722 30 40 GJEB C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 3947419 FCWYNTDTQPCVPG-FVLCUVFVSA-N 382.500 4.941 30 40 GJEB endogenous,in-man O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccccc1Cl 5550955 SDNBVHBGPCBISU-ZROIWOOFSA-N 393.693 4.994 30 40 GJEB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc2c(c1)OCO2 5551750 JFVWAQOFEVZCDQ-AUWJEWJLSA-N 393.251 4.614 30 40 GJEB CCCCCCCCC[C@H](C)CC(=O)NCCCN(C)CCCCN(C)C 85972618 RLDPSVAZXJQOAE-QFIPXVFZSA-N 383.665 4.933 30 40 GJEB biogenic COc1ccc(/C=C(/C(=O)c2cccnc2)c2nc3ccccc3o2)cc1OC 95959905 MGKPFYNUZCNQPT-ATVHPVEESA-N 386.407 4.664 30 40 GJEB O=c1oc2ccccc2c(O)c1[C@H](C/C(=N\O)c1ccccc1)c1ccccc1 104168436 JVLKJJUUXZSGTK-ZBCDYPQOSA-N 385.419 4.899 30 40 GJEB Fc1cccc(/N=C/c2cc(Br)c(I)o2)c1 408950131 DOWNRWFDRMKZKC-GIDUJCDVSA-N 393.981 4.536 30 40 GJEB COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)c1C 636693 SWTJEMZOIHJNLT-UHFFFAOYSA-N 399.446 4.652 30 40 GJEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 662084 OPJLWJDMXJLQKM-UHFFFAOYSA-N 389.480 4.668 30 40 GJEB C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 4385049 MATMJCUZTOBSND-QGZVFWFLSA-N 375.472 4.532 30 40 GJEB C=C1C[C@H]2[C@@H]3CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 5167229 WJFDQNDYQVFWKP-DWNQPYOZSA-N 396.527 4.741 30 40 GJEB biogenic COc1ccc(CN/N=C(\C)c2ccc(OC(C)C)c(Cl)c2)cc1OC 20196760 WCRKYJIHTVJZSJ-OEAKJJBVSA-N 376.884 4.658 30 40 GJEB CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Br)c1 20797143 UHMNBZNTNZPTJZ-GOSISDBHSA-N 382.261 4.677 30 40 GJEB CCN1CC[C@](O)(/C=C\c2ccc(C)cc2)[C@H](C(=O)/C=C/c2ccc(C)cc2)C1 59365230 YEYLFNINCAFXLC-UKBJSLCMSA-N 389.539 4.672 30 40 GJEB O=C1C(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 100439789 VHQZNAAKDNUXSH-NHFXJNLRSA-N 389.838 4.966 30 40 GJEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc([N+](=O)[O-])cc3)c2C)c1 408968128 UJNLOCJEUZMRCO-UCQKPKSFSA-N 391.427 4.930 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C#N)C1 997473 UVTZTJIZLXOAHD-CYBMUJFWSA-N 383.473 4.931 30 40 GJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2c1 1354336 WDCLMAQRPZNPEM-MRXNPFEDSA-N 387.508 4.793 30 40 GJEB O=C(NC(Nc1ccc(F)c(F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 2306317 CHRHBPTXJYFIGU-UHFFFAOYSA-N 398.253 4.628 30 40 GJEB CCCCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1 4554540 AQRMGAPSRFSLFM-UHFFFAOYSA-N 387.530 4.542 30 40 GJEB CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 4740326 RPOUJVXKQLCAKN-RJGFPMBASA-N 390.483 4.773 30 40 GJEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1 6586394 FXKMWCZAVYQZPA-OAHLLOKOSA-N 383.879 4.608 30 40 GJEB C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)s1 223899715 MONLRXQEEXLSMX-MRXNPFEDSA-N 385.514 4.766 30 40 GJEB C=CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224959988 UVVDNVSIDGLJEJ-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C#N)c1 225774044 SAEZHHPADHMZMQ-SFHVURJKSA-N 392.499 4.731 30 40 GJEB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccccc1 409290035 QNAXXXQPRZEVLW-UHFFFAOYSA-N 393.368 4.965 30 40 GJEB Cc1ccc2cc(C[C@H](C#N)C(=O)Nc3ccc(F)cc3)c(Cl)nc2c1C 895489 IAAAXCUBFHVWCG-MRXNPFEDSA-N 381.838 4.965 30 40 GJEB O=C(OCC#CCSc1nc2ccccc2s1)c1cc2ccccc2o1 2261174 CFHGCMRHPAZKSS-UHFFFAOYSA-N 379.462 4.995 30 40 GJEB C[C@H]1C(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C(=O)N1c1ccccc1 12775223 KSMGYIBMWAUAPG-KRWDZBQOSA-N 381.435 4.583 30 40 GJEB N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1-c1ccccc1CC2 20100245 QNELDXLBYLUXPX-UHFFFAOYSA-N 389.505 4.512 30 40 GJEB C[C@]12C[C@@H](F)[C@@]3(Br)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(C)O 118932255 YONXONMPECKFJO-ZPNXQJJCSA-N 397.328 4.511 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 225766112 SGPRHJVWTRJOHX-UHFFFAOYSA-N 396.874 4.978 30 40 GJEB CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)ccc1OC 408748512 DHNWEHFFWSULHV-LICLKQGHSA-N 388.876 4.639 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc(F)c1 408815096 RNEHWUDWTWEPNY-UNOMPAQXSA-N 383.444 4.799 30 40 GJEB CC[C@@H](Sc1nc(C)cc(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 2768485 BTKGMEWWYJQZGA-HXUWFJFHSA-N 388.496 4.833 30 40 GJEB Cc1c(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cnn1C 4178718 YXWCFPYLJKIHKI-GQHRSFQLSA-N 390.531 4.765 30 40 GJEB Cc1cc(C)cc(N2C(=O)C[C@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)c1 4944965 RMHYLCCJRHOWFE-GOSISDBHSA-N 389.451 4.560 30 40 GJEB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C#N)C1 17078960 XXZMGUWKZQIIBU-BPUTZDHNSA-N 386.517 4.520 30 40 GJEB N#Cc1cccc(C(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)c1 28221655 KIWUGVNMJCJEDY-UHFFFAOYSA-N 384.370 4.667 30 40 GJEB CCc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 32984102 NFTXZMTWGCAPKP-UHFFFAOYSA-N 389.476 4.899 30 40 GJEB CCCCSC1(SCCCC)N=C(N)[C@@]2(C#N)[C@H]3C=C[C@H](CC3)[C@@]12C#N 57063766 IKXHYTTVFRPNQZ-QFHJOOASSA-N 388.606 4.694 30 40 GJEB COc1ccccc1/N=C(\C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643569 IBKWOLKAEQILPR-PCLIKHOPSA-N 384.435 4.846 30 40 GJEB O=C(NC1CCCCC1)c1c(/N=C\c2ccc(O)cc2O)sc2c1CCCC2 106621390 PNJNWFDFJBODKJ-QRVIBDJDSA-N 398.528 4.851 30 40 GJEB COc1cc(=O)oc(/C(C)=C/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@]3(C)O[C@@H]23)c1C 252515577 LRRJYOPCACBLEA-KLDUGXKXSA-N 386.488 4.588 30 40 GJEB biogenic,in-vitro Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)S2)c1 408962166 WVTYLDYMTWNOQY-ZHZULCJRSA-N 377.513 4.795 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1cccc(Cl)c1 409078288 BMBALJIRCOWKBT-ODLFYWEKSA-N 397.858 4.972 30 40 GJEB Cc1cc(C)c(C#N)c(SCc2nc3cccc(C)n3c2Br)n1 711340 YXDBGERPEBDWSX-UHFFFAOYSA-N 387.306 4.581 30 40 GJEB COc1ccc(-c2nc(SCc3ccccc3Cl)nc(O)c2C#N)cc1 2751089 BGXXBBGEOZNWNX-UHFFFAOYSA-N 383.860 4.675 30 40 GJEB CC(C)c1ccc2nc(SCC(=O)NCc3cccs3)c(C#N)cc2c1 4848984 KHJMXUXHFIYRDE-UHFFFAOYSA-N 381.526 4.700 30 40 GJEB O=C1C=C(Nc2ccc(I)cc2)C[C@@H](c2ccccc2)C1 5224603 WEHWHBIOJADTLP-CQSZACIVSA-N 389.236 4.734 30 40 GJEB COc1ccc(/C=C/c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1OC 8550096 MHCJYEWBDPDPOF-PKNBQFBNSA-N 375.428 4.654 30 40 GJEB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C#N)C1 17078958 XXZMGUWKZQIIBU-IMJJTQAJSA-N 386.517 4.520 30 40 GJEB N#Cc1cccc(COc2cccc(NC(=O)CCC(=O)c3cccs3)c2)c1 32292033 NEGHQAHMUBFTNM-UHFFFAOYSA-N 390.464 4.800 30 40 GJEB CCNC(=S)N/N=C\c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 33659589 UPOXUKMJHLBVNG-IWIPYMOSSA-N 376.529 4.579 30 40 GJEB N#CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 35085884 FJXLIHAWHSAIDO-PEZBUJJGSA-N 399.406 4.700 30 40 GJEB CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccccc2C)o1 36611407 KJDMBZTUBJAFSA-CIAFOILYSA-N 394.456 4.623 30 40 GJEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C)cc1 101284771 DHUNNRKWIQTREH-FQEVSTJZSA-N 382.508 4.779 30 40 GJEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC(=O)[C@@H]32)C1 118923337 YOBSLFBDKZYMSB-HTUSWFFRSA-N 387.520 4.526 30 40 GJEB N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccncc1)CCCC2 3192981 DXNWEWSNJGYZEP-UHFFFAOYSA-N 385.492 4.869 30 40 GJEB O=C(/C=C/c1nnsc1N1CCC(Cc2ccccc2)CC1)c1cccs1 5242884 LOIGCOQHDXMWPH-CMDGGOBGSA-N 395.553 4.955 30 40 GJEB CC1(C)C[C@]2(CCO1)/C(=N/c1ccccc1)N=C(S)N2Cc1ccccc1 5625275 KFJWXPDKDQFIKL-JOCHJYFZSA-N 379.529 4.846 30 40 GJEB CCN(CC)Cc1c(O)cc(C)c2c1O/C(=C\c1cc3ccccc3o1)C2=O 20649926 GUMGBGZMHJHEBG-NDENLUEZSA-N 377.440 4.905 30 40 GJEB biogenic C=CCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(Cl)cc4c3C)cc21 32593380 UPYRBTFQSKZCTN-UHFFFAOYSA-N 396.830 4.558 30 40 GJEB Cc1cccc2cc(C#N)c(SCC(=O)Nc3nc4ccccc4s3)nc12 35288671 QBSSBXNCLGGERS-UHFFFAOYSA-N 390.493 4.755 30 40 GJEB O=C(/C=C(/O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Br)cc1 100244428 MQFSFADSLXOZBH-WEVVVXLNSA-N 395.068 4.907 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1cccs1 1427479 PWCDXDRAQGIELN-SFHVURJKSA-N 379.412 4.670 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1 3098404 HIAKRQQEELZGMZ-OAQYLSRUSA-N 397.515 4.643 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1 3286673 XIEJJTIZXWFZCD-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 3947420 FCWYNTDTQPCVPG-UQWVPHONSA-N 382.500 4.941 30 40 GJEB biogenic,in-man Cc1ccc(C)c2nc(SCC(=O)N3c4ccccc4C[C@H]3C)c(C#N)cc12 4849185 NIBAERSWJNHOKH-MRXNPFEDSA-N 387.508 4.793 30 40 GJEB CC(=O)c1cc2c(cc1N/C=C\C(=O)c1ccc(Cl)cc1Cl)OCO2 6238626 WIFXCPUEUQKWDO-PLNGDYQASA-N 378.211 4.733 30 40 GJEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccncc1)n1c(nc3ccccc31)N2 7496171 VJUNCINGMRSGAV-MHECFPHRSA-N 392.462 4.847 30 40 GJEB CO[C@@H]1CCC[C@@H](C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)C1 12133250 GVZBZKYCQWIPIE-FGZHOGPDSA-N 390.527 4.611 30 40 GJEB O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(Cc2ccncc2)cc1 16401947 AGJHYWXWLRTOGT-UHFFFAOYSA-N 392.256 4.508 30 40 GJEB COc1cc(/C=C/C(=O)N[C@H](C#N)c2cccc(Cl)c2)ccc1OC(C)C 65621811 BBDUNLCEUPZKHH-XSFOEPMVSA-N 384.863 4.530 30 40 GJEB Cc1ccc(C(C)C)c(O)c1NC(=S)N/N=C\c1cc(Cl)ccc1O 104372136 WHSPWYBPWLPSNH-UKWGHVSLSA-N 377.897 4.504 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 792086 PUXIFERRZRBNKP-XIJPWPHISA-N 385.489 4.657 30 40 GJEB COC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C#N)c1C 995694 ZSIQSNLNOVHOJV-GQCTYLIASA-N 395.267 4.674 30 40 GJEB C[C@@H](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 3333143 JMTZUCBDQPSUOJ-AWEZNQCLSA-N 394.525 4.834 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CC 5614180 KMGZQLLDVVJWNH-QFGKFHJGSA-N 384.476 4.717 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1CN1CCCCC1 7715517 SNQQNEGLIBWZCS-JXMROGBWSA-N 395.499 4.594 30 40 GJEB C=CCn1c(COc2ccccc2F)nnc1SC/C=C/c1ccccc1 8231643 NQMXCYZZHKQKLY-DHZHZOJOSA-N 381.476 4.988 30 40 GJEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 59427170 OXMLTLRDWCEWQU-LPYMAVHISA-N 377.400 4.540 30 40 GJEB C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226336675 DBFFUSKWXHUUPC-RMKNXTFCSA-N 391.250 4.771 30 40 GJEB CCN(CC)c1ccc(/N=C/c2ccccc2I)cc1 408551150 LMITVEGBWAQOTA-CPNJWEJPSA-N 378.257 4.888 30 40 GJEB CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 408709798 XDBRALBBXAGUGT-UHFFFAOYSA-N 392.540 4.679 30 40 GJEB Cc1cccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)c1 408753174 IKJKRALAEMARSN-CIAFOILYSA-N 393.403 4.665 30 40 GJEB C=CCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 2624808 UTQCLKQFHGMDEF-UHFFFAOYSA-N 392.893 4.685 30 40 GJEB CN(C)c1ccc(/C=N/OCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 3445730 AIQLGBMQJQWVCG-LFVJCYFKSA-N 389.455 4.534 30 40 GJEB C[C@H]1CCc2c(sc3nc([C@H](C)SCc4ccc(C#N)cc4)[nH]c(=O)c23)C1 7717686 IMKRZZGPECDNIB-STQMWFEESA-N 395.553 4.975 30 40 GJEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccsc2)n(C2CCCCC2)c1C 21672165 BJUZOEBBFZCBTO-UHFFFAOYSA-N 384.549 4.614 30 40 GJEB C=CCn1c(SCc2csc(CC)n2)nc2sc(C)c(C)c2c1=O 23404883 KDJPXRZUGXMFJV-UHFFFAOYSA-N 377.560 4.572 30 40 GJEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(-c2ccccc2C#N)cc1 23627162 ZOJDKNNOPHVQBB-LJQANCHMSA-N 393.494 4.999 30 40 GJEB CCCCCCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc21 32910904 LKNIFTASNSKWFM-NRFANRHFSA-N 386.565 4.763 30 40 GJEB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1OC 38191202 ZPISMYAIZSPSLV-QNQNADBQSA-N 394.496 4.802 30 40 GJEB C/C(=N\c1ccccc1[N+](=O)[O-])c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643574 RZFRKOWBWJWZDV-BUVRLJJBSA-N 399.406 4.745 30 40 GJEB FC(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)[C@H](F)C(F)(F)F 138328964 JQADALFAZGYJDX-UWTATZPHSA-N 382.091 4.667 30 40 GJEB COc1cc(C#N)cc(Br)c1OC(=O)c1cccc2ccccc12 226364682 CFZCGYUWNNNXCV-UHFFFAOYSA-N 382.213 4.702 30 40 GJEB Fc1ccccc1/N=C\c1cc(Br)c(I)o1 408953388 PEBOLMPMBXNQPI-UUASQNMZSA-N 393.981 4.536 30 40 GJEB Cc1ccc2cc(C)c(N/N=C3/C(=O)Nc4c(Cl)cc(Cl)cc43)nc2c1 6755661 UOTGPWXAUZLUDU-UHFFFAOYSA-N 385.254 4.927 30 40 GJEB Cc1ccc(SCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(C)c1 12739044 DLDGNHDFVPBKJM-UHFFFAOYSA-N 377.431 4.582 30 40 GJEB O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(OC(=O)c2ccc(F)cc2)cc1 12957433 DRZVWIVESIGAQA-TYULJFPZSA-N 390.366 4.670 30 40 GJEB CN1/C(=C\C(=O)CSc2nnc(-c3ccccc3)o2)C(C)(C)c2ccccc21 18167422 RAIPELLCDDPAMS-UYRXBGFRSA-N 391.496 4.709 30 40 GJEB C[C@@H](Nc1ccc(F)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 26998129 TWMJOMSOUJPIJY-LLVKDONJSA-N 375.444 4.606 30 40 GJEB COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1ccc(Cl)cc1)=C2 49549727 PXJUIHGJNRMRLS-UHFFFAOYSA-N 385.891 4.848 30 40 GJEB Cc1cc(C)nc(N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 96681279 BMSRLXNVFGTKCQ-NHDPSOOVSA-N 398.308 4.709 30 40 GJEB CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 118919134 ZNSPUNVBZGKQFL-MLVREYFXSA-N 386.576 4.897 30 40 GJEB CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl 626188 VIGRZAHXRXWPDG-GOSISDBHSA-N 383.875 4.851 30 40 GJEB Cc1cc(C)cc(OCCn2cccc2/C=N/N=c2/[nH]c3ccccc3s2)c1 1311833 ZFTNTCSKYCFPHU-HZHRSRAPSA-N 390.512 4.662 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(\C)c2ccc(Br)cc2)cc1 4871751 QOPKYDVYLCIOLT-UDWIEESQSA-N 392.322 4.558 30 40 GJEB CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C(F)(F)F)cc2)cc1 5900427 JREUSZCGDVCTIB-SSDVNMTOSA-N 392.406 4.907 30 40 GJEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 7018298 SLKIZWVIJVEESR-ZUZCIYMTSA-N 378.847 4.894 30 40 GJEB C=CCOc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 14783745 JDMJWEZHINMVNP-UHFFFAOYSA-N 396.668 4.685 30 40 GJEB CCCCc1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 17209563 KBOXXRWDRQDTGG-UHFFFAOYSA-O 392.498 4.509 30 40 GJEB COc1ccc(-c2nc(N/N=C(\C)c3ccc(O)cc3)c3ccccc3n2)cc1 20023550 RXZPMPVCUHRBLJ-CVKSISIWSA-N 384.439 4.847 30 40 GJEB Cc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N3CCCCC3)o2)cc1 27992022 FQARIYUJKAVUDU-LJQANCHMSA-N 376.460 4.754 30 40 GJEB O=C(Oc1ccc(/C=N/c2ccccc2Br)cc1)c1ccccn1 100852750 KHKXEIKTXNSIJJ-LPYMAVHISA-N 381.229 4.814 30 40 GJEB C=CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1OC 237179072 NAFXGQVCSDKTIP-UHFFFAOYSA-N 378.266 4.643 30 40 GJEB O=C(NCc1ccco1)c1c(/N=C\c2ccc(O)cc2)sc2c1CCCC2 408854049 WIYFSMUYDCQSSS-FMCGGJTJSA-N 380.469 4.606 30 40 GJEB CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1 408961544 MYUAEMIUMLMJNI-NFECSFHCSA-N 382.485 4.764 30 40 GJEB COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1O 408964961 JCJCOJXQXIFGLX-RIYZIHGNSA-N 395.267 4.599 30 40 GJEB C=CCOc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409045325 PHLRQSJKJSQAEG-QPJQQBGISA-N 378.675 4.619 30 40 GJEB C=CCc1cc(/C=C2\SC(=S)N(CCC)C2=O)cc(OCC)c1OCC 409352668 XUJBACSGAFSRCU-LGMDPLHJSA-N 391.558 4.824 30 40 GJEB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc(C#N)cc2)c2ccccc2)c1 2635477 OZSHCWFJNPUZOE-QFIPXVFZSA-N 384.435 4.712 30 40 GJEB Cc1ccc([S@@](=O)c2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1 4084399 IEJCMJACDFSCCG-MHZLTWQESA-N 394.883 4.939 30 40 GJEB C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCC)SC1=S 7156081 LURWVNXTIWDNKN-UVTDQMKNSA-N 398.347 4.625 30 40 GJEB CCOc1ccc(/C=C/C(=O)C2=CN(CC)C(=O)N[C@@H]2c2ccc(C)cc2)cc1 12408707 XDWOTNNWLFHHOY-WIJYMUHASA-N 390.483 4.646 30 40 GJEB O=[N+]([O-])c1cccc(-c2cs/c(=N\N=C/c3c(Cl)cccc3Cl)[nH]2)c1 16755501 YXDXQODZDKBBTD-UWVJOHFNSA-N 393.255 4.893 30 40 GJEB C/C(=N\Nc1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1)c1ccncc1 20159945 LPAWKYZNAMNQJF-UFFVCSGVSA-N 393.303 4.635 30 40 GJEB COCc1cc(C)nc(N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1C#N 59433736 ATXHYDWPBGUTCL-DHRITJCHSA-N 387.487 4.570 30 40 GJEB Cc1cc(C)c(NC[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 95117279 GIJZXPLOLDRENK-LJQANCHMSA-N 386.495 4.834 30 40 GJEB O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccs2)/C1=C(\O)c1ccc(Cl)cc1 102885990 BZPGCXSSPUFVMA-HVESIFNPSA-N 399.855 4.616 30 40 GJEB C=C(C)COc1cccc(C(=O)NCCSCc2ccccc2Cl)c1 219777699 AYPSCTNTINKNPC-UHFFFAOYSA-N 375.921 4.958 30 40 GJEB C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225104889 LQRDBBNUVPNSGX-UHFFFAOYSA-N 390.263 4.522 30 40 GJEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)s1 225845603 UZTCNNMHOGWVBI-HNNXBMFYSA-N 385.514 4.766 30 40 GJEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(F)cc2)NC1=O 408816237 KXWULYPYQSNYII-YBEGLDIGSA-N 376.840 4.769 30 40 GJEB C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(OC)c1OCC 409017224 FGIMRCRPCZSEFR-VLURKWGBSA-N 375.490 4.657 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OC 409063724 BMLMUGVHTBBREA-UYRXBGFRSA-N 397.452 4.510 30 40 GJEB N#Cc1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(C#N)cc2)cc1 2133733 BUZSLWACJAJXRH-UHFFFAOYSA-N 388.471 4.738 30 40 GJEB CCCCCCCCCS(=O)(=O)N/N=C/c1c(O)ccc2ccccc12 3077514 SZRPGKWJLMCRPZ-LTGZKZEYSA-N 376.522 4.549 30 40 GJEB O=C(Cc1ccccc1F)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F 3345952 RSFBKOUINLWEQV-UHFFFAOYSA-N 395.274 4.967 30 40 GJEB O=C(O/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)C1CC1 4003139 NOHVKUOKQOUZHV-SSDVNMTOSA-N 399.903 4.882 30 40 GJEB COc1ccc(Cl)cc1N/N=C(\C#N)c1nc(-c2ccc(F)cc2)cs1 4175554 UNUWETRHIDZSAC-BUVRLJJBSA-N 386.839 4.951 30 40 GJEB CCc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc(Br)c2)S1 5551119 PQUGASNLZIPXEO-WJDWOHSUSA-N 387.302 4.903 30 40 GJEB Cc1nc2cc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)ccc2o1 12553320 WUGLGESOOHIQGQ-LBPRGKRZSA-N 394.500 4.777 30 40 GJEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1F 33674293 DXZKDMVNFGHWRI-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB O=C1/C(=C/c2ccccc2)Oc2c1ccc1c2CN(Cc2cccs2)CO1 41657004 MYLONRDRJZNJEM-JAIQZWGSSA-N 375.449 4.716 30 40 GJEB CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)cc1 59138053 MLIJBRYFZBPERU-JXAWBTAJSA-N 397.500 4.560 30 40 GJEB COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)ccc1O 408915084 PBZNTMBNWCDYTE-NNSJDREZSA-N 396.512 4.969 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccccc1 409088613 GJTZEPUTLIJKKB-MOSHPQCFSA-N 377.440 4.709 30 40 GJEB CC[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C#N)C1 995171 IAAJFZLCWYPHIY-JTQLQIEISA-N 389.864 4.949 30 40 GJEB N#CCCN(C(=O)CSC1=Nc2ccccc2CS1)c1ccccc1F 5325210 JFIJYDCNDUYIHM-UHFFFAOYSA-N 385.489 4.740 30 40 GJEB Cc1cc(Br)ccc1/N=C1\C(=O)Nc2ccc(Br)cc21 13855789 ZLSZFZLJURHONS-UHFFFAOYSA-N 394.066 4.593 30 40 GJEB N#Cc1ccccc1-c1ccc(CSc2nc3sccc3c(=O)[nH]2)cc1 14241266 ILKUGXTUCDMFAT-UHFFFAOYSA-N 375.478 4.816 30 40 GJEB COc1cc(OC)c(C(=O)/C=C/c2csc(-c3ccccn3)n2)cc1Cl 40139721 RIJHZOBIUHEOLV-VOTSOKGWSA-N 386.860 4.772 30 40 GJEB O=[N+]([O-])c1cc(/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1Cl 59678895 GYJRVSUGXKAQQV-GIJQJNRQSA-N 398.644 4.955 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(Br)s3)S2)cc1 408754321 QEVHTAREEVOPPI-LCYFTJDESA-N 393.331 4.965 30 40 GJEB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 409011906 PASOTNLJOAIVBS-OTGIAGGSSA-N 379.485 4.801 30 40 GJEB O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccc([N+](=O)[O-])o1 897418 KNGOFGMSEBGBGI-BOPFTXTBSA-N 393.376 4.737 30 40 GJEB CCCCCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 3178682 QMJYFBBUZKFGSG-RELWKKBWSA-N 388.533 4.738 30 40 GJEB COc1ccc(/C=C\C2=CC(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC 4771300 WAPXWPLZLDBYAE-SFFCAUCYSA-N 394.467 4.807 30 40 GJEB Cc1ccc(-c2ccc(/C=N/NC(=S)NCc3ccccc3)o2)cc1Cl 6215964 LNBBFNBSEIULLI-YDZHTSKRSA-N 383.904 4.907 30 40 GJEB CCCCOc1ccc(C(=O)O/N=C2/C[C@@H](C)Oc3cc(OC)ccc32)cc1 6651427 JCFUYCVSEXAMMU-LYLVPTPKSA-N 383.444 4.606 30 40 GJEB N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)NC1CCCCC1 12250958 KAPLFGIXDGJOJC-UHFFFAOYSA-N 385.920 4.815 30 40 GJEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cc2ccccc2)cc1 17302084 OQCSOPGAGIORPF-JCMHNJIXSA-N 390.399 4.930 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1c(C)cccc1C 211011697 YRYNNYOXIAWTAF-RTPPHFGYSA-N 380.469 4.626 30 40 GJEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2nc3ccccc3[nH]2)o1 408591882 VVKVRSXHGXYRIA-YDZHTSKRSA-N 382.427 4.763 30 40 GJEB O=C1NC(=Nc2ccc(Cl)cc2[N+](=O)[O-])S/C1=C/c1ccc(Cl)cc1 408751835 CQPTWYLKJZNFBL-VGOFMYFVSA-N 394.239 4.793 30 40 GJEB Fc1cc(/C=N\c2ccccc2I)ccc1N1CCCC1 409097385 MFLNOLKWWXGMGZ-NDENLUEZSA-N 394.231 4.781 30 40 GJEB Cn1cc([C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[N+](=O)[O-])c2ccccc21 4811527 JORDTLDEPAVWPU-GOTSBHOMSA-N 384.435 4.838 30 40 GJEB CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C/c1ccc(O)c(OC)c1 6356729 TXCVHOHNUUQPIR-IEOVJSGBSA-N 387.892 4.539 30 40 GJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3CC(C)C)cc1OC 20746029 GQAUYQQKRWNSTM-HZPDHXFCSA-N 396.487 4.956 30 40 GJEB C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)cc1 27663243 ASDMFCSJCPLCDN-UHFFFAOYSA-N 393.443 4.589 30 40 GJEB Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)S1 59224441 OAQMWAHGLFUIQC-PXNMLYILSA-N 387.848 4.757 30 40 GJEB COCCN1C(=O)/C(=C/c2ccc(OC(C)C)cc2)S/C1=N/c1ccccc1 100280148 YSWKOANNBSQMLX-PKEPYMRNSA-N 396.512 4.724 30 40 GJEB N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 102669245 NIQUINPNXZDKJD-VSKRKVRLSA-N 399.881 4.720 30 40 GJEB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C#N 225775027 MVRFUAYXVWUXNG-UHFFFAOYSA-N 396.462 4.563 30 40 GJEB C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OC 408771211 DXYSTUUVLVYLCL-FBHQFGEZSA-N 380.513 4.586 30 40 GJEB N#C[C@@H](C(=O)COc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 2659748 YAGSZLFIPKVXDX-ZDUSSCGKSA-N 376.359 4.570 30 40 GJEB Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)c1 4175524 WLUVUAYCQUQLIV-QJOMJCCJSA-N 377.429 4.675 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3)c2C#N)C1 5976649 SXEZVRAQOUHHGZ-OAHLLOKOSA-N 396.512 4.566 30 40 GJEB C=CCNc1nc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cs1 7780395 DZHABOJCFCVYGE-IBGZPJMESA-N 378.453 4.522 30 40 GJEB Cc1cc(N[C@@H](c2ccccc2)c2nccn2C)n2c(nc3ccccc32)c1C#N 12604013 HDZUCLZYSPZWIJ-QFIPXVFZSA-N 392.466 4.603 30 40 GJEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2c[nH]c4ccccc24)C3=O)C1 20650769 CSQCFVSYVANDJX-MFLNWZAWSA-N 388.467 4.722 30 40 GJEB Sc1nnc(-c2ccc(Br)cc2)n1/N=C/c1ccc(Cl)cc1 26506206 YKACSCZBCNTUPD-GIJQJNRQSA-N 393.697 4.532 30 40 GJEB CCOc1ccccc1/C=C1\S/C(=N/c2ccc(OC)cc2)N(CC)C1=O 97466955 AXMFODIYAQUJTA-GKVQKNEHSA-N 382.485 4.718 30 40 GJEB CCc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc1 409289270 FNPSGBHTKISWPI-UHFFFAOYSA-N 398.304 4.727 30 40 GJEB C#CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(Br)c1 226324973 GEDZIPZLIQFBKE-UHFFFAOYSA-N 395.252 4.971 30 40 GJEB COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2F)NC1=O 408866264 GVDSVYGDQTUPIU-UNOMPAQXSA-N 378.428 4.879 30 40 GJEB CCOc1ccc(/N=C2/C(=O)N3c4c2cc(OC)cc4[C@H](C)CC3(C)C)cc1 1411210 CNEWJPWUGCTXIP-XHWMPCBKSA-N 378.472 4.847 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)[C@H](C)CCc4ccco4)[C@H]3C[C@H]12 4084525 KZISYGGODUZFQO-LGFZTFMRSA-N 385.548 4.847 30 40 GJEB biogenic N#Cc1c(NC(=S)NC(=O)c2cccc(Cl)c2Cl)sc2c1CCC2 4703959 PMWNDWZJXIHJTN-UHFFFAOYSA-N 396.324 4.542 30 40 GJEB COc1c(Cl)cc(Cl)cc1/C=N/n1c(C)nc2sc(C)c(C)c2c1=O 4838258 HZFCEJFTTAHFIQ-IFRROFPPSA-N 396.299 4.581 30 40 GJEB C/C(O)=N/c1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2 5066186 LBOJXKGWOCJNCC-KRWDZBQOSA-N 383.814 4.735 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 5130496 SHZADSQBGXPJGN-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB N#CCCn1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc21 12546320 BDJLHZSWKAVDRN-UHFFFAOYSA-N 386.480 4.834 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1cccc(Cl)c1Cl 18195597 IGFQVAWZFUOCRQ-GFCCVEGCSA-N 378.259 4.623 30 40 GJEB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)Cc1ccc(C#N)cc1 32616436 XKVIFIHOIFXPSO-UHFFFAOYSA-N 381.888 4.916 30 40 GJEB CCOc1cc(/C=N\O)cc(Cl)c1OCc1cccc(Br)c1 226325936 ZYTPCLFBNBOJCU-OCKHKDLRSA-N 384.657 4.888 30 40 GJEB Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(C(C)C)C1=O)OCO2 408905724 CYTSLLBXHYMRFM-OESWBVNESA-N 380.469 4.736 30 40 GJEB COc1cc(/C=N/O)c(Br)cc1OCc1cccc2ccccc12 409088635 GQFSMPNKPUDHGT-SRZZPIQSSA-N 386.245 4.998 30 40 GJEB O=C(O)c1cc(N/N=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)ccc1Cl 409216749 LEEXJFUXMNQXES-FXBPXSCXSA-N 388.594 4.699 30 40 GJEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc(Cl)ccc1O 409281772 LTDGNBCSUAVFNP-UHFFFAOYSA-N 381.863 4.685 30 40 GJEB N#C[C@H](C(=O)CSc1nc2ccccc2s1)c1nc2ccccc2s1 2706989 IHNXVNBKSITPCU-LLVKDONJSA-N 381.507 4.875 30 40 GJEB C[C@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(C#N)c2C1 4072658 PEYCYNNPYGPVFD-VIFPVBQESA-N 375.837 4.558 30 40 GJEB CC(C)(C)c1ccc(/C=N/OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 5752701 XMAATMTVAMWXDM-NLRVBDNBSA-N 392.543 4.816 30 40 GJEB C=CCSc1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)F)cc1 12520339 IHGMDOUKTILNDL-UHFFFAOYSA-N 389.427 4.555 30 40 GJEB CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)c1C#N 32970263 FFXYUZFSARYKCQ-WFASDCNBSA-N 381.501 4.541 30 40 GJEB COc1cc(Br)c(/C=C2/CCc3c(C)cc(C)cc3C2=O)cc1O 96767095 PIGBLIXKURIEPB-JYRVWZFOSA-N 387.273 4.993 30 40 GJEB C=CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OCC)c1 226326405 SVPDOUUTKIPWSA-UHFFFAOYSA-N 391.261 4.770 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253371054 ZZCLFVCHZVPTRZ-IYMPQHQSSA-N 396.575 4.869 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(F)cc2)c1 408594989 VFDAHYKIRWOOMP-YDZHTSKRSA-N 380.375 4.864 30 40 GJEB N#Cc1ccc(Nc2cccc([C@H]3CCCN3Cc3cc4ccccc4[nH]3)n2)cn1 585295416 YQRBDVKJMDNUCM-HSZRJFAPSA-N 394.482 4.910 30 40 GJEB FC(F)Oc1ccccc1/C=N/n1cnn(Cc2ccccc2Cl)c1=S 3197375 UZOVKCHTGNJUBE-ZVBGSRNCSA-N 394.834 4.599 30 40 GJEB N#Cc1ccsc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 5957587 NWNPLTISPBTWPJ-UHFFFAOYSA-N 375.475 4.613 30 40 GJEB COc1ccccc1[C@H]1C2=C(C[C@H](c3ccccc3)CC2=O)Nc2onc(C)c21 13570741 FZLOCQYXMVLZCW-KSFYIVLOSA-N 386.451 4.950 30 40 GJEB COc1cccc(/C=N\OCc2ccccc2)c1OCc1ccc(C(=O)O)cc1 16228210 FFUSANWNZCHXBF-OYKKKHCWSA-N 391.423 4.523 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 17145551 FQHVHHMTDMPJCE-NRFANRHFSA-N 375.468 4.883 30 40 GJEB COc1c2c(cc3c1[C@H](CC(=O)/C=C/C(C)(C)CC=C(C)C)N(C)CC3)OCO2 20111887 ONOPZUMQDQIUCO-BLRBJFNZSA-N 399.531 4.851 30 40 GJEB biogenic COc1ccc(Nc2nc(-c3cn(CCC#N)c4ccccc34)cs2)cn1 71185691 YGRYKFUTTNKDNM-UHFFFAOYSA-N 375.457 4.826 30 40 GJEB CC(C)Oc1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Cl 84700269 UYGRKZHXJMPEGZ-NSHDSACASA-N 389.908 4.832 30 40 GJEB C=CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 96193301 CIHLDKNFTDSUDV-AQTBWJFISA-N 397.272 4.820 30 40 GJEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1ccccc1Cl 100512585 SUWIVJBDKMXBJH-HAVVHWLPSA-N 395.875 4.654 30 40 GJEB C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/c1ccc(/N=N/c2ccccc2)cc1 103448331 BXJXSDDSKGCEDO-RFGLVLNPSA-N 394.456 4.694 30 40 GJEB Cc1cccc(Cc2nc(SCc3ccccc3Cl)nc(N)c2C#N)c1 223670485 XEOMTDZPUSACQH-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB C=CCOc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cccc1OC 408536153 YIXRCAANSWGXKE-QGOAFFKASA-N 397.521 4.661 30 40 GJEB Cc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)s1 1007314 GHMWIEYPOZYIOW-JYRVWZFOSA-N 379.304 4.711 30 40 GJEB CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 2062789 KEHUQQPMAJZGRF-UHFFFAOYSA-N 379.456 4.923 30 40 GJEB CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 4740325 RPOUJVXKQLCAKN-AAXIQULDSA-N 390.483 4.773 30 40 GJEB CCC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O 4937615 ZFWKTTDPEDHJEY-ZNVYLOEZSA-N 395.528 4.638 30 40 GJEB COc1ccc(NC(=O)[C@@H](Oc2ccc(C#N)cc2)c2ccccc2)cc1Cl 5111605 SKENTQRWENFPBN-NRFANRHFSA-N 392.842 4.979 30 40 GJEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1ccc(Cl)cc1 6743989 PJTULFFKKVCIPO-UHFFFAOYSA-N 398.850 4.619 30 40 GJEB N#Cc1ccccc1COc1ccccc1/C=N/NCc1ccccc1Cl 8811756 MTAAJLFCSLUKBL-CVKSISIWSA-N 375.859 4.914 30 40 GJEB CC[C@@H]1O[C@@]2(C(C)=O)CC[C@@]3(O1)[C@@H]1CCC4=CC(=O)CC[C@]4(C)[C@H]1CC[C@]23C 120710929 MQSDUYIXZDSLSZ-DHLGUUOTSA-N 386.532 4.752 30 40 GJEB COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1C#N 408593723 RCEVSPVFDBTDLM-JFLMPSFJSA-N 397.434 4.568 30 40 GJEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)S2)c1 409103222 VLPXWKKOFIJAIK-MOSHPQCFSA-N 395.503 4.934 30 40 GJEB N#CCn1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c2ccccc21 409369502 CEFPVUFMKDBYBB-WQRHYEAKSA-N 392.871 4.710 30 40 GJEB Cc1cc(=O)oc2cc(OC/C(O)=N/Cc3cccc(C(F)(F)F)c3)ccc12 3341204 PFUCPTOXSIZDFQ-UHFFFAOYSA-N 391.345 4.656 30 40 GJEB CCSc1nc2n(n1)[C@@H](c1ccc(CC)cc1)C1=C(CC(C)(C)CC1=O)N2 4777010 UFVXHOGMXYWEGL-SFHVURJKSA-N 382.533 4.611 30 40 GJEB Cc1ccc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2c1C 4849068 PPCCVPUZQFFMKB-HNNXBMFYSA-N 387.508 4.793 30 40 GJEB C(=N/Nc1ncnc2scc(-c3ccccc3)c12)\c1cnc2ccccc2n1 5562305 QYJVOUUDRJFYFG-OPEKNORGSA-N 382.452 4.748 30 40 GJEB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3sccc3C#N)c12 58181063 CTISBCQVYRIDEU-UHFFFAOYSA-N 379.489 4.558 30 40 GJEB C=CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(N)c([N+](=O)[O-])c1 65090446 ZFUPEEXJJMMTRE-UHFFFAOYSA-O 387.872 4.776 30 40 GJEB Cc1cc(C)c(NC[C@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 95117278 GIJZXPLOLDRENK-IBGZPJMESA-N 386.495 4.834 30 40 GJEB Cc1c(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1 409099838 UJXILANUDLWIJQ-ZVHZXABRSA-N 385.427 4.747 30 40 GJEB C=CCOc1ccc(Br)cc1/C=C1\C(=O)N(CC)c2ccccc21 409117901 YBFIVKSCONWYRL-LGMDPLHJSA-N 384.273 4.921 30 40 GJEB CC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O 4935720 TZMLSDXOSJFJPP-QFNPTZOWSA-N 389.883 4.723 30 40 GJEB C=CCSc1nnc2c3sc4nc(CCCC)c5c(c4c3ncn12)CCC5 5033297 HMFQSXQJKYXCJE-UHFFFAOYSA-N 395.557 4.997 30 40 GJEB O=[N+]([O-])c1cc(Cl)cc(/C=N\c2cccc(-c3nc4ncccc4o3)c2)c1O 5740747 BIALOGORZPKZNQ-YVNNLAQVSA-N 394.774 4.908 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\[C@@H](c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1 16972270 ADTARSVEFZEDHH-YLRSXTQRSA-N 382.401 4.794 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\[C@H](c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1 16972275 ADTARSVEFZEDHH-VXIUPONVSA-N 382.401 4.794 30 40 GJEB CCCCCCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nc2ccccc21 32910905 LKNIFTASNSKWFM-OAQYLSRUSA-N 386.565 4.763 30 40 GJEB CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc23)CC(C)(C)CC1=O 100138982 WXGZEAHOBCKFMY-UHFFFAOYSA-N 380.532 4.929 30 40 GJEB O=C(CO/N=C\c1ccccc1OCc1ccccc1Cl)Nc1ccccc1 107874549 XKIYPQPDKZSYRI-OYKKKHCWSA-N 394.858 4.908 30 40 GJEB C=CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1OC 211502253 UGJMNPPYUSSIQI-PDGQHHTCSA-N 383.425 4.619 30 40 GJEB CCN(Cc1ccccc1)c1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1 3347099 HKMAEQYPKPGTQO-YZSQISJMSA-N 396.494 4.614 30 40 GJEB CC(C)(C)c1ccc(C/C(N)=N/OC(=O)Nc2cc(Cl)nc(Cl)c2)cc1 4280544 IMRKYRHWYWXKAT-UHFFFAOYSA-N 395.290 4.749 30 40 GJEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1OCC 5427162 JVBPCEWJSCRGCR-UHFFFAOYSA-N 397.862 4.617 30 40 GJEB CCN(CC)C(=O)c1sc(NC(=O)c2cccc3ccccc23)c(C#N)c1C 6046316 LAQYLJNIXAIBBH-UHFFFAOYSA-N 391.496 4.816 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)o1 19972786 VXYBIPPBUMGPBO-LHSJRXKWSA-N 397.496 4.574 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 30755005 YAPDFRWJGRMZAH-JOCHJYFZSA-N 388.467 4.552 30 40 GJEB CCc1cccc2c(N[C@@H](c3cccc(OC)c3)c3nccn3C)c(C#N)cnc12 32932690 TWMDNDICULJTPA-QHCPKHFHSA-N 397.482 4.612 30 40 GJEB N#Cc1ccc(-c2ccc(O[C@H](C(=O)N3CCCC3)c3ccccc3)cc2)cc1 89823200 KIZYBKLRYPKBQO-DEOSSOPVSA-N 382.463 4.968 30 40 GJEB CCOc1ccc(/C=N/c2ccc(C(C)=O)cc2)cc1I 408905162 UNGWDGILZPUOFN-YBFXNURJSA-N 393.224 4.643 30 40 GJEB COc1ccc(/N=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)cc1 409117785 MXXHLULKRWXWLR-MTJSOVHGSA-N 394.456 4.912 30 40 GJEB C=C1[C@@H](C(=O)Nc2c(C)cc(C)cc2C)[C@@H]1C(=O)Nc1c(C)cc(C)cc1C 3191471 RBQJDAGSUGREBE-WOJBJXKFSA-N 376.500 4.917 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccc2c(c1)OCO2 5769931 YHBTWDZGXKJOJV-UUASQNMZSA-N 393.251 4.614 30 40 GJEB COc1ccc(-c2ccc(C#N)c(S[C@H](C(=O)O)c3ccccc3)n2)cc1 12249732 FABWCDWWVBLBPB-IBGZPJMESA-N 376.437 4.547 30 40 GJEB CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)c1nc2ccccc2s1 17144315 MTIOIUODGNXRNU-UHFFFAOYSA-N 396.541 4.633 30 40 GJEB Oc1c(Cl)cccc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F 59475486 ZJEPCHQPYOOSNR-FOKLQQMPSA-N 384.785 4.652 30 40 GJEB Cc1cc(Br)c2oc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2c1 96013397 HXUIOZPQCIBSQO-GFCCVEGCSA-N 394.228 4.870 30 40 GJEB Cc1cc(/N=C\c2ccc(N3CCCC3)o2)ccc1I 408856739 QWWAYZBPNHVRMJ-WQRHYEAKSA-N 380.229 4.543 30 40 GJEB O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1F 1539959326 AOEVDBAOSVNXDX-SANMLTNESA-N 399.287 4.724 30 40 GJEB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C#N)cc3)cc12 3363018 OFIVLZFLYOUBNV-UHFFFAOYSA-N 390.443 4.718 30 40 GJEB Cc1c(/C=N/Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1Cc1ccccc1 4048012 DTSYLCWIQGTBHQ-ZVHZXABRSA-N 385.427 4.747 30 40 GJEB Cn1cccc1/C=C1/S/C(=N\c2cc(C(F)(F)F)ccc2Cl)NC1=O 5376810 KCGTVJWSGRGMRQ-MDWZMJQESA-N 385.798 4.589 30 40 GJEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/N1CCCCC1)C2=O 118934876 ZFGXLNALPWRPDS-PGMRXNFTSA-N 383.576 4.859 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 245238807 BCCCZZPVWYISIP-YNJDJOGQSA-N 376.500 4.553 30 40 GJEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)n1 253369466 CWICEVOQFOQFIA-IYMPQHQSSA-N 396.575 4.869 30 40 GJEB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2C3=C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 263609796 VLQLBBGNUJQREB-OPSGZPNMSA-N 384.516 4.575 30 40 GJEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1cccn1-c1ccc(O)cc1 409021391 FKCIEHZMYPCFQK-PDGQHHTCSA-N 395.871 4.728 30 40 GJEB O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 721372 KKHSJMMCKKRPKW-CMDGGOBGSA-N 394.824 4.877 30 40 GJEB Cc1ccc2cc(C#N)c(SCC(=O)Nc3sc(C)c(C)c3C#N)nc2c1 906820 MYAREKLMWPFDPK-UHFFFAOYSA-N 392.509 4.696 30 40 GJEB N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)cc1 3349432 AHORJYSXQQWUEY-UHFFFAOYSA-N 388.267 4.770 30 40 GJEB COc1cccc(/C=N/Nc2nc(C(F)(F)F)c(-c3ccccn3)s2)c1 4358203 HLHDDLMSVRNECC-LSHDLFTRSA-N 378.379 4.679 30 40 GJEB C=CCOc1ccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 5936091 SCXVUSYEUHOIBB-UHFFFAOYSA-N 379.287 4.629 30 40 GJEB CCOc1cc(C#N)ccc1OCC(=O)Nc1c(Cl)ccc(C)c1Cl 6541130 NTIYYMMOMASKBA-UHFFFAOYSA-N 379.243 4.590 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1CSCC(=O)O 7913157 ZPQKHPPTAZSSDT-SOFGYWHQSA-N 376.861 4.563 30 40 GJEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)o2)cc1 8614940 DWYMOYKPVQRCLT-UHFFFAOYSA-N 386.411 4.701 30 40 GJEB Cc1ccc(/N=C2\SCCCN2C(=O)c2ccc(Cl)nc2)cc1Cl 16006310 OFTBUSKOMOYTFT-FXBPSFAMSA-N 380.300 4.964 30 40 GJEB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\Nc2nc3ccccc3s2)o1 33927623 MHAHWDXEBJDPAZ-JAIQZWGSSA-N 394.412 4.919 30 40 GJEB CC1CCN(CN2C(=O)/C(=N\c3ccc(F)c(Cl)c3)c3ccccc32)CC1 100153290 AQFASMDJXBWGCO-GFMRDNFCSA-N 385.870 4.636 30 40 GJEB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 225779090 AJRXAWUDDPEZLH-UHFFFAOYSA-N 398.890 4.687 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3)S2)cc1 408963137 AELYWAKKHVTDLJ-XSFVSMFZSA-N 389.480 4.686 30 40 GJEB C=CCc1cc(CO)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409122585 ZYEIFWHRFARKRW-UHFFFAOYSA-N 383.322 4.635 30 40 GJEB CCOc1ccc(-n2c(C)cc(/C=N/c3cc([N+](=O)[O-])ccc3O)c2C)cc1 409187936 VUPPRUPGTCMZSK-LPYMAVHISA-N 379.416 4.857 30 40 GJEB CC(C)(C)c1ccc(/C=N/S(=O)(=O)c2ccc(Br)cc2)cc1 952564 ZLNIZOCBJKAELS-XDHOZWIPSA-N 380.307 4.554 30 40 GJEB C[C@H]1CCc2c(sc(/N=C/c3ccc(I)o3)c2C#N)C1 1094571 PDALVXHJYYPLBX-ZBPACCJBSA-N 396.253 4.693 30 40 GJEB O=C(OCC#CCSc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 4698942 MNLYDAQDJRAMFU-UHFFFAOYSA-N 377.421 4.701 30 40 GJEB C#CCOc1c(Cl)cc(/C=N/NCc2ccccc2Cl)cc1OCC 8811411 QBUPGQBUZWRMAQ-WSDLNYQXSA-N 377.271 4.528 30 40 GJEB O=C(O)c1cc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Cl 12354335 WVSDRUBWSMQKSK-KEBDBYFISA-N 385.763 4.652 30 40 GJEB Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccncc1 15012621 QTXAWFQOMQSBKM-XDHOZWIPSA-N 392.459 4.520 30 40 GJEB CCOC(=O)c1sc2nc(C)nc(Oc3ccc(C#N)cc3Cl)c2c1C 15117068 BDIPWKSVYSFJNQ-UHFFFAOYSA-N 387.848 4.802 30 40 GJEB Cc1ccccc1N1C(=O)C[C@H](c2ccccc2OCc2ccccc2)[C@@H]1C#N 26896027 KYOKAZZYGPCKIP-GGAORHGYSA-N 382.463 4.987 30 40 GJEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/N1CCCCC1)C2=O 118923014 VDEUHVINUWGYPC-NTYDLUTKSA-N 385.592 4.939 30 40 GJEB C=CCOc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 218838009 LQJSQWCAKNMTLH-UHFFFAOYSA-N 390.277 4.648 30 40 GJEB CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(OCC(=O)O)cc3)c2C#N)C1 409089875 KVGICTZMAPMAMV-ZIFAQYRBSA-N 396.512 4.985 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccccc1Cl 815887 FHZZHPHDGIXIOR-LIUKBUMOSA-N 396.874 4.571 30 40 GJEB Cn1cccc1/C=C1/S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O 5376808 UHFKXIZZWLBETN-MDWZMJQESA-N 385.798 4.589 30 40 GJEB C=CCn1c(-c2ccccc2)nn(CC(=O)N(c2ccccc2)C(C)C)c1=S 6883866 FGVNCVYHXHISBF-UHFFFAOYSA-N 392.528 4.709 30 40 GJEB COc1ccc(/C=N/Nc2cc(C)c3cc(Cl)ccc3n2)c(OC)c1OC 7065085 YBIUZBGCCDFZHV-SSDVNMTOSA-N 385.851 4.668 30 40 GJEB N#Cc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Br)cc1 36353472 IEHSISZSMZQMNG-CQSZACIVSA-N 393.244 4.630 30 40 GJEB C/C(=N\c1cccc(OC(F)(F)C(F)F)c1)C1C(=O)c2ccccc2C1=O 100681734 CNJJHJWKNIFEHZ-YSURURNPSA-N 379.309 4.711 30 40 GJEB Cc1cc2c(cc1/C=C1/S/C(=N/c3ccccc3)N(CC(C)C)C1=O)OCO2 17167458 AUHNFOBEHGKKRP-IGHZLFRKSA-N 394.496 4.984 30 40 GJEB Cc1ccc2c(Nc3cccc(C#N)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004681 YVXNGOGQKRAFNE-UHFFFAOYSA-N 385.471 4.570 30 40 GJEB CC/N=C1/S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CC 59396126 KMGZQLLDVVJWNH-TZIVZOBOSA-N 384.476 4.717 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)n1nc(-c3ccccc3)nc1N2 950970 ZEKWTUVELGMJRC-IBGZPJMESA-N 376.847 4.621 30 40 GJEB COC(=O)[C@H]1C(=O)C=C(Nc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 1080013 SBODGHGPPUOMPZ-IEBWSBKVSA-N 389.373 4.547 30 40 GJEB COc1cc2c(cc1OCc1ccccc1)[C@H](C#N)N(C(=O)c1ccccc1)C=C2 2033578 AGRKTDHVKYYTNC-QFIPXVFZSA-N 396.446 4.966 30 40 GJEB C=C(C)Cn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 4385050 MATMJCUZTOBSND-KRWDZBQOSA-N 375.472 4.532 30 40 GJEB N#Cc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 6531554 RAUDHHXVQWUUJQ-UHFFFAOYSA-N 383.480 4.552 30 40 GJEB CCOc1ccc(CC/N=C/c2cc(Br)ccc2O)cc1OCC 57411971 QRWSFMYJOIPYRM-FYJGNVAPSA-N 392.293 4.614 30 40 GJEB N#CCc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 225296110 CSQQPXDESAXZGQ-UHFFFAOYSA-N 375.950 4.626 30 40 GJEB Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Br)o2)S1 408737991 HJKXMWAQIGTNHE-GHXNOFRVSA-N 397.681 4.896 30 40 GJEB C=C1[C@H](C(=O)Nc2c(C)cc(C)cc2C)[C@H]1C(=O)Nc1c(C)cc(C)cc1C 729860 RBQJDAGSUGREBE-PMACEKPBSA-N 376.500 4.917 30 40 GJEB Cc1cc2cc(C#N)c(SCC(=O)N3CCCc4ccccc43)nc2cc1C 1354500 SGYGROPEZGVQKY-UHFFFAOYSA-N 387.508 4.795 30 40 GJEB C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(Cl)c1 2446331 OGJBYUAZFJTVNH-UHFFFAOYSA-N 381.892 4.953 30 40 GJEB N/C(Cc1ccc(Cl)cc1Cl)=N\OC(=O)/C=C/c1ccccc1Cl 6889366 GODYIBCDQUSIMR-SOFGYWHQSA-N 383.662 4.718 30 40 GJEB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)ccc2C#N)cc1Cl 12250986 NJGKGJZEODDXKI-UHFFFAOYSA-N 383.860 4.906 30 40 GJEB COc1ccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c(OC)c1 12858250 LYEMSDVAZLFZGD-FMCGGJTJSA-N 388.419 4.899 30 40 GJEB biogenic C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)Nc1cccc(C#N)c1 72030885 ZTKJASXGIZYNJM-MRXNPFEDSA-N 382.423 4.661 30 40 GJEB COC(=O)c1cccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c1 96272571 FBOWETRHKGTZFK-CIAFOILYSA-N 377.425 4.789 30 40 GJEB C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224959648 XQAVAMGGKABCLC-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C#N 225677299 VWMDYOQKFMTNFS-UHFFFAOYSA-N 393.443 4.706 30 40 GJEB Cc1ccc(COc2nn(Cc3ccc(Cl)c(Cl)c3)c(N)c2C#N)cc1 225847113 HOQUWYNFPKKYOH-UHFFFAOYSA-N 387.270 4.580 30 40 GJEB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253508561 WEMMMOPGBRUKBZ-TXBBOKTHSA-N 392.543 4.823 30 40 GJEB Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)c1 409055580 JISCCENXDGTBQT-OEAKJJBVSA-N 389.411 4.671 30 40 GJEB C#CCOc1ccc(Br)cc1/C=C1\C(=O)N(CCC)c2ccccc21 409122546 ZJJUPVFGYQPRLW-JXAWBTAJSA-N 396.284 4.758 30 40 GJEB C(=N/N=C1/CCCCCN1)\c1sc(N2CCCCC2)nc1-c1ccccc1 3184822 ZQVZJDWXRIMMQZ-XQNSMLJCSA-N 381.549 4.696 30 40 GJEB N#Cc1ccc(COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 4363533 ROKIYRVPYLZNGV-UHFFFAOYSA-N 379.419 4.768 30 40 GJEB CC(C)c1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 4435979 LHTWNFFHKVQQEF-HRAATJIYSA-N 390.512 4.879 30 40 GJEB COc1ccc(/N=C2/Sc3nc4ccc(C)cc4cc3CN2CCCO)cc1 4858404 LIXXGGLXXJGBNQ-GHVJWSGMSA-N 393.512 4.530 30 40 GJEB CCc1ccccc1/N=C1/S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1CC 12630758 HCJHKOAPLLRJKK-MPIQAULUSA-N 379.529 4.939 30 40 GJEB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccc(C#N)cc2)cc1C 25118873 FPDFFRGYRAOPPH-UHFFFAOYSA-N 382.463 4.678 30 40 GJEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)NC1=O 408818657 PZWHJQVYKKIHSL-QNGOZBTKSA-N 384.460 4.743 30 40 GJEB N#CCOc1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 409159147 ZGUMHUWQZIEMQF-MDZRGWNJSA-N 381.819 4.977 30 40 GJEB Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 2625067 ZPHWPTOHHNDCJQ-UHFFFAOYSA-N 384.892 4.564 30 40 GJEB Cc1ccc2nc(-c3ccc(N4CC(=O)C(c5ccccc5)=C4N)cc3)sc2c1 3198327 TWJZWSWAHLXSJN-UHFFFAOYSA-N 397.503 4.988 30 40 GJEB Cc1ccccc1N1C(=O)C[C@@H](c2ccccc2OCc2ccccc2)[C@@H]1C#N 26896031 KYOKAZZYGPCKIP-GMAHTHKFSA-N 382.463 4.987 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 35040848 HTBWOKXDBSSSBL-CPNJWEJPSA-N 395.505 4.860 30 40 GJEB Cc1cc(O)c(CNCc2cccs2)c2c1C(=O)/C(=C/c1cccs1)O2 94993334 KNQSADIQIGGERG-MFOYZWKCSA-N 383.494 4.730 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)S2)c1C 409076143 YNIFXUCFYJEKHY-MOSHPQCFSA-N 395.503 4.934 30 40 GJEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2ccccc2Cl)cc1 409094660 FOAKYAHTHDDTGG-WSDLNYQXSA-N 382.807 4.668 30 40 GJEB CCOc1cc2c(cc1/C=N\c1ccc(Br)c(Cl)c1)OCO2 409103908 XJCMFVMMSRZBBU-UWVJOHFNSA-N 382.641 4.981 30 40 GJEB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 409104411 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CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 2055302 IFPDGUHQGLXLEY-OAQYLSRUSA-N 381.516 4.806 30 40 GJEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 5175596 SXZJYIWFHUSOGE-QFIPXVFZSA-N 376.456 4.555 30 40 GJEB O=C1C[C@@H](c2cccc(F)c2F)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 6820396 RSZLOWYNMUDYAM-FZMZJTMJSA-N 387.813 4.623 30 40 GJEB CCCCCCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 8691029 NRQDIJMGRGMJSE-VIZSFHNOSA-N 382.609 4.808 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2cccc(F)c2)cc1 19923506 MSXYMYLRLGJYNF-OAQYLSRUSA-N 387.410 4.917 30 40 GJEB Cc1sc2nc(CN3CCCCC3)nc(Oc3cccc(C#N)c3)c2c1C 40160650 YPZGRZVFBSKFIT-UHFFFAOYSA-N 378.501 4.958 30 40 GJEB CCc1ccc(/N=C2\C(=O)N(CN3CCc4ccccc4C3)c3ccccc32)cc1 100160183 QOWPQTKYISAEQL-RFBIWTDZSA-N 395.506 4.732 30 40 GJEB N#Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 408538089 IXOOFFNFBZNVFN-UHFFFAOYSA-N 385.030 4.801 30 40 GJEB C=CCn1c(CCCCCCC)nnc1SCC(=O)N1CCc2ccccc21 408560330 GOHLMJDQAXDPCF-UHFFFAOYSA-N 398.576 4.658 30 40 GJEB Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 408776313 NNMYSKWHOKPTSE-PCLIKHOPSA-N 377.463 4.820 30 40 GJEB C=CCOc1ccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc1 409298963 OUUPOPMVXGJWDJ-UHFFFAOYSA-N 387.483 4.891 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(OCC)c2)SC1=S 409350681 RZWQTSWTTJTRIB-KAECEXQPSA-N 377.531 4.650 30 40 GJEB CC[C@@H](c1nnc(SCc2ccc(C#N)cc2)n1Cc1ccccc1)N(C)C 3552628 IUZLTVGEJYZAEV-FQEVSTJZSA-N 391.544 4.503 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(C)cc1 5478151 NBTTYADIOOCHBT-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB CCc1cccc(CC)c1NC(=O)CN1C[C@@H](C)S/C1=N/C1CCCCC1 13140398 DCFKXXAVYVHYGX-PXFSWQRTSA-N 387.593 4.876 30 40 GJEB Cc1cc(NCc2cccc(NC(=O)C3CC3)c2)n2c(nc3ccccc32)c1C#N 24949955 HODCDSLBPBYOPX-UHFFFAOYSA-N 395.466 4.628 30 40 GJEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 35793411 IUZMOWYUQONABJ-JOCHJYFZSA-N 386.495 4.929 30 40 GJEB CSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 36611492 LGSNHWVNKGFUHJ-UFWORHAWSA-N 397.287 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376.522 4.610 30 40 GJEB O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccccc1Cl 408742424 QWVWSCSGSYGORL-ZSOIEALJSA-N 393.693 4.994 30 40 GJEB CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OC 408918006 DZBIOVHPHUOYBR-AWQFTUOYSA-N 377.238 4.689 30 40 GJEB CC1(C)CC(=O)C(=CNc2c(-c3ccccc3)cnn2-c2ccccc2)C(=O)C1 408920692 KMJDWMUPQFZYTQ-UHFFFAOYSA-N 385.467 4.793 30 40 GJEB CCCOc1ccc2ccccc2c1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408936577 GSHDCNTYTONOTA-BKUYFWCQSA-N 394.387 4.891 30 40 GJEB CCc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1C 408959641 CKRPVQMGOQNWSW-YDZHTSKRSA-N 377.448 4.714 30 40 GJEB Cc1ccc(C(=O)O)cc1/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408959696 DJMMZXVZUXAHRT-CFRMEGHHSA-N 389.407 4.721 30 40 GJEB O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1F 1539959324 AOEVDBAOSVNXDX-AREMUKBSSA-N 399.287 4.724 30 40 GJEB COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)[C@H]2CC(=O)c1ccc(O)cc1 1096524 BXLJMASGWFGMML-KRWDZBQOSA-N 392.451 4.793 30 40 GJEB COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O 2345673 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102929848 XEWUNVDWGPTYJQ-JBCNATCCSA-N 387.410 4.760 30 40 GJEB COc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br 408592697 NLJBSTIGGDYNKN-QGMBQPNBSA-N 399.628 4.570 30 40 GJEB COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccccc1Cl)CC2 4689778 FUFBQMCTEZXAMB-XSFVSMFZSA-N 394.652 4.618 30 40 GJEB C[C@]1(/N=C/c2ccccc2O)C[C@@H](/N=C/c2ccccc2O)c2ccccc2O1 5356652 KESRYMUTLYVDLO-SUWFMLTCSA-N 386.451 4.876 30 40 GJEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 7275643 IMNCVETUBSXNRT-NVNXTCNLSA-N 379.268 4.894 30 40 GJEB CCCC/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CCCC 12632145 JQYGCAWMPJWBFE-BSBNDGSWSA-N 395.956 4.569 30 40 GJEB C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O 12875510 MDRSYEXWHJXPOV-LQFJMUIISA-N 390.435 4.962 30 40 GJEB biogenic C=CC/N=c1/scc(-c2cccc(Cl)c2)n1/N=C/c1ccc2c(c1)OCO2 103371491 VWXGTOQWKVPVPU-ZCMVEBIOSA-N 397.887 4.568 30 40 GJEB O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc2c(cc1Cl)OCO2 5201299 XOVMTTINNNHDSL-GIDUJCDVSA-N 393.251 4.614 30 40 GJEB CCOc1cc(OCC)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 6656372 QMWRMPFWRVNKDC-ZDUSSCGKSA-N 384.501 4.794 30 40 GJEB Cn1cc(/C=C2/S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)c2ccccc21 8417801 RNDOTRVOBKXBCR-CAOOACKPSA-N 385.851 4.862 30 40 GJEB Cc1cc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2cccs2)ccc1Cl 96994704 ZUECXLFZIJSTPR-HNNXBMFYSA-N 375.925 4.650 30 40 GJEB COc1cccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC(C)C 409107570 SGTIMUVCDBPRTF-LSHDLFTRSA-N 397.353 4.855 30 40 GJEB CCOc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 409216995 QMOKSBDKENMNOV-KQWNVCNZSA-N 395.480 4.912 30 40 GJEB CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC 4836872 VVAWRBZHRVIKKS-GOSISDBHSA-N 395.551 4.560 30 40 GJEB CC1(C)CC(=O)C2=C(C1)N=C1Nc3ccccc3N1[C@H]2c1cccc([N+](=O)[O-])c1 9378961 IWIWKVINOMJLJY-FQEVSTJZSA-N 388.427 4.581 30 40 GJEB CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)s1 33704184 RJIJOZSUVKSBHG-WUMPYJMOSA-N 384.313 4.825 30 40 GJEB O=C1C(=Cc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)C(=O)c2ccccc21 59608769 QAEAWQSVQFQJBD-UHFFFAOYSA-N 390.394 4.612 30 40 GJEB CCCOc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1Cl 216058571 LMTYSCBFHGOBBC-OEAKJJBVSA-N 376.884 4.660 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)nc1 408894895 KZKHACULRNENDU-SSDVNMTOSA-N 382.807 4.668 30 40 GJEB COc1ccc(NC(=O)[C@H](C#N)Cc2cc3ccc(C)cc3nc2Cl)cc1 883040 PPJDQVJTGGAMKL-INIZCTEOSA-N 379.847 4.526 30 40 GJEB Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C\c1ccc(Cl)cc1Cl 13136098 MIPAVLQBYUJVHJ-JJFYIABZSA-N 388.302 4.940 30 40 GJEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1 19901588 VFEQGGVHFUTNAA-HXUWFJFHSA-N 381.516 4.761 30 40 GJEB CCCC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc(Cl)c(C)cc1O 55129758 RRDIOBGELCYTOV-DYTRJAOYSA-N 394.924 4.535 30 40 GJEB O=C(/C=C/c1ccc(OC2CSC2)cc1)c1ccc(Br)cc1 59472921 KSUIDIFGDWLZGR-XCVCLJGOSA-N 375.287 4.839 30 40 GJEB CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc23)CC(C)(C)CC1=O 100140317 RHQDPLCDKHXGQE-UHFFFAOYSA-N 396.531 4.629 30 40 GJEB COc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OC 113853421 UNXNAFMCGPUUBJ-VXLYETTFSA-N 395.240 4.676 30 40 GJEB CCN1c2cc(C)c(/C=N/Nc3ncccc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223572204 OOAGHCUCWFISJD-LUILSVGHSA-N 381.480 4.856 30 40 GJEB FC(F)(F)c1ccc(N/N=C\c2ccc(I)cc2)cc1 408935179 MVDSCOVMDVWIBN-OCKHKDLRSA-N 390.146 4.756 30 40 GJEB Oc1cc(Cl)ccc1/N=C\c1cc(Br)c(Br)o1 408955374 XAORXQMLLQZRKF-WCSRMQSCSA-N 379.435 4.914 30 40 GJEB CCOP(=O)(OCC)[C@@H](/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 2347492 QQLBWLRMMSCAFU-XWALVKJWSA-N 376.349 4.979 30 40 GJEB N#Cc1c(F)cccc1Sc1ccccc1NC(=O)COc1ccccc1 4108800 SJISBYUJKYXWCK-UHFFFAOYSA-N 378.428 4.866 30 40 GJEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O 5186575 XWBWNGFPBLDGJB-WQRHYEAKSA-N 389.810 4.936 30 40 GJEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OCc3ccccc3F)ccc21 5196603 SSPWKSGJGXEWEB-NHDPSOOVSA-N 391.354 4.929 30 40 GJEB N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 5265208 SWHUJGCRKLZRMU-UHFFFAOYSA-N 388.427 4.549 30 40 GJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226340170 BRYYIBRKAUQXAB-UHFFFAOYSA-N 397.627 4.611 30 40 GJEB CCOC=Nc1c(C#N)c(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1 245241144 XTHVXLGODDEOGT-UHFFFAOYSA-N 375.428 4.729 30 40 GJEB COc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)cc1 409098328 PVPMWHMSQMUZAQ-OPEKNORGSA-N 388.393 4.963 30 40 GJEB CC(C)Oc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409404994 RXDZCGNOPJFBFT-UHFFFAOYSA-N 383.451 4.733 30 40 GJEB COc1ccc(Cl)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 575243057 VZDDIZMJNVDRLO-UHFFFAOYSA-N 388.613 5.000 30 40 GJEB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C#N)C1 2750841 KRLNZHXRCLTNAY-SNVBAGLBSA-N 389.864 4.949 30 40 GJEB N#CCCOC[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 5377070 GJIOBJXBJWRYBP-WHFVKQHSSA-N 383.917 4.768 30 40 GJEB CCN(CC)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Br 5736553 SNQDSGIZIMZASA-XDHOZWIPSA-N 391.269 4.650 30 40 GJEB CCc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2cccs2)cc1 10447610 NTZANOKXKKNFPR-AOMKIAJQSA-N 390.508 4.855 30 40 GJEB C=CCN(C(=O)c1ccc(Br)o1)c1nc(-c2ccccc2)cs1 14723886 JXDCWHVAZAUEAG-UHFFFAOYSA-N 389.274 4.998 30 40 GJEB Cc1ccc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)s1 409279321 IFVRMLQZJYDHSI-UHFFFAOYSA-N 390.306 4.535 30 40 GJEB CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccc([N+](=O)[O-])o3)C2=C(O)C1 869119 CRNRZVJOTVTDQK-GOSISDBHSA-N 390.395 4.966 30 40 GJEB CCOc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccccc2Cl)cc1 5620551 LUPQHNNQBFPRNJ-ZDUSSCGKSA-N 384.892 4.991 30 40 GJEB CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 8362896 MAWLKDMZPJALDH-DLTWUOELSA-N 382.485 4.636 30 40 GJEB C=CCNC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 8554564 KBDZQZQNXYPVER-UHFFFAOYSA-N 376.441 4.622 30 40 GJEB CCN(CC)Cc1c(O)ccc2c1O/C(=C/c1cn(CC)c3ccccc13)C2=O 20648598 XZCIVSGPKYDNDW-LPYMAVHISA-N 390.483 4.825 30 40 GJEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCCC[C@H]2C)C1=O 20649348 FNCSVANLNYWTRD-LRSOKBAUSA-N 393.483 4.782 30 40 GJEB FC(F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F 59301745 ZVPJOSLLGKLQKA-UHFFFAOYSA-N 384.063 4.556 30 40 GJEB in-vitro CCN1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1cc(C)ccc1C 408910625 XJFQJXFPMWGBQK-NVTWWLNUSA-N 391.496 4.830 30 40 GJEB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccc1C#N 1353779 YBAXFBGMPRIFLX-UHFFFAOYSA-N 387.414 4.668 30 40 GJEB C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccnc1 2911319 JNXDRZFMGZPNKB-UHFFFAOYSA-N 387.306 4.581 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 3364318 YNUXFBLGUNWCJH-UHFFFAOYSA-N 399.903 4.768 30 40 GJEB Cc1cc(C)c2nc(SCC(=O)Nc3nc(C)c(C)s3)c(C#N)cc2c1 4849170 LVDPZIMUHDGVQY-UHFFFAOYSA-N 382.514 4.527 30 40 GJEB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccccc1C#N 5033244 IKNTUZTZJNXSLN-UHFFFAOYSA-N 381.775 4.941 30 40 GJEB C=CCn1c(SCc2cc(C)ccc2OC)nnc1-c1ccccc1OC 7834314 MOHWFZKWACLZTL-UHFFFAOYSA-N 381.501 4.749 30 40 GJEB S=C(N/N=C\c1cc(Cl)cc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 34720818 ZRWPRNIYISSONX-FBHDLOMBSA-N 382.360 4.760 30 40 GJEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)N1C 101512738 JZGPOZDIMVQOOP-SAPPFYIZSA-N 375.497 4.779 30 40 GJEB Cc1c(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cnn1C 118916439 WKIGFFFJAUQISK-IFPLHHFTSA-N 394.559 4.615 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 225751502 XOWJNILZXHGOIR-UHFFFAOYSA-N 382.847 4.587 30 40 GJEB COc1ccc(Cl)cc1C=Nn1c(C2CCCCC2)nc2ccccc2c1=O 409294065 NHWZJEUGVSOXLC-UHFFFAOYSA-N 395.890 4.988 30 40 GJEB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 976908 VYINEWXIOKOWQW-UHFFFAOYSA-N 397.887 4.808 30 40 GJEB CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCO4)[C@@H]21 4025653 QICBLZXMSFTNCM-PZSZKOGDSA-N 388.573 4.936 30 40 GJEB biogenic CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N\c1cc(C)ccc1C 4664484 OKTLDICZGBRMSO-YIUZENNJSA-N 394.496 4.964 30 40 GJEB CCN1CC[C@](O)(/C=C/c2ccc(C)cc2)[C@H](C(=O)/C=C/c2ccc(C)cc2)C1 5807723 YEYLFNINCAFXLC-FEEMEASMSA-N 389.539 4.672 30 40 GJEB N#Cc1cccc(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 12823229 SKZJQRAWTGSNCU-UHFFFAOYSA-N 384.313 4.984 30 40 GJEB COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 13510132 CUJQKPIQOCCCCD-OLOMBUGUSA-N 394.559 4.811 30 40 GJEB COc1cc(/C=N/Nc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 17644111 GSKZAQWSXGMBES-HYARGMPZSA-N 377.400 4.628 30 40 GJEB O/N=C1\CCC=CCC[C@@H]1N1CCN(C(c2ccccc2)c2ccccc2)CC1 22929173 WVTXFAAZYZLSMW-CTKFGXGKSA-N 389.543 4.723 30 40 GJEB C#CCOc1c(Br)cc(CN[C@@H](C)c2ccccc2)cc1OCC 36612621 UGAFCNAWUKPYNY-HNNXBMFYSA-N 388.305 4.711 30 40 GJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N\c2ccccc2S)cc1 104203846 WHMNYDFSNPQMJK-STZFKDTASA-N 382.510 4.835 30 40 GJEB N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 408764706 SKKUIARTWXVXEU-BIENJYKASA-N 396.790 4.855 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)S2)cc1 408965303 KAGQMOSZGCIVQF-XDHOZWIPSA-N 394.427 4.986 30 40 GJEB CCOc1cc(/C=N/Nc2nc(C)cs2)ccc1OC(=O)c1cccc(C)c1 409057047 GNPHUWDFHJTGMQ-WSDLNYQXSA-N 395.484 4.824 30 40 GJEB COc1ccc2cc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2c1 5128967 IKVLEJHXISCRHT-BJMVGYQFSA-N 378.424 4.770 30 40 GJEB O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccccc1Cl 5249753 FZJUMYGDWOPJRJ-GRSHGNNSSA-N 377.783 4.570 30 40 GJEB CCc1nnc(/N=C(\O)c2sc3nc4c(cc3c2N)CCCCCC4)s1 6727400 BRCWUDRAGFYNKC-UHFFFAOYSA-N 387.534 4.588 30 40 GJEB N#Cc1cccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)c1 8811820 IZHRMBOLLSKTPR-AFUMVMLFSA-N 375.859 4.914 30 40 GJEB CC(=O)CS/C(=N\c1ccc(Cl)cc1)NC(=O)c1c(F)cccc1Cl 13467764 WKKVCWKOLYDIGO-UHFFFAOYSA-N 399.274 4.872 30 40 GJEB in-vitro Cc1ccc(CN2CCN(/N=C\C(Br)=C\c3ccccc3)CC2)cc1 19594620 DVVNCGSTTLCXHD-DCUOGXPFSA-N 398.348 4.534 30 40 GJEB N#Cc1nc(CCC2CCCCC2)oc1N1CCN(c2ccccc2F)CC1 96346356 UVZPXVPHRKYLAQ-UHFFFAOYSA-N 382.483 4.525 30 40 GJEB CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc(C)c1C 97050936 FKKDYCRKSJFYTI-QGMBQPNBSA-N 382.279 4.760 30 40 GJEB CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)cc1 102401924 DRRHHJHIWKVGRO-HOGKFDNTSA-N 398.462 4.831 30 40 GJEB O=c1oc2ccccc2c(O)c1[C@@H](C/C(=N\O)c1ccccc1)c1ccccc1 104168446 JVLKJJUUXZSGTK-UINQJLALSA-N 385.419 4.899 30 40 GJEB O=C(/C=C1/Nc2ccccc2C(=O)N1c1ccc(Cl)cc1)c1ccncc1 104284778 KNVQJENRGUMVCF-MOSHPQCFSA-N 375.815 4.532 30 40 GJEB O=C(CSc1ccccc1/N=C/c1cccnc1Cl)Nc1nccs1 215722677 UZLAFJXHCKMHCZ-UFFVCSGVSA-N 388.905 4.673 30 40 GJEB C[C@@H]1CCc2c(sc(/N=C/c3ccc(I)o3)c2C#N)C1 1094573 PDALVXHJYYPLBX-SEYNJHBTSA-N 396.253 4.693 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)c(C#N)cc2c1 1354832 SNOJAPHXJNZSRP-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB CCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4720690 COZBGHHCCFJHAR-NSWVHSCQSA-N 386.532 4.799 30 40 GJEB COc1cc(C#N)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 5198520 YNOTUHYBJWKERS-HSZRJFAPSA-N 386.451 4.943 30 40 GJEB C=CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H](C)Oc1ccccc1 32604321 HBALQUXIAWGKNP-MRXNPFEDSA-N 379.485 4.579 30 40 GJEB CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)c1 36000626 UDXRTGCTAXXUPU-KEBDBYFISA-N 375.812 4.751 30 40 GJEB CCCCOc1ccc(/C=N\Nc2cc(C)nc(-c3ccccc3O)n2)cc1 36237444 VJVNVBSOPJUHJQ-HAHDFKILSA-N 376.460 4.783 30 40 GJEB CCCCCCOc1c(Br)cc(/C=N\O)cc1Br 108159290 QMHLRQBVRPULTP-SXGWCWSVSA-N 379.092 4.979 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(F)c1 408623476 UQJAFRLFORKRTC-UHFFFAOYSA-N 375.334 4.897 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3F)nc3ccccc23)cc1 5033398 ZZKCHERYTCLZGA-YDZHTSKRSA-N 387.374 4.790 30 40 GJEB Cc1ccc(/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)cc1 5531941 BUECXYCOVLMIIA-UHFFFAOYSA-N 394.066 4.593 30 40 GJEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5967396 BRUJAXYMEWFMGJ-NDENLUEZSA-N 380.440 4.542 30 40 GJEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)cc1 10118709 MYQSSLQXTSFYLW-ZVHZXABRSA-N 395.846 4.951 30 40 GJEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCc3ccsc3)c2)c1 13001035 KQBICZXWXZIVCM-UHFFFAOYSA-N 389.476 4.506 30 40 GJEB C=CCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 16890295 SHAUQJDZPQOCQW-UHFFFAOYSA-N 376.851 4.810 30 40 GJEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1Cl)c1c(O)n[nH]c1N2 18196460 SBTAECIZUIYRQZ-QFYYESIMSA-N 397.887 4.788 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc([N+](=O)[O-])c1)OCO3 18197435 TUOUDXQVNNBGSX-HXUWFJFHSA-N 392.411 4.524 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc(Cl)cc1 18202932 GNMCIIIYGHAWRJ-AWEZNQCLSA-N 396.800 4.608 30 40 GJEB CC(=O)c1ccc(OCC(=O)OCc2ccc(-c3ccccc3C#N)cc2)cc1 23452933 XRWPQVIWTRVIJG-UHFFFAOYSA-N 385.419 4.550 30 40 GJEB C=C(Br)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95707931 VCQVNKMSJHZKBS-GSVOUGTGSA-N 390.974 4.930 30 40 GJEB CC[C@H](C)Oc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409041984 WQZOJVVQTBDUJQ-CZOMLTPISA-N 390.299 4.586 30 40 GJEB Oc1ccccc1NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083811853 ZBMJREQURAHAMW-UHFFFAOYSA-N 391.180 4.908 30 40 GJEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)[C@@H](C)CCc4ccco4)[C@H]3C[C@H]12 4084524 KZISYGGODUZFQO-PHKWEXSMSA-N 385.548 4.847 30 40 GJEB biogenic COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 4808415 PIWGOEYFXJZMCF-CSKARUKUSA-N 379.368 4.768 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 4823020 WRQOVZPNXDOQKF-SYZQJQIISA-N 375.399 4.983 30 40 GJEB CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 5234227 JIPUFPCAMZKHEO-PKNBQFBNSA-N 376.368 4.709 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1 6295891 DVADHLYTSAYNQR-UHFFFAOYSA-N 384.892 4.515 30 40 GJEB C=CCc1cc(C=O)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8470640 IXRNTFCRXICOLW-UHFFFAOYSA-N 381.306 4.956 30 40 GJEB CSc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 12953920 UXIOXEWLQBIIGT-UHFFFAOYSA-N 397.447 4.733 30 40 GJEB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647798 JLCROLXRHNHXKZ-WOJGMQOQSA-N 375.409 4.640 30 40 GJEB CC1=CC(=C2N=C(S)SC2=O)C=C(C)N1CCc1ccc(Cl)cc1 36633737 OBRNEHIFKPOJMS-UHFFFAOYSA-N 376.934 4.819 30 40 GJEB O/C(=N\c1ncn(-c2ccccn2)n1)[C@@H](Sc1ccccc1)c1ccccc1 95457300 PORHPWZLWQXSSU-IBGZPJMESA-N 387.468 4.784 30 40 GJEB CCCCCCCCc1c(O)nc(SCCN(CCC)CCC)[nH]c1=O 98044712 QCQWEUWULMZSPF-UHFFFAOYSA-N 383.602 4.593 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 98087360 FCJZEZIAZQLHTC-QULNUVMCSA-N 394.559 4.789 30 40 GJEB CC(=O)O/N=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118926846 JZHUYBXYJAGJBU-YMEHZNSYSA-N 387.520 4.800 30 40 GJEB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ncccc3[N+](=O)[O-])cc21 208252364 BNMXXBFULDLPPK-VTGBELTLSA-N 387.871 4.811 30 40 GJEB N#Cc1ccc(COc2ccc(F)cc2C(=O)c2cnn(-c3ccccc3)c2)cc1 3318479 ANVHPMVIMJUIAZ-UHFFFAOYSA-N 397.409 4.693 30 40 GJEB CCOc1cc(Br)cc(/C=N/c2ccccc2N2CCCC2)c1O 6350510 MLIOGTWLIUFKDU-FYJGNVAPSA-N 389.293 4.904 30 40 GJEB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 12406358 UFVMNIYEBSTQRA-VSSLKNPCSA-N 376.456 4.519 30 40 GJEB Cc1ccc(Cn2cc(/C=N\Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)cc1 13143030 ZNZYZSALWDCRJS-MSXFZWOLSA-N 385.427 4.747 30 40 GJEB C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCC1 66316971 DQSSSCIEZXCEQF-CYBMUJFWSA-N 389.908 4.569 30 40 GJEB CCN1CC[C@](O)(/C=C\c2ccccc2C)[C@H](C(=O)/C=C\c2ccccc2C)C1 104316012 FRUBACZOYHZTKA-ZOHNSAKHSA-N 389.539 4.672 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cccc(C)c1 2444596 ZIRBLWNUJYASEQ-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB COc1ccc(/C=C2\S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 5376422 BJIJCMWIWCJNJI-GDNBJRDFSA-N 378.375 4.606 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(F)c1 5427204 VFTVZZCNEZEYRR-UHFFFAOYSA-N 392.777 4.806 30 40 GJEB C=CCn1c(COc2ccc(C)cc2)nnc1SCc1c(F)cccc1F 6300424 SOBXGKFEWOVWOG-UHFFFAOYSA-N 387.455 4.922 30 40 GJEB C=CCc1cc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)cc(OC)c1O 8109015 CNZSYKHUDHGQEZ-FSJBWODESA-N 379.485 4.510 30 40 GJEB C#CCn1/c(=N\C(=O)c2cccc3ccccc23)sc2cc(F)cc(F)c21 12180810 FEDLMQMHGVWJGF-DARPEHSRSA-N 378.403 4.509 30 40 GJEB C=CCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(C)cc1 12419720 XWRVCHQTZXXMPN-UHFFFAOYSA-N 388.876 4.734 30 40 GJEB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1cc(C#N)ccc1F 12976657 XFSVABZZKZTXIQ-UHFFFAOYSA-N 385.460 4.762 30 40 GJEB CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1 13748975 DEXMWPWCKJZPOT-QZTJIDSGSA-N 394.519 4.597 30 40 GJEB COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC 20196194 UZMMRHYNYHXYNS-AFUMVMLFSA-N 397.906 4.888 30 40 GJEB COc1ccccc1-c1nc(-c2cccc(NC(=O)c3cccc(C#N)c3)c2)no1 32647471 OTWJHUHQQGSGKT-UHFFFAOYSA-N 396.406 4.536 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N/c1ccc(C)c(C)c1 96591950 HHSAIZMCDOLEOR-WKMDNZPYSA-N 396.512 4.945 30 40 GJEB N#Cc1nc(-c2cccc(Cl)c2)oc1N1CCN(c2cccc(Cl)c2)CC1 2425708 HUGAMHAXDQVOMP-UHFFFAOYSA-N 399.281 4.847 30 40 GJEB CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 4060008 AYVPXBJVRISSGF-NRFANRHFSA-N 397.515 4.643 30 40 GJEB CC(C)N1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C#N)C1 4087005 FVASXBPLZNPYJA-UHFFFAOYSA-N 385.558 4.507 30 40 GJEB Cc1ccc2cc(C#N)c(NCCNC(=O)Nc3ccccc3Cl)nc2c1C 35291908 SKFNBGOHXLTWJH-UHFFFAOYSA-N 393.878 4.610 30 40 GJEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccccc1Cl 101315260 FHZZHPHDGIXIOR-OPURJYLOSA-N 396.874 4.571 30 40 GJEB CCOc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2ccc(C)cc2nc1Cl 883047 GPYCONBHCVTLAB-QGZVFWFLSA-N 393.874 4.916 30 40 GJEB C[C@H]1C(=O)[C@](c2ccc(Br)s2)(C2CCCCC2)CC[N+]1(C)C 1594092 XGINROOJRPNIDJ-UGSOOPFHSA-N 385.391 4.766 30 40 GJEB CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2)c1=O 4667426 VVKIKHNMBRFIRA-BJMVGYQFSA-N 392.680 4.791 30 40 GJEB N#CCCn1cc(/C=C/C(=O)NCc2ccc(C(F)(F)F)cc2)c2ccccc21 12517374 CAJYYRNUNOIZBB-DHZHZOJOSA-N 397.400 4.903 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O 14008756 SGNUBYLFRZJILF-UYRXBGFRSA-N 381.476 4.626 30 40 GJEB CCCCCCCCOC(=O)c1nnsc1NC(=O)Nc1ccccc1 101392494 XJABFIDGTKNYDV-UHFFFAOYSA-N 376.482 4.699 30 40 GJEB C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1 224852416 VBZBYXGMWZEBME-UHFFFAOYSA-N 395.480 4.869 30 40 GJEB N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c(F)c1 408619226 AESGICZMQXTQQF-UHFFFAOYSA-N 393.805 4.855 30 40 GJEB CCO[P@@](=O)(C#Cc1ccccc1)[C@@H](O)c1ccc(Br)cc1 2320467 FDZBNGFRCJXPSR-VGSWGCGISA-N 379.190 4.764 30 40 GJEB C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccccc1F 2623156 MHWMFCUOMIEDSY-UHFFFAOYSA-N 392.459 4.727 30 40 GJEB N#Cc1ccc(C(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1 3211887 LRTVIEFECDLMGU-CIAFOILYSA-N 398.443 4.631 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C(\C=C\c2cccs2)c2ccco2)c([N+](=O)[O-])c1 4568399 DPUCZUOWSHGZNS-XBJJZZBLSA-N 384.373 4.687 30 40 GJEB COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 5160899 VDONHKXYUFZVPT-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1 5461971 LQIIFMZOFQITAG-UNOMPAQXSA-N 382.485 4.622 30 40 GJEB CSc1ncc(Cl)c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)n1 9341280 TZXSPRJSEZAUDN-UHFFFAOYSA-N 381.844 4.610 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1cc2c(cc1Cl)OCO2 15015636 RZMSCIHOXHBQQS-UUASQNMZSA-N 393.251 4.614 30 40 GJEB CCc1ccccc1N(C(C)=O)c1nc(COc2ccc(C#N)cc2)cs1 31676171 NAKBAFCZCRSXBL-UHFFFAOYSA-N 377.469 4.841 30 40 GJEB Cc1ccc(CCC(=O)[C@H](C#N)c2nccn2Cc2ccccc2)cc1Cl 40089628 NBXPPXCJYJCSDD-IBGZPJMESA-N 377.875 4.702 30 40 GJEB O=S(=O)(/N=C(\O)C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 48514403 NIACPWRVFNXPRL-UHFFFAOYSA-N 387.423 4.567 30 40 GJEB Cc1cc(Cl)ccc1N/N=C1\C(=O)N(C2CSC2)c2ccc(Cl)cc21 223738453 ADEJRUFLBWOVPC-XLNRJJMWSA-N 392.311 4.580 30 40 GJEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1F 408561194 YSRVMWHOLKCAPB-UHFFFAOYSA-N 390.528 4.847 30 40 GJEB O=[N+]([O-])c1cc2c(cc1/C=N/c1cccc(-c3nc4ccccc4o3)c1)OCO2 793525 HHHRIWANOMOCDM-SSDVNMTOSA-N 387.351 4.882 30 40 GJEB Brc1cccc(/C=N/CC/N=C/c2cccc(Br)c2)c1 1954919 USPFRALVKHMQCL-AYKLPDECSA-N 394.110 4.750 30 40 GJEB COc1cc(/C=C2/C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1 2197706 DRLRKXSRBGBXMI-XSFVSMFZSA-N 385.419 4.619 30 40 GJEB CCCOc1ccc(/C=N/NC(=S)Nc2ccccc2C)c(OCCC)c1 3266199 BUSNSVCXDOCPIA-PXLXIMEGSA-N 385.533 4.893 30 40 GJEB CCOc1ccc2c(c1)s/c(=N\N=C\c1ccc(Cl)cc1Cl)n2C 4688455 SAAWEADHUYZKAK-ZSNNVYISSA-N 380.300 4.880 30 40 GJEB CC1C/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 4825956 WATOJXAPBDFTQJ-BQWARBPISA-N 378.384 4.969 30 40 GJEB C#CC(CC)(CC)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 8324132 UWNWIZSEHKXITB-UHFFFAOYSA-N 381.328 4.968 30 40 GJEB Cc1cc(N[C@H](c2ccccc2)c2nccn2C)n2c(nc3ccccc32)c1C#N 12604015 HDZUCLZYSPZWIJ-JOCHJYFZSA-N 392.466 4.603 30 40 GJEB N#Cc1ccc(F)c(CN2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1 26604874 OUASJKHQNRIAFJ-SFHVURJKSA-N 392.261 4.607 30 40 GJEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 48339732 URIVEHGIUASIHG-OAQYLSRUSA-N 398.526 4.779 30 40 GJEB O=[N+]([O-])c1ccccc1/C=N/N=c1/[nH]c(-c2ccc(Cl)cc2Cl)cs1 59193698 CBKQVKIRPBPZES-UFWORHAWSA-N 393.255 4.893 30 40 GJEB Cc1ccc(Cc2c(N)cc(C#N)n2Cc2ccc(Br)cc2)cc1 225855484 CCGQMCKNXURTDJ-UHFFFAOYSA-N 380.289 4.652 30 40 GJEB C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(F)cc1 408560921 RLXSLLZUMGKZAB-UHFFFAOYSA-N 390.528 4.847 30 40 GJEB COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1O 408915692 QOGSUAHOFGNEIW-WBCKRXDOSA-N 382.485 4.722 30 40 GJEB O=C(O/N=C/c1c(-c2ccccc2)nc2ccc(Cl)cn12)c1cccs1 1402742 QMVHHCHGQBEKEG-SRZZPIQSSA-N 381.844 4.907 30 40 GJEB O=C1C=CC2=N[C@]34c5ccccc5CC[C@H]3CC3=C(c5ccccc5CC3)N4C2=C1 2336563 JXSBMYTUCHGFFX-CCLHPLFOSA-N 390.486 4.942 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(Cl)c1 4918306 AMCZKCFVZWYSMG-TZIWHRDSSA-N 384.859 4.668 30 40 GJEB O=C(O)CCn1cc(/C=C/C(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 5786106 ZZUFPRQNKLLNBI-RMKNXTFCSA-N 398.821 4.713 30 40 GJEB C=CCn1c(C)nnc1S[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 6909023 JEYQBCZRVZPXHV-FQEVSTJZSA-N 392.528 4.861 30 40 GJEB CC1(C)CC(=O)C2=C(C1)N=C1Nc3ccccc3N1[C@@H]2c1cccc([N+](=O)[O-])c1 9378962 IWIWKVINOMJLJY-HXUWFJFHSA-N 388.427 4.581 30 40 GJEB CSc1nc(Nc2ccc(N(C)C)cc2)c(C#N)c(-c2ccc(C)cc2)n1 19820391 ZCANZAQMENVNSF-UHFFFAOYSA-N 375.501 4.855 30 40 GJEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3cccs3)N3CCCC3)o2)cc1 27992900 CWZNMHBFTUAXAB-SFHVURJKSA-N 394.500 4.532 30 40 GJEB C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224642260 WAYQBECCJOUAIS-UHFFFAOYSA-N 386.300 4.692 30 40 GJEB CC(C)CC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 408627741 NJLSCNOQPAJXOR-GFCCVEGCSA-N 377.579 4.630 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2cn(Cc3ccccc3F)c3ccccc23)nc1 408914002 WWTHYCSTEWRBAB-MYKKPKGFSA-N 389.390 4.578 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccccc3C)S2)cc1 408963212 AWDHUCKRNFVLEW-XSFVSMFZSA-N 389.480 4.686 30 40 GJEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 409082166 RWDHNPUCDHNOCK-NKFKGCMQSA-N 378.431 4.533 30 40 GJEB COc1ccc(/C=C/C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409404387 KVHWXMZGUPLIDM-ITMVWLFHSA-N 381.435 4.619 30 40 GJEB COc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl 575242634 APNDTKHLTZVZTK-UHFFFAOYSA-N 388.613 5.000 30 40 GJEB N#Cc1ccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1Cl 619781181 XRGOLPHUTBOXTG-UHFFFAOYSA-N 376.268 4.852 30 40 GJEB COc1ccc(C(=O)Oc2ccc(/C=N/c3cccc(C)c3)cc2[N+](=O)[O-])cc1 1052253 WCRGPDXJMDAWQA-OEAKJJBVSA-N 390.395 4.882 30 40 GJEB N#Cc1c2nc3ccccc3nc2n2ccc(NC(=O)c3ccccc3Cl)cc12 2352812 HLFGQICCFZTXTP-UHFFFAOYSA-N 397.825 4.813 30 40 GJEB CCCCCCCCn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2ccccc21 18043781 QCBMIVAYLNLUPA-UHFFFAOYSA-N 393.487 4.715 30 40 GJEB CCCC/N=C1\S/C(=C/c2ccc(OC)cc2OC)C(=O)N1CCCC 35041927 LYBFJJBCHMQSKJ-BIXZQSIESA-N 376.522 4.576 30 40 GJEB C=CCOc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cc1 225566258 JQVRYUMCDLTSCQ-UHFFFAOYSA-N 384.545 4.958 30 40 GJEB C=CCO/N=C1\C[C@H](C[C@H](C)SCC)CC(=O)[C@@H]1/C(CCC)=N/OCC 227260053 WIZFOFCVSLIKJU-HTHGWDRXSA-N 382.570 4.865 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)cc1 408761256 DJIIWQNLMBEVGU-MOSHPQCFSA-N 375.497 4.941 30 40 GJEB Cc1ccc(C[C@H]2S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 409149853 SMEAOIQBQRCFCH-PJWCADQQSA-N 378.419 4.818 30 40 GJEB Cc1ccc(OCCn2cccc2/C=N/N=c2/[nH]c3ccccc3s2)c(C)c1 1261733 CQXCXKKMGUXIMO-HZHRSRAPSA-N 390.512 4.662 30 40 GJEB CCCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(F)cc2)C1=O 2308205 OMTCQJITTBMBGB-BGBIMMFTSA-N 389.521 4.912 30 40 GJEB N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCc1cccnc1 2427621 YHAVEXSDYJFVLJ-UHFFFAOYSA-N 382.423 4.799 30 40 GJEB C=CCn1c(C)cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c1C 2622653 DYCRWCZPRDUZLC-UHFFFAOYSA-N 398.557 4.730 30 40 GJEB C=CCn1c(SCC(=O)c2cc(C)ccc2C)nc2cc(Cl)ccc2c1=O 5262051 VOJCLKCGKQRDBZ-UHFFFAOYSA-N 398.915 4.828 30 40 GJEB O=C(O/N=C1\C(=O)N(c2ccccc2)c2ccccc21)c1ccc(Cl)cc1 5483740 FGAWOQVKYFCVJW-NMWGTECJSA-N 376.799 4.579 30 40 GJEB C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(F)cc1 13596623 YCNPXZHAZOHSRE-OVVQPSECSA-N 385.486 4.937 30 40 GJEB CCOc1ccc(/N=C2/NC(=O)S/C2=C\c2ccc(OC)c(OC)c2)cc1 18023516 YCKBUTZZMJVJQC-PDGQHHTCSA-N 384.457 4.630 30 40 GJEB CCCCCc1nnc(/N=C(\O)c2c[nH]c(=S)n2-c2ccc(F)cc2)s1 24924816 UOHXNWJJGWRRAZ-UHFFFAOYSA-N 391.497 4.894 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1C 408560758 OMOWJXIFZOMEGR-UHFFFAOYSA-N 388.581 4.984 30 40 GJEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\OCc2cccc([N+](=O)[O-])c2)o1 408596534 ZXBUNAUDOXRVRP-JAIQZWGSSA-N 381.344 4.622 30 40 GJEB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1/[N+]([O-])=C/c1ccc(Cl)cc1 1446295 VBMIAUUNDBYWOH-DEFALTHMSA-N 376.934 4.912 30 40 GJEB CC[C@H](Sc1nc(C)cc(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N 2768484 BTKGMEWWYJQZGA-FQEVSTJZSA-N 388.496 4.833 30 40 GJEB CCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccccc2C)C1=O 4888253 DAWCLQKZZAROHS-PPPMLJSVSA-N 379.529 4.938 30 40 GJEB Cc1ccc2nc(N/N=C/c3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 6813315 KQJLPSZLMZDRQP-ZVHZXABRSA-N 378.439 4.928 30 40 GJEB CCOc1cc(C#N)ccc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F 12777510 MWIXUXFNUWUTIF-UHFFFAOYSA-N 398.768 4.647 30 40 GJEB O=c1c2ccccc2nc(COc2cccc3ccccc23)n1/N=C/c1ccco1 36615650 HEDYNEYXMHMMON-MFKUBSTISA-N 395.418 4.604 30 40 GJEB COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(F)cc2)cc1 100295485 QUZCJGSPONEPKH-OYKKKHCWSA-N 378.403 4.602 30 40 GJEB COC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)c1C 408908365 BXGCEPWMBLUHEB-ZMOGYAJESA-N 390.439 4.638 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1Cl 2446623 FXLMUEGCQQXEBY-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB COc1cccc(CN(C)C(=O)c2ccccc2Sc2ccccc2C#N)c1 15941047 FIWNVPGBJQWQEI-UHFFFAOYSA-N 388.492 4.990 30 40 GJEB Cc1ccc2nc(N/N=C/c3ccc4nccnc4c3)nc(-c3ccccc3)c2c1 46085392 YOCZGKHFYVFGFY-JFLMPSFJSA-N 390.450 4.994 30 40 GJEB COc1cccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 408801881 WJUKFMCPYCFMOI-NAHYFOQLSA-N 388.467 4.702 30 40 GJEB COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1 408910641 LCIXYAOZQFQBCW-CFRMEGHHSA-N 390.439 4.638 30 40 GJEB COc1cccc(/C=N/c2ccc(C#N)cc2)c1OCc1ccc(C(=O)O)cc1 409185434 YXCKPQDSCYKFSN-AFUMVMLFSA-N 386.407 4.595 30 40 GJEB CCOC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 409391877 LYIJFXMOHOGMPW-UHFFFAOYSA-N 399.446 4.733 30 40 GJEB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\N1CCCCC1)C2=O 4706064 ZFGXLNALPWRPDS-RIDCCTQBSA-N 383.576 4.859 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N 4848878 NDUBEJWAQAPLDZ-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB Cc1ccc(C)c(C2=C/C(=C\c3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)c1 5393052 YWJZSRVIMBUSQE-LTGZKZEYSA-N 397.478 4.919 30 40 GJEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Br)ccc1F 12528495 OBKMASPRQYKVSX-UHFFFAOYSA-N 395.231 4.635 30 40 GJEB CCOC(=O)Nc1snc(C)c1/C(C)=N/Nc1cccc(C(F)(F)F)c1 16931275 SMDSOAASZUPPAH-ZVBGSRNCSA-N 386.399 4.875 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)o1 46085337 BOHINOLPQUYGPT-SRZZPIQSSA-N 393.790 4.897 30 40 GJEB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=S)Nc2ccccc2)cc1OC 108109303 YTJNFEBJPWOGEN-KUARTLJMSA-N 391.924 4.846 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118914421 ACQJQYXDUPWECK-IFPLHHFTSA-N 394.559 4.615 30 40 GJEB CCN(CC)c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 409101143 AAXHPRLPEJIDLT-YBFXNURJSA-N 392.253 4.660 30 40 GJEB O=C(c1ccccc1OC(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243007 RVLGDXDLFPKSFJ-UHFFFAOYSA-N 390.148 4.939 30 40 GJEB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)C#N 5416503 JVMUCYDWUTWWED-RTBURBONSA-N 397.265 4.779 30 40 GJEB CCOc1ccc(-n2c(SCCC#N)nnc2-c2ccccc2Cl)cc1 6830358 UEHKHCFXWMMPHQ-UHFFFAOYSA-N 384.892 4.992 30 40 GJEB C=CCn1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccc(Cl)cc1Cl 6905109 AVZWAJSRMGJDDZ-UHFFFAOYSA-N 393.299 4.741 30 40 GJEB N#CCc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 8126411 ORVFFVXGJOHHQL-UHFFFAOYSA-N 398.491 4.978 30 40 GJEB O=C1/C(=C/c2ccc(-c3ccccc3)cc2)CS(=O)(=O)c2ccc(F)cc21 8518934 MFNGEIZTLYGVQK-LDADJPATSA-N 378.424 4.546 30 40 GJEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccccc2Cl)c1C 8811689 AJFMXUMMDVQYTO-AFUMVMLFSA-N 395.890 4.658 30 40 GJEB COc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 10118808 USQFZKIPXHEHFH-WSDLNYQXSA-N 385.807 4.641 30 40 GJEB C[C@@H]1CN(c2ccc(/C=N/OCc3c(Cl)cccc3Cl)cn2)C[C@@H](C)O1 12857902 QUTPPJLYKRWFEZ-NGVHOTGLSA-N 394.302 4.553 30 40 GJEB C=CCn1cnnc1SCc1csc(N(C(C)=O)c2cccc(C)c2C)n1 25253596 PVCBYWHDRMSWIA-UHFFFAOYSA-N 399.545 4.514 30 40 GJEB CCOC(=O)c1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1 33325301 KGDFVZFYTIXFQZ-UHFFFAOYSA-N 390.468 4.657 30 40 GJEB N#C[C@@H](C(=O)/C=C/c1ccc(Br)cc1)c1nc2ccccc2s1 40150570 ZGSWGZXEHBQCFB-RNVIBTMRSA-N 383.270 4.948 30 40 GJEB CC(C)C[C@@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(C#N)cc1 58202570 RDJVHYIBXMAKBF-MRXNPFEDSA-N 381.501 4.669 30 40 GJEB CC(=O)/C(=C/Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 100943860 WDLJQIQUCZLWBG-YVLHZVERSA-N 384.284 4.618 30 40 GJEB CCCC/N=C1/S[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1CCCC 101519128 OVKQPALBJDVSGV-QQMHEVNUSA-N 395.956 4.569 30 40 GJEB COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3O)c3ccccc32)c1 408541988 IQPWMVNSMJRWAP-QFEZKATASA-N 384.435 4.932 30 40 GJEB COc1cc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(F)c1F 575242716 IIUCAKAUJZBEGZ-UHFFFAOYSA-N 390.148 4.624 30 40 GJEB Cc1ccc(/C(=N\NS(=O)(=O)c2ccc(C)cc2)[C@H](C)c2ccccc2)cc1 5411855 HCYYFERPYHMTTB-QNBCRBJRSA-N 392.524 4.790 30 40 GJEB Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 6691025 ZGFIBLMBTZKVQS-FQEVSTJZSA-N 391.398 4.506 30 40 GJEB C=CCn1c(S[C@@H](C(=O)OCC)c2ccccc2)nnc1C1CCCCC1 7978377 ROQQKJAHPDBNQW-GOSISDBHSA-N 385.533 4.908 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1C1CCCCC1 7979482 FFAZFDKNEPYCJA-UHFFFAOYSA-N 388.512 4.690 30 40 GJEB N#Cc1c(Cl)nc(NC2CCCCC2)c2c1CCN(Cc1ccccc1)C2 13512949 LZQVWYQWHQZPMP-UHFFFAOYSA-N 380.923 4.910 30 40 GJEB N#Cc1ccccc1S(=O)(=O)N(Cc1ccccc1Cl)c1ccccc1 15395587 GOBNNDOXOCJTCL-UHFFFAOYSA-N 382.872 4.607 30 40 GJEB Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(CC(C)C)C2=O)c1 18038286 HMGBGWHBIVTXDW-MAVBTGMRSA-N 395.528 4.611 30 40 GJEB CC(=O)Nc1sc(N/N=C\c2ccc(Cl)cc2)nc1-c1cccs1 31906049 QFAYXPJHXKXPBJ-NVMNQCDNSA-N 376.894 4.929 30 40 GJEB C=C(C)CSc1nnc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)s1 32674122 FXFAXVNCMAAEHJ-KBPBESRZSA-N 393.603 4.607 30 40 GJEB CCCC/N=C1\S/C(=C/c2ccc(OC)c(OC)c2)C(=O)N1CCCC 35041933 UZQPKMDTAVJIPS-HOOMGSECSA-N 376.522 4.576 30 40 GJEB CC(C)(C)c1ccc(OCCCN2C(=O)/C(=N\O)c3cccc(Cl)c32)cc1 46084688 JSDLMVLJHMONPG-NKFKGCMQSA-N 386.879 4.632 30 40 GJEB CCCCCCCc1nnc(SCC(=O)Nc2ccccc2Cl)n1C 408561988 MLKIDQNFLLQEDE-UHFFFAOYSA-N 380.945 4.712 30 40 GJEB Fc1cc(/C=N\c2cccc(I)c2)ccc1N1CCCC1 409072882 LLWBJKXTZHCMLX-NDENLUEZSA-N 394.231 4.781 30 40 GJEB Cc1ccc2nc(SCC(=O)Nc3sc(C)c(C)c3C#N)c(C#N)cc2c1 1222321 SXUAEMKFFHPUSH-UHFFFAOYSA-N 392.509 4.696 30 40 GJEB COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OC(=O)c1ccco1 4086285 SJAAECFTDVHRKX-CIAFOILYSA-N 393.424 4.563 30 40 GJEB CC(C)n1ncc2c(C(=O)Nc3ccc(C#N)c(Cl)c3)cc(C3CC3)nc21 8187494 VRARSZQUDYGVSR-UHFFFAOYSA-N 379.851 4.667 30 40 GJEB NC(=O)[C@@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@H]1c1ccc(Cl)cc1 12250618 KHQPXJOPKISVFX-YJBOKZPZSA-N 391.279 4.569 30 40 GJEB COc1ccc(NC(=O)[C@@H](C)O/N=C(\C)c2cc3ccccc3o2)cc1Cl 15389992 HOBIMNHDPPXQJF-GHONEHJGSA-N 386.835 4.863 30 40 GJEB Cc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc(Cl)cc1 16995308 AIWYHPFASDKEOY-YCRPNKLZSA-N 390.874 4.656 30 40 GJEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1 18197152 NCYABSFJOOVHIP-JOCHJYFZSA-N 379.456 4.667 30 40 GJEB CCCCCCOc1ccccc1/C=C1/C(=O)ON=C1c1cccc([N+](=O)[O-])c1 20071749 AYWDZKIHXFYSAI-XDJHFCHBSA-N 394.427 4.898 30 40 GJEB C[C@@H](OC(=O)c1sccc1-c1ccccc1)C(=O)Nc1sccc1C#N 32775982 CVZHAOASIGLMGH-GFCCVEGCSA-N 382.466 4.532 30 40 GJEB O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1 84415183 WWZOZGUCTFZUAM-VOTSOKGWSA-N 382.051 4.813 30 40 GJEB CCOc1ccccc1OCCCC(=O)Nc1ccccc1SCCC#N 95953510 QZSOIZVLGHDBLB-UHFFFAOYSA-N 384.501 4.889 30 40 GJEB C[C@@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 245285143 WATOJXAPBDFTQJ-BXYYLCOUSA-N 378.384 4.969 30 40 GJEB CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 2265818 XQPDKFPSDVGGKF-GOSISDBHSA-N 394.519 4.597 30 40 GJEB COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1OC 3882874 SACJWHCJGPDUSF-RIYZIHGNSA-N 388.419 4.819 30 40 GJEB biogenic C=CCOc1c(Br)cc(/C=N/Nc2ccccc2)cc1OCC 4647065 JYISZKLXFGIZSZ-DEDYPNTBSA-N 375.266 4.859 30 40 GJEB O=C(NN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccccc1)c1ccccc1 5584491 LSGMMYIIEZJVAD-VSMSAFETSA-N 399.475 4.636 30 40 GJEB COc1cc(C#N)cc(Cl)c1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 6126919 NKGKABVFZOQMJR-CQSZACIVSA-N 394.858 4.630 30 40 GJEB C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 12799235 ISSYLZXDCVTJTG-BJMVGYQFSA-N 383.904 4.815 30 40 GJEB CCCOc1ccc(-c2nc(SC)nc(N3CCCCC3)c2C#N)cc1OC 19820456 OOQJUJOCDGLIPK-UHFFFAOYSA-N 398.532 4.525 30 40 GJEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3CC(C)C)cc1OC 20746027 GQAUYQQKRWNSTM-CVEARBPZSA-N 396.487 4.956 30 40 GJEB C=CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 30605390 IYKCXOGXTWGFLQ-UHFFFAOYSA-N 383.498 4.648 30 40 GJEB C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 58003161 SWAQCBLZDDSAAX-UHFFFAOYSA-N 399.425 4.613 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccc(F)cc1 102880049 GFKAFTOLTSNDFD-YDJIHCHBSA-N 391.373 4.591 30 40 GJEB C=CCOc1cccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225569676 JBEQBGAFYYEWIZ-UHFFFAOYSA-N 384.545 4.958 30 40 GJEB Cc1ccc(S(=O)(=O)OCCCCCC(C)(C)C(=O)OC(C)(C)C)cc1 390822991 PGABRDZPCLVJCV-UHFFFAOYSA-N 384.538 4.629 30 40 GJEB COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408817893 UTQMZTUZWNLVMK-OYKKKHCWSA-N 378.403 4.602 30 40 GJEB CCc1ccc(N/N=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 4175450 SSUIWMLTMJPKTA-KOEQRZSOSA-N 392.484 4.729 30 40 GJEB COc1cc(C#N)ccc1O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 5198525 YNOTUHYBJWKERS-QHCPKHFHSA-N 386.451 4.943 30 40 GJEB Cc1ccc(N/N=C/c2cc(Br)cc(Br)c2O)c(C)c1 6566143 XKBPEQXKWKFBDG-QGMBQPNBSA-N 398.098 4.980 30 40 GJEB CCCCC[C@@H](/C=C/[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)OC(C)=O 8642369 KURMKPDMINCWHJ-UECJHEBNSA-N 390.520 4.716 30 40 GJEB CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O 13758106 RNFPKYLOZQRVPH-NKTOACBESA-N 393.439 4.708 30 40 GJEB CNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 21722176 PNQROIOCAOBPFZ-OAQYLSRUSA-N 393.462 4.782 30 40 GJEB CCc1ccc(-n2c(C)cc(/C=N\NC(=S)Nc3ccccc3)c2C)cc1 408755387 NFDWMDCCGMLQQT-HAHDFKILSA-N 376.529 4.977 30 40 GJEB C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(C)cc1 408973678 OFEPGOIYNZLBGG-NXQYYGPPSA-N 383.495 4.762 30 40 GJEB CC(=O)Nc1ccc(CNc2c(Br)cc(Cl)cc2C#N)cc1 557475314 DPXQHBFPFZLHGV-UHFFFAOYSA-N 378.657 4.545 30 40 GJEB C[C@H]1C(=O)[C@@](c2ccc(Br)s2)(C2CCCCC2)CC[N+]1(C)C 1594094 XGINROOJRPNIDJ-SCLBCKFNSA-N 385.391 4.766 30 40 GJEB C=CCn1c(COc2ccc(Cl)c3cccnc23)nnc1SC(F)F 2700550 LXCKNKYTTLVRJP-UHFFFAOYSA-N 382.823 4.559 30 40 GJEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(Br)cc1 12660971 WQWJVOSLUUNZTO-OINPPHAGSA-N 390.281 4.531 30 40 GJEB COc1cc(=O)oc(/C(C)=C/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@]3(C)O[C@H]23)c1C 252515576 LRRJYOPCACBLEA-GKKHCTEFSA-N 386.488 4.588 30 40 GJEB biogenic,in-vitro CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408709871 YNEJUJVFWKLCBY-UHFFFAOYSA-N 376.541 4.917 30 40 GJEB COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(N(C)C)cc3)c2C)cc1 408741601 KEGJCEYNOAGGQD-BUVRLJJBSA-N 375.472 4.697 30 40 GJEB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 408931115 HIUKAUXXROLARW-BUVRLJJBSA-N 390.439 4.540 30 40 GJEB O=C(O)c1cccc(-c2ccc(/C=N/Nc3ccc(Br)cc3)o2)c1 409200387 IMFREPMDSNTHJH-RGVLZGJSSA-N 385.217 4.853 30 40 GJEB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1 409323021 ZBQFASARDNSNMZ-ZDUSSCGKSA-N 384.277 4.555 30 40 GJEB O=C(c1ccc(OC(F)F)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575242742 GAYKCLMGXFRUFO-UHFFFAOYSA-N 390.148 4.939 30 40 GJEB CSc1ccc(/C=N/Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1 4372486 VXJZSSHWKCTIJV-UDWIEESQSA-N 383.498 4.605 30 40 GJEB COc1cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1O 4919673 UXNHIZBJTOWDFL-FBCYGCLPSA-N 375.639 4.816 30 40 GJEB CN(C)[C@@H](CNc1oc(Cc2cccc3ccccc23)nc1C#N)c1ccco1 8915851 BIYPSQYYTKAKDP-FQEVSTJZSA-N 386.455 4.598 30 40 GJEB C=CCN1C(=O)c2ccccc2N[C@H]1c1c(-c2ccccc2)nc2sccn12 9467759 NJTFJJIDGUIDIN-HXUWFJFHSA-N 386.480 4.815 30 40 GJEB CC(C)c1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c(O)c(C(C)C)c1 14074870 MMYMUPBACOBVJP-OAHLLOKOSA-N 394.471 4.695 30 40 GJEB CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(Br)cc1 19927664 FUFMIMSFTGXXLX-UHFFFAOYSA-N 399.317 4.891 30 40 GJEB Cc1ccccc1Nc1nc2sc(C(=O)N(C)C3(C#N)CCC3)cc2s1 89690643 KTJCZTSMROLHFG-UHFFFAOYSA-N 382.514 4.928 30 40 GJEB O=C(O)/C=C\C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 100033788 VMBSSRTXPFBWQQ-UPHRSURJSA-N 390.095 4.571 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 102573714 ARSVNSFGDMALSN-WOOAAIBNSA-N 383.875 4.870 30 40 GJEB N#Cc1ccccc1CO/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408596427 ZATUCPZHAHPPPN-JJFYIABZSA-N 381.775 4.931 30 40 GJEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC 408862257 DUXHZYBGZVBVNS-YVLHZVERSA-N 388.876 4.557 30 40 GJEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OC 408908349 RNVPCYRSDQKCBW-NFYBBCHUSA-N 382.485 4.636 30 40 GJEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc3ccccc13)n1ncnc1N2 4435972 RYAXZGMQPYUCFF-OYHNWAKOSA-N 398.491 4.909 30 40 GJEB O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccncc1)n1c(nc3ccccc31)N2 7496157 VJUNCINGMRSGAV-UUOWRZLLSA-N 392.462 4.847 30 40 GJEB CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C#N)[nH]2)cc1 89694818 XATVVAVNLSTPFQ-UHFFFAOYSA-N 386.455 4.688 30 40 GJEB CC(=O)O/N=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118926840 JZHUYBXYJAGJBU-IXDNIIPPSA-N 387.520 4.800 30 40 GJEB Cc1ccc2c(c1)/C(=N/Nc1ccc(Cl)cc1Cl)C(=O)N2C1CSC1 223720580 BHCRHCAYEJDZBU-XLNRJJMWSA-N 392.311 4.580 30 40 GJEB COc1cc(Nc2c(C#N)cnc3c(Cl)cccc23)ccc1N1CCCC1=O 1184711080 PFFCPIFWQYBRER-UHFFFAOYSA-N 392.846 4.639 30 40 GJEB COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3C)n2)cc1 968849 QVZALEUIEIJRBP-UHFFFAOYSA-N 389.480 4.668 30 40 GJEB C=C1[C@@H](C(=O)Nc2cccc(SC)c2)[C@H]1C(=O)Nc1cccc(SC)c1 2665307 LSIIURWSSDYPPN-HDICACEKSA-N 384.526 4.510 30 40 GJEB Cc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ncnn32)cc1 4520767 OSHXQSBOVXMEIY-KKSFZXQISA-N 390.874 4.656 30 40 GJEB CCOc1ccc(/C=N/n2c(-c3cccc(OC(C)C)c3)n[nH]c2=S)cc1 6892433 UHZRGGSOLLHQDK-FYJGNVAPSA-N 382.489 4.676 30 40 GJEB CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1 6961666 WVZVBWJQNWPYDC-XQNSMLJCSA-N 395.480 4.912 30 40 GJEB Cc1cc(C)c(C)c(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)c1 24522667 DQPHBUXKJRMPTB-UHFFFAOYSA-N 379.423 4.881 30 40 GJEB O=C1CCCCCN1C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F 98002570 DCAUMFLZGNQRRN-UHFFFAOYSA-N 393.196 4.965 30 40 GJEB C=CCOc1cccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)c1 225532136 XAMGQJKOHPKOSC-UHFFFAOYSA-N 386.517 4.534 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(N(CC)CC)cc1 4061034 QCEMVYNWWFXSDK-UGKGYDQZSA-N 397.540 4.914 30 40 GJEB Cc1ccccc1N/N=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 4175321 QEEOCQZKZHKCKL-UQQQWYQISA-N 386.436 4.565 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 4285972 CLGYEPOMZPNIHC-UHFFFAOYSA-N 384.892 4.515 30 40 GJEB CCCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC 4535184 PCMUDRHMUOPVGL-UHFFFAOYSA-N 395.499 4.527 30 40 GJEB CCc1ccc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c(C#N)cc2c1 4848908 BLHOPEAJFNUBOG-HNNXBMFYSA-N 387.508 4.739 30 40 GJEB C=C[C@H]1C[N+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12 5382884 RTHFVUKMXCJYPA-VFIWSVSYSA-N 385.531 4.880 30 40 GJEB COc1ccc(N/C(C)=C/C(=O)c2ccc(Br)cc2)c(OC)c1 6691182 JFYGLVPMPVLZBI-ZRDIBKRKSA-N 376.250 4.665 30 40 GJEB CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 6820255 PNLMIGUTVCVJJF-QAPCUYQASA-N 395.886 4.743 30 40 GJEB N#Cc1cccc(C(=O)Nc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)c1 28221577 VVEGCXIMIRRAQA-UHFFFAOYSA-N 384.370 4.667 30 40 GJEB N#CCCN(C(=O)CN1CCC[C@@H]1c1cccc(Cl)c1)c1ccccc1F 58014238 INFWRHPPVHXGGL-LJQANCHMSA-N 385.870 4.563 30 40 GJEB Cc1ccc(O/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 102919924 ZBBAAQLZZKEAPA-LSDHQDQOSA-N 385.872 4.863 30 40 GJEB O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1F 408723420 UGXAQCZMJRGYJE-ATJXCDBQSA-N 378.359 4.538 30 40 GJEB C=CCn1c(C)cc(C(=O)COC(=O)CCC(=O)c2ccc(CCC)cc2)c1C 3325380 PTIULDUWFSKHOW-UHFFFAOYSA-N 395.499 4.632 30 40 GJEB CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/Nc1ccc([N+](=O)[O-])cc1 4179801 FEVZSGQVVJCKTO-XSFVSMFZSA-N 385.424 4.575 30 40 GJEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccs2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4180943 OERFJXTZGQYROY-AQNXPRMDSA-N 387.508 4.765 30 40 GJEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 18054056 FIFYUSWNUKNFDD-OAQYLSRUSA-N 387.410 4.917 30 40 GJEB CCN(CC)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1Br 33703102 SNQDSGIZIMZASA-UNOMPAQXSA-N 391.269 4.650 30 40 GJEB CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)c(O)c1 59459421 NLGZMJOLBDJUSA-NDENLUEZSA-N 395.528 4.747 30 40 GJEB CC(C)Oc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 98085666 BKRMZSNKGBSLLK-PCLIKHOPSA-N 383.451 4.733 30 40 GJEB O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 104091511 OZCOCDVIQBNNRD-NHFXJNLRSA-N 391.373 4.591 30 40 GJEB COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 408998844 SJYFOEBZWJUETN-OYKKKHCWSA-N 378.403 4.602 30 40 GJEB Cc1cc(C#N)cc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)n1 1527213756 BOYBZXJISCAUSE-UHFFFAOYSA-N 382.398 4.868 30 40 GJEB C=CCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 4000150 NJVWBLJUYWHSPY-OSVJCPFSSA-N 388.511 4.587 30 40 GJEB biogenic COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCCCCC4)o3)S2)cc1 4704729 TXEGHSAWITZBDO-NBVRZTHBSA-N 397.500 4.560 30 40 GJEB N#C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)C(=S)Nc1ccccc1Cl 6513761 JBTPUMQIJZGWRT-GFCCVEGCSA-N 397.809 4.877 30 40 GJEB C=C(C)CSc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1F 8428872 NCGNSIAOJVYPHN-UHFFFAOYSA-N 385.464 4.662 30 40 GJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccc([N+](=O)[O-])cc2)c1C 15224774 ITOGNZWAJLWSBK-UUYOSTAYSA-N 377.400 4.760 30 40 GJEB COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408780702 IOBCAHNLUNDADK-MTJSOVHGSA-N 394.387 4.670 30 40 GJEB COc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OC 409218902 YBDFMGWIHDEGNK-VXLYETTFSA-N 395.240 4.676 30 40 GJEB COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O 2155916 JALXXSGKQPIKDC-DQMRVRKMSA-N 388.375 4.680 30 40 GJEB biogenic Cc1ccc(S(=O)(=O)Oc2ccccc2C(=O)/C=C/c2ccccc2)cc1 5218188 GCUBGZMPQDARFV-DTQAZKPQSA-N 378.449 4.659 30 40 GJEB CCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1O[C@H]1c1ccccc1 36532945 NCQXLXKULSCVPF-RBIDETCASA-N 384.392 4.601 30 40 GJEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C=C(OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922948 CTTMENFEBDZXHA-RFXJPFPRSA-N 396.527 4.941 30 40 GJEB C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)s1 224693301 QPXXIRDWXLEQCP-ZDUSSCGKSA-N 383.926 4.574 30 40 GJEB C=CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224949345 NOCCLCGZNWNSOW-UHFFFAOYSA-N 379.909 4.853 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C2=C(CCCC2=O)N1 876544 RQUYKRCFUOCIOT-NRFANRHFSA-N 378.497 4.663 30 40 GJEB COc1cc(/C=N/n2cnnc2SCc2ccc(C)cc2)ccc1OC(C)C 940387 FAQDJLVTDSKRRD-FSJBWODESA-N 396.516 4.557 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1OCC 4918609 VQKRHHLOQQMXAL-KNQAVFIVSA-N 382.431 4.544 30 40 GJEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1cccc(Cl)c1 5421193 WLHPJFKNQFMUCM-UHFFFAOYSA-N 398.850 4.619 30 40 GJEB CCOc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccccc2Cl)cc1 5620553 LUPQHNNQBFPRNJ-CYBMUJFWSA-N 384.892 4.991 30 40 GJEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O 5997775 HKKNDJIXHPFHEL-GQFJFNLSSA-N 380.440 4.541 30 40 GJEB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1CCCC1 13655725 NKYKTRQXWHAMAZ-ZDLGFXPLSA-N 390.266 4.911 30 40 GJEB CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 17723883 TWCNNKMVJGPHSN-NRFANRHFSA-N 397.515 4.730 30 40 GJEB N#C[C@H](C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(C(F)(F)F)cn1 48828727 QRIDOARAMLEDRA-KRWDZBQOSA-N 384.357 4.754 30 40 GJEB CC(C)(C)n1nc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1C1CC1 84325531 ARHLPVJOCBFIFN-UHFFFAOYSA-N 382.533 4.970 30 40 GJEB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1sc2c(c1C#N)CCC2 101122340 OIRZCHSMSSROHP-CPNJWEJPSA-N 398.491 4.980 30 40 GJEB CC1(C)C=C(O)[C@H]([C@@H](C#Cc2ccccc2)C2=C(O)CC(C)(C)CC2=O)C(=O)C1 102473386 IGTTWKKYQJDBTO-VGSWGCGISA-N 392.495 4.913 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1 104132052 KWTMBYDAPOOIPX-ZHHPLPSFSA-N 397.474 4.659 30 40 GJEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C 408621721 NNNKUJHWIYADLM-FMIVXFBMSA-N 376.412 4.907 30 40 GJEB COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3C)nc2c1 977011 AWJSRFJATVDCAG-UHFFFAOYSA-N 397.887 4.808 30 40 GJEB Cc1ccc(C)c(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)c1 1423945 NKSOQKMDCHAONX-UHFFFAOYSA-N 395.510 4.611 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 3298002 VRMGPRSTVWNMJI-UHFFFAOYSA-N 387.867 4.899 30 40 GJEB C/N=C1\S/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)N1C 4687822 FUMRSZJYBVUKMO-SASMBBMYSA-N 375.497 4.530 30 40 GJEB Cc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 18193915 XFCFGLZAUQOOAD-IPACTHBOSA-N 383.495 4.681 30 40 GJEB Cc1c(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cnn1C 239611789 FEOGWSYHLNRMLI-QMNWTONBSA-N 396.575 4.695 30 40 GJEB CCCCCCCCCCS(=O)(=O)N/N=C/c1c(O)ccc2ccccc12 3212661 CFACSXYFXGZKPN-OQKWZONESA-N 390.549 4.939 30 40 GJEB C/C(=N\Nc1nnc2c(n1)[nH]c1ccc(C)cc12)c1ccc2c3c(cccc13)CC2 4321992 FCTQJTRAHXFHKI-MZJWZYIUSA-N 392.466 4.902 30 40 GJEB C(=N\N1CCN(/N=C\c2cccc3ccccc23)CC1)\c1cccc2ccccc12 4990765 MYWMQPDVLCZSLS-RSSRHXQMSA-N 392.506 4.979 30 40 GJEB C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Cl)c1 5477846 VVTOTUBFPSKVJU-UHFFFAOYSA-N 386.864 4.985 30 40 GJEB C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1 6295350 AVDUGIFCWWUXOU-YBFXNURJSA-N 393.078 4.974 30 40 GJEB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/C(=O)c2cccnc2)cs1 7739860 PZCSJNZUHKBKHZ-VQHVLOKHSA-N 377.469 4.736 30 40 GJEB N#Cc1ccccc1[S@](=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1 8781689 ZBCWGMVLNWXBFL-AREMUKBSSA-N 380.856 4.631 30 40 GJEB N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2CC(F)(F)F 9339119 WMZMBCYTJJOOCS-UHFFFAOYSA-N 399.416 4.848 30 40 GJEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)c(C)c1 12447084 IUMYWMYOKBEWND-VLZBMTSBSA-N 395.528 4.510 30 40 GJEB C=CCSc1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 16007916 GPBMSEFWMIDGNU-UHFFFAOYSA-N 383.498 4.648 30 40 GJEB C=CCOc1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260735302 GLJVMHHUXZVOPM-SFHVURJKSA-N 395.572 4.974 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(OC)c3O)S2)cc1 408767414 XHDLYVIHHPJUHF-SXGWCWSVSA-N 388.876 4.508 30 40 GJEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1F 408810502 JHTSSQNMXJFVEY-UNOMPAQXSA-N 383.444 4.799 30 40 GJEB CC(=O)Nc1sc(N/N=C\c2ccccc2Cl)nc1-c1cccs1 5024429 UGEVKEQAVXQQIO-NVMNQCDNSA-N 376.894 4.929 30 40 GJEB C[C@@H](Oc1ccc2ccccc2c1Br)C(=O)Nc1ccccc1C#N 5347017 GAKFDLBXNDUKAR-CYBMUJFWSA-N 395.256 4.880 30 40 GJEB COc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccncc2)cc1 6831891 HZLPECULUCIDBQ-UHFFFAOYSA-N 399.479 4.502 30 40 GJEB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 12760749 GOTVTYMTPBKLCO-OAQYLSRUSA-N 397.906 4.776 30 40 GJEB O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1ccc(N2CCCCC2)o1 15828388 AUHAGQPCMJXVCE-VBKFSLOCSA-N 387.892 4.815 30 40 GJEB CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCCC 29747713 DBBSAZYUFHGLGK-FQEVSTJZSA-N 388.508 4.617 30 40 GJEB CCCC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1O[C@@H]1c1ccccc1 36532949 NCQXLXKULSCVPF-JCOFVKJTSA-N 384.392 4.601 30 40 GJEB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(/N=C2\C=C(O)C(=O)c3ccccc32)cc1 100152553 HHUZEGXVVUZZPD-XRIMJIOESA-N 388.467 4.849 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)cc2)cc1 102929946 BADJOIMZAFTGHM-MRJHHRETSA-N 387.435 4.518 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 103087415 UTEYLDJKUDAULP-LFVOPCPISA-N 399.874 4.570 30 40 GJEB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc21 198075887 ZDNKCJUOZVAGEU-WLXKGNRNSA-N 377.532 4.996 30 40 GJEB C#CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(c2ccccc2OC)C1=O 409059557 SDHIQNFCXIDOAX-PDGQHHTCSA-N 399.855 4.602 30 40 GJEB COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 5215730 FSKMXHLPHHQGGW-MTJSOVHGSA-N 390.366 4.670 30 40 GJEB Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 5409118 FKVMPXRFVCWZQL-QHCPKHFHSA-N 397.474 4.816 30 40 GJEB CO[C@H]1CCC[C@H](C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)C1 12133265 GVZBZKYCQWIPIE-VXKWHMMOSA-N 390.527 4.611 30 40 GJEB Cn1ncc(C#N)c1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 14200685 ZZSULPTWHQNAAI-UHFFFAOYSA-N 394.500 4.856 30 40 GJEB C=CCc1ccccc1OC[C@H](O)Cn1c(Cc2ccccc2)nc2ccccc21 15671400 BIARCPXOPSHECZ-JOCHJYFZSA-N 398.506 4.796 30 40 GJEB CCn1cc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 71785070 OXIQPAHQNCLVTM-WSYVLOJXSA-N 376.500 4.727 30 40 GJEB CCCCCCCC[S@@](=O)CC(O)C[S@@](=O)CCCCCCCC 100952002 PHRYBBDFGXUWCV-LLTGHQJGSA-N 380.660 4.566 30 40 GJEB C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 854235 KBTHUQAPRVINJW-UHFFFAOYSA-N 382.554 4.858 30 40 GJEB CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 1056471 QJLPCONQBMYULI-VSKRKVRLSA-N 399.469 4.842 30 40 GJEB CCC(=O)c1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 2751228 KZSVWUIAADIWDV-UHFFFAOYSA-N 393.406 4.549 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1Cl 4472139 RWWDIJCAPAIMCM-RSYJBZMQSA-N 384.284 4.840 30 40 GJEB CCCCOc1cc(C[S+]2CCCC2)c(OC)cc1C[S+]1CCCC1 5784086 UHSCGAXMVUJRJK-UHFFFAOYSA-N 382.635 4.698 30 40 GJEB COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(Cl)cc3)n2)cc1OC 13658268 VQODZCKKPIYJAA-IWIPYMOSSA-N 398.875 4.820 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc(F)cc1 18097808 DVMRNCHNWCMWFX-HDURRZNMSA-N 378.447 4.651 30 40 GJEB CCCCCCCCCCCCCC(=O)OC[C@@H](COC(C)=O)OC(C)=O 85480140 WPZADTFNTUIQLK-HXUWFJFHSA-N 386.529 4.726 30 40 GJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=S)Nc2ccccc2)cc1OC 108109299 YTJNFEBJPWOGEN-MUBJSKCLSA-N 391.924 4.846 30 40 GJEB CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)o1 408814636 GDUWQKRSHODRQY-WJDWOHSUSA-N 389.908 4.979 30 40 GJEB Cc1ccccc1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 2444635 FHJQARXSDRFXBR-UHFFFAOYSA-N 386.480 4.707 30 40 GJEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)o1 4031643 NQZILGNGQLHDTH-SRZZPIQSSA-N 393.790 4.897 30 40 GJEB COc1ccc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1OC 6047124 LNUNPUFGDSXXQR-LSFURLLWSA-N 388.773 4.831 30 40 GJEB CS/C(=N/S(=O)(=O)c1cccs1)Nc1ccc(SC(F)F)cc1 6131626 KDTIENRNNLUUQD-UHFFFAOYSA-N 394.515 4.583 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(C)C)cc1 655819 LKCFVGINKSDPIP-OAQYLSRUSA-N 387.479 4.942 30 40 GJEB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)O[C@H](C)C#N)c12 4371423 XFVVSHBRUNQGRR-CYBMUJFWSA-N 388.452 4.526 30 40 GJEB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 12532340 OVCASVWFASEHSC-OAHLLOKOSA-N 382.895 4.641 30 40 GJEB C/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1cccc(F)c1 12603146 QHXKWLBPHAABEH-OINPPHAGSA-N 390.281 4.531 30 40 GJEB COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cn(C)nc4C)C(=O)[C@@]3(C)CC[C@@H]21 17079756 GMZISXRHSBJUQJ-FELRKITOSA-N 390.527 4.856 30 40 GJEB N#Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 39535631 UJWBVBAHOUBAMW-XMMPIXPASA-N 382.419 4.589 30 40 GJEB CC(C)CN1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N/c1ccccc1 100299684 XWZUCFXUPCSSTE-NFVLHAOASA-N 391.496 4.849 30 40 GJEB C/C(=N\c1cccc(Cl)c1C)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 101161187 YMJUJVPZLZJESJ-CIAFOILYSA-N 384.823 4.897 30 40 GJEB COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408776295 NFMASHYJFCVRMR-XKZIYDEJSA-N 377.400 4.540 30 40 GJEB COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2ccc(C)cc2nc1Cl 883038 XNKKGUSEURVYCS-INIZCTEOSA-N 379.847 4.526 30 40 GJEB Cc1ccc(NC(=O)CSc2nc(C)cc(-c3cccnc3)c2C#N)c(C)c1 4784817 LLAYJHAFWCEVRS-UHFFFAOYSA-N 388.496 4.671 30 40 GJEB CC/N=C1\S/C(=C\c2ccccc2OCc2ccc(C)cc2)C(=O)N1CC 5552119 WIVIUMBSBVYFBE-DJOYVXLESA-N 380.513 4.886 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1[N+](=O)[O-])OCO3 18197429 IHZCNGIYKFKUTM-FQEVSTJZSA-N 392.411 4.524 30 40 GJEB N#Cc1nc(-c2cccc3ccccc23)oc1N1CCN(Cc2ccccc2)CC1 54358658 FNOOFEGBYVEPAW-UHFFFAOYSA-N 394.478 4.689 30 40 GJEB COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(OC)c(OC)c3)nc1-2 59459288 JAFKWEMZEBKUIX-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB Cc1ccc2nc(N/N=C/C3=C[C@@H]4C=CC=C[C@H]4N3)nc(-c3ccccc3)c2c1 102595479 ZQRJEROSEGFKLN-MKQXIXSSSA-N 379.467 4.601 30 40 GJEB O=[N+]([O-])c1ccc(N2CCCCC2)c(/C=N/Nc2nc3ccccc3s2)c1 409000839 NGOPQKBNNUXMAF-DEDYPNTBSA-N 381.461 4.641 30 40 GJEB COCCCN1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)SC1=Nc1ccccc1 409372746 IMFFIMRHDVRIGN-NPPZMEKISA-N 396.512 4.650 30 40 GJEB C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@H](/C=N/Nc3ccccc3)[C@H]1C[C@H]42 585153198 YOIXAKPYNYEUBR-KLFVMVOESA-N 399.562 4.631 30 40 GJEB biogenic,in-vitro C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 4660272 HUIRWZZPXSILOZ-UNOMPAQXSA-N 399.443 4.636 30 40 GJEB CCN(CC)c1ccc2cc(/C(C)=N/Nc3ccc([N+](=O)[O-])cc3)c(=N)oc2c1 4750866 YAZHWPNXPITMJD-CFPWHSAVSA-N 393.447 4.503 30 40 GJEB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(I)cc1)C2 4811128 FROGBKVYYFNXES-SJCJKPOMSA-N 381.257 4.612 30 40 GJEB Cc1ccccc1-n1c(SCc2ccccc2C#N)nc2ccccc2c1=O 5938146 IHXUVDWOWYSVQX-UHFFFAOYSA-N 383.476 4.858 30 40 GJEB CCOc1c(I)cc(/C=N/c2ccccc2C)cc1OC 6958186 RBUKLRIVJAWCHB-YBFXNURJSA-N 395.240 4.758 30 40 GJEB CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 100242823 LOOUHTXTXVIUFS-MYYYXRDXSA-N 392.430 4.993 30 40 GJEB O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 104364476 DYBHNOQQKPOCJQ-VXPUYCOJSA-N 390.311 4.561 30 40 GJEB COc1cc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc(OC)c1OC 408723517 WDZPPWZYQZLGKZ-WSDLNYQXSA-N 380.469 4.685 30 40 GJEB CCN(CC)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409401093 AFAYCCGQUXJLAJ-UHFFFAOYSA-N 396.494 4.792 30 40 GJEB CC1(C)SC(=S)N(c2ccccc2)[C@H]1/[N+]([O-])=C/c1c[nH]c2ccccc12 1436923 ARJKYBPWLMJEDR-QLTNSANVSA-N 381.526 4.740 30 40 GJEB C#CCOc1cc2c(C(=O)OCC)c(C)n(Cc3ccco3)c2c2ccccc12 3764958 RKCYHGZGPBLVNM-UHFFFAOYSA-N 387.435 4.933 30 40 GJEB COc1ccc(OC)c(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)c1 5376470 IYVCHLISUDCKEN-MOSHPQCFSA-N 390.464 4.749 30 40 GJEB C=CCN1C[C@H](c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O 12363523 CEWFYUOIDMFKFN-HXUWFJFHSA-N 381.479 4.740 30 40 GJEB O=S(=O)(Oc1ccc(/C=N\c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 18153513 JXBAYYCRCVXIKD-XKZIYDEJSA-N 389.835 4.997 30 40 GJEB CC/N=C1/S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N1CC 35041774 LZNZKTPZFLSWGG-XATRHVNRSA-N 380.513 4.886 30 40 GJEB C/N=C1/S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1C 59104385 RJYXKMZSPHIWKR-HUIWRNEVSA-N 395.915 4.875 30 40 GJEB C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 225696466 ACNYDHZQVQDJHJ-QGZVFWFLSA-N 381.545 4.899 30 40 GJEB O=C1C=C(Nc2nc(SCc3ccccc3)n[nH]2)C[C@@H](c2ccccc2)C1 4737037 FSVPXRZVBIUGQL-QGZVFWFLSA-N 376.485 4.540 30 40 GJEB Cc1nc(N/N=C/c2ccccc2)c2sc(=S)n(-c3ccccc3)c2n1 5740684 SAZHRZSEBIOBLJ-UDWIEESQSA-N 377.498 4.966 30 40 GJEB Cc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)ccc1Br 7667405 CKRHQGMAMYZVSW-UHFFFAOYSA-N 384.233 4.574 30 40 GJEB CC(C)Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nc2ccccc21 8442324 YPJDXSQCGQDTCK-UHFFFAOYSA-N 398.919 4.948 30 40 GJEB COc1cccc(-c2cc(-c3ccccc3Br)c(C#N)c(N)n2)c1 19879640 QPFXNVGJYUVIAH-UHFFFAOYSA-N 380.245 4.641 30 40 GJEB COc1ccc(Br)cc1/C=N/Nc1nc2ccccc2nc1Cl 32647145 CXVPFQLTHXLULI-DJKKODMXSA-N 391.656 4.500 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C(=O)O)cc1 36089887 CNPPUOICQVEYAQ-BRQLWOPXSA-N 386.860 4.662 30 40 GJEB Oc1c(Cl)cc(Br)cc1/C=N/Nc1nc2ccccc2s1 59514297 FKOUTJIRIHWWCO-REZTVBANSA-N 382.670 4.864 30 40 GJEB Cc1cc(C#N)c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 215682916 XWQJAKUUIDWHMW-HZPDHXFCSA-N 379.529 4.525 30 40 GJEB CC(C)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)cc1 223739031 BAYMKPQDLPBYJH-NMWGTECJSA-N 385.920 4.742 30 40 GJEB C=CCOc1ccc(NC(=O)CSCc2ccccc2Br)cc1 408563190 KCVBHIYLSXHKAH-UHFFFAOYSA-N 392.318 4.886 30 40 GJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccn1-c1ccccc1F 408962544 SXSIQBKYTBOVBT-LDADJPATSA-N 381.407 4.647 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCCCC2)o1 409103981 HZNUZFMZZGVALR-SRZZPIQSSA-N 382.342 4.643 30 40 GJEB CC(C)Cn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2373405 RTHRUXBGBSICKG-UHFFFAOYSA-N 393.556 4.940 30 40 GJEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1CSc1ccccn1 4793454 MNBTWKTVPJRXSN-LPYMAVHISA-N 394.456 4.737 30 40 GJEB COc1ccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c(OC)c1 4944912 JVSQRSBSISWDGE-IBGZPJMESA-N 391.467 4.540 30 40 GJEB N#CCSc1ccccc1NC(=O)CSC1=Nc2ccccc2CS1 5325622 WINKIPJXFMFMJD-UHFFFAOYSA-N 385.539 4.908 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccc1C 8088438 MEGOOFMINYDMQC-UHFFFAOYSA-N 392.528 4.733 30 40 GJEB CC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F 13564371 RXTOYZWXQSFLSG-TZRRMPRUSA-N 395.474 4.533 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 100439857 PCJUZTAKFXOWQL-NHFXJNLRSA-N 389.838 4.966 30 40 GJEB C=C(C)[C@@H]1CC=C[C@@H](COc2ccc3ccc(=O)oc3c2)[C@]1(C)CCC(=O)O 504427337 UKEZTZMPUHUTIW-LTMIRXACSA-N 382.456 4.811 30 40 GJEB biogenic C=C(C)CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 2394642 VTHRYTIXETZTBR-HNNXBMFYSA-N 375.494 4.546 30 40 GJEB CCCCCOc1ccc(/C=N/Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 4015881 MQDVTOKXQJQTSR-HZHRSRAPSA-N 392.507 4.603 30 40 GJEB CCCCN(CCCC)C[C@@H](O)CON=C1c2ccccc2-c2ccccc21 27228804 UHBPWAKOFPVFJO-LJQANCHMSA-N 380.532 4.699 30 40 GJEB O=C1/C(=C\c2c(Cl)cccc2Cl)Oc2c1ccc(O)c2CN1CCCC1 33350093 AASPCRGBKBRQON-VCHYOVAHSA-N 390.266 4.911 30 40 GJEB COc1ccccc1CN1C(=O)/C(=N\Nc2ccc(Cl)cc2)c2ccccc21 46085046 GDYRLUQGNFTSHQ-DAFNUICNSA-N 391.858 4.712 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])c(C)c3C)o2)C(=O)N1CC 3672316 DYVKYVKXSLUGDA-GTQPVGENSA-N 399.472 4.784 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2ccc(CC)cc2cc1C#N 4848926 NLFMZLRVNIUORW-UHFFFAOYSA-N 391.496 4.798 30 40 GJEB CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1O 5336050 XWLYHNWHYNLFHH-VXLYETTFSA-N 395.240 4.763 30 40 GJEB N#C[C@@]1(c2nc3ccccc3s2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 8718041 WDKULCAFDLBKAR-CTNGQTDRSA-N 390.468 4.581 30 40 GJEB COc1cccc(CSc2nc(C)c(C(=O)Nc3ccccc3)cc2C#N)c1 8942943 NKTJMKRIODQCHQ-UHFFFAOYSA-N 389.480 4.815 30 40 GJEB COc1ccc(/C=C2\Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)cc1 12858530 DERKBEYEFPLMHO-DYAARSSKSA-N 398.414 4.930 30 40 GJEB biogenic Cc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1 32984167 JDZNMBMXKBBFIZ-UHFFFAOYSA-N 393.439 4.784 30 40 GJEB N#Cc1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1OCC(F)(F)F 46033290 XJBGDLKFWXYFDD-OAHLLOKOSA-N 395.406 4.930 30 40 GJEB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cn2)c1 89623956 WLEQLDXJTGKTJE-UHFFFAOYSA-N 393.393 4.571 30 40 GJEB Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967134 PZDLWGTXPCVVJW-ZVHZXABRSA-N 395.528 4.616 30 40 GJEB Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=Nc2ccccc2)N(C)C1=O 409374177 ZQDGVZVHABGMSH-OMSSWJLUSA-N 395.503 4.968 30 40 GJEB COc1cc(/C=N/c2ccc(F)c(C)c2)ccc1OCc1ccc(C(=O)O)o1 409384448 CBLWWBPXQZGICC-FOKLQQMPSA-N 383.375 4.764 30 40 GJEB O=C1/C(=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)CCc2ccccc21 3329246 KMMATAZKHZJMIM-VBKFSLOCSA-N 389.436 4.749 30 40 GJEB CO[C@H]1CCC[C@@H](C(=O)NC2(C#Cc3cncc4ccccc34)CCCCC2)C1 19592644 KFGDOWDZRHQHKG-KNQAVFIVSA-N 390.527 4.611 30 40 GJEB COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(C)cc1 19841190 QPICUPSRBVYVGF-UHFFFAOYSA-N 399.494 4.977 30 40 GJEB CC(C)CCn1c(SCC(=O)Nc2sccc2C#N)nc2ccccc21 32950399 ZIIMVTBESIPWOK-UHFFFAOYSA-N 384.530 4.746 30 40 GJEB CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(C)c1/C(C)=N/Nc1ccccc1 96306090 KRHHJEKDQYLXJM-JJIBRWJFSA-N 390.487 4.810 30 40 GJEB N#CCCSc1ccccc1NC(=O)c1cnn(-c2ccccc2Cl)c1 108200715 IRNMUUUROLFEQH-UHFFFAOYSA-N 382.876 4.784 30 40 GJEB CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 217347442 ZNSPUNVBZGKQFL-BQTBEZFYSA-N 386.576 4.897 30 40 GJEB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1 225776630 AUSJKFZMSHNUII-INIZCTEOSA-N 396.462 4.562 30 40 GJEB O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(Br)cc1 408749650 RTCGXAWMMNIRIU-RIYZIHGNSA-N 393.693 4.994 30 40 GJEB CCNC(=S)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409371839 IQZCPYBIIWJKFH-AFUMVMLFSA-N 386.524 4.661 30 40 GJEB N#CC[C@@H]1CCCN(Cc2cc(C(F)(F)F)c(Br)cc2F)C1 1238511222 MYPCMMAEQYTBDR-JTQLQIEISA-N 379.195 4.733 30 40 GJEB CC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Br)cc1 4823136 MHRRRRMJZRIURN-RGVLZGJSSA-N 385.217 4.780 30 40 GJEB S=c1[nH]nc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1ccc(Cl)cc1 5626428 QQJCLGLEPLVBFZ-RGVLZGJSSA-N 380.864 4.533 30 40 GJEB COC(=O)c1ccccc1-c1ccc(/C=N/Nc2nc3ccccc3s2)o1 6380067 CMBAZYDWLJIOIX-CIAFOILYSA-N 377.425 4.789 30 40 GJEB CCc1cccc(CC)c1NC(=O)CN1C[C@H](C)S/C1=N/C1CCCCC1 13140399 DCFKXXAVYVHYGX-LSJZCYCUSA-N 387.593 4.876 30 40 GJEB Cc1ccccc1N1C(=O)C[C@@H](c2ccccc2OCc2ccccc2)[C@H]1C#N 26896034 KYOKAZZYGPCKIP-JTHBVZDNSA-N 382.463 4.987 30 40 GJEB Cc1cc(=O)oc2cc(/N=C(\O)COc3cccc(C(F)(F)F)c3)ccc12 37868214 XIWBOYIALIWHDJ-UHFFFAOYSA-N 377.318 4.787 30 40 GJEB C=CCn1c(C)nnc1S[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 53422625 OULRMZJTQJQEOV-OAHLLOKOSA-N 378.501 4.878 30 40 GJEB CC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408843249 CWKSOLVSKAKDPY-ZVHZXABRSA-N 388.423 4.673 30 40 GJEB O=S(=O)(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1 408894628 JWPXWAXQNLVSHS-RGVLZGJSSA-N 395.267 4.566 30 40 GJEB CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2O)C2=C1CC(C)(C)CC2=O 408897864 ONNNLVQMAVNXPC-UHFFFAOYSA-N 379.500 4.708 30 40 GJEB COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c1 408906034 AHNOXWTXYYTZRA-NFYBBCHUSA-N 382.485 4.716 30 40 GJEB C=CCN(CC=C)C(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408981033 YICANIPJWNEMST-UHFFFAOYSA-N 398.470 4.826 30 40 GJEB Cn1c(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)nc2ccccc21 2309072 LIRXZXJSZCHZOQ-SSDVNMTOSA-N 390.399 4.563 30 40 GJEB O=C(O)c1ccccc1N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 5525615 KLSIMSVMGCZVAS-BUVRLJJBSA-N 382.423 4.684 30 40 GJEB C/C(=N\N=c1/[nH]c(-c2ccc(Br)cc2)cs1)c1ccc(F)cc1 5910255 BXZSHCOLHMRSCF-SRZZPIQSSA-N 390.281 4.970 30 40 GJEB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cccc(Br)c3)S2)c1C 8415195 MEWQAEPEQABWOZ-YBEGLDIGSA-N 387.302 4.958 30 40 GJEB C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(C(=O)OC)cc2)c(O)c1 9088736 PVMNLRMFKRBOEJ-UHFFFAOYSA-N 394.427 4.625 30 40 GJEB CCOc1ccccc1/C=C1\Oc2cc(OC(=O)N(CC)CC)ccc2C1=O 13653765 LINNWXWLKDUVFQ-MOSHPQCFSA-N 381.428 4.542 30 40 GJEB Cc1ccoc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 40110822 TWUYOYXRKMOBHV-UHFFFAOYSA-N 391.374 4.778 30 40 GJEB N#C[C@@H](C(=O)c1cnc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 54466217 HIWVIQOTZATSMU-VIFPVBQESA-N 397.765 4.559 30 40 GJEB CC(=O)c1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 1354308 QJEQRGQOZVEUSE-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1C1CCCCC1 6049520 MKQMDNVKHIPXQG-LZLYRXPVSA-N 390.597 4.545 30 40 GJEB C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1 6910617 QUKZNMWTVUYRTL-SFHVURJKSA-N 399.903 4.922 30 40 GJEB Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 8559751 VUQGLTCKZSOYSR-KKSFZXQISA-N 390.874 4.656 30 40 GJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)O)cc3)c2C)cc1 13616239 PBLWMWSPQVROFO-ZVHZXABRSA-N 390.439 4.720 30 40 GJEB C=CCc1cc(C(=O)NCCSCc2ccc(Cl)cc2)ccc1OC 14397404 AMQKEMVFKLPNCI-UHFFFAOYSA-N 375.921 4.740 30 40 GJEB C#CCN(C)C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C 30882819 LQHAYDJSMMKVEL-FKBYEOEOSA-N 377.532 4.699 30 40 GJEB biogenic,in-vitro COc1cc(/C=N\OCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 34829100 NZTIBPAAFNQNHN-OYKKKHCWSA-N 391.423 4.523 30 40 GJEB N#Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 40138961 JEQFUZZGTSJZRQ-NRFANRHFSA-N 381.439 4.540 30 40 GJEB C=CCOC(=O)c1cccc(-c2nc3ccc(C(=O)OCC=C)cc3s2)c1 73635293 WRQFYNLZUZVVHM-UHFFFAOYSA-N 379.437 4.649 30 40 GJEB N=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[C@@H]1c1nccs1 107659193 HFCOTTIOCGPIDR-UTYDTHAWSA-N 397.437 4.729 30 40 GJEB Cc1ccc(CSc2nncn2/N=C/c2ccc(Br)cc2)cc1 940353 RKFZBBSFIIYZBD-KEBDBYFISA-N 387.306 4.524 30 40 GJEB O=C[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 1447471 UACDSWCDLIKUBD-CZUORRHYSA-N 392.505 4.637 30 40 GJEB N#Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c([N+](=O)[O-])cc1C#N 2248889 FBBQNFLTZAXWIB-UHFFFAOYSA-N 393.362 4.741 30 40 GJEB CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 4066567 DLUOUQLTHJETKH-NRFANRHFSA-N 381.516 4.805 30 40 GJEB N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 6886191 QJTDDPTXXYDLLJ-UHFFFAOYSA-N 384.844 4.805 30 40 GJEB N#Cc1cc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)ccc1Cl 12770025 KMVRVBUGQSXHEK-FQEVSTJZSA-N 381.888 4.591 30 40 GJEB C=C(C)COc1ccc(-c2nc(N)ncc2Oc2ccccc2OCC)c(O)c1 13127161 DCQWFQSQTHYGSR-UHFFFAOYSA-N 393.443 4.577 30 40 GJEB biogenic C=CCc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc(OC)c1OC 19549463 FWAOPUPUEDJFAP-HXUWFJFHSA-N 391.515 4.688 30 40 GJEB CCSc1nnc(C)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 36611321 DBJSPYBCFLXNCB-KEBDBYFISA-N 390.896 4.715 30 40 GJEB Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1 408589013 CQRYGHFWSMEGLD-OEAKJJBVSA-N 392.459 4.619 30 40 GJEB COc1cccc(/C=N/Nc2snc(SCc3ccccc3)c2C#N)c1 4481962 NZJPFMDMNOIMDV-CIAFOILYSA-N 380.498 4.762 30 40 GJEB O=C(Nc1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1)c1cccc(Cl)c1 4672454 YBBVRIRWCCSMIG-WSDLNYQXSA-N 395.802 4.957 30 40 GJEB CC(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 6764135 RFWCNWYUUJNFJM-CYBMUJFWSA-N 397.569 4.995 30 40 GJEB N#CCC[C@@H](C#N)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 7203871 ZIJINEDLEQOFPA-AWEZNQCLSA-N 397.891 4.775 30 40 GJEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1 17945713 QTMXCZCRGVTYQT-IQMFZBJNSA-N 388.423 4.793 30 40 GJEB N#CCCN(C(=O)CSc1nc2ccc(Cl)cc2o1)c1ccccc1F 22207561 VNSJOIDAFXKALV-UHFFFAOYSA-N 389.839 4.659 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/N=c2/[nH]c(-c3ccc(Cl)cc3Cl)cs2)c1 59193700 DZVVLONKAWUBEU-UFWORHAWSA-N 393.255 4.893 30 40 GJEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3ccc(Cl)cc3)c2=O)cc1 101586189 RXPBSBVDLWFEOH-SRZZPIQSSA-N 385.876 4.567 30 40 GJEB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C#N 225754373 VZDDUNRWXNJRFZ-UHFFFAOYSA-N 378.472 4.806 30 40 GJEB CCCCCCCCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1810802 WDAMIDGWRHKFEZ-MSUUIHNZSA-N 388.558 4.595 30 40 GJEB COc1cc(Br)cc(/C=N/c2ccc(N3CCCC3)cc2)c1O 3213514 WMXAFWVCBUTSEF-UDWIEESQSA-N 375.266 4.514 30 40 GJEB COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(OCCC(C)C)c(OC)c1)O2 6306757 SUSDWZDEMREDRH-CIAFOILYSA-N 396.439 4.523 30 40 GJEB biogenic,in-vitro Cc1nc(SC[C@@H]2CC2(Cl)Cl)c(C#N)cc1C(=O)Nc1ccccc1 14853294 CPFHAUDJCAMSMZ-ZDUSSCGKSA-N 392.311 4.800 30 40 GJEB C=CCN(C(=O)c1ccc(F)cc1Br)c1nc2c(s1)CCCC2 19295480 ASXCZMQRWLTYGF-UHFFFAOYSA-N 395.297 4.756 30 40 GJEB CNc1c(N/C(O)=N/c2ccccc2C(F)(F)F)c(=O)oc2ccccc12 28048784 XDTJVCOFGBOEKE-UHFFFAOYSA-N 377.322 4.511 30 40 GJEB CCCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 51366990 BPUIJCRRBRYWPR-PEHOWQFQSA-N 395.528 4.720 30 40 GJEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102880193 ROFCVOQUOFWLAD-YDJIHCHBSA-N 391.373 4.591 30 40 GJEB N#Cc1ccccc1COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 408591661 JVNAOVOHMBMANK-ZVHZXABRSA-N 387.395 4.596 30 40 GJEB Cc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)c(C)n1-c1ccc2ncccc2c1 408968517 ZZBJAMCKXGASAC-MXAYSNPKSA-N 385.423 4.797 30 40 GJEB C#CCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C(C)C 30883158 LARBQGCDQVNNLW-FKBYEOEOSA-N 377.532 4.665 30 40 GJEB biogenic,in-vitro Fc1cccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)c1 408931179 IBJHLTXBGGQKJX-YZSQISJMSA-N 390.458 4.992 30 40 GJEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1 3102153 IOGIAMAMKNYQOS-SFHVURJKSA-N 390.439 4.759 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1 6295890 DKXDQFKOFSPFQW-UHFFFAOYSA-N 384.892 4.515 30 40 GJEB N#Cc1cccnc1N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 12912208 SALXYSFMRVTTLB-UHFFFAOYSA-N 394.931 4.657 30 40 GJEB C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(CC=C(C)C)c(O)c(O)cc3oc12 13411975 FUEJTEBWTNXAPG-UHFFFAOYSA-N 396.439 4.741 30 40 GJEB biogenic,in-vitro CC(C)c1cc(=O)oc2cc(OC/C(O)=N/CCc3ccc(F)cc3)ccc12 21327368 AHQSNQUPWFQSST-UHFFFAOYSA-N 383.419 4.634 30 40 GJEB CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(C(C)C)cc(Br)c1O2 40546400 WIZJLIRVXSJYQT-GOSISDBHSA-N 378.266 4.870 30 40 GJEB O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc2c(c1)OCO2 408749238 LZARKJHYYKYEIL-GIDUJCDVSA-N 393.251 4.614 30 40 GJEB CCc1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1 1196175 UEHCPVSHXUKCBX-QGMBQPNBSA-N 399.082 4.936 30 40 GJEB Cc1ccc(SC[C@H](O)CSc2nc(C)c3c(c2C#N)CCCC3)cc1 1436751 CBEWZEOYGFTWEW-INIZCTEOSA-N 384.570 4.694 30 40 GJEB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(I)cc1)C2 4811127 FROGBKVYYFNXES-SJKOYZFVSA-N 381.257 4.612 30 40 GJEB CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 5175598 SXZJYIWFHUSOGE-JOCHJYFZSA-N 376.456 4.555 30 40 GJEB CCCCCCC[C@@H](O)CCC(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C 101456507 MQUGSQVEZVTACL-RBUKOAKNSA-N 377.525 4.675 30 40 GJEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)N(C(C)(C)C)C1=O 102787348 HXMJPQWFSMGKJN-QCLNCQLRSA-N 395.528 4.754 30 40 GJEB CCN1CC[C@](O)(/C=C\c2cccc(C)c2)[C@H](C(=O)/C=C/c2cccc(C)c2)C1 104317429 HZOCZWZBYRGSCV-BKGSZHHBSA-N 389.539 4.672 30 40 GJEB COc1ccccc1N1CCN([C@H]2CCCCCCCCCC/C2=N/O)CC1 104860909 AMYYZRYNOUGJFK-YWDBVWQESA-N 387.568 4.931 30 40 GJEB C=CCc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(C)=O 408744609 YUWBLHRSCSXVCD-LDADJPATSA-N 380.827 4.975 30 40 GJEB CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N\c1ccc(C)cc1 408906671 JPKYQVQZCGKOGB-OESWBVNESA-N 380.469 4.656 30 40 GJEB O=C1CCCC2=C1C(c1ccccc1OCc1ccccc1)C1=C(CCCC1=O)N2 1000866 ZOMXGAZBFUGBDU-UHFFFAOYSA-N 399.490 4.967 30 40 GJEB N#Cc1cccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)c1 8811839 QIEWIRXVCYIYOM-AFUMVMLFSA-N 375.859 4.914 30 40 GJEB N#Cc1c(N)nc(SCc2ccc(F)cc2)c(C#N)c1-c1ccc(F)cc1 20814389 AIGFLWNKDYBIFT-UHFFFAOYSA-N 378.407 4.645 30 40 GJEB Cc1onc(-c2c(Cl)cccc2Cl)c1/C(=N/c1ccccc1)N(C)N 100014149 CFEDCCJXRYBGFO-PYCFMQQDSA-N 375.259 4.841 30 40 GJEB COc1cccc(/C=N/c2ccc(/N=C/c3cccc(OC)c3O)cc2)c1O 1233866 ZNDKBXKYOFTJMX-RNIAWFEPSA-N 376.412 4.616 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(F)cc1 2205062 APAMIFMZFSNAMT-UHFFFAOYSA-N 396.491 4.618 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1ccc(N(CC)CC)cc1 4061031 QCEMVYNWWFXSDK-SIKLNZKXSA-N 397.540 4.914 30 40 GJEB FC(F)Oc1ccc(/C=N/Nc2nc(-c3ccncc3)nc3ccccc23)cc1 4134853 GQEAQOXBSRWYGT-DHRITJCHSA-N 391.381 4.739 30 40 GJEB CC(=O)c1cnn(-c2cc(Oc3ccc(C#N)cc3)nc(-c3ccccc3)n2)c1C 5427322 LVIJSLRAMMONJW-UHFFFAOYSA-N 395.422 4.504 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccccc1)C=C1c3cc4c(cc3CCN12)OCCCO4 5451837 RINUBBZLSNRDLP-HXUWFJFHSA-N 399.490 4.851 30 40 GJEB biogenic COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)ccc1O 7909559 ISAZEBXWLGDMIA-CMDGGOBGSA-N 397.434 4.545 30 40 GJEB N#Cc1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)cc1 8811837 ASHMSPOIBYYXSL-AFUMVMLFSA-N 375.859 4.914 30 40 GJEB C=CCN1C[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O 12363525 CEWFYUOIDMFKFN-FQEVSTJZSA-N 381.479 4.740 30 40 GJEB Cc1c([C@H](C)NC(=O)c2cccc(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1 29317103 PXAKQBDAFJYMJG-ZDUSSCGKSA-N 398.388 4.562 30 40 GJEB COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N 34791510 KFFWYRYEORBNHP-UHFFFAOYSA-N 391.496 4.771 30 40 GJEB CN(c1ccc([N+](=O)[O-])cc1C=C1C(=O)c2ccccc2C1=O)C1CCCCC1 59490086 HFTYFYDIXHKQHU-UHFFFAOYSA-N 390.439 4.826 30 40 GJEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O 101650667 HAMXMUSTXPVUGF-VCGVYRDQSA-N 395.528 4.709 30 40 GJEB CCN1CC[C@](O)(/C=C/c2ccccc2C)[C@H](C(=O)/C=C\c2ccccc2C)C1 104316017 FRUBACZOYHZTKA-HDCGCMCLSA-N 389.539 4.672 30 40 GJEB C=CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 225688153 BYHCJCMXPNHMMZ-LJQANCHMSA-N 398.528 4.849 30 40 GJEB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C#N 225773806 HAAGVGQPORUEJX-UHFFFAOYSA-N 392.499 4.733 30 40 GJEB CC[C@@H](C)Oc1c(Cl)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC 408594639 UOBCKNNIEDBNTQ-SRRANQMSSA-N 392.839 4.985 30 40 GJEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\c2ccc(N(C)C)cc2)c1C 408913142 LEIGKGDLFHWMSX-OYKKKHCWSA-N 375.472 4.917 30 40 GJEB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)o1 409089668 OPMLNAXOBRTYIP-YSURURNPSA-N 389.333 4.813 30 40 GJEB CCOc1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)cc1 5551690 JGXUBKXMLQNNMG-YBEGLDIGSA-N 392.402 4.996 30 40 GJEB S=C(N/N=C\c1cccc2ccccc12)N/N=C/c1cccc2ccccc12 8616995 WWMNVWJYHCDQIV-QTCLYGBFSA-N 382.492 4.825 30 40 GJEB C[C@H]1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1c[nH]c3ccccc13)C2=O 20646514 FYZNPPNUOODOIU-QZDMBBGESA-N 388.467 4.864 30 40 GJEB Nc1nc(-c2ccccc2)nn1/C(=N\C(Cl)=C(Cl)Cl)c1ccccc1 41097552 DRVWCNLTHJZWAY-JWGURIENSA-N 392.677 4.665 30 40 GJEB COCCOc1ccc(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)cc1 44027663 RERGTJQIEGSIMW-AWNIVKPZSA-N 389.451 4.582 30 40 GJEB C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)c1ccccc1 59176623 GWYYZWYRLSGWBG-UHFFFAOYSA-N 393.512 4.635 30 40 GJEB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC#N)cc3)SC2=S)cc1C 192690865 YTXXGJUJRRVSLX-PDGQHHTCSA-N 380.494 4.612 30 40 GJEB N#C[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 1127854164 NDUPEPUXMUSGMT-KSZLIROESA-N 376.353 4.719 30 40 GJEB CCCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(F)cc2)C1=O 4935278 OMTCQJITTBMBGB-AANLGRHESA-N 389.521 4.912 30 40 GJEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O 5085343 IXZMSCFYBRJETR-VDDKDFEESA-N 395.528 4.556 30 40 GJEB O=c1c(/C=N/C2CCCCC2)c(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 5532781 GLRJVQVXXIMLNT-LSHDLFTRSA-N 394.422 4.546 30 40 GJEB C=CCC1(CC=C)CCN1Cc1nc(-c2cccnc2OC2CCCCC2)no1 12365439 GWZFKAWVRGJTTJ-UHFFFAOYSA-N 394.519 4.940 30 40 GJEB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC3(C#N)CCCCC3)c2n1 13223405 NNHZUCAZUNIMHX-UHFFFAOYSA-N 392.286 4.572 30 40 GJEB O=C1Nc2ccccc2/C1=N\Nc1nc(-c2ccc(Cl)cc2)c2ccccc2n1 46085400 NPYPPQBPJIKWPG-UHFFFAOYSA-N 399.841 4.719 30 40 GJEB CC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(C(F)(F)F)=CN12 97951100 QPGPPCNKTWYDQS-UHFFFAOYSA-N 385.617 4.522 30 40 GJEB CC[C@@H]1S/C(=N/c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)C1=S 102940296 BVPHTUQUZQSBLQ-RUNIHZNKSA-N 390.555 4.526 30 40 GJEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)/N=C1\c2ccccc2CN1c1ccccc1 102941310 IJELBNNHGLJRIO-KFGDZIEPSA-N 383.407 4.602 30 40 GJEB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118924920 KDKHHTADLRSZAE-CXNSYJKMSA-N 386.532 4.814 30 40 GJEB C=CCn1c(-c2ccccc2Cl)cs/c1=N\c1ccc(O)c(C(=O)O)c1 6856501 KKPDGTBYYUVPQS-VZCXRCSSSA-N 386.860 4.692 30 40 GJEB CC(C)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 7141101 NGNAIFCFVQTKPZ-CQSZACIVSA-N 396.512 4.663 30 40 GJEB C=C(C)CSc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)s1 7230684 FRCNSMDXXVNZRE-SNVBAGLBSA-N 385.967 4.979 30 40 GJEB CO[C@@H]1CCC[C@@H](C(=O)NC2(C#Cc3cncc4ccccc34)CCCCC2)C1 19592643 KFGDOWDZRHQHKG-DENIHFKCSA-N 390.527 4.611 30 40 GJEB Cc1ccc(O)c(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1 23375063 ADJIXIMFOOHZSV-DHRITJCHSA-N 387.508 4.943 30 40 GJEB CCCC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F 98049052 RDMHLTMPSLIMBS-UHFFFAOYSA-N 396.253 4.855 30 40 GJEB Cc1c(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cnn1C 105262583 YXWCFPYLJKIHKI-PDAWTAPSSA-N 390.531 4.765 30 40 GJEB biogenic Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCOCC2)c1 225772726 HRKQHCOJMVYOCE-UHFFFAOYSA-N 392.499 4.588 30 40 GJEB COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(O)cc3)c3ccccc32)c1 408544085 UPFXTHUGGBKTJO-AFUMVMLFSA-N 384.435 4.932 30 40 GJEB Cc1cc2cc(C#N)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2cc1C 1354496 HZJVSJHJDRFPED-INIZCTEOSA-N 387.508 4.793 30 40 GJEB C[C@@H]1C(=O)[C@@](c2ccc(Br)s2)(C2CCCCC2)CC[N+]1(C)C 1594095 XGINROOJRPNIDJ-FZKQIMNGSA-N 385.391 4.766 30 40 GJEB N#Cc1c(N)n(-c2ccc(Cl)c(C(F)(F)F)c2)c2nc3ccccc3nc12 2427455 GOFHZKMSWUEOCL-UHFFFAOYSA-N 387.752 4.700 30 40 GJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 5505258 IASKZDIUWFCWHP-MRXNPFEDSA-N 394.780 4.870 30 40 GJEB O=C(O)c1cc(-c2ccc(/C=N\Nc3nc4ccccc4[nH]3)o2)ccc1Cl 5615223 FQMNHZAKZUAKIO-FBHDLOMBSA-N 380.791 4.621 30 40 GJEB Cc1nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)nc(C)c1C 12475904 ABOXLXGUCBWJJX-UHFFFAOYSA-N 397.548 4.538 30 40 GJEB COc1ccc(OC)c(/N=C2\SCCCN2C(=O)c2cc3ccccc3o2)c1 12643713 BRSNAJWGSPZZOJ-DQRAZIAOSA-N 396.468 4.717 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(Sc3ccccc3)o2)c([N+](=O)[O-])c1 59502586 LASRIUNWZIJXND-WOJGMQOQSA-N 384.373 4.693 30 40 GJEB Cc1cc(=O)oc2cc(OC/C(=N/O)c3ccc(Cl)cc3)c(Cl)cc12 100111806 DBDLKGSJFVMCDL-QNGOZBTKSA-N 378.211 4.666 30 40 GJEB O=C(C[C@H]1S/C(=N/c2ccccc2)N(C2CCCC2)C1=O)Nc1ccccc1 107037650 FXSLWZZPPJDOGN-RSTPCFTMSA-N 393.512 4.590 30 40 GJEB CC(C)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccncc1 611261182 FPYTUOWLKOWABV-UHFFFAOYSA-N 386.455 4.845 30 40 GJEB C#CCN(CC)C(=O)Nc1ccc(-c2nc3ccc(OCC)cc3s2)cc1 1666777899 KKDMLZVMPUXBPS-UHFFFAOYSA-N 379.485 4.849 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@H]1c1ccccc1 16741378 SCXZVLMPRCORJY-LJQANCHMSA-N 397.858 4.503 30 40 GJEB C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(C(C)=O)cc2)C1=O 35039152 JNAZUGVJFIMYAR-CPNJWEJPSA-N 395.505 4.860 30 40 GJEB N#Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl 58162331 ZSHOBCZHTHDPIO-UHFFFAOYSA-N 375.859 4.529 30 40 GJEB CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OC(C)C 408900469 YPCMISLEKIRXDQ-UHFFFAOYSA-N 395.499 4.574 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 1764865 QOZARJBHPKYIKD-AQTBWJFISA-N 383.494 4.666 30 40 GJEB Cc1ccc([C@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)c(C)c1 2065966 LIQFTDFFTGZGCH-NRFANRHFSA-N 385.419 4.530 30 40 GJEB N#Cc1ccccc1COc1cccc(/C=N/NCc2ccc(Cl)cc2)c1 10119036 APNYJDIUOURDHX-CVKSISIWSA-N 375.859 4.914 30 40 GJEB Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1 32950899 SGIFUQNMFSRGLE-UHFFFAOYSA-N 393.439 4.784 30 40 GJEB COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O 59105687 XTUYNLHSEPIZGA-UNOMPAQXSA-N 378.428 4.879 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 104091196 OBVMAYOVAITCBE-MRJHHRETSA-N 387.410 4.760 30 40 GJEB C=CCOc1c(CC=C)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC 409013018 SHBPIZNOOZURLF-RAOBZKRQSA-N 387.501 4.823 30 40 GJEB COC(=O)N1C=Cc2ccccc2[C@@]1(C#N)C(=S)SCc1ccccc1 651208 XBYLXSCKDCUHSF-FQEVSTJZSA-N 380.494 4.719 30 40 GJEB CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(=O)N1CC 5241447 WELBUMLHKJNDBJ-DJOYVXLESA-N 396.512 4.586 30 40 GJEB N#CCn1c(CSc2c(Cl)cccc2Cl)nc2ccccc2c1=O 6000392 RIIAHKOYUBLFTO-UHFFFAOYSA-N 376.268 4.519 30 40 GJEB CCOc1cc2c3c(c1)/C(=N\c1ccc(OC)cc1)C(=O)N3C(C)(C)C=C2C 12406277 XKFKSZBDCFTTGP-HIXSDJFHSA-N 376.456 4.757 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccc(C)c1 14082160 QSLGRPXLNKCMAG-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB N#Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 39535630 UJWBVBAHOUBAMW-DEOSSOPVSA-N 382.419 4.589 30 40 GJEB O=C(Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1Cl)c1ccco1 102417296 WARSWWZHOZGIEZ-KEBDBYFISA-N 385.763 4.550 30 40 GJEB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 225845191 NTUGKBIOAGLAOL-UHFFFAOYSA-N 388.508 4.680 30 40 GJEB COc1ccc(/C(C)=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 409051955 OVYDPNOTRRGFTF-CIAFOILYSA-N 398.444 4.572 30 40 GJEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OCC 409062661 YOGDVDQCPLYPKQ-GDNBJRDFSA-N 381.881 4.748 30 40 GJEB O=[N+]([O-])c1ccc(Cl)c(/C=N\c2cccc(I)c2)c1 409106682 SKRWWAZSLQXFQA-PXNMLYILSA-N 386.576 4.603 30 40 GJEB COc1ccc(N2C(=O)CC[C@]2(C#N)c2ccc(OCc3ccccc3)cc2)cc1 2247478 WVASIJWEHGRIAL-VWLOTQADSA-N 398.462 4.820 30 40 GJEB Cc1cc(/N=C(/S)SCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1C 6484364 RFVUSECYNSSSHB-UHFFFAOYSA-N 376.459 4.791 30 40 GJEB N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCc2ccccc2C1 12418876 SQPGAXSICJWERG-UHFFFAOYSA-N 397.434 4.948 30 40 GJEB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc2ccccc2n1CCC#N 12627262 KOKGOZMSBUMIRE-GFCCVEGCSA-N 387.270 4.748 30 40 GJEB COc1ccc(/C=C(\C(=O)c2cccnc2)c2nc3ccccc3o2)cc1OC 26770713 MGKPFYNUZCNQPT-SFQUDFHCSA-N 386.407 4.664 30 40 GJEB CC(=O)[C@@H]1[C@@H](c2ccc(OC(C)C)cc2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 36006896 WTCVWOQOQLSCBX-WXFUMESZSA-N 397.478 4.590 30 40 GJEB Oc1c(Br)cc(Br)cc1/C=N/Cc1ccc(F)cc1 100330923 RHOVHTSGPYTOHP-QGMBQPNBSA-N 387.046 4.675 30 40 GJEB COc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 408748418 DDXXAPLCABVGFE-OVCLIPMQSA-N 379.268 4.894 30 40 GJEB CCCCOC(=O)c1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 409184073 IGJNADAOEVKGSH-BUVRLJJBSA-N 397.471 4.725 30 40 GJEB N#Cc1ccccc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409229772 UVVNBTXLMSCRFY-WOJGMQOQSA-N 389.798 4.569 30 40 GJEB Cc1cc(C)c(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1 1230713 MZJJVEDHWJYTAZ-CNHKJKLMSA-N 399.082 4.990 30 40 GJEB COc1ccc(N2C(=O)CC[C@@]2(C#N)c2ccc(OCc3ccccc3)cc2)cc1 2247479 WVASIJWEHGRIAL-RUZDIDTESA-N 398.462 4.820 30 40 GJEB C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cnccn1 2397407 DTIOGSCIMVENIB-UHFFFAOYSA-N 378.288 4.520 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccccc1OCC 4918590 VQKRHHLOQQMXAL-SIKLNZKXSA-N 382.431 4.544 30 40 GJEB C=CCn1c(SCC(=O)c2cc3ccccc3o2)nc2sc(C)cc2c1=O 5017281 RZNWAFPYRRORQN-UHFFFAOYSA-N 396.493 4.674 30 40 GJEB CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCc2ccccc21 7911968 SMUZIIKHQMKHLD-FQEVSTJZSA-N 393.556 4.837 30 40 GJEB Fc1nc(F)c(F)c(N/N=C/c2ccccc2OCc2ccccc2)c1F 8403650 ITPDMULHCALPDN-YSURURNPSA-N 375.325 4.663 30 40 GJEB Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)o1 8844552 DZIABLWGCLTAMV-UHFFFAOYSA-N 375.384 4.899 30 40 GJEB C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccccc1F 12603626 WNRASMSMRDELIM-OINPPHAGSA-N 390.281 4.531 30 40 GJEB Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1-c1nc2ccccc2o1 16545303 FNZNXFKCIZHTFH-PCLIKHOPSA-N 399.450 4.788 30 40 GJEB CCn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCCC3)C2=O)c2ccccc21 20649124 VAJAEOOFQGHUQN-LPYMAVHISA-N 388.467 4.579 30 40 GJEB CN(C)c1ccc(/C=N\CCCCCC/N=C\c2ccc(N(C)C)cc2)cc1 102891533 TZTVWMFSHHFTPL-DQIQZUARSA-N 378.564 4.917 30 40 GJEB CCCCCCCCCCCCCCCON1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O 104132320 VXJMRTBXUCTOBF-FXELSEDVSA-N 391.552 4.948 30 40 GJEB CC(C)OC(=O)COc1ccc(/C=N\c2ccccc2Br)cc1 409190308 RWQLNFJXUSVJKI-JAIQZWGSSA-N 376.250 4.530 30 40 GJEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccs1 409326609 MJPPHXOSDFRKRH-LLVKDONJSA-N 390.306 4.616 30 40 GJEB Cc1ccc(NC(=S)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 671689 SORVIZQWCLGTGG-HZHRSRAPSA-N 375.497 4.895 30 40 GJEB CCOc1ccc2nc(Cl)c(C[C@H](C#N)C(=O)Nc3ccc(F)cc3)cc2c1 883079 DIIYFRYRDCVXHZ-OAHLLOKOSA-N 397.837 4.747 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 1147185 PVZWNTSPMCNIAL-XDHOZWIPSA-N 399.443 4.636 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1 2445892 CEXGERZBDYSTEO-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1 2790311 NIBOQWOPBADJEO-DNTJNYDQSA-N 398.822 4.645 30 40 GJEB CC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2cccc3ccccc23)C1=O 4888927 NHTDBNAGOIIKID-FDJFIASXSA-N 377.469 4.677 30 40 GJEB C=CCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(CC)CC)cc1 5844409 UBBVOVYTYLSYTE-SFHVURJKSA-N 387.505 4.527 30 40 GJEB C=CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(C)cc3s2)n1 6748097 DHUSUZOZXBATKL-UHFFFAOYSA-N 376.894 4.579 30 40 GJEB CCCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc1OC 32639095 QNSVKKWFSPQMMZ-RMKNXTFCSA-N 382.456 4.932 30 40 GJEB CCN1CC[C@](O)(/C=C\c2ccc(C)cc2)[C@H](C(=O)/C=C\c2ccc(C)cc2)C1 59365229 YEYLFNINCAFXLC-ZOHNSAKHSA-N 389.539 4.672 30 40 GJEB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 408931140 HQGLTEGSLWANPO-BUVRLJJBSA-N 390.439 4.540 30 40 GJEB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCC2 1102606 FLHOMHATGIKCCI-VIFPVBQESA-N 381.284 4.821 30 40 GJEB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1[N+](=O)[O-] 1693034 ISKQVKRZTJNKOI-UHFFFAOYSA-N 395.455 4.995 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccco1 6295889 NNEKLJXWBPQHSL-UHFFFAOYSA-N 390.468 4.608 30 40 GJEB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1ccc(OCC#N)cc1 8321707 RATGILHCAAGCFC-ZHACJKMWSA-N 395.821 4.772 30 40 GJEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2nc3ccccc3n2C)o1 28230522 WZYJAXMOYIERCS-UHFFFAOYSA-N 387.439 4.726 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1C(F)(F)F 33736536 BJSYXEGEANQRSV-VULFUBBASA-N 393.368 4.965 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2OC)C(=O)N1C 38361084 SHFVIGPUWKUOHK-FOLIBTTPSA-N 382.485 4.500 30 40 GJEB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)c1cccc(N2CCCC2=O)c1 40139815 UVFQULDMQBWRKM-SDNWHVSQSA-N 398.462 4.684 30 40 GJEB CC(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1 101972823 LEOMDNLRONVSKY-NRFANRHFSA-N 399.494 4.854 30 40 GJEB Cc1cccc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2cccc(F)c2)c1 102800964 MIRYHCSYBZJOSJ-JBCNATCCSA-N 387.410 4.760 30 40 GJEB Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)S2)c1 408776682 QBZAVPRVIFLOFJ-NDENLUEZSA-N 388.496 4.689 30 40 GJEB N#C[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 1127854166 NDUPEPUXMUSGMT-KURKYZTESA-N 376.353 4.719 30 40 GJEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1Br 3568466 OZXBYWNGLLFGEY-UHFFFAOYSA-N 398.010 4.784 30 40 GJEB Cc1cccc(-n2c(S[C@@H](C)C#N)nc3sc4c(c3c2=O)CCCS4)c1 7441490 XJNLIDBYSYVWLS-LBPRGKRZSA-N 399.566 4.798 30 40 GJEB C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1cccc(C(F)(F)F)c1 12604109 VYQXNEQWKGZZNL-PAXNACJPSA-N 379.382 4.787 30 40 GJEB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Oc1ccc(C#N)cc1 16705587 YMTGGZBGPNNNHV-UHFFFAOYSA-N 384.844 4.775 30 40 GJEB CCOC(=O)Nc1sc(N/N=C/c2cccc(O)c2)nc1-c1ccc(C)cc1 16751474 IJORSMRJQGAFSA-CIAFOILYSA-N 396.472 4.839 30 40 GJEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 32908803 YDNOZHKGMCXADW-UHFFFAOYSA-N 398.816 4.657 30 40 GJEB N#C[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@H]1c1ccc2noc(-c3ccccc3)c2c1 77099422 HNRVIAMNYBJJSE-JXFKEZNVSA-N 383.407 4.733 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 98087255 OWSBKVZMSWKIGY-MOSHPQCFSA-N 395.480 4.805 30 40 GJEB CCOC(=O)/C(=N\Nc1ccccc1Cl)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102969405 VRBRGJFOLIXZKY-MGCDAVAMSA-N 377.916 4.529 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222686358 SNVBVXAGQSOZDS-UHFFFAOYSA-N 388.920 4.767 30 40 GJEB COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc12 408868897 PUZQPLPRUNUBTF-UNOMPAQXSA-N 378.428 4.879 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)S2)cc1 408963614 CUEBJAPDDZDKNM-RIYZIHGNSA-N 395.267 4.599 30 40 GJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc([N+](=O)[O-])c3)c2C)cc1 843461 PJXCGFBQGJQMBR-OEAKJJBVSA-N 391.427 4.930 30 40 GJEB COc1ccc(N2C(=O)CC[C@@]2(C#N)c2ccccc2OCc2ccccc2)cc1 987613 XXHDZRIDCZDFGQ-RUZDIDTESA-N 398.462 4.820 30 40 GJEB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)c1 1915112 IBHBRKZJQLCDRB-UHFFFAOYSA-N 375.302 4.815 30 40 GJEB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)C[C@@H]2c1ccc([N+](=O)[O-])cc1 3102152 IOGIAMAMKNYQOS-GOSISDBHSA-N 390.439 4.759 30 40 GJEB Brc1ccc(-c2cs/c(=N\C3CC3)n2N=C2CCCC2)s1 7975714 SWHWSAWJNSOCHT-ICFOKQHNSA-N 382.352 4.882 30 40 GJEB COc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccccc1 8570897 MCMBXUICAQSZSV-PXLXIMEGSA-N 381.453 4.522 30 40 GJEB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(C#Cc2ccccn2)c1 12538351 FBZRGBODOWYTLE-UHFFFAOYSA-N 393.446 4.708 30 40 GJEB N#CCCn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 14300949 VZYPQGOIWWUESC-QFIPXVFZSA-N 394.478 4.664 30 40 GJEB Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C)C3)cnn1C 17081605 RRSJLOUGMUBCFX-CHOFVFFHSA-N 398.576 4.728 30 40 GJEB CCCCOC(=O)c1ccc(/N=C\c2cc(Br)ccc2O)cc1 44835835 MAHJYTPCAWRLSP-NDENLUEZSA-N 376.250 4.862 30 40 GJEB O[C@H](CON=C1c2ccccc2-c2ccccc21)COc1ccccc1Cl 95117237 SMBFUUQQTXWULJ-HNNXBMFYSA-N 379.843 4.529 30 40 GJEB Cc1ccc([C@H](C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)s1 100005123 AIWLEVNDQYKFRQ-FQEVSTJZSA-N 388.529 4.916 30 40 GJEB Cc1cc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c2ccccc2c1 529107256 FGVRLRBMDGTEBT-UHFFFAOYSA-N 385.467 4.847 30 40 GJEB Cc1c(/C(CSc2ccc(Cl)cc2)=N/OC(C)C)sc2ncnn12 1398751 BOYNQVNJTZLULE-XSFVSMFZSA-N 380.926 4.674 30 40 GJEB Cc1ccccc1O/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1509550 JPDAEGUEAQTNAZ-LSDHQDQOSA-N 385.872 4.863 30 40 GJEB CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O 2062814 UKLBSPPEOLQKMV-UHFFFAOYSA-N 395.455 4.623 30 40 GJEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 4898752 PDIBVUAPZXPGBQ-JJGJMRCDSA-N 383.492 4.687 30 40 GJEB CCCCOc1ccc(NC(=O)CSc2nc(CCC)ccc2C#N)cc1 5585009 UISPKPZOIAIAHP-UHFFFAOYSA-N 383.517 4.815 30 40 GJEB COc1ccc(-c2cc3c4cc(C)ccc4oc4nc(N)c(C#N)c(n2)c43)cc1 5958700 GCDSVMZOQNSANP-UHFFFAOYSA-N 380.407 4.967 30 40 GJEB COc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)ccc1O 13660320 NHBRCSKDFNYRRG-DJOYVXLESA-N 394.496 4.947 30 40 GJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(N(C)C)cc2)cc1 16920331 KNVDURYSOFVXMO-XQNSMLJCSA-N 393.512 4.612 30 40 GJEB CCCCc1nnc(/N=C(\O)c2sc(-n3cccc3)nc2CCC)s1 49547245 PKDLERFVFMGTES-UHFFFAOYSA-N 375.523 4.717 30 40 GJEB COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(OC)c1 408844240 CRCGPNQXGNWBAU-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB N#CCc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408908129 UABAJFNQEJQGMG-CJLVFECKSA-N 383.407 4.840 30 40 GJEB Cc1cc(C)c2c(=O)c(/C=N/N=C(\N)SC/C=C/c3ccccc3)coc2c1 4665331 RRGFRMAGFDVDNM-VNXHVWHNSA-N 391.496 4.505 30 40 GJEB CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(CC)cc1 4919227 IOLZPMSLGGJZPA-FYYLOGMGSA-N 378.468 4.577 30 40 GJEB COc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1Br 6825844 FUCXPZKVDRTUNM-QGMBQPNBSA-N 399.082 4.985 30 40 GJEB C=CCn1c(SCCOc2cccc(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 7016458 ZBZLWIXFUATACK-UHFFFAOYSA-N 396.472 4.519 30 40 GJEB CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(Cl)cc3)cs1)C(=O)N2 13857160 PXYDLZUDZAFVFC-UHFFFAOYSA-N 382.876 4.794 30 40 GJEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 17145663 YJFBAXUKMJINBK-QFIPXVFZSA-N 399.446 4.868 30 40 GJEB Cc1cccc2c1OCC/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)C2=O 45849162 PRPDOMCORCQJNU-UVTDQMKNSA-N 375.346 4.545 30 40 GJEB CCn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 71785068 OXIQPAHQNCLVTM-MREFLGAGSA-N 376.500 4.727 30 40 GJEB CCCCCCCCCCCCCCCCC1=C(C(=O)OC)NC(=N)N[C@H]1O 104274688 LGKURTRDLRZUFD-FQEVSTJZSA-N 395.588 4.731 30 40 GJEB Cc1ccccc1OCc1nc(SCc2ccccc2Cl)nc(N)c1C#N 223682984 QDOKEPAQENCNOR-UHFFFAOYSA-N 396.903 4.764 30 40 GJEB C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 408534703 UDXORLSERPSZEA-RGEXLXHISA-N 396.537 4.723 30 40 GJEB N/C(S)=N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 6864514 FZYATCVCQXPOLA-NJRDNMGOSA-N 399.523 4.621 30 40 GJEB CC(C)(CC(=O)O)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 16481987 VDCJECMXLMVVPS-LBPRGKRZSA-N 376.522 4.600 30 40 GJEB C=CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccc(CC)cc2)c1=O 28537418 DUMVOFHXJYSSFS-UHFFFAOYSA-N 396.491 4.562 30 40 GJEB COc1c(C(=O)Nc2ccc(CC#N)cc2)cc2ccccc2c1Br 30831898 RGOJLGAVIFTJKQ-UHFFFAOYSA-N 395.256 4.929 30 40 GJEB O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1cccnc1 5520118 OPPJVOZHHJEVKL-MLPAPPSSSA-N 383.782 4.645 30 40 GJEB Cc1cc(N(CCC#N)CCC#N)ccc1/C=C\C(=O)Nc1ccccc1Cl 5732468 RXMFOKVXCVDROK-LUAWRHEFSA-N 392.890 4.934 30 40 GJEB O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc2c(c1)OCO2 6341043 NGPAOSOKDPJUKP-GORDUTHDSA-N 384.281 4.514 30 40 GJEB C=CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2OCC)NC1=O 6870658 SECSUDIDBDYHPV-RGEXLXHISA-N 380.469 4.542 30 40 GJEB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 13546994 KDKHHTADLRSZAE-ZITKWAPYSA-N 386.532 4.814 30 40 GJEB O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccc(Cl)cc1Cl 58673224 PWBRXMUKRDDXNW-UHFFFAOYSA-N 385.048 4.524 30 40 GJEB C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225053832 XAYRZDIZYRZHDT-UHFFFAOYSA-N 387.888 4.883 30 40 GJEB C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409329404 FJGLSHUKNVIGJC-ATVHPVEESA-N 398.465 4.565 30 40 GJEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(Cl)cc2)C1=O 2933599 VRFDRRWUPFXHJD-FOWTUZBSSA-N 385.872 4.884 30 40 GJEB Cc1ccc(C/N=C/c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)cc1 5544626 HGDMQOPCTWSSBR-YZSQISJMSA-N 396.494 4.543 30 40 GJEB C=CCOc1ccc(Br)cc1/C=N/NCc1ccccc1Cl 8811299 DXGWIUUPHQPCFN-CIAFOILYSA-N 379.685 4.791 30 40 GJEB COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 13510135 CUJQKPIQOCCCCD-QULNXHQNSA-N 394.559 4.811 30 40 GJEB CCn1c(N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)nc2ccccc21 408692474 NEYUMKCXQSRKII-LPYMAVHISA-N 389.415 4.979 30 40 GJEB C/N=C1/S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1C 408930457 XJWYCXUMUNMRJB-XTJABLFPSA-N 395.915 4.875 30 40 GJEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)C[N+]#N)CC[C@@H]32)C1 4104855 WEPCVLCWHNPDFP-QTLDOONUSA-N 387.544 4.999 30 40 GJEB biogenic,in-vitro C=CCOc1c(Br)cc(/C=C2\C(=O)Nc3ccccc32)cc1OC 4690370 TWQOMNDNZWJBKQ-ZROIWOOFSA-N 386.245 4.515 30 40 GJEB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 5559487 FJMRMPPMIDDDEX-INIZCTEOSA-N 379.218 4.643 30 40 GJEB C[C@@H]1CCC[C@@H](C)N1/N=C/c1cc(Br)cc(Br)c1O 5754259 HCKUBOUDEFJALS-HUSMWSMPSA-N 390.119 4.514 30 40 GJEB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/Nc1ccc(C(=O)O)cc1 7890695 YMSZFYRDQPMXTI-UFFVCSGVSA-N 389.242 4.632 30 40 GJEB C/C(Cc1ccccc1OC(=O)c1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1 12558786 HKZBREDJQZQELZ-XQNSMLJCSA-N 389.411 4.845 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1ccc(OCC)cc1 16739604 DSXQWBOBXWEFGJ-PKEPYMRNSA-N 394.496 4.884 30 40 GJEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 19867057 PKBIRFKIXJLZQG-LJQANCHMSA-N 387.907 4.896 30 40 GJEB C=CCOc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 44902433 XPMKGZOJOODWGR-UHFFFAOYSA-N 381.453 4.845 30 40 GJEB Cc1ccc(F)c(/N=C2\NN=C(c3cc(C)n(CC(F)(F)F)c3C)CS2)c1 63311574 KTZGUWSUCCELFI-UHFFFAOYSA-N 398.429 4.843 30 40 GJEB CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 71785067 OXIQPAHQNCLVTM-PRQRLPCPSA-N 376.500 4.727 30 40 GJEB CN1C(=O)/C(=N\Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2C1=O 100914068 AQNQTFLHSUNTEA-BXKMSANMSA-N 383.411 4.530 30 40 GJEB Cc1ccccc1COc1nn(Cc2ccc(Cl)c(Cl)c2)c(N)c1C#N 225847022 NUXBIXHIPVMHEK-UHFFFAOYSA-N 387.270 4.580 30 40 GJEB COc1cc(C)c(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)cc1OC 408548491 HUNHPPNMFLGTBB-ODLFYWEKSA-N 382.485 4.521 30 40 GJEB N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(CCCn2ccnc2)CC1 543046446 NBLPKCKAZJVRJS-UHFFFAOYSA-N 397.885 4.792 30 40 GJEB C=CCOc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1CO 1542984510 AYCXSTRXSISWBC-UHFFFAOYSA-N 376.452 4.902 30 40 GJEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(Cl)c(C(F)(F)F)c1 7018297 SLKIZWVIJVEESR-BMIGLBTASA-N 378.847 4.894 30 40 GJEB C=CCn1c(SCC(=O)NC2CCCCCCC2)nnc1C1CCCCC1 8231066 ZQYNRNRGBBYVKG-UHFFFAOYSA-N 390.597 4.833 30 40 GJEB Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 32984101 KXPJXSUFGCMWCN-UHFFFAOYSA-N 375.449 4.645 30 40 GJEB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 34202695 PPELYUTTZHLIAZ-HZZOJEDPSA-N 387.520 4.612 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3cccc(C)c3)c(C#N)cc2c1 35289110 QJXZQCIPSYGWGR-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB C=C(C)COc1cccc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)c1 79019664 PLKQYGVGKRMXEL-JOCHJYFZSA-N 380.488 4.545 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCCCC4)nc3)c2C#N)C1 84700275 LWJPXEAWDXKNNW-HNNXBMFYSA-N 394.544 4.772 30 40 GJEB CC(C)c1ccc(OCC(=O)Nc2ccc(CC#N)cc2)c(Br)c1 218870781 CQBUADXXIWYDKY-UHFFFAOYSA-N 387.277 4.656 30 40 GJEB C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1OC 408767108 VVDBDPFJOGAMIO-ZHZULCJRSA-N 378.497 4.878 30 40 GJEB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1 409323018 ZBQFASARDNSNMZ-CYBMUJFWSA-N 384.277 4.555 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccn(C(F)F)n3)c2C#N)C1 2782529 POHVJROAWKQOKR-JTQLQIEISA-N 378.448 4.615 30 40 GJEB Cc1ccccc1C(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 4343686 FJCTWDJLJDFDPT-UHFFFAOYSA-N 394.290 4.797 30 40 GJEB C#CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OCC 6959232 LPIZZDDDHQFQNP-FYJGNVAPSA-N 388.261 4.619 30 40 GJEB N#CCCN(C(=O)CN1CCC[C@H]1c1cccc(Cl)c1)c1ccccc1F 58014239 INFWRHPPVHXGGL-IBGZPJMESA-N 385.870 4.563 30 40 GJEB CCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 408709389 RYLYJUPAUFIGFQ-UHFFFAOYSA-N 383.330 4.563 30 40 GJEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C 409392521 QACOWPLCKWWBOV-UHFFFAOYSA-N 386.407 4.773 30 40 GJEB COc1cc(/C=N/OCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 5879815 NZTIBPAAFNQNHN-ZVHZXABRSA-N 391.423 4.523 30 40 GJEB CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1 17945716 QTMXCZCRGVTYQT-WNSKOXEYSA-N 388.423 4.793 30 40 GJEB CCCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 102799875 GWWNBVJONRISQG-YDJIHCHBSA-N 381.447 4.828 30 40 GJEB N#Cc1cc2c(nc1SCC(=O)N(c1ccccc1)c1ccccc1)CCC2 1010235 DJPBJAJGCSNDHK-UHFFFAOYSA-N 385.492 4.899 30 40 GJEB S=C(N/N=C/c1cc2ccccc2nc1Cl)Nc1ccccc1Cl 3282125 NYKAHRDOFCSCQG-KEBDBYFISA-N 375.284 4.862 30 40 GJEB Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c(C#N)c(C)c1Cl 3622895 OESCXYUUHLDODJ-UHFFFAOYSA-N 399.825 4.973 30 40 GJEB CCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1 5500994 MVUPYMPHLQNZBA-DJKKODMXSA-N 381.657 4.907 30 40 GJEB O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\C=C\c1ccccc1 15015627 JFGKMJPRMYMQPB-QSJINSDNSA-N 385.286 4.897 30 40 GJEB CCOc1ccccc1-c1nnc(/N=C(\O)[C@@H]2CCN2C2CCCCC2)s1 19656004 WOXIFGYNRIPCMN-INIZCTEOSA-N 386.521 4.599 30 40 GJEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1 58174261 YLAVWMIEBPSFAG-UHFFFAOYSA-N 398.422 4.568 30 40 GJEB COC(=O)c1cc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)ccc1Cl 408723364 SSWUVLFIDYZKCT-SSDVNMTOSA-N 394.818 4.709 30 40 GJEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)c1 5595145 UJXNFFNEQLRUKW-KEBDBYFISA-N 381.779 4.831 30 40 GJEB Cc1cc(S[C@H](C)C(=O)N2CCCCCC2)n2c(nc3ccccc32)c1C#N 7095414 VFNAFZLQUMSDJG-MRXNPFEDSA-N 392.528 4.551 30 40 GJEB N=C(N/N=C/c1cccc(OC(F)(F)F)c1)SC/C=C/c1ccccc1 16739984 PJMBOWACXCOSSO-GKZFOPAHSA-N 379.407 4.890 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(C)cc1 16788753 IMQCJTISXPSALS-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB O=C(/C=C/c1csnn1)c1ccc(-c2ccccc2Br)s1 40139857 ZYRCAJCWLRNGOO-AATRIKPKSA-N 377.288 4.925 30 40 GJEB C/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2ccccc2F)s1 98054658 ANRYKVKZRYCXIL-FYJGNVAPSA-N 388.489 4.794 30 40 GJEB O=c1c(C2=NCCCCC2)c(/N=C/c2ccc(Cl)cc2)[nH]n1-c1ccccc1 102613273 UPJOBXQKBKWICX-MFKUBSTISA-N 392.890 4.933 30 40 GJEB C=CCOc1ccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)cc1 225734737 CWDPDUHTYOWNDY-UHFFFAOYSA-N 383.561 4.763 30 40 GJEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC=C)C2=O)cc1OCC 409338506 LBVHVSBFYKFYBZ-PTNGSMBKSA-N 395.933 4.691 30 40 GJEB N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 505922758 LHPFBIWZTLVPBQ-PEBVRCNWSA-N 381.209 4.756 30 40 GJEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 2955431 LOCZGZQTVRRHNE-INIZCTEOSA-N 396.855 4.579 30 40 GJEB CCCC(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F 3024747 DAXHTXZCXSLBIT-UHFFFAOYSA-N 380.691 4.628 30 40 GJEB C#CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OC 6962109 NRUNKNKGTHTUBR-FYJGNVAPSA-N 388.261 4.619 30 40 GJEB C[C@H](c1nnc(SCc2ccccc2C#N)n1-c1ccc(Cl)cc1)N(C)C 7015731 MANXDLGTLNPTDS-CQSZACIVSA-N 397.935 4.707 30 40 GJEB CCn1cc(/C=C2/Oc3c(ccc(OC(=O)C4CC4)c3C)C2=O)c2ccccc21 8992564 ZEIGZFJQLKDBDU-CIAFOILYSA-N 387.435 4.901 30 40 GJEB C=CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nc(C)cs1 44085725 MHKOCCRBXUUBHS-UHFFFAOYSA-N 384.530 4.540 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cnn(C)c3C)C[C@H]12 105544360 FNMQPGMXOHYDGL-ITJCBAEGSA-N 390.527 4.856 30 40 GJEB Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408849174 YCNWWYPTSFECNQ-KSEXSDGBSA-N 396.830 4.895 30 40 GJEB C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 409038824 PPHFOPZAVHNPFB-DHDCSXOGSA-N 397.949 4.771 30 40 GJEB CC(C)n1cccc1CN1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1 585294497 GWVRTKLXYRLLEH-QFIPXVFZSA-N 386.503 4.811 30 40 GJEB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1421596 PSGAAPLEWMOORI-BWOBJDDWSA-N 386.532 4.655 30 40 GJEB C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 2294554 PANJIKHAMZJNOH-UHFFFAOYSA-N 384.526 4.613 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(O)c(O)c1 4459171 VJVMBAIVHPJBTM-NRFANRHFSA-N 386.451 4.847 30 40 GJEB C=CCOc1ccc(/C=C(/Sc2nnc(-c3ccc(F)cc3)o2)C(=O)O)cc1 6312955 KTPDSNUAAVNAJR-SFQUDFHCSA-N 398.415 4.658 30 40 GJEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C)SC1=S 13899152 LFKWAQHNYMREBO-UYRXBGFRSA-N 381.522 4.961 30 40 GJEB CCCCCCCCCCCCN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 97995527 BKOFNMDBMHRLNQ-FQEVSTJZSA-N 376.516 4.968 30 40 GJEB CCCCCCCCCCCCNC(=O)C(=O)NCc1ccccc1Cl 98023149 NJGMRRXQTSKJEC-UHFFFAOYSA-N 380.960 4.993 30 40 GJEB O=[N+]([O-])c1cccc(/C=N\CCCCCC/N=C/c2cccc([N+](=O)[O-])c2)c1 104063661 JYWRJFIEBKZZSB-KBNZVFGVSA-N 382.420 4.601 30 40 GJEB C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1OCC 408621449 OCCWIEODZRPMQY-UHFFFAOYSA-N 394.240 4.804 30 40 GJEB Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408852277 RNMZVVRONKDMTE-KSEXSDGBSA-N 396.830 4.895 30 40 GJEB Cc1c(Cl)cccc1N/N=C(/C#N)C(=O)c1ccc(Br)cc1 2146772 QOMOJLKUEQWMNZ-QNGOZBTKSA-N 376.641 4.585 30 40 GJEB C=C1[C@@H](C(=O)Nc2cccc(SC)c2)[C@@H]1C(=O)Nc1cccc(SC)c1 3177504 LSIIURWSSDYPPN-QZTJIDSGSA-N 384.526 4.510 30 40 GJEB Cn1c2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2c2nc3ccccc3nc21 4737540 JGJMXYAKSSINFJ-YDZHTSKRSA-N 381.395 4.934 30 40 GJEB CC(=O)Oc1c2ccccc2c(OC(C)=O)c2c(C#N)c(-c3ccccc3)oc12 4776534 HGALPQIZKSXQHY-UHFFFAOYSA-N 385.375 4.975 30 40 GJEB CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccn2)cc1 5799215 OXEDXXDMNLANKS-QFIPXVFZSA-N 398.462 4.988 30 40 GJEB CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 6820260 PNLMIGUTVCVJJF-CRAIPNDOSA-N 395.886 4.743 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1C 14081887 QFTUTBSHYXYRRB-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB CCCCCCCCCCCCOC(=O)CSc1ncnc2nc[nH]c12 97971312 GWBDMEDFJRBYAD-UHFFFAOYSA-N 378.542 4.909 30 40 GJEB C[C@@H]1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 245265348 GGOGNFQWTSTWHA-RQDKYUEZSA-N 378.384 4.969 30 40 GJEB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 253499237 ZNSPUNVBZGKQFL-YCWAJQNMSA-N 386.576 4.897 30 40 GJEB biogenic O[C@@H](c1ccc2ccccc2c1-c1c([C@@H](O)[C@H]2CO2)ccc2ccccc12)[C@H]1CO1 261491078 XSHBWGANXOEJEI-QMWXCIFZSA-N 398.458 4.524 30 40 GJEB C#CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408557933 PMHMPKCYKBBNMX-HXUWFJFHSA-N 387.888 4.529 30 40 GJEB Fc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 408930866 DAHVSSKHJZHOBY-YZSQISJMSA-N 390.458 4.992 30 40 GJEB CCOC(=O)Cn1c(C)c(/C=N/Nc2nc3ccccc3s2)c2ccccc21 409032918 DWNSCLIFTZCFSM-WSDLNYQXSA-N 392.484 4.569 30 40 GJEB CCCCOc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1 1780625 KAIWBYKDRLHQTR-OEAKJJBVSA-N 380.517 4.940 30 40 GJEB COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 4490677 PLSHTFYOCOOSOF-UHFFFAOYSA-N 394.858 4.890 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2C#N)C1 5529382 ZUPAGRYUMRPXJG-LURJTMIESA-N 388.308 4.516 30 40 GJEB COC(=O)CN=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 6440802 URGCHABGQAFGSG-UHFFFAOYSA-N 389.295 4.735 30 40 GJEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Cl)c2C#N)C1 6824574 TXZJBUPNQKFMLD-JTQLQIEISA-N 389.933 4.525 30 40 GJEB COc1cc(/C=C/C(=O)c2ccc(OC)c3ccccc23)cc(OC)c1OC 7353053 CCJCPQOSBZODEE-PKNBQFBNSA-N 378.424 4.770 30 40 GJEB Cc1sc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc1-c1ccc(F)c(F)c1 9125692 YWFVBITXYGMIFN-NSHDSACASA-N 399.422 4.674 30 40 GJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccccc1Br 12907340 SJHKFCGHHFHYNC-LBPRGKRZSA-N 398.260 4.504 30 40 GJEB N#Cc1c(N)nc2c(c1N)[C@H](c1ccc(F)cc1)c1ccc3ccccc3c1O2 36559234 CPLPBVTYXYWOGE-GOSISDBHSA-N 382.398 4.696 30 40 GJEB Cc1sc2ncnc(Sc3ccccc3C(=O)OCCCC#N)c2c1C 36638405 SIXTYKRYABZFCX-UHFFFAOYSA-N 383.498 4.920 30 40 GJEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 48339729 URIVEHGIUASIHG-NRFANRHFSA-N 398.526 4.779 30 40 GJEB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)S2)c(C)c1 59459408 RHRPDNITQRLHCI-SXGWCWSVSA-N 387.848 4.757 30 40 GJEB CC1(C)C=C(O)[C@@H]([C@H](C#Cc2ccccc2)C2=C(O)CC(C)(C)CC2=O)C(=O)C1 102473389 IGTTWKKYQJDBTO-HTAPYJJXSA-N 392.495 4.913 30 40 GJEB C/C(=N\O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3[C@](C)(O)C[C@]12C 118917607 LTIHRQTXIOHGBO-VFGLNOPVSA-N 376.541 4.687 30 40 GJEB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc21 208247293 JQDDDLKRLHAUEF-PGCIDKTFSA-N 387.871 4.811 30 40 GJEB CCc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)cc1C 2239942 VUHIIPXPLSYWJV-UHFFFAOYSA-N 375.291 4.562 30 40 GJEB N#Cc1c2n(c(=S)n(-c3ccc(Oc4ccccc4)cc3)c1=O)CCCCC2 3235247 QVGDANNJLQBZQG-UHFFFAOYSA-N 389.480 4.759 30 40 GJEB Cc1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ncnn32)cc1 4520769 OSHXQSBOVXMEIY-IERDGZPVSA-N 390.874 4.656 30 40 GJEB CCOc1ccc(NC(=S)N/N=C(\C)c2cccc(C(F)(F)F)c2)cc1 4871686 ZCZDGGHODGYZKO-FSJBWODESA-N 381.423 4.815 30 40 GJEB CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 4934913 ALYYALWJRRFUQD-VDDKDFEESA-N 379.529 4.856 30 40 GJEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C)cc1 5477630 RFJXSBWFCCZCTR-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB N#Cc1ccccc1CSc1nnc(N2CCCC2)n1-c1ccccc1Cl 7078053 PSZHXTVMWRTYOG-UHFFFAOYSA-N 395.919 4.685 30 40 GJEB Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccco4)o3)o2)c1 12419009 BLADFNNLGKSKDD-UHFFFAOYSA-N 375.384 4.899 30 40 GJEB C=CCOc1ccccc1CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 19016106 SQROFCDKPQQMTF-UHFFFAOYSA-N 398.890 4.650 30 40 GJEB c1ccc(/C(Cc2nc3ccccc3[nH]2)=N\N=c2\[nH]c3ccccc3s2)cc1 33605728 LTCFPMNJKPDJNG-XHPQRKPJSA-N 383.480 4.653 30 40 GJEB CCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 71785071 PROOCHLOKDKNMI-XZXWLPLMSA-N 376.500 4.727 30 40 GJEB C#CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 226325119 XMYSEORIKQZYOC-UHFFFAOYSA-N 380.827 4.871 30 40 GJEB CCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 408628627 VNMNYUZLFCATCN-LBPRGKRZSA-N 377.579 4.774 30 40 GJEB O=C(NCc1ccccc1)c1c(/N=C\c2cccnc2)sc2c1CCCC2 408781818 DZKRKMXLRUTTIE-MYYYXRDXSA-N 375.497 4.703 30 40 GJEB Cc1ccc(SC[C@@H](O)CSc2nc(C)c3c(c2C#N)CCCC3)cc1 1436752 CBEWZEOYGFTWEW-MRXNPFEDSA-N 384.570 4.694 30 40 GJEB O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O 5005925 YGKOIYORVZVAID-SSDVNMTOSA-N 377.331 4.998 30 40 GJEB Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1 5800763 GLOMHYPUKJAOIB-OAQYLSRUSA-N 387.410 4.917 30 40 GJEB CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 6187405 VGAWRLKHWJBDBC-QFIPXVFZSA-N 398.462 4.536 30 40 GJEB O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6226808 XQEQGRAXVRIFJL-DZDNCDRKSA-N 380.282 4.633 30 40 GJEB Cc1ccc(NC(=O)CO/N=C\c2ccccc2OCc2ccccc2F)cc1 34689075 LZGXYEQSJIVROO-QFEZKATASA-N 392.430 4.702 30 40 GJEB CCCCCCCCOC(=O)c1ccccc1OP(=O)(N(C)C)N(C)C 104219273 VFFQIGHQQGSBSX-UHFFFAOYSA-N 384.457 4.814 30 40 GJEB COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c(OC)c1 408905799 DYVLBWBKMNYZQG-FOLIBTTPSA-N 382.485 4.716 30 40 GJEB C=CCc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(OC)c1OCC 409017222 FGIMRCRPCZSEFR-LVLBFHFTSA-N 375.490 4.657 30 40 GJEB COc1ccc(-n2c(SCCCC#N)nnc2-c2ccccc2)cc1Cl 4254289 YOJPWFOEUUWZHX-UHFFFAOYSA-N 384.892 4.992 30 40 GJEB N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 6790367 PPGJTEDOYFSTOL-UHFFFAOYSA-N 384.844 4.805 30 40 GJEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 8073568 KJTDRRKLWKJFIJ-UHFFFAOYSA-N 378.472 4.566 30 40 GJEB Cc1noc(C)c1C/C(O)=N/c1nc([C@@H](C)c2ccc(CC(C)C)cc2)n[nH]1 95477052 RDJKFIGQAMFACL-ZDUSSCGKSA-N 381.480 4.591 30 40 GJEB C=CCc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cc(OCC)c1O 408848127 PIZFOARQQICTAG-UYRXBGFRSA-N 394.496 4.719 30 40 GJEB CCN(CC)c1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 4064069 KWAZKBGXYZXSCA-UHFFFAOYSA-N 376.485 4.780 30 40 GJEB C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 4081867 XSNMCQGNVPSIQM-CKOZHMEPSA-N 384.516 4.575 30 40 GJEB biogenic COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 4293268 NFHCIZUAAYUBCX-CSKARUKUSA-N 379.368 4.768 30 40 GJEB Oc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c(O)c1 4828221 NEQGKJJRNUUENM-FSJBWODESA-N 390.830 4.807 30 40 GJEB CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2ccccc2C)C1=O 4934917 ALYYALWJRRFUQD-SOXUWCDVSA-N 379.529 4.856 30 40 GJEB C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OCC)c2)C1=O 6224106 DVSNPPMNRZRWIS-PILJQMSFSA-N 393.892 4.586 30 40 GJEB Cc1ccc(NC(=O)CCNc2oc(-c3ccccc3)nc2C#N)cc1Cl 32622259 CXJIDJMWYWQPQM-UHFFFAOYSA-N 380.835 4.616 30 40 GJEB CCN(CCC#N)Cn1nc(-c2ccccc2)n(-c2cccc(C)c2)c1=S 48290313 NZVZSJAKHQPQBS-UHFFFAOYSA-N 377.517 4.572 30 40 GJEB Cc1sc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c(C#N)c1C 57982830 DGCVWAZLMKEOEY-UHFFFAOYSA-N 392.509 4.794 30 40 GJEB COC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 59427112 VLYHTHHVEOICJR-LPYMAVHISA-N 377.400 4.540 30 40 GJEB CC(=O)C1=C(O)OC(C)=C[C@@]12Nc1cc(C(C)(C)C)cc(Br)c1O2 100489678 JHQJJKXUPHRNMC-SFHVURJKSA-N 394.265 4.540 30 40 GJEB CC(C)(C)c1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 408845332 WAWGDKMORMSZLN-BKUYFWCQSA-N 391.309 4.927 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 408916011 SXCFKEGDRHINBW-NFYBBCHUSA-N 382.485 4.723 30 40 GJEB C=CCn1c(SCC(=O)c2ccc(OCC)cc2)nnc1-c1ccccc1F 2622791 CHCYZCLNTRUSTL-UHFFFAOYSA-N 397.475 4.644 30 40 GJEB CC(C)C(=O)NC(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F 3024801 JLUVSCFXTWBWHZ-UHFFFAOYSA-N 396.253 4.710 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 6343715 JNPJNOFPXCCGPQ-LPYMAVHISA-N 381.819 4.991 30 40 GJEB Nc1cccc(OC2(Oc3cccc(N)c3)C=CC(C(=O)c3ccccc3)=CC2)c1 71619167 SZOSBUBZKMVMGS-UHFFFAOYSA-N 398.462 4.774 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N/c1ccc(C)c(C)c1 96610561 CUUUQUBCYZWQTF-DOGHIQQUSA-N 382.485 4.642 30 40 GJEB CCOc1ccc(/N=C2/S/C(=C\c3ccc(OC)cc3)C(=O)N2CC)cc1 97464875 XQLNMFMHNGIBOH-GKVQKNEHSA-N 382.485 4.718 30 40 GJEB N#Cc1ccccc1COc1ccccc1/C=N/OCc1cccc([N+](=O)[O-])c1 408591877 KXNWIOSVWLAILG-ZVHZXABRSA-N 387.395 4.596 30 40 GJEB O=[N+]([O-])c1cccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 409036669 LGCDIFVYPORKAZ-HOEBFWFUSA-N 399.222 4.569 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 409105710 JEIROQUFCZPHKI-XSFVSMFZSA-N 395.480 4.887 30 40 GJEB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O 409345317 LKYLFMNQYKQONF-ODLFYWEKSA-N 378.453 4.582 30 40 GJEB N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 831479 UMYOGWNKNHOQGF-UHFFFAOYSA-N 383.201 4.958 30 40 GJEB O=C(C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2)c1cccs1 3211410 XYKWECAGWGQVFS-UHFFFAOYSA-N 379.427 4.618 30 40 GJEB COc1cccc(C(=O)O/N=C/c2ccc(Sc3ccc(C)cc3)nc2)c1 5416078 VOQSKYFHLOAUCD-OEAKJJBVSA-N 378.453 4.741 30 40 GJEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)n(-c2ccnn2C(C)C)c1C 8720754 QWGLQJGDUIXPTR-QFIPXVFZSA-N 389.503 4.624 30 40 GJEB CC/C(C)=N\N=c1/[nH]c2cc(C)c(NC(=O)COc3ccccc3)c(C)c2s1 72228762 MEWSHXFGTBQKLC-OYKKKHCWSA-N 396.516 4.550 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C#N)c1 225759253 BOUZKRFQCPZRNM-UHFFFAOYSA-N 376.456 4.633 30 40 GJEB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)o1 408593567 QFTKLQQJARDWLT-RGVLZGJSSA-N 381.344 4.622 30 40 GJEB CCOc1cccc(C=Nn2c(C3CCCCC3)nc3ccccc3c2=O)c1 409294725 BOZLCNPZTQRAFJ-UHFFFAOYSA-N 375.472 4.725 30 40 GJEB F[C@H](C(F)(F)F)C(F)(F)OCCCC(F)(F)C(F)(F)Br 1083807958 ILDGPBNSVRUCJG-SCSAIBSYSA-N 389.027 4.899 30 40 GJEB CCc1ccc2nc(SCC(=O)Nc3ccccc3CC)c(C#N)cc2c1 4848918 ZXTNCEHSYRRJHA-UHFFFAOYSA-N 375.497 4.962 30 40 GJEB CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc1 4987354 YMJNNKFTPDGAIT-RDJZCZTQSA-N 381.497 4.540 30 40 GJEB CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1ccccc1 17207209 DEGQLUDNLRUZQM-SGKGABTISA-N 395.528 4.754 30 40 GJEB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 32755372 MOHPKAPEDPARMT-UHFFFAOYSA-N 385.851 4.740 30 40 GJEB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1C#N 408541931 GONHIBNYGVVWSV-CSKARUKUSA-N 391.383 4.521 30 40 GJEB N#Cc1ccccc1CO/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 408594132 GBBGTWZHBDNFBY-ZVHZXABRSA-N 387.395 4.596 30 40 GJEB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\OCc3ccccc3)c2C)cc1 408775184 FNWLNTAAGGZIKM-IWIPYMOSSA-N 376.456 4.822 30 40 GJEB CCOC(=O)c1ccc(/N=C2/C(=O)N3c4c2cc(C)cc4[C@H](C)CC3(C)C)cc1 2334271 MPBYQWYJOXKULP-IVSOZVEDSA-N 390.483 4.925 30 40 GJEB CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CCC2 3110664 SLCUGOPVSIQANW-DJKKODMXSA-N 394.290 4.632 30 40 GJEB C/C(=N\S(=O)(=O)c1ccc(Cl)cc1)Nc1cc(C(C)C)c(O)cc1C 4619035 NHQYXRAMXOSBIF-UHFFFAOYSA-N 380.897 4.697 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(C(=O)OCC)cc2)S/C1=N\c1ccccc1 17080627 USMPGVRSPKGNMC-MVPFZZEBSA-N 394.496 4.877 30 40 GJEB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)ccc1OCC#N 33581403 DCCCLIJXBDEYEB-QINSGFPZSA-N 394.452 4.613 30 40 GJEB Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)S2)c1 111506874 MQILKMUKTQWFAP-UDWIEESQSA-N 375.497 4.995 30 40 GJEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 219783758 CWGSKPLSSMZDFU-UHFFFAOYSA-N 392.499 4.910 30 40 GJEB N#CCCOC[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 221836834 GJIOBJXBJWRYBP-WQGWLQIFSA-N 383.917 4.768 30 40 GJEB CCOc1ccc2cc(C3=C/C(=N/Nc4ccc(OC)cc4)C(=O)O3)ccc2c1 408726128 PUGAQSNQXNTFIS-DAFNUICNSA-N 388.423 4.613 30 40 GJEB CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N\c1c(C)cccc1C 408906452 JLTOUHFBDFHLEO-AUEHGNIOSA-N 394.496 4.964 30 40 GJEB C/N=C1/S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1C 408928440 BIHUMBFXGFFFNP-IZSQXYTLSA-N 388.492 4.951 30 40 GJEB C#CCCCC(=O)N1CCC[C@@H]1c1ncc(-c2ccccc2C(F)(F)F)[nH]1 585138548 ZWNCJJKGNOKLFW-QGZVFWFLSA-N 375.394 4.563 30 40 GJEB Cc1cccc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O 830523 HWURGDFPJRCUEH-DHRITJCHSA-N 387.508 4.943 30 40 GJEB COc1cc(CNC2CCCCCCC2)cc(Br)c1OCC#N 2181886 CWLJSHKCQKBYCI-UHFFFAOYSA-N 381.314 4.563 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2ccccc21 4492748 JWYWQKNWSRWNGR-HNNXBMFYSA-N 379.485 4.544 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 6527198 BCCCZZPVWYISIP-PGHTXZSESA-N 376.500 4.553 30 40 GJEB CSc1ccc(/C=N/c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 9553435 XMOYIBFNRJHXTP-RCCKNPSSSA-N 388.558 4.770 30 40 GJEB C=CCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116936 IYCLRCGANRWEMA-GOSISDBHSA-N 381.863 4.758 30 40 GJEB C[C@@H](SCCOc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F 15498460 CLMJWVVIZMMWCG-CYBMUJFWSA-N 394.418 4.716 30 40 GJEB C#CCOc1ccc(/C=C2\ON(c3ccccc3)N=C2C)cc1Br 16161063 CRMWBQPEHNGZKG-UYRXBGFRSA-N 383.245 4.630 30 40 GJEB C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccc(OC)cc2)o1 27984025 KCKWAYHORMCNBJ-UHFFFAOYSA-N 377.440 4.526 30 40 GJEB C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 30755007 YAPDFRWJGRMZAH-QFIPXVFZSA-N 388.467 4.552 30 40 GJEB CCCCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1 70665767 ZXMNHEQMEIEJGC-YADHBBJMSA-N 391.552 4.991 30 40 GJEB biogenic CC(=O)[C@]1(SCCO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936564 SJVXJEWDULFCDU-DTILQVPTSA-N 390.589 4.572 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2C)C2=C(CCCC2=O)N1 876506 AJGHMWNFLRJQSL-HSZRJFAPSA-N 386.495 4.910 30 40 GJEB C=CCN(CC=C)C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 6158418 CNGROOLXJFTCKD-UHFFFAOYSA-N 385.423 4.964 30 40 GJEB CCc1ccc(N/C(=N/C(=O)c2ccc(F)cc2)Nc2nc(C)cc(C)n2)cc1 13785026 IRZIAKFBAVQUNR-UHFFFAOYSA-N 391.450 4.515 30 40 GJEB CN(C/C(O)=N/c1cc(Cl)ccc1C#N)Cc1ccccc1C(F)(F)F 24926423 JTGKDIUJXMDKCE-UHFFFAOYSA-N 381.785 4.950 30 40 GJEB N#Cc1c(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)sc2c1CCC2 84502118 WWNMHRYOEWSLCY-STQMWFEESA-N 376.403 4.869 30 40 GJEB Cc1ccc(/N=C(\c2ccccc2)N(C)S(=O)(=O)Cc2ccccc2)cc1 103887231 UYOQWWZMMNVMRD-GHVJWSGMSA-N 378.497 4.535 30 40 GJEB C=CCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c2ccccc12 225924725 AHTCKBNUCGXNPB-UHFFFAOYSA-N 384.476 4.646 30 40 GJEB COc1ccc2c(c1)-c1nc(/N=C/c3ccc(C)c([N+](=O)[O-])c3)sc1CC2 408722384 IACCXBWHFLQCBO-SRZZPIQSSA-N 379.441 4.885 30 40 GJEB Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(C)c1OCc1ccc(F)cc1 408853754 RFCKHDCVCYQRNP-MYKKPKGFSA-N 394.406 4.771 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2C(C)C)cc1 408916413 XFLLIVQCVODFGO-KDWIEBRMSA-N 381.457 4.916 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(F)cc3)S2)cc1 408961558 NCLQBOFIUZPKTM-CPNJWEJPSA-N 393.443 4.517 30 40 GJEB Cc1ccc(CNC(=O)c2ccccc2/N=c2\oc3ccccc3cc2C#N)cc1 1775966666 SRENHSMIPJLMTO-FVDSYPCUSA-N 393.446 4.775 30 40 GJEB C#CCSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 2679958 JEVCCJBJCORMBC-UHFFFAOYSA-N 394.550 4.895 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 4993389 JWQWIHXBHQECLZ-QHCPKHFHSA-N 386.495 4.910 30 40 GJEB CCN(CC)c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 6386917 AFAYCCGQUXJLAJ-NLRVBDNBSA-N 396.494 4.792 30 40 GJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC(c1ccccc1)c1ccccc1 7667521 RYWKWZNDCMRZKL-UHFFFAOYSA-N 381.435 4.770 30 40 GJEB C=CCNCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 8254134 CPRHPMVKZAHUKR-UHFFFAOYSA-N 394.284 4.842 30 40 GJEB COc1ccccc1/C=C/C=C1\Oc2c(ccc(O)c2CN2CCCCC2)C1=O 20518910 RZHAGHCGZZAUND-TUVYINGVSA-N 391.467 4.559 30 40 GJEB C=CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccccc1 48303700 MGHIJWZYFOTPPO-UHFFFAOYSA-N 388.496 4.682 30 40 GJEB Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)S2)c1 59426790 PVNYVVCIBWNIKV-SXGWCWSVSA-N 387.848 4.757 30 40 GJEB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2cccc(F)c2)N(C)C1=O 408960285 KSAODXFQWPRPLG-JGBPVPSRSA-N 395.503 4.968 30 40 GJEB CCOC(=O)COc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1C#N 2180821 SOTVECQFMUJNFU-UHFFFAOYSA-N 392.842 4.883 30 40 GJEB CC(=O)[C@@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]12C 4027541 ZNSPUNVBZGKQFL-RQVOCDTASA-N 386.576 4.897 30 40 GJEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1cccc(O)c1O 5190778 UMLOSAJAJDNYAT-LJQANCHMSA-N 384.863 4.973 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 6241446 WWXFJEUZVSNRNR-DEDYPNTBSA-N 378.344 4.741 30 40 GJEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3CC(C)C)cc1OC 20746026 GQAUYQQKRWNSTM-HOTGVXAUSA-N 396.487 4.956 30 40 GJEB Cc1cc(NCc2ccccc2Cn2cccn2)n2c(nc3ccccc32)c1C#N 25251941 JCYQPPXBQPHHBJ-UHFFFAOYSA-N 392.466 4.525 30 40 GJEB C=CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 101324144 TZGVODVTKKPDBL-KRWDZBQOSA-N 382.489 4.569 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)cc2)cc1 102929944 BADJOIMZAFTGHM-JBCNATCCSA-N 387.435 4.518 30 40 GJEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 104085522 FDOGSICYWHIDGH-MRJHHRETSA-N 387.410 4.760 30 40 GJEB CCN1CC[C@](O)(/C=C/c2cccc(C)c2)[C@H](C(=O)/C=C\c2cccc(C)c2)C1 104317431 HZOCZWZBYRGSCV-LKPPXKMKSA-N 389.539 4.672 30 40 GJEB O=C(O)c1ccc(-c2ccc(/C=N/Nc3nc4ccccc4[nH]3)o2)cc1Cl 409037300 MSSFGJUPXHFVPE-UFFVCSGVSA-N 380.791 4.621 30 40 GJEB C#CCOc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 409053901 DJVULAPRXRVVJJ-GZTJUZNOSA-N 385.250 4.812 30 40 GJEB C=CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 409099254 KLKYAHLOGMHEQY-DHDCSXOGSA-N 375.346 4.772 30 40 GJEB COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Cl 409401892 FOKZJAMRONBXLW-UHFFFAOYSA-N 389.842 4.608 30 40 GJEB N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3C#N)c2)cc1 596700635 PDNFHFIWFYLIHP-DENIHFKCSA-N 388.471 4.536 30 40 GJEB O=C1c2ccccc2N[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1O 4618222 SJQDMMADURQZHI-KRWDZBQOSA-N 385.217 4.665 30 40 GJEB Cc1ccc2nc(SCC(=O)Nc3nc4ccccc4s3)c(C#N)cc2c1 4848890 BYNDMKONZBQQFF-UHFFFAOYSA-N 390.493 4.755 30 40 GJEB C=CCc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(OC)c1 14734758 FGSBXBOUVLFQGT-KRWDZBQOSA-N 375.468 4.833 30 40 GJEB C=CCn1c(-c2ccccc2)c(NC(=O)CC)s/c1=N\c1ccccc1OC 27015962 ZJGUBXNRGKELCZ-FCQUAONHSA-N 393.512 4.992 30 40 GJEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2-c2ccccc2)cc1 27988395 OXUCPELBTUVLEH-JLPGSUDCSA-N 398.426 4.679 30 40 GJEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C 408587778 HGSPSPYBUNMDDA-WYMPLXKRSA-N 375.428 4.713 30 40 GJEB Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1ncnc2sc(C)c(C)c12 4680517 JAYSWHDEKCYOQT-AUEPDCJTSA-N 376.489 4.557 30 40 GJEB O=C1CCCC2=C1C(c1cc(Cl)c(O)c(Cl)c1)C1=C(CCCC1=O)O2 4680662 ZCXJVVVCMBBSCI-UHFFFAOYSA-N 379.239 4.827 30 40 GJEB CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 6187403 VGAWRLKHWJBDBC-JOCHJYFZSA-N 398.462 4.536 30 40 GJEB CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 6820248 RAVZCITZOTWJBK-YJBOKZPZSA-N 395.886 4.743 30 40 GJEB CN(CCC#N)c1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 9118227 ADPYFCLSKYEEET-DTQAZKPQSA-N 377.469 4.661 30 40 GJEB COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 9476850 FAAAEQWXGFFYKZ-NDENLUEZSA-N 392.432 4.730 30 40 GJEB N#Cc1ccc(Oc2ccc3nnc(-c4ccc(Cl)cc4Cl)n3n2)cc1 13629134 XIDSZSFFMRXYSJ-UHFFFAOYSA-N 382.210 4.762 30 40 GJEB Cc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C#N)cc1 17077791 IXHRKUFRUZESTP-CVEARBPZSA-N 380.469 4.509 30 40 GJEB COc1ccc(/C(C)=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19805807 LVUPKYDVJIHAEA-MEFGMAGPSA-N 399.538 4.826 30 40 GJEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cccc2ccccc12 19959819 LXSNQWVYAFEUPA-ZMZPIMSZSA-N 398.388 4.718 30 40 GJEB CCN(CC)Cc1c(O)ccc2c1O/C(=C\c1cn(CC)c3ccccc13)C2=O 28182786 XZCIVSGPKYDNDW-XKZIYDEJSA-N 390.483 4.825 30 40 GJEB C[C@@H](Oc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1)c1ccccc1 41108635 PIJJNPNDWOKJTR-UPMNJHNBSA-N 389.524 4.825 30 40 GJEB Cc1c(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc(C#N)cc1[N+](=O)[O-] 58407795 XJXJRDZEGBDLGF-LJQANCHMSA-N 387.443 4.509 30 40 GJEB O[C@](c1cnc2ccccc2c1)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 97949507 BGUFBHDCYOVDJN-MRXNPFEDSA-N 393.233 4.729 30 40 GJEB Cc1ccsc1[C@H](C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O 100005175 CUQFERRNYYMHFF-IBGZPJMESA-N 388.529 4.916 30 40 GJEB CCCCCCCCn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21 100710646 GCVRGTCBEKGITN-UHFFFAOYSA-N 399.516 4.776 30 40 GJEB C=C(C)COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 219792619 BJNYXKMUGYXMAZ-FQEVSTJZSA-N 381.472 4.682 30 40 GJEB C=CCOC(=O)c1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 226317641 VJKURQNRWFGQGL-UHFFFAOYSA-N 388.217 4.609 30 40 GJEB O=C(/C=C/c1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H]1CO1 504215433 DJWDQGQXWBCZHE-UFSNDUKISA-N 386.447 4.939 30 40 GJEB in-vitro Cc1ccc(OCc2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1 934556 HJGDWXBSMXRWAB-UHFFFAOYSA-N 387.483 4.893 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3ccccc3CC)c(C#N)cc2c1 1354822 OFVGFRDNCCLZIO-UHFFFAOYSA-N 391.496 4.798 30 40 GJEB CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Cl)c1 4107756 BXUDAQPTOZFJOS-GRFWKSNNSA-N 387.917 4.944 30 40 GJEB CCN(CC)c1ccc(/C=C/C(=O)c2cc3cccc(OC)c3oc2=O)cc1 4598243 OTRYCYVHJOIWCN-SDNWHVSQSA-N 377.440 4.544 30 40 GJEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OC 10118760 BBIVUUSJEOZYJA-SRZZPIQSSA-N 397.700 4.634 30 40 GJEB CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(Cl)c1 33730340 XXSKPTLOVGFCKT-CTNGQTDRSA-N 384.859 4.668 30 40 GJEB CCCOc1ccc(-c2nc(C#N)c(NCCc3ccc(OC)cc3)o2)cc1 39841487 NRPAYYUAGJQSLI-UHFFFAOYSA-N 377.444 4.665 30 40 GJEB CCCCC[C@@H](/C=C\[C@@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)OC(C)=O 104132201 KURMKPDMINCWHJ-KZFZGUNASA-N 390.520 4.716 30 40 GJEB COc1cc(C)c(/C=N\c2ccc(I)c(C)c2)cc1OC 408548549 INMBLTFVIOQFNU-GRSHGNNSSA-N 395.240 4.676 30 40 GJEB N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 408596246 QPGJRIIFJPQBKF-ZVHZXABRSA-N 387.395 4.596 30 40 GJEB Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C 408775145 FGMKTHGFRUSFBR-ZSOIEALJSA-N 380.300 4.840 30 40 GJEB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 408818288 PJIRIOCORPCODA-RQZCQDPDSA-N 397.525 4.572 30 40 GJEB Cc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)o1 409300661 XZHFVJVTQOFZOO-UHFFFAOYSA-N 397.356 4.866 30 40 GJEB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 4868143 SEFSKCZQMOPZBM-HXUWFJFHSA-N 390.874 4.794 30 40 GJEB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](F)C[C@]12C 4933775 RFOAVWDSMLIUEY-OIELIUQCSA-N 394.914 4.926 30 40 GJEB CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(F)cc2)C1=O 5791207 PDIBVUAPZXPGBQ-RTEBGVHSSA-N 383.492 4.687 30 40 GJEB C=CCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 8253974 HAPFSWXTFYYXAI-UHFFFAOYSA-N 394.284 4.842 30 40 GJEB COc1cc(C#N)ccc1O[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 10750517 DFNLRMPJPCIRRW-LLVKDONJSA-N 389.333 4.776 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 20068918 IWJLAKGCKMIQHG-AUSIDOKSSA-N 387.479 4.611 30 40 GJEB COc1ccc(CN/N=C/c2ccccc2OCc2ccc(C)cc2)cc1OC 20196298 ZZOMARSTPBJUTK-WGOQTCKBSA-N 390.483 4.715 30 40 GJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(N(C)C)cc2)cc1 103808520 KNVDURYSOFVXMO-KQWNVCNZSA-N 393.512 4.612 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 409075685 ZXWFHUDISXAMSA-XDHOZWIPSA-N 399.443 4.636 30 40 GJEB Cn1c(/C(C#N)=N/Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc21 4235594 ZBOLHZFUNPJXCL-LPYMAVHISA-N 378.650 4.873 30 40 GJEB C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1ccc(OCc2ccccc2)cc1 4577530 QMBYBDDKOYARPL-ZVHZXABRSA-N 394.438 4.531 30 40 GJEB CCN(CC)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1 4880640 GYMCPIDRIIGGRT-SSDVNMTOSA-N 396.369 4.611 30 40 GJEB C/N=C(/NP(=O)(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1 5663230 ZTOOIDBXGFYZLD-UHFFFAOYSA-N 382.356 4.907 30 40 GJEB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(Br)cc1 6110363 GBBSLVFWHUHKMQ-ZROIWOOFSA-N 393.693 4.994 30 40 GJEB O=C1/C(=N\Nc2ccc3ncsc3c2)C(c2ccccc2)=NN1c1ccccc1 12603369 YWVMTOPYAHBJFX-DAFNUICNSA-N 397.463 4.515 30 40 GJEB Cc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)c(C)n1-c1ccccc1 33538137 FQTULIKWFAPTHX-OXYLHNFMSA-N 379.510 4.969 30 40 GJEB Cc1[nH]c([C@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2)nc1-c1ccccc1 95408498 DOCPBDWIYAKOHF-HXUWFJFHSA-N 385.471 4.820 30 40 GJEB COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N 1354393 OCXYQCCFBGRXSQ-UHFFFAOYSA-N 391.496 4.771 30 40 GJEB C=CCn1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 3659114 FXALTAXRJZOIOZ-WOJGMQOQSA-N 377.831 4.578 30 40 GJEB Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(Cl)cc2)cc1 9358964 OWMDBPXZHUGWRW-KKSFZXQISA-N 390.874 4.656 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C(/C=C/c2ccco2)c2ccccc2)c([N+](=O)[O-])c1 16739871 LYGXYIDJALMIKO-JZUNLKODSA-N 378.344 4.626 30 40 GJEB N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 78947396 YUGYIXSVRKEQNS-ROUUACIJSA-N 387.252 4.500 30 40 GJEB O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccccc2F)c1 408592405 MIYWIKJTQZDNOM-YDZHTSKRSA-N 380.375 4.864 30 40 GJEB O=C(C#Cc1ccc(C(F)(F)F)cc1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 1539709481 RQHZJGUELAVLTF-NHCUHLMSSA-N 381.397 4.904 30 40 GJEB C=CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 2250751 HSFIYYDETZNINY-UHFFFAOYSA-N 398.553 4.788 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccccc1C 3021538 HKYYKNQHIPRZNK-OWIKPASBSA-N 381.526 4.989 30 40 GJEB CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl 626182 VIGRZAHXRXWPDG-SFHVURJKSA-N 383.875 4.851 30 40 GJEB C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(O)c1 3042209 DBJWXMIKXXTZDU-KAXIZBKFSA-N 395.509 4.552 30 40 GJEB Cc1ccc(C)c(NC(=O)CSc2nc(C(F)(F)Cl)cc(C)c2C#N)c1 6787897 MTJRRTRVGUOQNU-UHFFFAOYSA-N 395.862 4.897 30 40 GJEB COc1ccc(-c2csc3ncnc(N/N=C(\C)c4cccnc4)c23)cc1 7786421 ZOFUBGPQTXSSED-ZMOGYAJESA-N 375.457 4.598 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 7939580 HBBUYLJBUIBANY-OUKQBFOZSA-N 379.368 4.672 30 40 GJEB CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)ccc1O 8362957 LKVRVGVLYPLTPF-NFYBBCHUSA-N 382.485 4.723 30 40 GJEB C=CCn1c(S[C@H](C)c2nnc(C)o2)nnc1-c1ccc(C(C)(C)C)cc1 48187487 QBLGRLSZBIPHCU-CYBMUJFWSA-N 383.521 4.973 30 40 GJEB O/C(CSC1=Nc2ccccc2CS1)=N\c1nnc(-c2ccccc2)o1 52463297 UVVMJTRQDVOTLW-UHFFFAOYSA-N 382.470 4.992 30 40 GJEB C=CCS[C@]1(Br)NC(c2ccccc2)=C[C@H](c2ccccc2)N1 101320959 CKKKGHIGUGHFQL-MJGOQNOKSA-N 387.346 4.887 30 40 GJEB CCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)cc1Cl 408786754 MZBSRZYWWOQYFB-BOPFTXTBSA-N 388.876 4.639 30 40 GJEB Sc1nnc(-c2ccc(Cl)cc2)n1/N=C\c1ccccc1Br 2326280 LKUUTNICTZRJDL-NVMNQCDNSA-N 393.697 4.532 30 40 GJEB CCOc1cc(OCC)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 6656370 QMWRMPFWRVNKDC-CYBMUJFWSA-N 384.501 4.794 30 40 GJEB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)c1ccc2c(c1)OCO2 7743738 QFOXLRCVHLOATG-CMDGGOBGSA-N 394.858 4.826 30 40 GJEB O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1 9110139 KWANFNOMKJTXFW-FQEVSTJZSA-N 391.373 4.748 30 40 GJEB C[C@H](NC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccc(C#N)cc1 40132966 NPLSPZYWZAIBAA-HNNXBMFYSA-N 391.471 4.876 30 40 GJEB Cc1ccccc1-n1ncc(C(=O)Nc2sc(C)c(C)c2C#N)c1C1CC1 95349489 FVWQNEKRGVOPBJ-UHFFFAOYSA-N 376.485 4.860 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)cc3)S2)cc1 408955040 VLGQQWOVQXNZGX-CPNJWEJPSA-N 382.485 4.764 30 40 GJEB O=C1C(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)c2ccccc21 409390000 BLPPJPXGXUPVEY-UHFFFAOYSA-N 385.375 4.636 30 40 GJEB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2csc3c2CCCC3)c1C#N 696124 KURBFDRVZRQUGD-UHFFFAOYSA-N 388.514 4.686 30 40 GJEB CC1=CN2C(=NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccc(F)cc2)C=C1 2050490 HMRIVVZUQRKUAU-UHFFFAOYSA-N 377.263 4.581 30 40 GJEB Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ncnn32)cc1 4520768 OSHXQSBOVXMEIY-IIBYNOLFSA-N 390.874 4.656 30 40 GJEB CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(Br)cc1 6387494 GPGSRAWZHIZRHZ-JVCXIRSZSA-N 388.261 4.691 30 40 GJEB CCO/N=C1\CC(C)(C)Cc2nc(NC(=O)c3ccc(Cl)cc3)sc21 6758030 YTRAGOBYBTZNKV-HYARGMPZSA-N 377.897 4.762 30 40 GJEB CCCc1cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)sc1C 23938119 NLPMHYWASUSIMH-HNNXBMFYSA-N 384.501 4.501 30 40 GJEB C=CCn1c(SCc2ccccc2)nnc1-c1sc2ncccc2c1N 64370129 IARYCVYBQPACGQ-UHFFFAOYSA-N 379.514 4.615 30 40 GJEB O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccccc2O)cc1 68603179 DQXGKGQBAOKYMN-OEAKJJBVSA-N 384.395 4.904 30 40 GJEB CC/N=C1\S/C(=C\c2c(OCC)ccc3ccc(OCC)cc23)C(=O)N1CC 408791347 WGZIGHKADLMZIF-DJOYVXLESA-N 398.528 4.949 30 40 GJEB COCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)S/C1=N\c1ccccc1 2141875 HWSAHUPKPVVIOT-ZZPZGLKTSA-N 378.497 4.883 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1C 2218749 RCAGQAXNMCPWTI-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB N#Cc1ccsc1NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2782466 VJFPAMYTRGLBKK-UHFFFAOYSA-N 396.321 4.600 30 40 GJEB COc1ccc(-c2ccc(/C=N/Nc3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 4839043 JUYALBXDUVJXIM-RGVLZGJSSA-N 394.412 4.919 30 40 GJEB Cc1nn(C)cc1/C=C1/C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 6527191 BCCCZZPVWYISIP-CKKCWELKSA-N 376.500 4.553 30 40 GJEB CCCCN1C(=O)/C(=N\Nc2cc(C)c3ccc(OC)cc3n2)c2ccccc21 6910355 AWLFIZWPOPDRPE-ROMGYVFFSA-N 388.471 4.515 30 40 GJEB CCOc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 12463352 QAZRRJNMWIJOBL-DIBXZPPDSA-N 397.522 4.807 30 40 GJEB CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1OCC 40089621 NRRKMPUHYDLBRF-CYBMUJFWSA-N 378.881 4.783 30 40 GJEB Cn1cc(NCc2cccc(OCc3cccc(C#N)c3)c2)c(-c2ccncc2)n1 95455349 AWRFDPPMXOKAJZ-UHFFFAOYSA-N 395.466 4.545 30 40 GJEB CCCCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C 95871043 AMIHARDZZIHHLH-UHFFFAOYSA-N 382.599 4.952 30 40 GJEB CN1C(=O)/C(=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc21 100322621 MSPRYGKLSWXGFR-LPYMAVHISA-N 388.176 4.805 30 40 GJEB O=C1C(=O)N(c2ccc(F)cc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 104091518 OZCOCDVIQBNNRD-YDJIHCHBSA-N 391.373 4.591 30 40 GJEB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C#N 225757366 IISGGICQPDCVHS-UHFFFAOYSA-N 393.443 4.706 30 40 GJEB CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C 408707436 AVWQLXBVTMMTRV-UHFFFAOYSA-N 397.357 4.953 30 40 GJEB Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853979 UXQNTOMSKWCPCG-FMCGGJTJSA-N 382.847 4.996 30 40 GJEB C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 408918899 QHZAGBQDYWPQBX-LDADJPATSA-N 383.856 4.589 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C#N)C1 997361 GBFFXYOBNNGLEE-SECBINFHSA-N 375.837 4.558 30 40 GJEB N#Cc1c(NC(=O)CO/N=C/c2ccccc2Cl)sc2c1CCCCC2 4671783 UNOGRAQTYLILIJ-SSDVNMTOSA-N 387.892 4.531 30 40 GJEB Cc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)c2ccccc2)cc1 17060700 HCYYFERPYHMTTB-SMIQVMJNSA-N 392.524 4.790 30 40 GJEB Cc1c([C@@H](C)NC(=O)c2cccc(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1 29317098 PXAKQBDAFJYMJG-CYBMUJFWSA-N 398.388 4.562 30 40 GJEB CC(C)c1ccc([C@H](NCC(=O)NC2(C#N)CCCC2)c2cccs2)cc1 57929594 SBVQKECHZWBJQG-NRFANRHFSA-N 381.545 4.503 30 40 GJEB N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N/N=C/c1ccc(Br)o1 96346314 ZXFRBUYGUBWNLL-QSQYTECQSA-N 397.232 4.619 30 40 GJEB C=CCOC(=O)c1ccc(Br)c(-c2cc3ccccc3oc2=O)c1 226357614 CNEJSTNVFPYXJT-UHFFFAOYSA-N 385.213 4.565 30 40 GJEB N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408592115 LBUKSHWAQJFOTA-SSDVNMTOSA-N 381.775 4.931 30 40 GJEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C(C)(C)C)cc1 408788137 INMSYKLQXOMZEL-FQEVSTJZSA-N 387.479 4.726 30 40 GJEB COc1ccc(/C=C2/CCC/C(=C\c3ccc(OC)cc3OC)C2=O)c(OC)c1 1234048 YEGAUAHKRMGQDR-MGYAYREDSA-N 394.467 4.941 30 40 GJEB Cc1nc2n(n1)[C@@H](c1ccccc1)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2 8559237 HYCQDGXYOKQCBJ-IERDGZPVSA-N 390.874 4.656 30 40 GJEB CCn1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cn1 20606577 GRGPFDIQHWNPSQ-NZYLZPBISA-N 390.531 4.940 30 40 GJEB Cc1cc(O)c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 20648388 SQQOTSFFQGFQNR-NDENLUEZSA-N 375.424 4.659 30 40 GJEB biogenic N#Cc1c(-c2ccc(C(F)(F)F)cc2)nc(Nc2ccc(Cl)cc2)[nH]c1=O 95921744 OYHFFCLTLBDSLH-UHFFFAOYSA-N 390.752 4.724 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 225764676 VLJJEGUIAIGDTP-UHFFFAOYSA-N 396.874 4.978 30 40 GJEB COc1cccc(C=Nn2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2=S)c1OC 254384663 DDCMCTTWNIMUCV-UHFFFAOYSA-N 396.516 4.805 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2O)C(=O)N1CC 408916567 XZBFHEZSLRFJJN-DLTWUOELSA-N 382.485 4.587 30 40 GJEB C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OC 409201851 OOKCNNAPLZCQLB-VBKFSLOCSA-N 393.892 4.587 30 40 GJEB CCOc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)c(C#N)cc2c1 907337 CXTROBRMQUNXFC-UHFFFAOYSA-N 397.887 4.889 30 40 GJEB Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1 1354434 PZAZTPCNCZGGMP-UHFFFAOYSA-N 382.514 4.527 30 40 GJEB COc1cc(/C=N/Nc2ccc(Cl)c(Cl)c2)cc(Br)c1O 4922599 KEGKSOPJBKVTON-CNHKJKLMSA-N 390.064 4.916 30 40 GJEB CCc1ccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)cc1 5551603 UWXGFNAQOZIMDQ-WJDWOHSUSA-N 387.302 4.903 30 40 GJEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1C 8370012 ARMUAPBZGCCCHE-UHFFFAOYSA-N 392.528 4.787 30 40 GJEB Cc1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 18193918 XFCFGLZAUQOOAD-HLHNIQGOSA-N 383.495 4.681 30 40 GJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1 19831743 YEGHCVNCILBLKS-RBBKRZOGSA-N 385.463 4.737 30 40 GJEB O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)NCCc1ccccc1 408801290 UULDJFMLQXXYHO-QQXSKIMKSA-N 392.886 4.828 30 40 GJEB COc1cccc(-n2c(C)cc(/C=N\Nc3ccc(C(F)(F)F)cn3)c2C)c1 409073677 HSUUNHIBNYOCBU-GATIEOLUSA-N 388.393 4.963 30 40 GJEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409101254 ATHQDOWJFGDAOH-WSDLNYQXSA-N 382.807 4.668 30 40 GJEB Cc1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)ccc1-c1ccncc1 582477916 FSVMIKCPMMIQIG-UHFFFAOYSA-N 382.345 4.595 30 40 GJEB CN1C(=O)/C(=N\N=C2/CCCc3c2[nH]c2ccc(C(C)(C)C)cc32)c2ccccc21 653286 XIJYCRLQCSIOTQ-BZUKKUDCSA-N 398.510 4.972 30 40 GJEB O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccc(Cl)c(Cl)c1 5093494 NQEXTMJHAFXTEQ-UHFFFAOYSA-N 385.048 4.524 30 40 GJEB C=CCNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419226 KWNAOUGHUONNJR-UHFFFAOYSA-N 388.876 4.734 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S 13476665 BIONRCRUWCYWSD-QGOAFFKASA-N 395.505 4.601 30 40 GJEB O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1ccco1 23605769 RVWVZRQTRRSLGS-RGVLZGJSSA-N 385.217 4.751 30 40 GJEB Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2CCCOc1ccc(C(C)(C)C)cc1 46084890 YHJKRDJQDAXXBV-GFMRDNFCSA-N 380.488 4.595 30 40 GJEB C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 219642278 SOWWQBJZSOXFNE-LJQANCHMSA-N 378.516 4.979 30 40 GJEB N#Cc1c(N)nc(SCc2ccccc2Cl)nc1Cc1cccc(F)c1 223677056 VBRHNOVPZBWOJM-UHFFFAOYSA-N 384.867 4.606 30 40 GJEB C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 224915598 JAJSSBUPFXCBHH-UHFFFAOYSA-N 397.471 4.786 30 40 GJEB CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OC 408533362 YENNVMRNCFTJRB-BOPFTXTBSA-N 388.876 4.639 30 40 GJEB C/N=C1/S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1C 408929520 KNDLVARSQAJNLA-IZSQXYTLSA-N 388.492 4.951 30 40 GJEB Cc1c(/C=N/c2ccc(Cl)c(F)c2)c(O)n2c(nc3ccccc32)c1C#N 5387172 PEMRMWLIDULSSE-YSURURNPSA-N 378.794 4.916 30 40 GJEB COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C2=O)cc1 12374179 DPIDHSLABIWVKG-XKZIYDEJSA-N 386.403 4.839 30 40 GJEB biogenic CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc([N+](=O)[O-])cc2)cc1 12464024 UXYIWZHCDKVEKE-NDENLUEZSA-N 381.461 4.696 30 40 GJEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 19315176 GRIDNRKMSBYHQS-SFHVURJKSA-N 394.298 4.913 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409064694 FHTSBWSEGSXGTL-OQLLNIDSSA-N 390.804 4.731 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OCCC)c(Br)c2)SC1=S 409329662 HFLHGYJQFZLZII-GXDHUFHOSA-N 398.347 4.625 30 40 GJEB CCCCN=C1S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CCCC 2032946152 JQYGCAWMPJWBFE-MRXNPFEDSA-N 395.956 4.569 30 40 GJEB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(SC)cc2)C1=O 2969640 BUIURRTXHXQZTL-GHRIWEEISA-N 397.521 4.952 30 40 GJEB CC1(C)[C@H]2CC=C(/C=N/n3c(S)nnc3-c3ccc(OC(F)F)cc3)[C@@H]1C2 8071512 DJOCRULSOVSQHK-UVKKNMIVSA-N 390.459 4.662 30 40 GJEB CCCN(CCC)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OCC 14543848 UCEBNMRPQLKPJN-HZHRSRAPSA-N 393.837 4.769 30 40 GJEB CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2ccccc2c1C#N 32581188 VVMRODRNXGKEBZ-BPUTZDHNSA-N 382.485 4.636 30 40 GJEB C=CCn1c(SCc2ccccc2F)nnc1-c1sc2ncccc2c1N 64370135 IKEHHJNLDNFNQV-UHFFFAOYSA-N 397.504 4.754 30 40 GJEB O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(F)cc1 102642484 XHHCATJIMFTGOB-NHFXJNLRSA-N 391.373 4.591 30 40 GJEB C#CCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cc(C)ccc21 409029717 AQDMQWCDUHUONX-MWYAZZEHSA-N 393.306 4.605 30 40 GJEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2Br)C1=O 409173665 OCUFSSNMLXCQRC-CXUHLZMHSA-N 399.269 4.557 30 40 GJEB N#C[C@@H](C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1nc2ccccc2[nH]1 2318313 OVQADOZSWCWWKQ-NSHDSACASA-N 396.815 4.829 30 40 GJEB O=C(O)c1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1Cl 4664162 MXIMHBBTDFJEHV-UHFFFAOYSA-N 378.767 4.761 30 40 GJEB O=C1Nc2ccccc2/C1=N/c1cccc(C(=O)Nc2cccc(Cl)c2)c1 5448775 WSIIAMSIIHGCPZ-UHFFFAOYSA-N 375.815 4.665 30 40 GJEB C[C@@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2C#N)C1 5528124 ZUPAGRYUMRPXJG-ZCFIWIBFSA-N 388.308 4.516 30 40 GJEB CCCCCCC/N=C\c1c(C)[nH]n(-c2c(F)c(F)c(F)c(F)c2F)c1=O 102754540 ARYPAMSCNDUFAH-OPVMPGTRSA-N 389.368 4.559 30 40 GJEB CC[N+](CC)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103630335 NCGGFISPASEJQK-UHFFFAOYSA-N 384.253 4.966 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O 223584925 RGSZQRGZAJFVCF-CCRNYGKSSA-N 382.529 4.777 30 40 GJEB C#CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 226336050 LWMIPCYDCBVSOH-CMDGGOBGSA-N 391.250 4.771 30 40 GJEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OC(C)C 408932318 VOFONERMLFSTPQ-OEAKJJBVSA-N 388.895 4.723 30 40 GJEB COC(=O)c1ccc(C)c(/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408960416 FQHXOSGERIXSTD-FSJBWODESA-N 377.396 4.799 30 40 GJEB COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br 409200030 FPYCCACDJALKMN-NGOKJDCPSA-N 397.338 4.547 30 40 GJEB O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(N2CCCC2)o1 409289592 NTOGMJJEQVQPAQ-UHFFFAOYSA-N 390.487 4.520 30 40 GJEB COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(OC)cc3)c3ccccc32)o1 409391790 JVCCOEXSVYURMZ-CFRMEGHHSA-N 388.423 4.828 30 40 GJEB COc1ccccc1COc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C#N)c1C 596810435 UNYDRUDPNZIZDW-XLIONFOSSA-N 393.487 4.787 30 40 GJEB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1/[N+]([O-])=C/c1c[nH]c2ccccc12 1436921 ARJKYBPWLMJEDR-FPJJECCMSA-N 381.526 4.740 30 40 GJEB CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2ccc(OC)cc2)C1=O 2372173 IXZMSCFYBRJETR-GIUUDRRCSA-N 395.528 4.556 30 40 GJEB C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccccc3Cl)nnc12 5277617 FIVDKOFSESNNHR-CYBMUJFWSA-N 396.903 4.737 30 40 GJEB C=CCn1c(C)nnc1SCc1cn(-c2ccccc2)nc1-c1ccccc1 7087127 GBGNJHIWHDBSHV-UHFFFAOYSA-N 387.512 4.918 30 40 GJEB CC[C@H](CNC(=O)[C@H](C)Sc1nc(C)c(C)c(C)c1C#N)c1ccccc1 7223814 HNOIZMXJHUZGGS-ZWKOTPCHSA-N 381.545 4.669 30 40 GJEB N#Cc1ccccc1CSc1nnc(Cc2ccc(Br)cc2)o1 10475620 FVIXHWAGUMDOJH-UHFFFAOYSA-N 386.274 4.587 30 40 GJEB COc1ccc(CCNc2oc(/C=C/c3ccc(F)cc3)nc2C#N)cc1OC 20446614 YBTPHPWTIRDKMT-UXBLZVDNSA-N 393.418 4.528 30 40 GJEB O=C1/C(=N\c2cc(Cl)cc(Cl)c2)c2ccccc2N1CN1CCCCC1 33766371 DUPNLDISSGFARS-NMWGTECJSA-N 388.298 4.904 30 40 GJEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2ccc(Cl)cc2)C1=O 59461622 TXRIWYDALDGWKI-XDHOZWIPSA-N 381.859 4.834 30 40 GJEB CCCCCCCCN1C(=O)/C(=C/c2ccc(OCCO)cc2)SC1=S 59608592 FSBRDAYEWPSOES-SDXDJHTJSA-N 393.574 4.619 30 40 GJEB C#CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O 223565318 XTPIHFDXOLAWBV-VUFYJBQKSA-N 382.529 4.857 30 40 GJEB C=CCc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(OC)c1O 409140696 RTLOBFVXKJOEME-LDADJPATSA-N 387.501 4.746 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 786886 WCIBKBUTSTWBGI-UHFFFAOYSA-N 377.469 4.544 30 40 GJEB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C#N)C1 994659 PTQWAUZOEMERLL-BUUCAEBMSA-N 381.457 4.695 30 40 GJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 4684716 CBWVOGVHAHVXKT-IBGZPJMESA-N 379.847 4.708 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 5006012 SWQQNMSLUKAYMK-GRSHGNNSSA-N 386.751 4.862 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1C1CCCCC1 6313075 LVPJJBYPUKXRHS-UHFFFAOYSA-N 392.475 4.521 30 40 GJEB CCOC(=O)c1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 8811442 QAXLSCDULIMVMW-ZVHZXABRSA-N 382.847 4.900 30 40 GJEB CCn1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)NC2=O)c2ccccc21 15945139 ULOYPIMMJXWPJK-XDHOZWIPSA-N 377.469 4.561 30 40 GJEB C=CCSc1nnc(-c2ccccc2NC(=O)/C=C/c2cccc(F)c2)o1 23994012 YPHBQWGKWXZSNG-ZHACJKMWSA-N 381.432 4.806 30 40 GJEB N#CCc1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 26779606 OWRCQCQBSDOFAN-UHFFFAOYSA-N 398.285 4.891 30 40 GJEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1CCOc1ccc(Cl)cc1 46084775 FOMXFEZUPFLPFA-DAFNUICNSA-N 391.858 4.582 30 40 GJEB C=CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)S/C1=N\c1cccc(O)c1 100505361 JKIYHVAPDQYVPS-FRKBGCJLSA-N 387.530 4.630 30 40 GJEB COc1ccc(/C=N\c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 101347597 CFAGABLRFKUFRN-JCMHNJIXSA-N 380.469 4.555 30 40 GJEB CCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 102488975 SXCKMXHQHGRCOG-WOOAAIBNSA-N 399.874 4.570 30 40 GJEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 408873233 PADPEAHXVAHIKM-UNOMPAQXSA-N 382.485 4.682 30 40 GJEB N#Cc1c(/N=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)sc2c1CCCC2 409063134 HPXYNEYEPXHQDR-XKZIYDEJSA-N 380.473 4.758 30 40 GJEB O=C(c1ccc(Br)cc1OC(F)(F)F)C(F)(F)C(F)(F)F 575243056 HWZBZZSMPFNEDN-UHFFFAOYSA-N 387.020 4.728 30 40 GJEB Clc1ccccc1COc1ccc(Br)cc1/C=N/c1nnc[nH]1 4511696 HXYVYWYICRZTDG-UFWORHAWSA-N 391.656 4.550 30 40 GJEB CCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccccc1 17167396 IMTCVCBAPJZNGM-NFYBBCHUSA-N 382.485 4.718 30 40 GJEB C/C(=N\NC(=S)Nc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 59436944 JZYKVMYHFXFPHO-PCLIKHOPSA-N 388.496 4.650 30 40 GJEB CCCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccccc1 408964283 QMWPKVUXUUQFOC-JEFZPDFESA-N 397.456 4.705 30 40 GJEB Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(C)c2C#N)c(C)c1 1052498 ZODQQNRUJUXYLL-UHFFFAOYSA-N 379.407 4.628 30 40 GJEB CCc1cc2c(SCC(=O)Nc3cc(Cl)ccc3C#N)ncnc2s1 2625290 NQKCKNTYBZGNGT-UHFFFAOYSA-N 388.905 4.510 30 40 GJEB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)CC1 3235818 DIWHPVAPDYWULB-UHFFFAOYSA-N 376.884 4.546 30 40 GJEB CC1=CC[C@@H](/C=N/n2c(C)nc3c([nH]c4ccc(Br)cc43)c2=O)CC1 5024360 UOLCHKZHHPRYFJ-WVISFHDSSA-N 399.292 4.529 30 40 GJEB COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1 5376427 NZZLTDLDRPQFRC-NVNXTCNLSA-N 379.268 4.894 30 40 GJEB CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 34791579 UGYCUCXQKYIACY-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCC#N 103467174 QSNQPHMCEAYBPK-UGUYLWEFSA-N 386.496 4.609 30 40 GJEB COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(C)c1 408787252 VXAYNCWSOJXMIB-YDZHTSKRSA-N 391.427 4.848 30 40 GJEB O=C1CSC(=S)N1/N=C\c1ccc(OCc2cccc3ccccc23)cc1 409333582 UMCJZNMJPUKSGW-UUYOSTAYSA-N 392.505 4.613 30 40 GJEB O=[N+]([O-])c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 5344205 PDUWDTRMJKEXJD-FRKPEAEDSA-N 384.573 4.670 30 40 GJEB O=C(O/N=C1\C(=O)N(c2ccccc2)c2ccccc21)c1cccc(Cl)c1 5483742 WSZVJSNITHQBLY-NMWGTECJSA-N 376.799 4.579 30 40 GJEB COc1ccc(OC)c(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)c1 5576961 RDAYYMRKLXORCB-BHGWPJFGSA-N 390.468 4.822 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C#N)C1 5902774 XFNUFSYSUOGLAG-LBPRGKRZSA-N 383.473 4.931 30 40 GJEB Cc1onc(-c2ccccc2)c1C(=O)N1CCCS/C1=N\c1ccccc1 12538548 DNPUOUXWIOBVCL-DQRAZIAOSA-N 377.469 4.917 30 40 GJEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccccc1Br 12907337 SJHKFCGHHFHYNC-GFCCVEGCSA-N 398.260 4.504 30 40 GJEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2n1C1CCCCC1 25057839 QXXLUPQKUDDBBY-OAQYLSRUSA-N 384.549 4.688 30 40 GJEB Cc1nc(-c2ccccc2)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N 27789281 YVMTVVHPFCZOCY-UHFFFAOYSA-N 379.872 4.952 30 40 GJEB FC(F)(F)c1cc(I)ccc1C(F)(F)C(F)(F)F 97949844 KZPPNKYCNLAWJD-UHFFFAOYSA-N 390.011 4.964 30 40 GJEB CCCCCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(F)cc1 101284777 PHYKNJWPGRMEQB-IBGZPJMESA-N 386.471 4.610 30 40 GJEB C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OC 408904178 FYOBZBNEZBRXJI-XSFVSMFZSA-N 376.456 4.629 30 40 GJEB CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1c(C)cccc1C 408914867 YHUDYPQTZRGFBR-MSYUKONTSA-N 381.457 4.836 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 872700 DHJMNCLXUZBOHZ-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB Cc1cc(N(CCC#N)CCC#N)ccc1/C=C/C(=O)Nc1cccc(Cl)c1 1626594 NIDJPUMVSVJERZ-CSKARUKUSA-N 392.890 4.934 30 40 GJEB COc1ccc(Br)cc1/C=N\n1c(C2CCCCC2)n[nH]c1=S 2339394 NHSPBIKJFCKUIC-ZDLGFXPLSA-N 395.326 4.642 30 40 GJEB COc1ccc(Br)c(/C=N/Nc2ccc(Cl)cc2Cl)c1O 5249042 HMPHFKUTBXZUJQ-CNHKJKLMSA-N 390.064 4.916 30 40 GJEB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1 5551395 MIYREIJUEBLHNP-AUWJEWJLSA-N 394.239 4.793 30 40 GJEB O=C(/C(=N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 6566647 CQZZDKAMUGQLFU-DUKMFLDQSA-N 383.407 4.966 30 40 GJEB COc1cccc(/N=C(\O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)c1 28048935 IRIQZTRUEDZVSJ-UHFFFAOYSA-N 393.443 4.814 30 40 GJEB N#C[C@@H](C(=O)c1ccc2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2s1 36270262 UTYZJPKMMKRLLJ-NSHDSACASA-N 390.342 4.534 30 40 GJEB C=C(C)COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1OC 72404640 LMJBBCUBECTPJH-QGZVFWFLSA-N 393.443 4.612 30 40 GJEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1 100414667 YEGHCVNCILBLKS-UNMCSNQZSA-N 385.463 4.737 30 40 GJEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 856112 NAODVMALTYMQBY-UHFFFAOYSA-N 384.892 4.515 30 40 GJEB CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1 1354465 CHLGFCNMEBPOCS-UHFFFAOYSA-N 389.480 4.657 30 40 GJEB C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc1OC 4691498 ZPISMYAIZSPSLV-XATRHVNRSA-N 394.496 4.802 30 40 GJEB Cc1c(/C=C2/C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)cnn1C 6527506 NZSLOBGOEKKDIY-ZPXIKZIOSA-N 376.500 4.553 30 40 GJEB N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1cccs1)N1CCCCC1 27792982 PVCRVMBUMQGTNI-HNNXBMFYSA-N 384.530 4.975 30 40 GJEB Cc1sc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(C#N)c1C 28227368 WUZDHCJIYGQEPQ-MRVPVSSYSA-N 390.818 4.613 30 40 GJEB COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)/C(=C/c3cn(C)nc3C)C[C@H]12 36005105 GMZISXRHSBJUQJ-MBNUYKHQSA-N 390.527 4.856 30 40 GJEB Cc1cc(C)cc(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1 59109375 SPJXYERMVSESNF-UHFFFAOYSA-N 382.261 4.531 30 40 GJEB C=CCSc1ccccc1C(=O)N(CC)Cc1nc(-c2cccs2)no1 219820122 KVMDNVXHDUGRBJ-UHFFFAOYSA-N 385.514 4.739 30 40 GJEB C=CCc1cc(/C=N/O)cc(OC)c1OCc1ccc(Br)cc1 253570600 NVBNMIVYMBZHPD-RGVLZGJSSA-N 376.250 4.573 30 40 GJEB COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1 408953398 PGXOEOZTSTVLRC-SPDSTVKKSA-N 389.480 4.720 30 40 GJEB Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1C 610053468 FSBPVEYZJJDDCO-UHFFFAOYSA-N 385.254 4.920 30 40 GJEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(NC(C)=O)cc1 706903 YSAUKLLRZPCWNP-LNVKXUELSA-N 379.485 4.602 30 40 GJEB N#C[C@]1(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C=CN1C(=O)c1ccccc1 707821 LRPFWRQKJHEXER-XMMPIXPASA-N 395.418 4.683 30 40 GJEB O=C1C=CC2=N[C@@]34c5ccccc5CC[C@@H]3CC3=C(c5ccccc5CC3)N4C2=C1 2336562 JXSBMYTUCHGFFX-HRFSGMKKSA-N 390.486 4.942 30 40 GJEB O=C1C=C(Nc2nc(SCc3ccccc3)n[nH]2)C[C@H](c2ccccc2)C1 4737038 FSVPXRZVBIUGQL-KRWDZBQOSA-N 376.485 4.540 30 40 GJEB O=C(/C=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 5693020 FOIYDJMKEQUFLX-ONNFQVAWSA-N 388.370 4.693 30 40 GJEB CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 6962588 KHHUMQNMLANRIY-XQNSMLJCSA-N 395.480 4.912 30 40 GJEB C[C@H]1CCc2c(sc(NC(=O)CN(C)Cc3ccc(Cl)s3)c2C#N)C1 8161196 YOSYAQQKHVMVOB-NSHDSACASA-N 393.965 4.530 30 40 GJEB CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366006 NHVGQRTZNFPVFY-BDTNDASRSA-N 381.479 4.829 30 40 GJEB CCCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCCC4 97950322 GSLHZLAGQTZDJW-UHFFFAOYSA-N 390.578 4.584 30 40 GJEB C(=N/Nc1nc2ccccc2[nH]1)\c1cn(-c2ccccc2)nc1-c1cccs1 4865024 UUAHDTLCMGOUHV-LPYMAVHISA-N 384.468 4.923 30 40 GJEB COc1cc(OC)c(OC)cc1/C=N/Nc1cc(C(F)(F)F)ccc1Cl 4921889 VHTGFSUENQCCCP-LSFURLLWSA-N 388.773 4.831 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)O)ccc1N[C@H]2c1ccccc1F 5190705 XZQAQCQZZXDLKK-FQEVSTJZSA-N 380.419 4.746 30 40 GJEB CC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccccc2C)C1=O 5791252 BIACYXKTHFWFEX-JCAVJTNVSA-N 385.920 4.893 30 40 GJEB Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(Cl)cc2)cc1 9358975 OWMDBPXZHUGWRW-IIBYNOLFSA-N 390.874 4.656 30 40 GJEB CSc1ccc(Cl)c(C(=O)NCCSCc2ccccc2C#N)c1 14183378 JWEUXNDIXUFGCN-UHFFFAOYSA-N 376.934 4.597 30 40 GJEB COc1ccccc1C(=O)Nc1c(C)cc2nc(NN=C(C)C)sc2c1C 72228916 WUPANJRDHRKQAX-UHFFFAOYSA-N 382.489 4.982 30 40 GJEB CC(=O)N(c1nc(/C=C2/COc3ccccc3C2=O)cs1)c1ccccc1F 96767430 RDPQCQNOQVGOCP-UVTDQMKNSA-N 394.427 4.626 30 40 GJEB COc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 408593044 OKEGGJDWJHBDTI-OEAKJJBVSA-N 392.411 4.733 30 40 GJEB C#CCOc1c(Br)cc(Br)cc1CNc1ccccc1 409120369 ZCFRULOVTOMYDB-UHFFFAOYSA-N 395.094 4.836 30 40 GJEB C=CCOc1cc(Cl)c(/C=C2/SC(=S)N(CC)C2=O)cc1OCC 6462999 NUROKRHBCLAFRL-OQLLNIDSSA-N 383.922 4.525 30 40 GJEB C[C@@H]1CCCN(Cc2c(O)ccc3c2O/C(=C\c2cc4ccccc4o2)C3=O)C1 20646611 AKGDYBVHNXMFTN-SRMCNWIXSA-N 389.451 4.987 30 40 GJEB biogenic CCSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](C)CC1=O)N2 22608442 OFHHMGGTIHEQBK-ORAYPTAESA-N 382.533 4.782 30 40 GJEB Cc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1[N+](=O)[O-] 100116551 OHPGUILDANIYDW-CIAFOILYSA-N 378.388 4.970 30 40 GJEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 101231676 QOLRSDIYXNEOHV-JBCNATCCSA-N 375.468 4.726 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C#N)C1 1413060 JMOKCAZNCATAPL-ZDUSSCGKSA-N 383.473 4.931 30 40 GJEB Cc1nc2c(cc1C#N)[C@H](Nc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1-2 1612285 DAHDDFCIAFXETP-HXUWFJFHSA-N 392.802 4.993 30 40 GJEB in-vivo Cc1cccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3O)nc12 4142356 LDHPLBBDPDZKBO-SSDVNMTOSA-N 389.367 4.873 30 40 GJEB COc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3o2)cc1 5004556 XAPAGMXWSVXITM-WSDLNYQXSA-N 389.367 4.868 30 40 GJEB C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1ccc(Cl)cc1 6071609 AOHQDJJHQCTWGW-UHFFFAOYSA-N 399.903 4.863 30 40 GJEB O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 6423958 SLNIRJMSLBQVHD-JOCHJYFZSA-N 383.447 4.508 30 40 GJEB C=CCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccccc1OC 6610031 RAADIMIZPCACDA-GOSISDBHSA-N 390.512 4.675 30 40 GJEB C=CCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccoc1C 6911733 DHSAICVAMXQMFZ-UHFFFAOYSA-N 378.457 4.980 30 40 GJEB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCS/C1=N\c1ccccc1 7158695 JXFABDBPVIEAHU-LPNGOHTBSA-N 396.512 4.511 30 40 GJEB C/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1ccc(Br)cc1 12602940 HBKMWJBXQURREK-JZMJZRGMSA-N 386.318 4.700 30 40 GJEB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 28853012 YIJILXZIIZSINT-CYBMUJFWSA-N 381.501 4.530 30 40 GJEB N#Cc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)cc1 36354281 FYQIDNLZJOWALV-INIZCTEOSA-N 382.345 4.886 30 40 GJEB Cc1ccc(-c2nc(N/N=C/c3ccc4nccnc4c3)nc3ccccc23)cc1 46085356 BSYYKTLXRFMFRN-JFLMPSFJSA-N 390.450 4.994 30 40 GJEB C/C(=N\OCc1ccc(C(N)=O)cc1)c1ccc(OCc2ccccc2C)cc1 96257553 MQOIDENIFYBKIH-NLRVBDNBSA-N 388.467 4.614 30 40 GJEB COc1ccc2c(c1)CCC/C2=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100061750 SWLBLCUHRMNTRB-JCMHNJIXSA-N 379.338 4.775 30 40 GJEB COc1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 408932121 UHBNVQGPVULPBU-KOEQRZSOSA-N 389.499 4.690 30 40 GJEB FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(OCc2ccccc2)cc1 409041749 JMSHZQJTJLKDFQ-MRUKODCESA-N 394.290 4.980 30 40 GJEB C#CCOc1ccc(Cl)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409104905 KXISZARCDACMCD-DHDCSXOGSA-N 377.749 4.864 30 40 GJEB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C#N)C1 994657 PTQWAUZOEMERLL-XOVSCCBYSA-N 381.457 4.695 30 40 GJEB C=C[C@H]1C[N+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12 1320126 RTHFVUKMXCJYPA-ZOJANREWSA-N 385.531 4.880 30 40 GJEB C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccc1OC 4512770 WCNWNLNCCNZMAN-UHFFFAOYSA-N 398.850 4.619 30 40 GJEB COc1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)cc1OC 5518261 YTEACULBQADDNM-BHGWPJFGSA-N 390.468 4.822 30 40 GJEB COc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(C)o1 6648921 WZRAWISBZYLDSL-UHFFFAOYSA-N 379.441 4.754 30 40 GJEB Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 9483029 PXBGOBDWUSVJAK-KSEXSDGBSA-N 386.403 4.919 30 40 GJEB Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 9485590 FZBODCMWYVBHRF-KSEXSDGBSA-N 386.403 4.919 30 40 GJEB O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1cc3c(cc1N2)OCO3 18196740 USZREKJEZCPVNQ-IBGZPJMESA-N 398.256 4.742 30 40 GJEB N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2ccc(Br)cc2)nc1N 19832471 NFRJMNSDLUGHSS-UHFFFAOYSA-N 395.216 4.540 30 40 GJEB N#Cc1ccc(C(=O)Nc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1 28221556 ZKMOJLCAKFAZJS-UHFFFAOYSA-N 384.370 4.667 30 40 GJEB CCN1c2cc(C)c(/C=N/Nc3ccc([N+](=O)[O-])cn3)cc2[C@@H](C)CC1(C)C 223572462 SBWVMWDPSKOKTE-GIEPYWIESA-N 381.480 4.856 30 40 GJEB COc1ccc(/C=C/C=C/C(=O)c2ccc(I)cc2)cc1 227173649 QVDYGDMDGWYKDN-ZUVMSYQZSA-N 390.220 4.752 30 40 GJEB COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c(OC)c1 408737580 DOLPKPGZHJSAMY-IUXPMGMMSA-N 388.876 4.557 30 40 GJEB Cc1sc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c(C#N)c1C 4849042 SBHLKWRYAKVLBE-UHFFFAOYSA-N 392.509 4.696 30 40 GJEB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 12532343 OVCASVWFASEHSC-HNNXBMFYSA-N 382.895 4.641 30 40 GJEB CCCCCn1cnnc1S[C@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 12607036 LPBATCNLJXDWFH-ZGPWBKFBSA-N 398.576 4.830 30 40 GJEB CC/N=c1\scc(-c2ccc(OC(F)F)cc2)n1/N=C/c1ccsc1 15910221 MVOATRBVCFEZJD-DQLPVQCZSA-N 379.457 4.682 30 40 GJEB CN(C)c1ccc(/C=N/c2ccc3c(c2)[C@@H](N2CCOCC2)c2ccccc2-3)cc1 17147039 BIDJESMOYAKGJB-UPJKQUEQSA-N 397.522 4.905 30 40 GJEB CN(C/C(O)=N/c1nc(-c2ccc(F)c(F)c2)cs1)Cc1ccc(F)cc1 25606336 ZEKCPTRXZXHHQV-UHFFFAOYSA-N 391.418 4.947 30 40 GJEB O=C1c2ccccc2C(=O)c2cc(/N=C/c3ccccc3Br)ccc21 102933762 LABRXRLSVCLDRC-FSJBWODESA-N 390.236 4.975 30 40 GJEB C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1 225696392 AMHZAGBXUPOBMC-KRWDZBQOSA-N 381.545 4.899 30 40 GJEB CC/N=C1/S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1CC 408931275 JKCMLELKWALWGD-TZIVZOBOSA-N 384.476 4.717 30 40 GJEB Cc1ccccc1N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 15777280 UGBXDMHPHSVYKV-UHFFFAOYSA-N 384.888 4.896 30 40 GJEB Cc1noc2c1[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 28053018 PMDPLNDBEGQSJW-QVKFZJNVSA-N 390.414 4.786 30 40 GJEB C=CCc1cccc(/C=N/c2nc3ccccc3n2CCN2CCCCC2)c1O 722100 CQNFWUZKFZGQNU-XIEYBQDHSA-N 388.515 4.707 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC 3765779 HDEFMILELXISSY-QGOAFFKASA-N 389.542 4.794 30 40 GJEB CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N/c1ccccc1 4664262 GDISADVQWLQKPL-KIOXBDSISA-N 382.485 4.718 30 40 GJEB COc1cc(OC)c(OC)cc1/C=N/N(Cc1ccccc1)c1ccccc1 4919726 HLNYADMFDIOSPU-LFVJCYFKSA-N 376.456 4.753 30 40 GJEB O=c1c(/C=N/C2CCCC2)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 5387584 JCLYOHSDGGNPBE-OEAKJJBVSA-N 388.496 4.804 30 40 GJEB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/Nc1cccc([N+](=O)[O-])c1 5865471 UYEPQXDGZLBFGX-KEBDBYFISA-N 390.230 4.842 30 40 GJEB C(=N/Nc1nc2ccccc2s1)\c1cn(-c2ccccc2)nc1-c1cccnc1 7737350 GTSVGQLHCCRFSG-ZVHZXABRSA-N 396.479 4.990 30 40 GJEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 9577306 DMWWEKPFPYFCHR-OFNOZLENSA-N 380.440 4.757 30 40 GJEB COc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1OC(F)F 12872835 OOGXZXQYPFMNBD-UHFFFAOYSA-N 393.389 4.949 30 40 GJEB Cc1ccc(N2C(=O)C[C@H](c3ccccc3OCc3ccccc3)[C@@H]2C#N)cc1 26896061 QXGRSOFDQNGMTF-PKTZIBPZSA-N 382.463 4.987 30 40 GJEB COc1ccc(/C=N\OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 35407354 QLKQJSBMLZOUQY-CFRMEGHHSA-N 398.503 4.940 30 40 GJEB Cc1ccc(Cc2nc(SCc3ccccc3Cl)nc(N)c2C#N)cc1 223672630 QDDCDBXSCXBOHB-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409064117 BRXIYHFMGUEVDW-OQLLNIDSSA-N 390.804 4.731 30 40 GJEB C#C[C@H](NC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C(C)C 1671597597 XVJAASQNXFAAQP-HNNXBMFYSA-N 382.316 4.820 30 40 GJEB O=C(ONC(=O)c1sc2cc(F)ccc2c1Cl)c1ccccc1Cl 3225964 RILHKEJWHORSMM-UHFFFAOYSA-N 384.215 4.849 30 40 GJEB COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)ccc1OC(C)C 4658815 HPCNEGGQZURJEY-XDHOZWIPSA-N 382.485 4.682 30 40 GJEB CCCCOc1ccc(/C=C2\C(=O)ON=C2c2cc(Cl)ccc2OC)cc1 5707761 NPXPMIMJYDABSN-PDGQHHTCSA-N 385.847 4.872 30 40 GJEB Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3F)n2C2CC2)cc1 7427768 PENBVNGXQPXUTF-QGZVFWFLSA-N 378.476 4.955 30 40 GJEB Cc1nnc(Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)c(C#N)c1C 12944973 XBBKKWBHHYKQHS-UHFFFAOYSA-N 383.407 4.839 30 40 GJEB O=C(Cc1ccc(Cl)c(Cl)c1)NCC#Cc1cccc(C(F)(F)F)c1 24506726 RJBRQOFLAIRRQY-UHFFFAOYSA-N 386.200 4.723 30 40 GJEB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCc3onc(-c4cccc(F)c4)c3C1)C2 100773804 LRGFJVHGWRQMCM-MWTRTKDXSA-N 380.463 4.748 30 40 GJEB CN(C)c1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCS2)cc1 1083124 SQJILLKFLCAOBV-JLHYYAGUSA-N 395.549 4.909 30 40 GJEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 4070812 FENIHPCSUNEWBZ-UHFFFAOYSA-N 390.287 4.758 30 40 GJEB CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 6820270 PNLMIGUTVCVJJF-MAUKXSAKSA-N 395.886 4.743 30 40 GJEB O=[N+]([O-])c1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)cc1 8811320 WEDKPCSOMJATJG-YDZHTSKRSA-N 395.846 4.951 30 40 GJEB COc1cc2ccccc2cc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 12757103 DMEVYELMKRSYNJ-UHFFFAOYSA-N 383.369 4.649 30 40 GJEB Cc1ccc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3c(C)noc3n2)s1 12780937 YWWXEEQMXZQCPF-UHFFFAOYSA-N 388.452 4.887 30 40 GJEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC=C(C)C)ccc2C1=O 12858666 WIGXNVXWALRMQR-JJFYIABZSA-N 396.439 4.674 30 40 GJEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1cccc(Cl)c1Cl 18195599 IGFQVAWZFUOCRQ-LBPRGKRZSA-N 378.259 4.623 30 40 GJEB C=CCc1cc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 30135416 YDTGWJPGFRCIRL-UHFFFAOYSA-N 383.532 4.721 30 40 GJEB Cc1cc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccccc3C)N(C)C2=O)c(C)c1 101651195 MDFCMRHYWBXYAS-KGNHYALCSA-N 395.528 4.510 30 40 GJEB C=CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 225688179 BYHCJCMXPNHMMZ-IBGZPJMESA-N 398.528 4.849 30 40 GJEB Cc1cc(N=C2NC(=O)/C(=C/c3ccco3)S2)cc(C)c1Br 408764261 LWRSFMYWMYIJOP-JYRVWZFOSA-N 377.263 4.551 30 40 GJEB CCCN1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1ccccc1 408907909 QDYWERZKCYLXAA-HZMNMXHTSA-N 377.469 4.603 30 40 GJEB Cc1cc(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc12 2725801 FYUHSKFLMOMOBQ-UHFFFAOYSA-N 379.460 4.721 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21 4485605 SZULLYHFYGXSGI-OAHLLOKOSA-N 379.485 4.544 30 40 GJEB C=CCn1cnnc1S[C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 6589841 BJTFDOZQUFHFFQ-LJQANCHMSA-N 378.501 4.553 30 40 GJEB CCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC 19972694 HZJQMEDJMZMTSW-UHFFFAOYSA-N 395.499 4.575 30 40 GJEB N#Cc1ccc2c(Cl)c(S(=O)(=O)c3cc(Cl)cc(Cl)c3)cnc2c1 98212451 UVNAVZOORTXGCA-UHFFFAOYSA-N 397.670 4.899 30 40 GJEB C=CCOc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219463556 QJYYUUYFZRCZCS-UHFFFAOYSA-N 386.451 4.784 30 40 GJEB N#Cc1c(/N=C/c2ccc(I)s2)sc2c1CCC2 712093 NBFUDOAFKPNMST-FRKPEAEDSA-N 384.267 4.525 30 40 GJEB Cc1ccc(S(=O)(=O)OC[C@@]2(F)CC2(c2ccccc2)c2ccccc2)cc1 1609800 FANRTTXMABLJAG-QFIPXVFZSA-N 396.483 4.799 30 40 GJEB N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 2454897 GVNPVGDUOGARBP-UHFFFAOYSA-N 384.258 4.697 30 40 GJEB COc1ccc(-c2csc(/C(C#N)=N\Nc3ccc(C)cc3C)n2)cc1OC 4175519 VXINRKUPFGWNJA-UQQQWYQISA-N 392.484 4.784 30 40 GJEB COc1cccc(-c2csc(/C(C#N)=N/Nc3cc(Cl)ccc3OC)n2)c1 4175556 XZSCCEMBPOMDGS-LFVJCYFKSA-N 398.875 4.820 30 40 GJEB Cc1ccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)cc1C 4797381 APYGDZJOOZZCRM-OWIKPASBSA-N 381.526 4.907 30 40 GJEB O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)c1ccc(Cl)cc1 5176179 CHLLOBOFRBVUGX-ODLFYWEKSA-N 377.783 4.570 30 40 GJEB O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 9110549 ZCUCYXVNEXZKSD-IBGZPJMESA-N 393.826 4.712 30 40 GJEB C=CCOc1c(Br)cc(C(=S)N2CCCCC2)cc1OCC 33606039 CJNWLAMNEDFGIC-UHFFFAOYSA-N 384.339 4.574 30 40 GJEB COc1ccc(C(C)(C)C)cc1/N=C1\SCC(=O)N1CCc1ccccc1 36611296 KIDKCYZTLDHULC-LNVKXUELSA-N 382.529 4.798 30 40 GJEB N#Cc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)c(C(F)(F)F)c1 40110800 QZAINSAPECYMOT-UHFFFAOYSA-N 393.415 4.938 30 40 GJEB C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1ccsc1 59514389 HICBDWUZHVGGGT-FYJGNVAPSA-N 387.472 4.866 30 40 GJEB CCCCCOc1ccc(C2=NOC(=O)/C2=C\c2cc(Cl)ccc2O)cc1 100245466 ITVWHWYDSFMVAQ-AQTBWJFISA-N 385.847 4.959 30 40 GJEB biogenic,in-vitro CCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 408909467 ULTJEHXNRLUAMT-KDWIEBRMSA-N 397.456 4.536 30 40 GJEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC(C)C 409073650 HNMRITMZHWETAV-LSHDLFTRSA-N 397.353 4.855 30 40 GJEB CCCCCCCNC(=O)c1c(N)n(CCCC)c2nc3ccccc3nc12 2396139 UOMVGASQTXYNQP-UHFFFAOYSA-N 381.524 4.667 30 40 GJEB O=C1C(=CNc2ccc(-n3cnc(Cl)c3Cl)cc2)C(=O)c2ccccc21 2549834 WVFVSIFNWWJSBD-UHFFFAOYSA-N 384.222 4.554 30 40 GJEB C[C@H]1CCc2c(sc3nc(S[C@H](C)C#N)n(-c4ccccc4F)c(=O)c23)C1 4241965 ITEIDPMMQAHMQV-NWDGAFQWSA-N 399.516 4.715 30 40 GJEB CCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 4906332 OYEFPWLLQYSPRV-MWDTWODRSA-N 385.920 4.974 30 40 GJEB CN1CCc2c(sc(/N=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c2C#N)C1 8091804 ZYSFJTVMDPLHTF-IFRROFPPSA-N 395.271 4.573 30 40 GJEB CN(C)c1ccc([C@H](CNc2ncccc2C#N)c2c[nH]c3ccccc23)cc1 12552860 FIQKERYVENSXEY-NRFANRHFSA-N 381.483 4.745 30 40 GJEB N#Cc1c(COC(=O)c2cc(Br)ccc2Cl)cn2ccccc12 14858132 OWKIWWOIHJSHDF-UHFFFAOYSA-N 389.636 4.584 30 40 GJEB COc1ccccc1NC(=O)CO/N=C(\C)c1ccc(-c2ccc(F)cc2)s1 32935600 GMGOSBZPRMTDBP-ZVHZXABRSA-N 398.459 4.942 30 40 GJEB CCn1nc(C)c2c(C(=O)Nc3ccccc3C#N)cc(-c3ccc(C)cc3)nc21 36613367 FPLDPRPFVPSIPC-UHFFFAOYSA-N 395.466 4.859 30 40 GJEB CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(C(C)C)cc(Br)c1O2 40546402 WIZJLIRVXSJYQT-SFHVURJKSA-N 378.266 4.870 30 40 GJEB N#CC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc2)CC1 225904616 ORCOOYRJOHJAPF-GOSISDBHSA-N 393.918 4.746 30 40 GJEB COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1I 842998 DMXZLCALPHAIHL-DHDCSXOGSA-N 394.233 4.629 30 40 GJEB Oc1ccc(Br)cc1/C=N/c1ccc2nn(-c3ccccc3)nc2c1 973232 AECYBXSBLFOOLX-CIAFOILYSA-N 393.244 4.639 30 40 GJEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2ccc2ncccc32)cc1OC 1078351 RSGJYTJHAFOXTP-JOCHJYFZSA-N 386.451 4.817 30 40 GJEB C=CCn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 6947851 ZYVQIEILZFGYIH-UNOMPAQXSA-N 391.858 4.574 30 40 GJEB N#Cc1cc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)ccc1Cl 12770028 KMVRVBUGQSXHEK-HXUWFJFHSA-N 381.888 4.591 30 40 GJEB COc1cc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)cc(OC)c1OC 12862102 MNDDRLXFXYXIRC-GRSHGNNSSA-N 396.439 4.674 30 40 GJEB biogenic COc1ccc([C@H]2CCCCCN2[C@@H](C)C(=O)Nc2sccc2C#N)cc1 25053995 BEVUJTQTVZTCHY-HNAYVOBHSA-N 383.517 4.573 30 40 GJEB C=CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408557464 NTMGXWRGXDOALW-IBGZPJMESA-N 375.877 4.692 30 40 GJEB Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408954473 XANJAYYHEDAMDX-FMCGGJTJSA-N 382.847 4.996 30 40 GJEB CCc1ccc(C(=O)/C=C/Nc2ccc(I)cc2)cc1 4663624 IZRRHPMCEGFKPG-VAWYXSNFSA-N 377.225 4.662 30 40 GJEB Oc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(F)cc2)cs1 5864241 HMRRPTSETDWVTF-UFWORHAWSA-N 392.253 4.863 30 40 GJEB CCOc1cc(/C=C/C(=O)c2ccc(OC)c(Br)c2)ccc1OC 7717731 BCLRDNNQJRLMQX-VMPITWQZSA-N 391.261 4.761 30 40 GJEB CC(C)[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 12905096 RZDNEQNBGYTUHE-IBGZPJMESA-N 376.287 4.790 30 40 GJEB O=C1CCCC2=C1[C@H](c1ccccc1C(F)(F)F)c1cc3c(cc1N2)OCO3 18196766 JJIILSFUQZCACL-LJQANCHMSA-N 387.357 4.999 30 40 GJEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2cccc3ccccc23)cc1 20060646 MZRUQVRWIOKBDP-BUVRLJJBSA-N 387.464 4.786 30 40 GJEB C=CCn1c(SCc2csc(CC)n2)nc2ccc(Cl)cc2c1=O 22054955 GDHRULVMKGTJJN-UHFFFAOYSA-N 377.922 4.547 30 40 GJEB O=C(/C=C/Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 33741167 OJYKPVHBTFIPEE-CCEZHUSRSA-N 384.479 4.999 30 40 GJEB COc1ccc(C(=O)/C(=C/Nc2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1 100862307 CLRVXUQSKXEIMJ-GDNBJRDFSA-N 383.753 4.659 30 40 GJEB C=CCOc1cccc(NC(=S)NCCCSc2ccc(OC)cc2)c1 225803746 XLTFPSWHVFHOEO-UHFFFAOYSA-N 388.558 4.729 30 40 GJEB CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC 408593833 RONKJUSEYGQYFV-RGVLZGJSSA-N 378.812 4.596 30 40 GJEB CC/N=C1/S/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C(=O)N1CC 408930825 COMQJBZDGDNTKC-XKOOYEHJSA-N 396.940 4.838 30 40 GJEB CCCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC 409078177 GWBBXVJGENSZEL-WJDWOHSUSA-N 385.847 4.872 30 40 GJEB Cc1ccc(C[C@@H]2S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 409149852 SMEAOIQBQRCFCH-FVOSJULTSA-N 378.419 4.818 30 40 GJEB CC(C)(C)c1ccc(/C=N/OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 3322799 ZYDSQADDGQJCHC-BHGWPJFGSA-N 393.314 4.958 30 40 GJEB C=CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546567 ACAZZLVHUVINIS-QGZVFWFLSA-N 379.847 4.769 30 40 GJEB CCc1ccc2c(c1)[C@@H](CC/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)N2 102001184 LPCOTDLZANNPKG-SZMVHAFZSA-N 392.890 4.837 30 40 GJEB OCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F 103015054 BWMXVEIMUXVSEX-UHFFFAOYSA-N 378.128 4.703 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(F)c1 408621987 OKCPWPDADVWXMM-UHFFFAOYSA-N 378.790 4.834 30 40 GJEB COc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O 408858150 MWTJHOOSRXBVCV-YVLHZVERSA-N 388.876 4.557 30 40 GJEB N#Cc1c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)sc2c1CCCC2 1100153 FNMZRZRQDGIDTN-DJKKODMXSA-N 390.262 4.920 30 40 GJEB Cc1cccc(NC(=O)COc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1 2972773 LRPRJEFNXFIFAF-UHFFFAOYSA-N 381.247 4.588 30 40 GJEB COc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 5329727 YLBVODVZACGUFZ-YFHOEESVSA-N 388.419 4.899 30 40 GJEB CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 6386250 MGVRJOWRGIFZDX-AWQFTUOYSA-N 396.299 4.673 30 40 GJEB COc1ccc2ccccc2c1/C=N/O[C@@H](C)C(=O)NCc1ccc(Cl)cc1 15390805 VHOUFXIFKJUQBJ-CAUYNWHBSA-N 396.874 4.557 30 40 GJEB C/C(=N\Nc1cn[nH]c(=O)c1Cl)c1ccc(-c2ccccc2Cl)s1 41700343 DKWINCWLJYLANN-AWQFTUOYSA-N 379.272 4.641 30 40 GJEB CCOc1ccc(/C=N/c2ccc(F)cc2F)cc1I 408904904 QFYHLNNXVSMMLB-DJKKODMXSA-N 387.167 4.719 30 40 GJEB Cc1ccccc1/C=N\n1c(C(C)(C)C)nc2ccc(Br)cc2c1=O 1531092115 WTAJNXYYHFMXLS-UUYOSTAYSA-N 398.304 4.647 30 40 GJEB C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 985752 QIYSXTQYYRTDJY-UHFFFAOYSA-N 398.553 4.967 30 40 GJEB Cc1ccc(-n2c(SCCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 3290487 GVWGJGGYVXUKDP-UHFFFAOYSA-N 381.526 4.640 30 40 GJEB C=CCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc21 4485672 XKGPZOYQPHMJQW-CABCVRRESA-N 383.492 4.719 30 40 GJEB CCOC(=O)c1sc(N)c(C#N)c1CSc1cccc(C(F)(F)F)c1 7910573 UEDSVLIOWWZTAV-UHFFFAOYSA-N 386.420 4.690 30 40 GJEB CCOc1ccc(/C=C2\Oc3cc(OC(=O)N(CC)CC)ccc3C2=O)cc1 9530494 MMUODQMYKKFGSN-MOSHPQCFSA-N 381.428 4.542 30 40 GJEB C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)C1 12418848 SABUFLNQWUCUQM-HZPDHXFCSA-N 377.444 4.868 30 40 GJEB Cc1sc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C#N)c1C 14596017 KRGKXQDQRQDACM-UHFFFAOYSA-N 398.488 4.633 30 40 GJEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2nc(-c3ccco3)no2)n1 29739721 CJZRJEMAXISJGF-VIFPVBQESA-N 380.351 4.777 30 40 GJEB CCCCOC(=O)c1ccc(/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 59679610 HUVRERWXYXYZPN-WSDLNYQXSA-N 389.835 4.511 30 40 GJEB CCOC(=O)C1=C(C)Nc2ccccc2N=C1/N=C(\O)c1cc2c(s1)CCC2 84792475 RDRULCCRBUIWRD-UHFFFAOYSA-N 395.484 4.534 30 40 GJEB Cc1ccccc1CSc1nc(N)c(C#N)c(Cc2ccccc2Cl)n1 223666916 ZFZKOYKWIUQXFF-UHFFFAOYSA-N 380.904 4.775 30 40 GJEB C=CCc1cc(/C=N\c2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)O 408857154 NGHINADCCIZHGI-YVNNLAQVSA-N 394.254 4.945 30 40 GJEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3onc(C(C)(C)C)c32)ccc1O 20723406 IVUZPQRJURWEGM-QGZVFWFLSA-N 396.487 4.887 30 40 GJEB CCOC(=O)c1c(C)oc2c1/C(=C/Nc1ncccc1C)C(=O)c1ccccc1-2 100752543 DASZLDJKUVRYRL-ATVHPVEESA-N 388.423 4.784 30 40 GJEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(Cl)cc1 102569090 MERQXSPVDVQJSL-LFVOPCPISA-N 393.826 4.555 30 40 GJEB O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cc(Br)cs1 408966125 MXJVZZZUZZPSOG-WUXMJOGZSA-N 383.267 4.541 30 40 GJEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C1=O 409067177 BTZYICHSLXKXPI-HGLKBHAMSA-N 381.881 4.748 30 40 GJEB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1C 409122011 ZQRZIYHCZKTDJQ-SSDVNMTOSA-N 399.838 4.505 30 40 GJEB CCCCCCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCCCCCCC 1857794025 WROZWUBSDJZQOV-WOJBJXKFSA-N 396.620 4.837 30 40 GJEB C=CCOc1ccccc1/C=C1\N=C(c2cc(F)c(F)cc2Cl)OC1=O 2080966 PPOFZAFXXTWXBI-PXNMLYILSA-N 375.758 4.528 30 40 GJEB CCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3sc(C#N)c(N)c32)cc1 4402433 ULEOIBMVJSRCBU-SFHVURJKSA-N 381.501 4.801 30 40 GJEB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC#N)cc1)N2 8092240 OCWFWPVWWMHIHI-GUXCAODWSA-N 394.858 4.855 30 40 GJEB N#Cc1ccc(OCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)cc1 8291236 XYOLBTNUXQPWAA-NRFANRHFSA-N 386.476 4.817 30 40 GJEB C[C@@H](Sc1ncc(-c2ccccc2)n1C1CC1)C(=O)Nc1ccccc1C#N 8708958 NDSQYKANXLVMEC-OAHLLOKOSA-N 388.496 4.876 30 40 GJEB CC(=O)N(c1nc(COc2ccc(C#N)cc2)cs1)c1cccc(C)c1C 12986968 MYHVQLUDJCSLCP-UHFFFAOYSA-N 377.469 4.895 30 40 GJEB Cc1ccc(C)c(/N=C/c2cccc(I)c2)cnsn1 16137368 QBKHOISEVPUJMJ-OAPIXRNOSA-N 395.269 4.635 30 40 GJEB FC(F)(F)c1ccccc1/C=N\N1CCN(Cc2ccccc2Cl)CC1 19419392 RKVOPXLPFFUWDS-CFRMEGHHSA-N 381.829 4.511 30 40 GJEB CCOc1ccc(/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 100242754 KQVCSAPMBUELPI-XQNSMLJCSA-N 394.496 4.945 30 40 GJEB Cc1cc(/C=N/n2cnnc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408851753 FUWNYIFVHFPCGV-LIMNOBDPSA-N 375.259 4.663 30 40 GJEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(C)C 408894776 FVUUAWDWKBHFLQ-UHFFFAOYSA-N 382.456 4.610 30 40 GJEB C=CCOc1c(CC=C)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC 409013015 SHBPIZNOOZURLF-QFGUUYLXSA-N 387.501 4.823 30 40 GJEB CCCC/N=C1\S/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1CCCC 5214619 UZQPKMDTAVJIPS-PTPABZONSA-N 376.522 4.576 30 40 GJEB C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(I)cc1 5443832 LQKUHMVHORVDIN-ZHACJKMWSA-N 381.188 4.629 30 40 GJEB C=CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc(-c2ccccc2)cs1 6453611 VQDVXRISHFCDHN-UHFFFAOYSA-N 380.469 4.660 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 13282396 ARJFWERBHKXKBD-QFIPXVFZSA-N 390.458 4.741 30 40 GJEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(-c3ccccc3)nc(=O)c1[C@@H]2c1ccccc1 44974089 RLGMLJGIRZZTJT-LJQANCHMSA-N 397.478 4.638 30 40 GJEB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(C#N)c3)c3c(C)noc3n2)cc1 610363896 OPJNFFAIMYZKMZ-HNNXBMFYSA-N 396.450 4.869 30 40 GJEB C=C(C)COc1cc2occ(-c3ccc4c(c3)OCCO4)c(=O)c2cc1CC 728041 DHTLETHWJOERGG-UHFFFAOYSA-N 378.424 4.749 30 40 GJEB biogenic N#Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCCC2 2741976 IUFSKOCOEHYYQS-UHFFFAOYSA-N 386.345 4.836 30 40 GJEB CC(C)/N=C1\S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1C(C)C 4746581 SLNJCYBENSICPY-ZSMCLDEPSA-N 398.484 4.734 30 40 GJEB CCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccccc2)C1=O 4906323 OYEFPWLLQYSPRV-CRFHEJAGSA-N 385.920 4.974 30 40 GJEB C[C@H](OC(=O)c1ccccc1CCc1ccccc1)C(=O)Nc1ccccc1C#N 20993839 IXXCGFOLASUQSU-SFHVURJKSA-N 398.462 4.527 30 40 GJEB COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccccc1 48572058 RAZMNHJCNKRXKI-HZHRSRAPSA-N 391.496 4.595 30 40 GJEB C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])s1 83812549 HXOABCPYNIAJJA-HXUWFJFHSA-N 389.436 4.523 30 40 GJEB C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929921 FPQBODBPYVBNMU-JNFBOQJPSA-N 398.543 4.816 30 40 GJEB C=CCc1cc(/C=N\O)cc(OC)c1OCc1ccc(Br)cc1 226364279 NVBNMIVYMBZHPD-JAIQZWGSSA-N 376.250 4.573 30 40 GJEB CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C)cc1 408940339 NVMAFRBGUQWISE-LICLKQGHSA-N 386.245 4.653 30 40 GJEB N#CCCN(C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1 3285537 ISPNJMAAWSFXDC-UHFFFAOYSA-N 399.450 4.534 30 40 GJEB C#CCOc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1OC 5393861 ATRUTHKWCHMZRO-UHFFFAOYSA-N 384.479 4.733 30 40 GJEB CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 20068916 IWJLAKGCKMIQHG-CVDCTZTESA-N 387.479 4.611 30 40 GJEB O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/Nc2ccccc2)c1O 36046200 XJXHYBUPRZQGAY-LPYMAVHISA-N 381.819 4.991 30 40 GJEB O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccccc1 102863561 GKDOMYIDFOUISZ-LFVOPCPISA-N 393.826 4.555 30 40 GJEB N#Cc1ccc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 199422771 OWAAIBAKNCONNV-UHFFFAOYSA-N 385.423 4.708 30 40 GJEB Cc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)cc1[N+](=O)[O-] 408913189 TZHZYNFOIXEDBY-MTJSOVHGSA-N 393.403 4.665 30 40 GJEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccn1)n1c(nc3ccccc31)N2 7496103 UOXMEDQXGVLLKT-OSPHWJPCSA-N 392.462 4.847 30 40 GJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2C[C@@H](C)C[C@H](C)C2)C1=O 9476763 HJDUMLWRGSDYTN-KEHVOCCWSA-N 383.513 4.856 30 40 GJEB biogenic C[C@H](SCc1ccc(C(=O)O)cc1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 12591640 LAUSTXLAQXECAY-PCXKXAPESA-N 395.524 4.887 30 40 GJEB C[C@H]1CN(c2ccc(/C=N/OCc3c(Cl)cccc3Cl)cn2)C[C@H](C)O1 12857894 QUTPPJLYKRWFEZ-YXQIRADPSA-N 394.302 4.553 30 40 GJEB N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1ccccc1Cl)N1CCCC1 35672647 ZCFBOAFESWWNSR-IBGZPJMESA-N 393.878 4.511 30 40 GJEB COc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(C(F)(F)F)c3)S2)cc1 96483462 WBXWDUBVEPYGRB-GDNBJRDFSA-N 378.375 4.606 30 40 GJEB COc1cc(Cl)c(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC 408888416 VGGONEAZZWCCDG-MFOYZWKCSA-N 388.876 4.557 30 40 GJEB N#Cc1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)sc2c1CCCC2 800728 VPEISSXJNDORBD-UHFFFAOYSA-N 396.903 4.649 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N 1354391 ZTOCIWRPDJVDDC-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB N#Cc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 4691025 QECHKGHIFBQZON-SXGWCWSVSA-N 399.269 4.557 30 40 GJEB O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 5600703 OGTXUAPVOACWND-LDADJPATSA-N 391.408 4.746 30 40 GJEB C/C(=N/Nc1nn2cnnc2c2ccccc12)c1ccc(-c2ccccc2)cc1 6780337 XVNNCZRDWJLGAR-XYGWBWBKSA-N 378.439 4.781 30 40 GJEB Cc1nc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)c(C#N)c(C)c1C 8403493 SVMSKFRXAWLUGV-FQEVSTJZSA-N 379.529 4.507 30 40 GJEB CCOc1ccc(/C=C2/CN(CC)C/C(=C/c3ccc(OCC)cc3)C2=O)cc1 33305352 HPADWTBMLJTJPT-BMJUYKDLSA-N 391.511 4.856 30 40 GJEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)[C@@H](/C(C)=N/O)CC[C@H]4[C@H]3CC[C@@H]2C1 253497794 BSLCVENCLGLBCE-GBHSANNZSA-N 389.536 4.606 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C/c3ccc4c5c(cccc35)CC4)S2)cc1 408757416 ZTFLHDMUOSLGLS-MOSHPQCFSA-N 386.476 4.839 30 40 GJEB CC[C@@H](C)Oc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC 409041985 WQZOJVVQTBDUJQ-YCNYYIKXSA-N 390.299 4.586 30 40 GJEB C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OC 409071824 PULHUJZAEQCLCP-PTNGSMBKSA-N 381.881 4.750 30 40 GJEB O=[N+]([O-])c1cccnc1N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409093809 AHJQSNBZTVDTDL-WYMPLXKRSA-N 389.390 4.578 30 40 GJEB COc1ccccc1N1C(=O)CC[C@@]1(C#N)c1ccccc1OCc1ccccc1 2367012 IGTHGVGCMCDJFY-RUZDIDTESA-N 398.462 4.820 30 40 GJEB COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 7939555 BQRRLWSGRBPKOJ-DHZHZOJOSA-N 379.368 4.768 30 40 GJEB CC(C)c1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 17207683 ZDZBEBNURYAUHR-UHFFFAOYSA-O 394.926 4.804 30 40 GJEB C=CCc1ccc(OCC(=O)N(C)Cc2ccc3ccccc3c2)c(OC)c1 32498555 VKOMQSXCWQGYDX-UHFFFAOYSA-N 375.468 4.614 30 40 GJEB CCCCCCCCCCCCS(=O)(=O)N/N=C(\C)c1cccc(O)c1 59608730 PNZWKEFJBAROSB-DYTRJAOYSA-N 382.570 4.957 30 40 GJEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2)cc1 104132048 KWTMBYDAPOOIPX-AYWGPLOBSA-N 397.474 4.659 30 40 GJEB C=CCc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1OC 224047200 ZBICEPJFZHBELD-UHFFFAOYSA-N 397.525 4.820 30 40 GJEB Cc1cncc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)c1 585293885 BMAKYGGEUZUZPB-IBGZPJMESA-N 390.516 4.584 30 40 GJEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1OC 1440580 ZDGBSHMXMSFNAV-JOCHJYFZSA-N 386.451 4.817 30 40 GJEB COCCN1C(=O)/C(=C/c2ccc(Cl)s2)S/C1=N\c1ccccc1 2141921 WRXCBMKEHCJSLJ-ZDFMDHJUSA-N 378.906 4.652 30 40 GJEB N#Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 9647844 GZKOTHJSTCICAR-UHFFFAOYSA-N 384.464 4.784 30 40 GJEB C=C1[C@@H](C(=O)Nc2c(C)cccc2CC)[C@H]1C(=O)Nc1c(C)cccc1CC 13424044 QCGXXYLFUGPRCZ-BGYRXZFFSA-N 376.500 4.808 30 40 GJEB O=C(/C=C\Sc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1 16400643 ZZJWHXCDBSDRLP-VURMDHGXSA-N 389.196 4.747 30 40 GJEB Cc1cc(C)cc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 32984105 MIZGEVBGVFHXRD-UHFFFAOYSA-N 389.476 4.953 30 40 GJEB N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NC[C@H]1CCCO1 33324446 MBJGYQBDYGTLAL-CYBMUJFWSA-N 399.834 4.630 30 40 GJEB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)c2ccccc2C1=O 59490085 QPQVMNLYEWKRSS-INIZCTEOSA-N 390.439 4.826 30 40 GJEB COc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 102417339 YQTVPOHPZRYHFW-SRZZPIQSSA-N 399.790 4.853 30 40 GJEB C=CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1OC 408570398 LITKFDFKEZZGDT-INIZCTEOSA-N 386.835 4.803 30 40 GJEB C=CCOc1cccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1 409329666 HIAVKXGOMWLGEY-XMHGGMMESA-N 396.537 4.723 30 40 GJEB N#C[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 1127854168 NDUPEPUXMUSGMT-SQNIBIBYSA-N 376.353 4.719 30 40 GJEB Cc1ccc(Oc2ccc(/C=N/OC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 1393368 VIYMXIDQKXCNHY-HYARGMPZSA-N 376.368 4.886 30 40 GJEB O=[N+]([O-])c1cc(/C=N/N=c2/[nH]c3ccccc3c3ccccc23)ccc1Cl 1800134 BQOWFCPHQPRTML-WSDLNYQXSA-N 376.803 4.818 30 40 GJEB C=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2140197 FCWYNTDTQPCVPG-LOCCHRAXSA-N 382.500 4.941 30 40 GJEB CCOc1ccc(Br)cc1/C=N/N=C(\S)Nc1ccccc1 4136685 UJFUMYVBJUPAFI-WOJGMQOQSA-N 378.295 4.580 30 40 GJEB C/C(=N\Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1cccs1 15011536 KGLLNKMHGFIJEB-MFKUBSTISA-N 393.520 4.503 30 40 GJEB CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 33708647 XCHHEJRJOMEPPJ-LSHDLFTRSA-N 396.343 4.699 30 40 GJEB CCOc1ccc(/N=C2/S[C@H](Cc3ccccc3OCC)C(=O)N2CC)cc1 409145283 NUKUUKDTHJDQJK-QAHCAUCSSA-N 398.528 4.678 30 40 GJEB COc1cc(/C=N/c2ccc(C(=O)c3ccccc3)cc2)cc(OC)c1OC 1087273 DEQILFXKZAXJCR-BUVRLJJBSA-N 375.424 4.694 30 40 GJEB COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CCC3)c1 4944902 KFPSQFUIJVGCPU-IBGZPJMESA-N 391.467 4.540 30 40 GJEB N#Cc1ccccc1CSc1nnc(SCc2ccccc2C#N)s1 5231278 YTNXTXDWAXDYMV-UHFFFAOYSA-N 380.523 4.866 30 40 GJEB N#Cc1c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)sc2c1CCCC2 5351467 BMPDRQYHRHKQHE-UHFFFAOYSA-N 384.844 4.511 30 40 GJEB C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1ccccc1 8185691 MIWXTLIXKIVAAP-HNNXBMFYSA-N 397.475 4.546 30 40 GJEB N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1NCCN1CCCCC1 27562307 SQQTWVMYXGQVBT-UHFFFAOYSA-N 386.499 4.624 30 40 GJEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c2c(C)noc2n1 84083210 QURSIDLIQYOQOJ-UHFFFAOYSA-N 380.473 4.684 30 40 GJEB CCCCCCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 102561837 GAHWXRGRHGREMU-UHFFFAOYSA-N 392.584 4.829 30 40 GJEB COC(=O)c1cccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)c1 408586554 CMJDYXQWDQWNMX-WYMPLXKRSA-N 375.428 4.713 30 40 GJEB O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccco1 409285259 XBNRGORDYDCTTA-UHFFFAOYSA-N 389.798 4.938 30 40 GJEB Cc1ccc(C)c(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)c1C 1443157 HZIOJPVLZNMRSE-UHFFFAOYSA-N 379.423 4.881 30 40 GJEB O=C1C=CC2=N[C@@]34c5ccccc5CC[C@H]3CC3=C(c5ccccc5CC3)N4C2=C1 2336561 JXSBMYTUCHGFFX-DCFHFQCYSA-N 390.486 4.942 30 40 GJEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(Br)cc1 6684038 VKLBOLQGPYRVAJ-UFWORHAWSA-N 388.143 4.822 30 40 GJEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccc(Cl)cc2)c1C 10118952 DUPUCRYNBHYHQY-AFUMVMLFSA-N 395.890 4.658 30 40 GJEB Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2C[C@@H](C)C[C@@H](C)C2)C1=O 13654042 HJDUMLWRGSDYTN-NEHIUCFPSA-N 383.513 4.856 30 40 GJEB biogenic OC(C/C(=N/Nc1ccccc1)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 17000278 IRZXGKZQUKSGNS-WGARJPEWSA-N 394.290 4.888 30 40 GJEB C/N=C1/S/C(=C/c2ccccc2OCc2cccc3ccccc23)C(=O)N1C 408928385 AQEAEYPXUOYYFN-IZSQXYTLSA-N 388.492 4.951 30 40 GJEB O=C(c1cccc(OC(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 575243052 VOLIEFHSFTTZKZ-UHFFFAOYSA-N 390.148 4.939 30 40 GJEB CCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC 947384 XSGOAEVFEXCBGI-DNGMOHDESA-N 396.512 4.804 30 40 GJEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)cc1OC 1440579 ZDGBSHMXMSFNAV-QFIPXVFZSA-N 386.451 4.817 30 40 GJEB N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]21 2322721 NIQUINPNXZDKJD-BHIFYINESA-N 399.881 4.720 30 40 GJEB COC(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)c(C#N)c1C 5881614 IVOWUSLXMFCKLI-UHFFFAOYSA-N 390.873 4.835 30 40 GJEB CC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2Cl)nc1C 8299915 CHOZRQXSHYLAQZ-UHFFFAOYSA-N 379.268 4.746 30 40 GJEB CCOc1ccccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 12772176 LFZSUNAGSIQEJD-AWEZNQCLSA-N 383.517 4.726 30 40 GJEB Cc1cc(C)c(C#N)c(SCc2nc3scc(C)n3c2Br)n1 41048509 PGDFPOPDYVUETC-UHFFFAOYSA-N 393.335 4.643 30 40 GJEB C/C=C1/C[N+]2(C)CC[C@]34C(=C(/C=N/Nc5ccccc5)[C@H]1C[C@@H]32)Nc1ccccc14 49586670 KZDYDLFVHMLGCE-OAMLAODCSA-N 397.546 4.901 30 40 GJEB CCCC/N=C1/S[C@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CCCC 95482828 APLKUXYZRXEDMR-YGCDDZCOSA-N 395.956 4.569 30 40 GJEB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)n1 253508304 CWICEVOQFOQFIA-IHGYHAMNSA-N 396.575 4.869 30 40 GJEB C=CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1OCC 408623336 SMNDKUFKUIGSLB-UHFFFAOYSA-N 390.277 4.973 30 40 GJEB COc1ccc(C)cc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N 1354255 SVYODKRYESAWQK-UHFFFAOYSA-N 391.496 4.771 30 40 GJEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 5518232 DKROTHIIHUFWJN-RWHKDXOVSA-N 380.447 4.524 30 40 GJEB C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 13635138 BTSGPYXFMVTZAH-HXUWFJFHSA-N 391.496 4.776 30 40 GJEB O=C1Nc2ccc(C(=O)O)cc2N/C1=C\C(=O)c1ccc(C2CCCCC2)cc1 16401262 LVQAABBFDZEAPJ-MOSHPQCFSA-N 390.439 4.563 30 40 GJEB N#C[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc2noc(-c3ccccc3)c2c1 77099421 HNRVIAMNYBJJSE-OXJNMPFZSA-N 383.407 4.733 30 40 GJEB N#Cc1ccc(COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 102199180 DOOMQQJZFUMGCN-NXMBOHNASA-N 388.305 4.725 30 40 GJEB CCCCCCCCCCCCCCCCC1=C(C(=O)OC)NC(=N)N[C@@H]1O 104274683 LGKURTRDLRZUFD-HXUWFJFHSA-N 395.588 4.731 30 40 GJEB CCOC(=O)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 575243235 WTHZBEUXQVIVMT-UHFFFAOYSA-N 396.205 4.514 30 40 GJEB O=C1C(=Cc2cc(Br)ccc2OC(F)F)C(=O)c2ccccc21 936559 PYNQJUBSTLVXIX-UHFFFAOYSA-N 379.156 4.513 30 40 GJEB N#Cc1c(NC(=O)c2cc(Br)ccc2Cl)sc2c1CCC2 3299642 AHWUUDGZQGAABN-UHFFFAOYSA-N 381.682 4.777 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)c2ccc(C)cc2)nc2sc(C)c(C)c2c1=O 3470583 XNXKFQCPAXJJEY-OAHLLOKOSA-N 398.553 4.933 30 40 GJEB C=CCN1C[C@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O 4385998 JGFNWOCRHPMCPX-HXUWFJFHSA-N 387.527 4.820 30 40 GJEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc3ccccc13)n1ncnc1N2 4435978 RYAXZGMQPYUCFF-QRQCRPRQSA-N 398.491 4.909 30 40 GJEB Cc1ccc(C(=O)O)cc1NC(=O)c1ccccc1Sc1ccccc1C#N 9048716 DXSLXACVFZASDT-UHFFFAOYSA-N 388.448 4.968 30 40 GJEB COc1ccc(/C=C2\Oc3c(ccc4c3CN(c3ccc(C)cc3)CO4)C2=O)cc1 11865268 LTSLJEXGHLVADP-QRVIBDJDSA-N 399.446 4.976 30 40 GJEB COc1ccc(C2=NN([C@H](C#N)c3ccccc3O)[C@@H](c3ccccc3)C2)cc1 12630568 BCIUBXDTQNXTMB-DHIUTWEWSA-N 383.451 4.817 30 40 GJEB Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NC[C@H]4CCCO4)o3)o2)c1 33027050 URXGAUDNPJGBOR-MRXNPFEDSA-N 393.443 4.593 30 40 GJEB O=C(/C(=C\c1cc(Br)ccc1O)C(=O)C(F)(F)F)c1ccccc1 33536559 REKUPXHBIYGUPM-UKTHLTGXSA-N 399.162 4.552 30 40 GJEB O=C(Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)c1cccs1 2267467 ZWVIKHLXQZBXNW-XQNSMLJCSA-N 392.480 4.555 30 40 GJEB N#C/N=C(\Nc1cccc(C(F)(F)F)c1)SCc1ccc(C(=O)O)cc1 4620302 HBSZUZRGKDMYLS-UHFFFAOYSA-N 379.363 4.586 30 40 GJEB CN(C)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)cc1 5520034 GZLYWSKGBNQFIM-SXGWCWSVSA-N 392.311 4.951 30 40 GJEB CC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1ccccc1 17207207 DEGQLUDNLRUZQM-HPBANFDTSA-N 395.528 4.754 30 40 GJEB C=CCn1c(Sc2ccc(C#N)cn2)nnc1-c1ccc(Cl)cc1Cl 25060538 FXWYZNBFNNBPID-UHFFFAOYSA-N 388.283 4.856 30 40 GJEB Cc1cccc(Cn2cc(/C=N/Nc3ncccc3[N+](=O)[O-])c3ccccc32)c1 409097584 MRDBZODBLHMQSG-ZMOGYAJESA-N 385.427 4.747 30 40 GJEB CC[C@H](C)/N=C/c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 17136176 JKMCTACYXBBJMQ-KOUDTOEKSA-N 376.485 4.660 30 40 GJEB N#C[C@H](C(=O)c1ccc2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2s1 36270260 UTYZJPKMMKRLLJ-LLVKDONJSA-N 390.342 4.534 30 40 GJEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1csc(-c2ccccn2)n1 44026553 MVDAKEXMCUSBEF-NCZFFCEISA-N 389.436 4.943 30 40 GJEB C/C(=N/Nc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(N)cc1 95347324 RJOZJBGOAWNCJR-ROTLSHHCSA-N 377.448 4.916 30 40 GJEB O=C1/C(=C\c2cccnc2)S/C(=N/c2ccccc2)N1CCc1ccccc1 96469419 BTZUTSRRWCOEQV-IXXRPMNDSA-N 385.492 4.928 30 40 GJEB O=C1C(=C2C=C(O)c3ccccc3N2Cc2ccccc2)C(=O)c2ccccc21 100430396 WJEIBMCRCJLDJO-UHFFFAOYSA-N 379.415 4.939 30 40 GJEB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1 100601505 YBENFJDXFJLIHT-QFIPXVFZSA-N 376.456 4.503 30 40 GJEB C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(SC)cc1 224990272 YAOJBKIXAFWYQT-UHFFFAOYSA-N 387.448 4.809 30 40 GJEB N#CCCC[C@H](NCc1cnc2ccc(Br)cn12)c1ccccc1 560561539 JKNDOCHZKQVWJV-SFHVURJKSA-N 383.293 4.622 30 40 GJEB C[N+](C)(C)C(=NC(=S)Nc1ccccc1F)c1cc(Cl)cc(Cl)c1 1083813763 ABSLRZYIDQTGOC-UHFFFAOYSA-O 385.315 4.982 30 40 GJEB C/C(=N\OC(=O)c1ccccc1Cl)C(=O)c1ccc(Br)cc1 4770206 WJGSAQXXAGNEIU-VXLYETTFSA-N 380.625 4.518 30 40 GJEB COc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)cc1 5784344 BHZQTBGYLJOVGT-FSJBWODESA-N 396.878 4.780 30 40 GJEB COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(F)cc2)cc1 6280076 CEMBBNLQARDWPT-UHFFFAOYSA-N 392.434 4.817 30 40 GJEB N#CCCSc1ccccc1NC(=O)c1ccc(F)cc1Br 95953442 JOODVCQFALORDI-UHFFFAOYSA-N 379.254 4.846 30 40 GJEB Cc1cccc(N2C(=O)C(=O)/C(=C3\C=Cc4ccccc4N3)[C@@H]2c2ccsc2)n1 101275223 JOCBYDZQUZOHGM-LSSWGTAKSA-N 399.475 4.502 30 40 GJEB CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2F)NC1=O 408872848 JZMYSNKVNKABKR-YBEGLDIGSA-N 376.840 4.769 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CC 408909824 HORXIFSPVAPLKG-FOLIBTTPSA-N 380.469 4.602 30 40 GJEB CC(=O)c1ccc(/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1 2202151 NQCPNZLPSVJKNC-SSDVNMTOSA-N 378.384 4.879 30 40 GJEB COc1cccc(/C=C2\Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c1 5960657 QLUOQCXMURUIHH-QRVIBDJDSA-N 388.419 4.899 30 40 GJEB biogenic C=CCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC 11129303 ZQNURURCOHGQPQ-UHFFFAOYSA-N 392.933 4.703 30 40 GJEB C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)SC1=S 15012049 TYXFAJPMUBMYRM-XDHOZWIPSA-N 392.505 4.524 30 40 GJEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccccc2n1C1CCCCC1 25057835 QXXLUPQKUDDBBY-NRFANRHFSA-N 384.549 4.688 30 40 GJEB O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)Cc2ccccc21 33686957 XGEIVVMFYCCTLY-WZUFQYTHSA-N 394.062 4.740 30 40 GJEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1 102801743 WXWXTPAHCSPGGJ-HOGKFDNTSA-N 383.447 4.930 30 40 GJEB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N\n1c(S)nnc1-c1ccc(OC(F)F)cc1 229370729 DJOCRULSOVSQHK-AONYUPQFSA-N 390.459 4.662 30 40 GJEB C=CCOc1c(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cccc1OC 408534740 UKXCKYAOYVATRA-QGOAFFKASA-N 397.521 4.974 30 40 GJEB COc1cc(/C=C2\CCCC/C(=C(/O)C(F)(F)F)C2=O)cc(Cl)c1O 408563954 SQYNIISIKQRNJD-FAIWILQLSA-N 376.758 4.955 30 40 GJEB CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N/c1ccc(F)cc1 409250298 WWFFWWXSORBUSS-JUAGQRJUSA-N 379.460 4.941 30 40 GJEB C=C1[C@H](C(=O)Nc2c(C)cccc2CC)[C@H]1C(=O)Nc1c(C)cccc1CC 858494 QCGXXYLFUGPRCZ-PMACEKPBSA-N 376.500 4.808 30 40 GJEB CO/N=C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1F 4041011 CQTAXNRRGCZKBA-BQVRLVCZSA-N 385.197 4.926 30 40 GJEB O=S(=O)(C/C=N/OCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 4089987 RZUZWQIAHWOYCN-UFWORHAWSA-N 392.691 4.623 30 40 GJEB N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCCN1CCCCC1 4175256 ZPKARKTUQCFBQC-UHFFFAOYSA-N 381.589 4.999 30 40 GJEB CCOc1ccccc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N 4849089 RCRHTOLWGXWMQG-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB C=CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(Cl)ccc2[nH]1 5346189 GEODNZRMYLNQEV-UHFFFAOYSA-N 384.863 4.667 30 40 GJEB C=CCn1c(S[C@H](C)C(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 6552625 DNRRVHMXSPQVJG-CYBMUJFWSA-N 384.888 4.599 30 40 GJEB C[C@H]1CCC[C@@H](C)N1/N=C/c1cc(Br)cc(Br)c1O 12648282 HCKUBOUDEFJALS-XAEIKVNOSA-N 390.119 4.514 30 40 GJEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 17994677 IFPDGUHQGLXLEY-NRFANRHFSA-N 381.516 4.806 30 40 GJEB CC(C)(C)C(=O)[C@H]1[C@H](c2ccsc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21 35366076 UFFIMOFQGWZFSH-ZCNNSNEGSA-N 387.508 4.890 30 40 GJEB C=CCOC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Br)c3)nc2c1 226344307 ULQAWQWODZARHS-UHFFFAOYSA-N 391.652 4.989 30 40 GJEB N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1 408624070 XCKIRTYCPXCBEG-UHFFFAOYSA-N 376.231 4.987 30 40 GJEB CCCOc1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)c(OCCC)c1 6311303 TVFDPJAFCJJJHM-PXLXIMEGSA-N 385.533 4.893 30 40 GJEB Cc1ccc(S(=O)(=O)NN=C2CCCCCCCCCCC2)cc1[N+](=O)[O-] 7140952 YLARKCCRBMWDDQ-UHFFFAOYSA-N 395.525 4.842 30 40 GJEB Cn1c(N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)nc2ccccc21 7343373 KDGQBNPDFCDQFF-SRZZPIQSSA-N 395.806 4.841 30 40 GJEB CCN1CC[C@](O)(/C=C\c2ccccc2C)[C@H](C(=O)/C=C/c2ccccc2C)C1 8665811 FRUBACZOYHZTKA-UKBJSLCMSA-N 389.539 4.672 30 40 GJEB CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 19817949 UPWDRMNSCSOBKI-UHFFFAOYSA-N 392.543 4.726 30 40 GJEB C=CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc2ccccc12 27995484 DIRMYOCNMZSLFV-OAQYLSRUSA-N 387.410 4.743 30 40 GJEB CCOc1ccc2c(c1C)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O 28182645 GCGYCBPZQRCUER-NHDPSOOVSA-N 377.440 4.993 30 40 GJEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)S2)cc1 33635923 FNCOEDJVIAGEHD-NDENLUEZSA-N 388.496 4.689 30 40 GJEB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)/C(=C/c2cccc(Cl)c2)C1=O 59516273 YIDVGCHUXJUVRH-XDHOZWIPSA-N 381.859 4.834 30 40 GJEB CC(=O)/C=C(\C)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O 80325257 BNGQUIHNIPWMRA-XSSIKURBSA-N 399.288 4.799 30 40 GJEB C/C(=N\c1ccc2c(c1)C(=O)[C@H]1C=CC=C[C@@H]1C2=O)c1cc2ccccc2oc1=O 100359880 QNXZAMGUPFACBX-SWERZJPOSA-N 395.414 4.671 30 40 GJEB C=CCNC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939656 GMMBMEADNOSULW-UHFFFAOYSA-N 383.245 4.687 30 40 GJEB Cc1ccc(C(C)C)cc1COc1nn(Cc2cccc(F)c2)c(N)c1C#N 225842234 ZTVNARPFNONPBQ-UHFFFAOYSA-N 378.451 4.535 30 40 GJEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O 409109063 XGTZCZIBFMTWDN-DEDYPNTBSA-N 389.480 4.865 30 40 GJEB COc1ccc(Br)c(/C=N/c2cc(C(C)(C)C)ccc2O)c1O 793463 OFXWUBCJEKFJEG-KEBDBYFISA-N 378.266 4.917 30 40 GJEB CCc1cccc(C)c1NC(=O)CSc1nc2cc(OC)ccc2cc1C#N 1354718 YADWODBVUPMORO-UHFFFAOYSA-N 391.496 4.717 30 40 GJEB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 5406312 XGBXKYCDQUQDTM-KRWDZBQOSA-N 384.435 4.834 30 40 GJEB COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 6403725 YLBVODVZACGUFZ-JXMROGBWSA-N 388.419 4.899 30 40 GJEB CCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1 6655482 PNQHFPXJPFVKKD-RGVLZGJSSA-N 375.266 4.952 30 40 GJEB O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2cc(OCc3ccc(F)cc3)ccc21 9420718 JOPSAWXBFYGJSC-YVNNLAQVSA-N 390.366 4.750 30 40 GJEB CCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OC 20797182 ZNWUXGGBZSIXMT-JOCHJYFZSA-N 391.471 4.712 30 40 GJEB CCCCSC1(SCCCC)N=C(N)[C@@]2(C#N)[C@H]3C=C[C@@H](CC3)[C@]12C#N 100956664 IKXHYTTVFRPNQZ-DKKFBQAASA-N 388.606 4.694 30 40 GJEB Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3c(C)cc(C)cc3C)C(=O)N2C)c1 101650920 VARJAKQBWSAQFY-KGNHYALCSA-N 395.528 4.510 30 40 GJEB C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O 208326581 RGSZQRGZAJFVCF-VUFYJBQKSA-N 382.529 4.777 30 40 GJEB C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 219642469 CJJMXTMLJNGOSY-RTBURBONSA-N 378.516 4.979 30 40 GJEB O=C1C(=Cc2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)C(=O)c2ccccc21 408993245 VHNAHJPSORYUEX-UHFFFAOYSA-N 388.404 4.604 30 40 GJEB C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C1\CC(=O)c2ccccc21 4476806 GRYZNERHZONLMU-JCHGEHAFSA-N 393.899 4.947 30 40 GJEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1c2ccccc2cc2ccccc12 5518235 DKROTHIIHUFWJN-BNEMUORDSA-N 380.447 4.524 30 40 GJEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3Cl)N(C)C)o2)cc1 27991153 HSYMVWXAHFPMFP-LJQANCHMSA-N 396.878 4.590 30 40 GJEB Cc1noc2c1[C@@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 28053014 PMDPLNDBEGQSJW-YCRPNKLZSA-N 390.414 4.786 30 40 GJEB Oc1c(Br)cc(Cl)cc1/C=N\Nc1nc2ccccc2s1 71759938 BOVJGEWEZDCKSC-IDUWFGFVSA-N 382.670 4.864 30 40 GJEB CCCCCCCCC[C@@H](O)CCC[C@H](O)[C@H](O)CCCCCCC(=O)O 100114086 JHAAEJPYWGVVFN-NJYVYQBISA-N 388.589 4.805 30 40 GJEB CCN(CC)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc1 100998572 NXQGGZOJPLUPOU-QQTULTPQSA-N 391.519 4.750 30 40 GJEB CCCCc1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 105491832 CZZKYHHKUMQJIT-BZZOAKBMSA-N 375.516 4.940 30 40 GJEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(O)c(OC)c2)C(=O)N1CC 408915858 RBRPBABMEBZAOI-NFYBBCHUSA-N 382.485 4.587 30 40 GJEB C#CCOc1ccc2ccccc2c1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409041699 JGUQRCHNLWAGPC-KIBLKLHPSA-N 392.274 4.566 30 40 GJEB Cc1c(/N=C/c2ccccc2OCc2ccccc2)c(=O)n(-c2ccccc2)n1C 1027634 ASJCCQOZTIPXSQ-YZSQISJMSA-N 397.478 4.814 30 40 GJEB CCCCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1OC 1780594 VQGYUVZYKQJIQQ-OEAKJJBVSA-N 396.516 4.640 30 40 GJEB CC(C)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1 4435984 LHTWNFFHKVQQEF-IERDGZPVSA-N 390.512 4.879 30 40 GJEB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(C)ccc2O)cc1 4939321 PIAYDIKLZHXXAT-HYARGMPZSA-N 380.469 4.560 30 40 GJEB CCCC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O 5737179 BPUIJCRRBRYWPR-NAZSODNNSA-N 395.528 4.720 30 40 GJEB Cc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](C)CC1=O)N2 10339522 ZXMLKZUXXFNDHP-RCDICMHDSA-N 386.455 4.647 30 40 GJEB CN1CCc2nc(SCc3ccccc3)c(C#N)c(-c3cccs3)c2C1 19889295 UEAHVSLOPIQFHW-UHFFFAOYSA-N 377.538 4.962 30 40 GJEB N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 20637744 SVKNHKIMZFFJKB-GHTZIAJQSA-N 380.407 4.510 30 40 GJEB N#C[C@H]1[C@H](c2ccccc2OCc2ccccc2)CC(=O)N1Cc1ccccc1 26896056 CKJFHSWJICRUCJ-GOTSBHOMSA-N 382.463 4.674 30 40 GJEB O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccc(N2CCOCC2)cc1 48231585 DGFSAQDHNRYHAQ-PKNBQFBNSA-N 377.415 4.818 30 40 GJEB CCCOC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795743 WEPWYPQKENHJFS-UHFFFAOYSA-N 386.157 4.653 30 40 GJEB COC(=O)c1cccc(Cn2cc(/C=N/Nc3ccccc3)c3ccccc32)c1 408543669 RZTLOYHXNSZWHJ-MFKUBSTISA-N 383.451 4.922 30 40 GJEB Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C(C)C)cc1 408912110 LEGWTTZCRMCQRL-WBCKRXDOSA-N 380.469 4.706 30 40 GJEB Cc1ccc2cc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)ccc2n1 711205 QQVVMKFZFVSNQY-DJKKODMXSA-N 386.205 4.670 30 40 GJEB Cc1ccc2cc(C[C@@H](C#N)C(=O)Nc3ccc(F)cc3)c(Cl)nc2c1C 895487 IAAAXCUBFHVWCG-INIZCTEOSA-N 381.838 4.965 30 40 GJEB N#Cc1c(/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2377067 YLSQYEUPNGZVCY-LPYMAVHISA-N 376.441 4.948 30 40 GJEB C=C1S/C(=N\c2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C1(C)C 17110524 YUWIDEGVONMHDA-CYVLTUHYSA-N 396.303 4.720 30 40 GJEB CCCCN(CCCC)Cc1c(O)ccc2c1O/C(=C\c1cccnc1)C2=O 20647064 CQENVNKHXTWHBJ-STZFKDTASA-N 380.488 4.806 30 40 GJEB F[C@H](C(F)(F)F)C(F)(F)OCCC(F)(F)C(F)(F)Br 103539001 GAFKOAFTXDELSA-GSVOUGTGSA-N 375.000 4.509 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OCc2ccccc2Cl)nc1 408900543 VXAUIKSUAXNDCF-SSDVNMTOSA-N 382.807 4.668 30 40 GJEB CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(CC)c4ccccc34)S2)cc1 408955952 ZDFZTDYNVGFAHQ-DEDYPNTBSA-N 391.496 4.952 30 40 GJEB CCCCCCCCNC(=S)Nc1nc2ccc(C(=O)OC)cc2s1 409189681 MXHFKXAMHGVFIG-UHFFFAOYSA-N 379.551 4.730 30 40 GJEB O=c1c2ccccc2ncn1/N=C\c1ccc(-c2ccccc2C(F)(F)F)o1 409210006 KKHIJHIJOULIKB-GATIEOLUSA-N 383.329 4.558 30 40 GJEB CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)S/C1=N\c1cc(C)ccc1C 4675823 UEAAYWCYSVYKGT-NMSSZPRHSA-N 394.496 4.714 30 40 GJEB C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F 5482636 HEGHOPOVQNLTNF-IHRRRGAJSA-N 389.355 4.722 30 40 GJEB COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(O)cc3)cc2[N+](=O)[O-])cc1 6897264 CRVIZTLDUFEQAW-SWGQDTFXSA-N 391.379 4.997 30 40 GJEB CN(/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 6995376 PMBYXYHHYQFLSB-LSDHQDQOSA-N 384.888 4.612 30 40 GJEB CCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1O 8084418 IEKQPFRSUZGMLR-YBFXNURJSA-N 395.240 4.709 30 40 GJEB CCOc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 13586064 YEYGSNDMUNDDFC-SRZZPIQSSA-N 382.247 4.814 30 40 GJEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccccc3Cl)N(C)C)o2)cc1 27991157 HSYMVWXAHFPMFP-IBGZPJMESA-N 396.878 4.590 30 40 GJEB CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(N(C)C)cc3)C(=O)N=C2S1 33354082 CYUVFNGXRPTMLI-JWGSSVRRSA-N 397.548 4.732 30 40 GJEB N#Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 33664843 BOTWPYZQFIVHTK-UHFFFAOYSA-N 385.030 4.801 30 40 GJEB N#Cc1ccc(/C=C\C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 96920715 WIKYJJBZJVVFCP-NJRZHNRPSA-N 376.506 4.869 30 40 GJEB CC1(C)CC2=C(/C(=N/Nc3ccccc3)C1)[C@@H](c1ccccc1)[C@@H]([N+](=O)[O-])O2 100929252 YCTTYYZDQYBKMX-MFYJFPICSA-N 377.444 4.945 30 40 GJEB COc1ccc(Oc2ccc(/N=C\c3cc4c(cc3OC)OCO4)cc2)cc1 409075673 ZTQHCVGQFUGJOI-QRVIBDJDSA-N 377.396 4.975 30 40 GJEB N#Cc1cccc(CN2CCC(N[C@H]3CC4(CCC4)Oc4ccccc43)CC2)c1 593721182 KKVUJNBGSKQGBW-QHCPKHFHSA-N 387.527 4.559 30 40 GJEB C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 2449374 QMUOPUSEJRDSHV-UHFFFAOYSA-N 398.919 4.824 30 40 GJEB C=CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1occc1C 3430858 ZNUMRTFUZVCEMA-UHFFFAOYSA-N 381.501 4.933 30 40 GJEB Cc1ccc(C)c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 8076593 DQWRFELBLPUGAU-UHFFFAOYSA-N 393.512 4.966 30 40 GJEB Cc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](C)CC1=O)N2 10339523 ZXMLKZUXXFNDHP-FPTDNZKUSA-N 386.455 4.647 30 40 GJEB COc1cc(C#N)ccc1O[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 10750487 DFNLRMPJPCIRRW-NSHDSACASA-N 389.333 4.776 30 40 GJEB C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 12062890 YAVXHHYQXYGZDD-OAQYLSRUSA-N 389.451 4.621 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(CC)cc3)nc2c1 35292197 JTBZZHQDTVFLQA-UHFFFAOYSA-N 391.496 4.798 30 40 GJEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N 225751541 UMYBGDUFVPLDDB-UHFFFAOYSA-N 382.847 4.587 30 40 GJEB N#CCOc1ccccc1/C=C1\SC(=Nc2cccc3ccccc23)NC1=O 408820079 UYUXLWKKCLTBID-ZHZULCJRSA-N 385.448 4.634 30 40 GJEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(C(C)(C)C)c3C)S2)cc1 408962041 FXYZEZLKPWJDTH-LDADJPATSA-N 383.517 4.760 30 40 GJEB CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(N4CCOCC4)o3)c2C#N)C1 409086801 RSMCMURKPUIKJF-BGHCKBSUSA-N 397.544 4.951 30 40 GJEB CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 409101265 SKPMCWMBXSYMOR-RGVLZGJSSA-N 387.464 4.617 30 40 GJEB O=[N+]([O-])c1ccc(COc2cccc(/C=N/NCc3ccc(Cl)cc3)c2)cc1 10118895 KHXQGOQZKLLDJV-ZVHZXABRSA-N 395.846 4.951 30 40 GJEB Cc1ccc(C/N=C(\O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1 28048869 VRKBULTVNIATEK-UHFFFAOYSA-N 391.471 4.982 30 40 GJEB C=CCn1c(SCC(=O)c2ccccc2)nnc1[C@H](C)Oc1ccccc1 32604323 HBALQUXIAWGKNP-INIZCTEOSA-N 379.485 4.579 30 40 GJEB COc1c(O)cccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 59193588 GDPCGYORTQFFCN-UHFFFAOYSA-N 396.483 4.801 30 40 GJEB CC1(C)CC2=C(/C(=N/Nc3ccccc3)C1)[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])O2 100929251 YCTTYYZDQYBKMX-YIOZOHNNSA-N 377.444 4.945 30 40 GJEB C#CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226344843 HFEGPGFUTINKKG-UHFFFAOYSA-N 379.630 4.980 30 40 GJEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408909367 GUCZNFWNEZGDLA-BKUYFWCQSA-N 392.371 4.528 30 40 GJEB CCc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3OC(C)C)S2)cc1 409009697 BLDYXUZPADTBSJ-UYRXBGFRSA-N 396.512 4.936 30 40 GJEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O 5252493 CVOXLDYCLVLPPT-XCBDWFPESA-N 393.222 4.550 30 40 GJEB Cc1ccccc1/N=C1\SCCN1C(=O)c1c(-c2ccccc2)noc1C 5959974 TWSDCYHDYDWFBX-DQRAZIAOSA-N 377.469 4.835 30 40 GJEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cc(C(F)(F)F)ccc1Cl 12618186 JOEDFTXUMNBTFO-HAHDFKILSA-N 380.757 4.549 30 40 GJEB C=CCOc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 14783714 BSSGIWOEHOSXNO-UHFFFAOYSA-N 396.668 4.685 30 40 GJEB N#Cc1ccc(-c2ccncc2)nc1SCCCC(=O)c1ccc(F)cc1 19853621 NTACXXAODPTRGX-UHFFFAOYSA-N 377.444 4.910 30 40 GJEB C/C(=N/N1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Cl)c(Cl)c1 33341960 LPYVKCHEUNMWHY-KQWNVCNZSA-N 376.331 4.844 30 40 GJEB C(=N\Nc1cc(N2CCCCCC2)nc(N2CCCCCC2)n1)\c1ccccc1 33921650 DZLCPDKSRYZORF-CLCOLTQESA-N 392.551 4.683 30 40 GJEB Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccccc3[N+](=O)[O-])n2)c(C)c1 44827491 PIKLQXGTALJVNT-XQNSMLJCSA-N 377.429 4.675 30 40 GJEB F[C@@H]1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100483881 ULIPEIAHXQESPD-JCYAYHJZSA-N 398.065 4.717 30 40 GJEB COc1cc([C@H]2N=C(SC)N(c3ccccc3)C(C)=C2C(C)=O)ccc1O 107644598 CTBQFPGTKODGTE-HXUWFJFHSA-N 382.485 4.544 30 40 GJEB CC/N=C1/S/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C(=O)N1CC 408932455 XESHVKFYOVLTKY-OLJZLWAYSA-N 396.940 4.838 30 40 GJEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1C#N 4180303 AIHBSSZVEOXBSA-UHFFFAOYSA-N 395.414 4.608 30 40 GJEB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccccc3C#N)s2)c1 8091093 XHDYCKSENIGBKT-CYBMUJFWSA-N 395.513 4.581 30 40 GJEB C=CCNc1nc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cs1 10136397 HIPZBGWKGKQTBA-UHFFFAOYSA-N 391.905 4.875 30 40 GJEB Cc1nnc(Sc2ncc(-c3ccccc3)n2Cc2ccco2)c(C#N)c1C 12535461 GRVOWJRSMVYZBJ-UHFFFAOYSA-N 387.468 4.621 30 40 GJEB COc1ccccc1CNc1nc(SC)nc(-c2ccc(C)cc2)c1C#N 19820689 ITFCOWJRIBMQJU-UHFFFAOYSA-N 376.485 4.666 30 40 GJEB Cc1ccc(N2C(=O)C[C@@H](c3ccccc3OCc3ccccc3)[C@@H]2C#N)cc1 26896066 QXGRSOFDQNGMTF-GOTSBHOMSA-N 382.463 4.987 30 40 GJEB Cc1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O 38162484 NQHUOJSARJJOIH-REZTVBANSA-N 385.055 4.682 30 40 GJEB N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2F)cc1 3336960 NVIUYQMQYZWHOD-UHFFFAOYSA-N 378.790 4.834 30 40 GJEB Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 8508985 XOLUQWRRSMDCCW-JLHYYAGUSA-N 389.542 4.517 30 40 GJEB N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCCSCC2)cc1Cl 95351923 MJGXKMDDDLHTDM-SFHVURJKSA-N 385.920 4.966 30 40 GJEB CC1=NN(c2nc(C(C)(C)C)cs2)C(=O)/C1=N/Nc1ccc2ccccc2c1 100550745 CKYPIOXUCGCKEU-HKOYGPOVSA-N 391.500 4.784 30 40 GJEB C=CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 225720773 VMVFSFJJQZDNTG-SFHVURJKSA-N 386.517 4.706 30 40 GJEB C#CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1 226340409 OSQMJEBFWQQCQN-UHFFFAOYSA-N 393.664 4.780 30 40 GJEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccccc1Cl 409082917 KBLREKOZAXCHRC-WQRHYEAKSA-N 397.858 4.972 30 40 GJEB CCOc1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1 1354389 HEKJZTMFRORWRI-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1C#N 3353489 VGYKJOOLHXSINW-SECBINFHSA-N 385.798 4.745 30 40 GJEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1 4189382 ABOQERGRBXORKG-UOXRKKOCSA-N 396.874 4.571 30 40 GJEB N#Cc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 6620116 SAKINQVWOJHDLJ-UHFFFAOYSA-N 388.267 4.613 30 40 GJEB O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccnc1)n1c(nc3ccccc31)N2 7496127 KVTHBDHWGIPBLS-KOSHJBKYSA-N 392.462 4.847 30 40 GJEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NC[C@@H]1CCCO1 8844518 BIXMRQWNNGBYJV-HNNXBMFYSA-N 399.834 4.630 30 40 GJEB COc1cccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c1OC 12663019 YVOPWSASDINVMU-XKZIYDEJSA-N 388.419 4.899 30 40 GJEB biogenic COc1ccc(CN(C(=O)c2cccc(C#N)c2)[C@@H](C)Cc2cccs2)cc1 14903586 NEUIFCXCSOMZDY-KRWDZBQOSA-N 390.508 4.902 30 40 GJEB N=C1N(/N=C/c2ccccc2)/C(=N/c2ccccc2)C(=S)N1c1ccccc1 15985817 QFBPZYKOVCWBFE-KUUIOYTKSA-N 383.480 4.835 30 40 GJEB Cc1ccc(S(=O)(=O)/N=C(/Nc2cc(C)c(O)cc2C)c2ccccc2)cc1 16739897 ITCLBVOWCYRLOF-UHFFFAOYSA-N 394.496 4.565 30 40 GJEB CC(=O)C1=C(NCCc2c(C)[nH]c3ccccc23)C[C@H](c2ccccc2)CC1=O 100147530 ACQWRLWARXBVKW-IBGZPJMESA-N 386.495 4.598 30 40 GJEB C=CCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OCC 2119757 PAUIAFLGNUWPEQ-XMHGGMMESA-N 381.453 4.891 30 40 GJEB CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(OC)cc1 5003041 YQJYKJUZXUKQEQ-KAXIZBKFSA-N 397.525 4.689 30 40 GJEB C=CCn1c(SCc2ccccc2C#N)nc2sc3c(c2c1=O)CCCC3 6886734 RDYRKZODAXYLDP-UHFFFAOYSA-N 393.537 4.687 30 40 GJEB Cc1cccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C(C)C)c1 9614995 DLJFIAXPTQLMOB-UHFFFAOYSA-N 376.485 4.681 30 40 GJEB COc1ccc(OC)c(/N=C2\SCCCN2C(=O)c2cc(C)cc(C)c2)c1 14360736 FJTOWUMHLGNGEK-DQRAZIAOSA-N 384.501 4.587 30 40 GJEB CCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc4ccccc4n32)cc1OC 20797186 ZNWUXGGBZSIXMT-QFIPXVFZSA-N 391.471 4.712 30 40 GJEB C/C(=N\Nc1nc(-c2ccc(Cl)cc2)c2ccccc2n1)c1ccnn1C 96265983 SGPRHDQSGNLMPR-DHRITJCHSA-N 376.851 4.520 30 40 GJEB CC[C@@H](C)/N=C1/SCC(c2cc(C)n(-c3ccc(OC)cc3)c2C)=NN1C 104907371 CNEVDRNFZXXDSV-CTBAPTLKSA-N 384.549 4.640 30 40 GJEB CCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC 408927012 VEAYWQKPPFWYOH-UHFFFAOYSA-N 395.499 4.527 30 40 GJEB COc1cccc(/C=N\c2ccc(I)cc2)c1OC(C)C 409009371 DWFNHQFSUFOCGK-ODLFYWEKSA-N 395.240 4.838 30 40 GJEB C/C(O)=N\c1ccc(/N=C(\O)c2nn(CCC(C)C)c(=O)c3ccccc23)cc1 3297365 YOCVWORRSDMPJE-UHFFFAOYSA-N 392.459 4.687 30 40 GJEB N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 9233982 QECHKGHIFBQZON-CXUHLZMHSA-N 399.269 4.557 30 40 GJEB CCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O 13595863 MZYWPTPPLHUUFS-ZNVYLOEZSA-N 395.528 4.638 30 40 GJEB CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1 18196251 HJDOVWQZUYNRHH-HSZRJFAPSA-N 390.483 4.826 30 40 GJEB COc1ccc2c(c1)CCC/C2=N\OC(=O)c1cc(Cl)ccc1SC 20035535 JCXPKRVCUXREEN-HEHNFIMWSA-N 375.877 4.968 30 40 GJEB CCOc1cc(/C=N/N2C(=O)CS/C2=N\c2ccc(C(C)C)cc2)ccc1O 20175749 JRKLKSSLZMDGSM-FNUFSRGGSA-N 397.500 4.511 30 40 GJEB CN(Cc1ccc(C#N)cc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 25117791 NZNIFBCIDULOTD-UHFFFAOYSA-N 379.463 4.833 30 40 GJEB CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)nc2c1 35311895 OFHWMPWHZDNIMF-UHFFFAOYSA-N 391.496 4.853 30 40 GJEB C=CCn1c(N2CCC(C(=O)Nc3cc(F)ccc3C)CC2)nc2ccccc21 72347671 PEYZNNUWPKZBMJ-UHFFFAOYSA-N 392.478 4.525 30 40 GJEB COc1cc([C@@H]2NC(SC)=NC(C)=C2C(C)=O)ccc1OCc1ccccc1 408732512 WBUPTCCAKRAOBV-NRFANRHFSA-N 396.512 4.501 30 40 GJEB O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c(O)ccc2ccccc12 409401100 CDQJXXVDCZDDEY-UHFFFAOYSA-N 391.430 4.805 30 40 GJEB