smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 939418 HZDBWLZGGNIDPE-RQZCQDPDSA-N 393.899 5.241 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccccc3OC(=O)c3ccccc3)nc2c1 6408012 AWVCSOSNCDHLQJ-XMHGGMMESA-N 379.419 5.155 50 40 GKGB CCOC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)c(SC#N)c1C 7345712 RUKHZWZZDFGWSP-UHFFFAOYSA-N 396.493 5.212 50 40 GKGB O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N/N=C\c1ccco1 85565068 YUWLABUMFODHNB-UUYOSTAYSA-N 388.254 5.023 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc(C(=O)O)cc1 408544380 VUXTXUFDZYZFCR-WJDWOHSUSA-N 382.341 5.258 50 40 GKGB Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1F 585655900 LOLHMDRKHVSLSI-RVDMUPIBSA-N 380.806 5.593 50 40 GKGB N#CC(C#N)=C(Nc1cccc(F)c1)SCc1cccc(Br)c1 2366758 ZGTGAABUDHHYJM-UHFFFAOYSA-N 388.265 5.192 50 40 GKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccccc3Cl)s2)cc1 6199363 LXMKHPOMAOAPHX-BOPFTXTBSA-N 393.899 5.241 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)Sc1nc2ccccc2[nH]1 408599242 QQDVWTXSSZZWGT-LFIBNONCSA-N 387.420 5.178 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 948144 BLTIXHPVZMINEF-QGOAFFKASA-N 397.883 5.230 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)cc1 1239433 RHJXXPTZBWLGFD-XMHGGMMESA-N 382.492 5.897 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(F)c1 59201497 HRFXETGQDFHLNE-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB CC(C)(C)c1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(C(C)(C)C)c1O 408566966 BXSLQYUKXSQYSS-DHDCSXOGSA-N 391.490 6.067 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 4063634 OIYHFCDKNPUUKL-JLHYYAGUSA-N 386.307 6.402 50 40 GKGB Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2cccc3ccccc23)cs1 4135192 PPQXFEGFSNLWJC-GHRIWEEISA-N 385.467 6.387 50 40 GKGB Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccco2)nc2ccccc21 4136997 GFSNBQVTZDDOPT-SAPNQHFASA-N 391.434 5.083 50 40 GKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3ccccc3)c2C)cc1 4869108 KGQSZQFNBOLABD-PXLXIMEGSA-N 398.462 5.061 50 40 GKGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 223171005 VXHCHRGKYZQOFD-BKUYFWCQSA-N 399.494 5.265 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OCC)c1OC 408544284 VAQOILADOJQIGV-XDHOZWIPSA-N 387.483 5.380 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 408734158 DYOYPCUGDWRMSN-RVDMUPIBSA-N 380.806 5.593 50 40 GKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 408787644 DAODMNFSVCPRCU-LICLKQGHSA-N 398.890 5.300 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c1C 408794638 JWCRGEJAQPBEGJ-SFQUDFHCSA-N 376.843 5.763 50 40 GKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 408965431 HJCKKFHMVCZAER-ZFILKEQLSA-N 398.812 5.300 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1c1ccc(Cl)cc1 806251 UCRPWBQALDCRHT-LJQANCHMSA-N 398.853 5.101 50 40 GKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(C#N)c1 2882955 HSQNSRBETHLJOT-UYRXBGFRSA-N 378.460 5.537 50 40 GKGB C/C(=N/NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccc2ccccc2c1 5739014 WLHZCGPPNOWSOH-PTXYPZRJSA-N 381.479 5.334 50 40 GKGB COc1cc(/C=C/C#N)c(Br)cc1OCc1ccccc1Cl 6169939 VORJLFPEVRKZMS-GQCTYLIASA-N 378.653 5.227 50 40 GKGB N#C/C(=C/c1ccc(Br)o1)c1nc(-c2ccc(Cl)cc2)cs1 17186167 PBQQXRUJVBNBRP-XFFZJAGNSA-N 391.677 5.883 50 40 GKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1 17306482 NJJKPXHWIDEKGP-SDNWHVSQSA-N 381.482 5.025 50 40 GKGB O=C(N/N=C/c1cccc2ccccc12)c1ccc(N2Cc3ccccc3C2)cc1 58871924 QRRLZWXURKYIGN-JVWAILMASA-N 391.474 5.124 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2[C@@H](C)CC1(C)C 223531620 JLVJXCUPHYTCMT-YNGKYYQNSA-N 387.527 5.653 50 40 GKGB N#C/C(=C/c1cccc(I)c1)c1ccc2ccccc2c1 408550380 GTPREJIENYQTOH-ZDLGFXPLSA-N 381.216 5.509 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)cc1 408885203 XTRJCLZWTHFGMS-RCCKNPSSSA-N 386.882 5.785 50 40 GKGB Cc1ccc(C(C)C)c(OCC(=O)NN=C2CCCCCCCCCCC2)c1 4860237 ZQIWLPOOYMXKBP-UHFFFAOYSA-N 386.580 6.274 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccc(Cl)cc1Cl 33653429 DSYOWVYLDKNUOR-GRSHGNNSSA-N 392.289 6.337 50 40 GKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 100142922 VOCBYQBUFPKDOB-VBKFSLOCSA-N 385.448 5.202 50 40 GKGB ClC[C@@H](Cl)CCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100369919 IWXWHHDLRXAPJT-MNOVXSKESA-N 377.010 6.931 50 40 GKGB in-vitro CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc21 223480623 WFNXMGBOMYRGHS-JAIQZWGSSA-N 376.931 6.814 50 40 GKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408786143 FMEQWQXEHFARFU-PXNMLYILSA-N 389.282 5.004 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409044972 DZUFZLGBYNSKOJ-HGBSZDESSA-N 396.918 5.195 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 409240709 HOVHGISAYUFWSC-RNLRLKOUSA-N 396.490 5.358 50 40 GKGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)sc2c1 2740744 KQFUYGRMHHFYGX-FSJBWODESA-N 384.932 5.925 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cccc([N+](=O)[O-])c3)n2)cc1 4063683 GVAHBKISJNYHDZ-NTCAYCPXSA-N 392.440 5.094 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 6160086 XDDBASJBADFUJE-PDGQHHTCSA-N 375.472 5.431 50 40 GKGB COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc4ccccc4s3)cc2c1 7156624 SAJLVTHIONRYRN-NTEUORMPSA-N 377.856 5.571 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)c(C)c1 33654244 HZWRDZJZPUTUHV-BKUYFWCQSA-N 380.495 5.960 50 40 GKGB Cc1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 38205186 DCWATODZFRMRCH-QQXSKIMKSA-N 381.479 5.070 50 40 GKGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408771152 DMIZRYFTAUCUHQ-UHFFFAOYSA-N 381.523 5.993 50 40 GKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(N)=O 408883554 QFFDKEXVWGZJDN-OQLLNIDSSA-N 397.261 5.118 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)c(Cl)c1 409051368 LGRSSAYUAUCENB-DHRITJCHSA-N 396.849 5.130 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 2797504 PNSMNZUZXVFVJF-LGJNPRDNSA-N 399.416 5.185 50 40 GKGB CCc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@H]32)cc1 4631651 GFIZBGUBQNMXKW-WOIUINJBSA-N 384.527 5.115 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3Cl)n2)cc1 4837373 WZORDENDEVEIJT-CPNJWEJPSA-N 378.928 6.870 50 40 GKGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)N/N=C(C)/C=C/C=C/c1ccccc1 5370178 WENFLNKAANLTNN-NTCMZVGWSA-N 398.510 5.577 50 40 GKGB CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=N/NC(N)=O 5396173 SFOCYFZQHHWIRZ-AXPZCPRUSA-N 387.612 6.336 50 40 GKGB O=C(Cc1cccs1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 20819258 VASBCBCCQNSDSL-KEBDBYFISA-N 379.268 5.008 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(C#N)c1 33364506 DYHNSXGMVFTDNJ-DHDCSXOGSA-N 375.771 5.444 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccs1 59197912 CWVWIAXSQOUEKF-FSJBWODESA-N 393.899 5.168 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 98001604 POGYHUGHSXIMAQ-NCELDCMTSA-N 396.531 5.676 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2)cc1 408570231 SWEPMRPDPZKSOO-ATVHPVEESA-N 385.467 6.226 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 2849217 YXDWCIOGUJPBPQ-CPNJWEJPSA-N 390.826 5.891 50 40 GKGB Cc1ccc(COc2cccc(/C=C(\C#N)c3nc4ccccc4s3)c2)cc1 4580971 MXSSUKQWQDSLPF-DEDYPNTBSA-N 382.488 6.248 50 40 GKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 59117452 OBSRJLZHVGOPKE-RVDMUPIBSA-N 389.282 5.718 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 408874510 CULCXEUHEWBSLK-GZTJUZNOSA-N 398.890 5.245 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1cccc2ccccc12 409311435 GAPDVYJHPTXRLH-JWGURIENSA-N 395.889 7.136 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccc(C)c2)cc1 4723133 IKCLAGOQKSHUDX-JCMHNJIXSA-N 382.463 5.428 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 6209906 QALDPRGMVQQTLX-NTCAYCPXSA-N 388.298 5.385 50 40 GKGB CCOc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1 6418764 MOWFQNBCKCGQRX-DTQAZKPQSA-N 377.469 5.194 50 40 GKGB Cc1cccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 6614271 QNKQXBYVNUYVHV-GXDHUFHOSA-N 386.307 6.402 50 40 GKGB CC(C)(C)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 34254662 PKHQCIQUXQDNFV-UUYOSTAYSA-N 399.288 5.257 50 40 GKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 212112403 DKTFHDNJNYZWIJ-SDXDJHTJSA-N 382.891 5.845 50 40 GKGB O=C(N/N=C/c1cccc2ccccc12)c1cccc(N2Cc3ccccc3C2)c1 408734250 MABGQEVLEYHYOZ-JVWAILMASA-N 391.474 5.124 50 40 GKGB N#C/C(=C/c1ccc2c3c(cccc13)CC2)C(=O)Nc1cc(Cl)ccc1Cl 408767156 WARJMVDHSPRANB-YBEGLDIGSA-N 393.273 5.791 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1 408843955 ANSBMTDJNXRKMY-WOJGMQOQSA-N 392.499 5.583 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccc(C(C)(C)C)cc1 408967535 QSPLMIVFRYDXPL-CVKSISIWSA-N 391.490 5.295 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCC 409074624 UFRVAUSAFKSOAN-XSFVSMFZSA-N 390.483 5.067 50 40 GKGB Cc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2cccs2)cc1 3119488 LUGALHNKMNXIMA-OLZOCXBDSA-N 388.124 5.139 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1 4705357 IUBNSUTZOFYDAL-CJLVFECKSA-N 382.463 5.374 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cccc(C(F)(F)F)c1 4743455 OSWWMLPYUPIQDB-FSJBWODESA-N 390.386 5.214 50 40 GKGB N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)c1ccccc1F 6269966 LBNKYJPNYWBDAK-UYRXBGFRSA-N 396.421 5.591 50 40 GKGB N#C/C(=C\Nc1cccc(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 6882826 BMUBYCRIZDAJSV-JLHYYAGUSA-N 382.832 5.348 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(OC)c1 33551275 DZBMNMCOBRUMCH-VCHYOVAHSA-N 376.481 5.508 50 40 GKGB CN(C(=O)C(Cl)Cl)c1ccc(-c2csc(Cc3ccccc3)n2)cc1 1567673 BLNLIOQESFHUJY-UHFFFAOYSA-N 391.323 5.167 50 40 GKGB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c2c1 4738874 PUDVJPRUPSHFQX-GHRIWEEISA-N 383.451 5.578 50 40 GKGB CCCCCCCCCCCC(=O)N/N=C/c1n[nH]cc1-c1ccc(F)cc1 8441651 DBHZZPBZPIWDJV-KOEQRZSOSA-N 386.515 5.587 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)cc1 33698786 QTLJIBXLKNBWKJ-MOSHPQCFSA-N 386.426 5.259 50 40 GKGB N#C/C(=C/c1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 33709794 VVSDXBXIFNUQEZ-ZROIWOOFSA-N 390.817 6.546 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc2ccccc2c1 39884797 MIUULDDYZFDONC-XMHGGMMESA-N 398.849 6.299 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 59201261 XYONNIQWTHVRHB-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1 208368813 YVKRAVBVEMKSGM-BOPFTXTBSA-N 376.843 5.132 50 40 GKGB COc1ccc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 408580125 AKLXIDCMLMMPKD-HAVVHWLPSA-N 391.470 6.492 50 40 GKGB CC(C)c1ccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 4923419 GJINJUMFTZQGPI-HXUWFJFHSA-N 389.524 5.029 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccccc1 4995255 UZBGTSGUTJBUGX-FOWTUZBSSA-N 393.899 5.876 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)cc1 6712608 WRJIYWHGIABKCF-MOSHPQCFSA-N 387.439 5.465 50 40 GKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCc1ccccc1)c1ccc(Cl)cc1 9324439 HNNGNCROTMSTHA-XDHOZWIPSA-N 390.826 5.891 50 40 GKGB C/C(=N/NC(=O)c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 12362201 ITEYEXDWGYGBDD-HAHDFKILSA-N 393.284 5.270 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1C 13773975 ZAJQAMXKYFIWSO-KGENOOAVSA-N 387.552 6.602 50 40 GKGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1cc2ccccc2cc1O 20243993 WFWYBADZLJZXOA-PCLIKHOPSA-N 382.419 5.102 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl 408794769 SWGRAGWBNLVUMV-CXUHLZMHSA-N 399.277 5.168 50 40 GKGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1 408847619 NTPQBZWAOZYYOM-VKAVYKQESA-N 381.401 5.626 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 2127164 VOSMIMJSQXRDMX-UIOOFZCWSA-N 398.442 5.475 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 6209333 CXMYWQWWMJWTBF-IZZDOVSWSA-N 385.172 5.558 50 40 GKGB Cc1c(/C=C(\C#N)c2cccc3ccccc23)c2ccccc2n1Cc1ccccc1 6414892 WOYSQMKAURPCIX-HKOYGPOVSA-N 398.509 7.215 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccccc1F 59109658 SDOWUIMFIFPDKI-AQTBWJFISA-N 390.389 5.089 50 40 GKGB O=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1ccc(Cl)cc1 4502161 ZGPRCNQHNVHOCX-CFRMEGHHSA-N 399.277 5.054 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1Cl 5584345 WOXFVUKIMNEQIL-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1 5774402 GKGKNRXHVGTUES-GXDHUFHOSA-N 393.786 5.054 50 40 GKGB COC(=O)[C@@]1(CCCCCBr)CCCCCCCCCCC1=O 6385044 KAFMNJQGYAERTN-LJQANCHMSA-N 389.374 5.585 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccccc1 8113707 OLAPNENQQIUUTA-KQWNVCNZSA-N 391.470 6.492 50 40 GKGB CC(=O)Nc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 12765672 MLYKEYBMHAGHDT-MHWRWJLKSA-N 379.872 5.486 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C 223543019 RMARRECBGBDKSK-MMDHUZEPSA-N 397.950 5.605 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C 408566584 ANXZWVFXOLMVNP-ODLFYWEKSA-N 384.458 5.791 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc(Cl)c1 408599577 WRAUGSKFEPRMPW-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408799045 GRUJXTZSBFSUGV-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB N#C/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 6320928 KQQAFRDHQCLARV-OWOJBTEDSA-N 383.072 5.872 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@@H]2CC[C@@]1(C)C2(C)C 70664904 LSQKTLIPGPORGO-GKVQRAMASA-N 390.564 5.610 50 40 GKGB N#C/C(=C\c1csc(-c2ccco2)n1)c1nc(-c2ccc(Cl)cc2)cs1 96401875 AMEWJQWQKSINAN-MDWZMJQESA-N 395.896 6.244 50 40 GKGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 211574305 SUXOFRZKRJXZFB-UYRXBGFRSA-N 378.472 5.037 50 40 GKGB CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NC(=O)N1 409371643 IZEIFVQETSEOTQ-LJQANCHMSA-N 395.890 5.097 50 40 GKGB CSc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 33351077 MDSLGDALKCZLRV-XYGWBWBKSA-N 397.503 5.388 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc21 208203202 XHXRZMGZJNXHQR-PACYTGELSA-N 395.344 6.235 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1cccc(Cl)c1 408598999 NHVLJAWGKMLVGB-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB Cc1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 408969641 RJVYTLQRMXJAHR-WNFQYIGGSA-N 397.714 5.934 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 2848564 BXADWASHGXBABM-SDNWHVSQSA-N 398.896 6.525 50 40 GKGB C[C@@H]1CCC/C(=N\NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 6314396 ZTYNXDPSOQTQJD-OCDBCJEZSA-N 392.528 5.151 50 40 GKGB C=CCn1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 33333089 WPBYXCPKBXBZSV-YSMPRRRNSA-N 393.446 5.491 50 40 GKGB O=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1cc(-c2ccccc2Cl)nc2ccccc12 33960880 BZPHKHGNPSCJQQ-ZFGPKEMSSA-N 389.886 5.461 50 40 GKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 207148759 XSDDOLHJXQKJSZ-XNTDXEJSSA-N 389.282 5.636 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3cccc(Cl)c3)cc21 208245795 JMFXKHBKJMVAOW-XPGOGFAUSA-N 385.338 6.780 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCc3ccccc3)c2C)cc1 409249570 NNASHXYXTYWJIX-JJIBRWJFSA-N 397.522 5.059 50 40 GKGB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Br)c1ccccc1 3135195 UEERJPPLSNDSCW-ZDUSSCGKSA-N 392.602 5.434 50 40 GKGB CCCCCC1CCC(C(=O)NNC(=O)c2ccc(OCCCC)cc2)CC1 4321509 NXVFYGBALITRQH-UHFFFAOYSA-N 388.552 5.013 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 6209341 DPQNZJQKJXKORW-JXMROGBWSA-N 385.172 5.558 50 40 GKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 58927850 GPNPICODSRHAGE-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 208320729 PNYPLRKUHIGAKJ-FRQJIFLKSA-N 397.950 5.524 50 40 GKGB O=C(Cl)c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226340253 LPLPBJPJMFTPFP-UHFFFAOYSA-N 394.479 5.714 50 40 GKGB COc1cc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c(OC)cc1Cl 948320 ZDAJAWWQYJRUQW-SXGWCWSVSA-N 384.863 5.026 50 40 GKGB N#C/C(=C/c1ccccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4174964 NFQICBGNWIXJMW-QPEQYQDCSA-N 375.255 6.320 50 40 GKGB O=C(Cc1cccs1)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 4504802 VASBCBCCQNSDSL-JMIUGGIZSA-N 379.268 5.008 50 40 GKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC 209488589 IZTQOJUCQQYVEP-WOJGMQOQSA-N 398.300 5.785 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)O 408548652 KMIJDLFXMOVTEY-LSCVHKIXSA-N 393.826 5.029 50 40 GKGB CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc21 409244601 GBLNZTVDSUOQNY-DSPRMBBKSA-N 385.511 5.268 50 40 GKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](Cl)c1ccccc1 3269779 RUAYRFOIOHQJFR-GOSISDBHSA-N 399.899 5.510 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 5728062 SIKWNTDBFYYASQ-RVDMUPIBSA-N 395.304 5.236 50 40 GKGB C[C@@H](C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100009216 GMFWRKIIXJXFOG-QFIPXVFZSA-N 395.462 5.252 50 40 GKGB CC(C)=C1[C@@H]2c3c(F)c(F)c(F)c(F)c3[C@@H]1[C@H]1[C@@H](Cl)C=C[C@@H](Cl)[C@H]21 104292102 CCWKSRTXLNRHSM-RRUSDASESA-N 377.208 5.791 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c1C 408966554 MDKKXGRPTGQXNI-STZFKDTASA-N 394.440 6.740 50 40 GKGB Cl[C@@H](CC[C@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 2539150 NRBGXCOKLPAQMS-WDSKDSINSA-N 389.792 6.502 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccccc1F 6453873 ARGMONOPELADSX-PDGQHHTCSA-N 377.390 5.617 50 40 GKGB COc1ccc(N(CC2CCCCCCC2)C(=O)CCl)cc1C(F)(F)F 199757479 ZMMJIOFLVMOXII-UHFFFAOYSA-N 391.861 5.646 50 40 GKGB CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br 408578893 BOSBCFNVPXCIPU-KPKJPENVSA-N 397.099 6.219 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1nc2ccccc2[nH]1 408776785 ZASSBZUCEXIEET-LCYFTJDESA-N 389.798 5.239 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Cc2cc(C)cc(C)c2)c1 408866859 HBIDPIVATOOCML-HZHRSRAPSA-N 396.490 5.449 50 40 GKGB COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc(C#N)cc3)o2)ccc1Cl 409369382 LPEYCEJYIZZKAA-YVLHZVERSA-N 388.810 5.322 50 40 GKGB O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1ccccc1 4814073 CQTOTUYJTCGKRB-OVFURWPXSA-N 394.434 5.725 50 40 GKGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3c(F)cccc3Cl)sc2c1 6279317 QZXUOOBCNSEOMU-ODCIPOBUSA-N 381.259 5.420 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)cc1 33660469 RVRNNTPVDSKKCL-ZHZULCJRSA-N 396.494 5.742 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1cccc(Br)c1 59678748 IJRUIBSEXMZDFX-QINSGFPZSA-N 383.676 5.957 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(Cl)cc1 408783958 PQEVJXLGKAHJPT-LFVJCYFKSA-N 394.927 5.786 50 40 GKGB Cc1cccc2c([C@@H](O)CBr)cc(-c3ccc(Cl)cc3)nc12 1595067 TWXDHENIQLOVGO-KRWDZBQOSA-N 376.681 5.292 50 40 GKGB Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1 104094151 BNDYYSUVBKDMNC-UHFFFAOYSA-N 382.487 5.530 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1Cl 172691193 DRTUYLCGCSOIPU-YRNVUSSQSA-N 381.646 5.201 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Cl 408789179 HJXWEWYVEJMIMI-OQLLNIDSSA-N 389.282 5.500 50 40 GKGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC 408899199 ZURWDKVKHCZYFN-MHWRWJLKSA-N 392.842 5.056 50 40 GKGB CC(=O)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 409019523 JOJFSJJTJNQPMD-FOKLQQMPSA-N 387.266 5.196 50 40 GKGB CN(CCCl)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1702146 LNHDCNKPXHCYKO-UHFFFAOYSA-N 395.930 5.515 50 40 GKGB Cc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(C)c1 3090572 WGQBOSSMECJKBR-CVKSISIWSA-N 382.463 5.139 50 40 GKGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 5845383 PKWSWTCDJJUGEI-CXUHLZMHSA-N 389.282 5.004 50 40 GKGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)cc1 33699220 UDGYWKLLBYDASI-LDADJPATSA-N 397.434 5.291 50 40 GKGB CCOc1ccc(Cl)cc1/C=C(C#N)/C(O)=N/c1nc2ccccc2s1 41120676 HSZRMYVUNSHSAB-UKTHLTGXSA-N 383.860 5.544 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)C)C[C@H]2C[C@H]1[C@H](C)C2(C)C 106906014 OBEDIMGIHQHZOK-DDOIHHOZSA-N 376.537 5.075 50 40 GKGB biogenic CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 408550842 KFXFZTKJWUVPKB-SJJOQSKNSA-N 391.898 6.743 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408581809 ZMCUUIFDDRZYNU-WUXMJOGZSA-N 382.674 6.118 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)cc2)cc1 408882491 QDUVLHCNXAEJJY-KOEQRZSOSA-N 394.518 6.002 50 40 GKGB O=P(/C=C/n1c2ccccc2c2ccccc21)(c1ccccc1)c1ccccc1 3175630 RCQBVAURQVBZJU-FMQUCBEESA-N 393.426 6.237 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)c2C)cc1 3333851 WDPKGROXWWQNNX-HYARGMPZSA-N 383.495 5.565 50 40 GKGB CCOC(=O)c1c(CCl)nc2sc3c(c2c1-c1ccccc1)CCCC3 3394920 BYNRIYBRFIFQIO-UHFFFAOYSA-N 385.916 5.758 50 40 GKGB CCc1ccccc1NC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 8088491 VHUXPZUCXIOCJZ-XKZIYDEJSA-N 399.903 5.802 50 40 GKGB COc1cc(C)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1C(C)C 8333774 OCVYSCBQRAPPRX-SSDVNMTOSA-N 390.936 5.023 50 40 GKGB N#C/C(=C\c1ccc(Oc2ccccc2)cc1Cl)c1nc2ccccc2s1 41157485 BUKCBVWLSMGPDI-FOWTUZBSSA-N 388.879 6.806 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(F)cc1 107823140 DGWKYWUBDVBWQE-PDGQHHTCSA-N 377.390 5.617 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2[C@H](C)CC1(C)C 208313559 YNRHBZAVCNBQCQ-RXWSAZGZSA-N 387.527 5.653 50 40 GKGB CCOc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccc(Cl)cc1 226361358 XHDIGYOOWUCUMQ-VMPITWQZSA-N 385.674 5.750 50 40 GKGB CCOc1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408973025 RLDICBGEYMEJMM-FBHDLOMBSA-N 393.295 5.371 50 40 GKGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 409011301 GZFNJNVABWQVQO-FOKLQQMPSA-N 387.266 5.196 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 1977635 DSEZJEUBKLOAAH-XMHGGMMESA-N 380.444 5.627 50 40 GKGB O=C(COc1ccc(Cl)cc1Cl)NN=C1CCCCCCCCCCC1 5816253 NGWPVWWRLPITQD-UHFFFAOYSA-N 399.362 6.149 50 40 GKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)o1 13450928 LSUYGNHACGTMGL-ZROIWOOFSA-N 398.245 6.324 50 40 GKGB CCCCCC[C@H](Br)C[C@](F)(Cl)C(F)(F)Br 59188658 IVXKUGOCECZHGU-DTWKUNHWSA-N 388.493 6.003 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1 408745494 MUPRDGUTNLHUBP-QGOAFFKASA-N 375.859 5.293 50 40 GKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 409058740 STXLKETTZHGTID-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 5773813 NLKDUIYWBXEPBD-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)c1cccc2ccccc12 6496603 MBZUYMZQKQPQFC-JWGURIENSA-N 379.434 6.622 50 40 GKGB Cc1sc2nc(SC[C@H](Cl)CSc3ccccc3)[nH]c(=O)c2c1C 16779235 IJACVLITPOMRJH-GFCCVEGCSA-N 396.990 5.093 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)cc1 33912217 PYXBLMBAUZFWOP-ZHZULCJRSA-N 386.426 5.259 50 40 GKGB COc1ccc([C@@H]2CCCCN(C(=O)CCCC[C@@H]3CCSS3)C2)cc1 206885278 SBQKXCNYEREHNZ-UYAOXDASSA-N 393.618 5.505 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408734769 JMXWQLHGAFVQHW-GHRIWEEISA-N 390.870 5.746 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl 408791682 ATKIFTFRAUJXGL-CXUHLZMHSA-N 399.277 5.168 50 40 GKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1CC=C 408983689 NLFCPUXQMBKFNW-RGEXLXHISA-N 392.886 5.487 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(Cl)cc3Cl)cc2)cc1 409241799 YQXQMPVUXNHFBY-ATVHPVEESA-N 396.342 7.517 50 40 GKGB Cc1ccccc1Cn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 409355797 LKAUCDSFZDZONR-STZFKDTASA-N 393.446 5.970 50 40 GKGB C[C@@H](Cl)C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C 2294019 ZHQQSGSXSNYTQK-SPLOXXLWSA-N 376.327 5.789 50 40 GKGB N#CS[C@H](CC(=O)c1ccccc1)[C@@H](Nc1ccc(F)cc1)c1ccccc1 5604229 RDCOHIZNJNPQHY-PKTZIBPZSA-N 390.483 5.835 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 6971144 IXTZKVBDMFTUIA-QINSGFPZSA-N 394.228 5.212 50 40 GKGB CCCCCCSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 13284575 HMFCWRBZGPZMBQ-OAQYLSRUSA-N 380.557 5.738 50 40 GKGB Cc1ccc(/N=N\c2ccc(O)c(/C=N/NC(=O)Cc3ccccc3)c2)cc1C 101667782 LPXYHWPYLUVHFF-FLWJXKKKSA-N 386.455 5.117 50 40 GKGB C(=C\c1ccccc1)\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104134327 FCSZSFWEBDTZLL-SSZFMOIBSA-N 380.471 5.426 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408725609 MOONGCVCXJJICZ-SPZLVNBKSA-N 391.298 5.530 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)c1C 408965436 HKWBRSZAJYROEO-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCC 409063780 AARFUHNNYJYQEW-SFQUDFHCSA-N 396.874 5.021 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 409093584 AXXHVCWXCLEYSW-ATVHPVEESA-N 382.315 7.209 50 40 GKGB ClC1=C(Cl)[C@]2(Cl)C[C@H](CBr)[C@@]1(Cl)C2(Cl)Cl 2517055 DAASOABUJRMZAD-NRYKZSQYSA-N 393.750 5.233 50 40 GKGB in-vitro N#C/C(=C/C=C\c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 17186303 RVCIGHSIYYNVHY-FIRJLRIKSA-N 390.511 7.097 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(F)c1 59137237 PSXSCPGPUSRFFD-BOPFTXTBSA-N 393.849 5.432 50 40 GKGB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(/C#N)c2ccccn2)c1 49573534 CWAFYMTYVAZEHC-AQTBWJFISA-N 396.425 5.146 50 40 GKGB N#CSc1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 67339410 WDLUVBMHHCOELR-XBXARRHUSA-N 399.269 5.420 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2F)cc1 98001432 IEFTWPLZLWEQHO-LGUFXXKBSA-N 398.522 6.109 50 40 GKGB CCCCCCCCCCC/C(=N\NC(N)=O)c1c(O)ccc2ccccc12 100166585 IAQHQRQGQLXZHX-LKUDQCMESA-N 383.536 5.839 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 408789730 KNTPMXCJXAFQIV-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB CCN(CC)c1ccc2cc(/C=C/C3=CC(=C(C#N)C#N)CC(C)(C)C3)oc2c1 685944643 QUSAIZFWTIGXKY-JXMROGBWSA-N 385.511 6.382 50 40 GKGB N#C/C(=C\c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1nc2ccccc2s1 98054927 PXDWEUYWQZTUNJ-SDNWHVSQSA-N 396.397 5.565 50 40 GKGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1 408605229 XQEZVSNKHNPBDO-JZCUADNKSA-N 386.451 5.527 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408735809 XZYOYEIQGPZTHK-LFIBNONCSA-N 376.843 5.356 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2C)cc1 408754709 LHWFMBTWPIHDFS-UNOMPAQXSA-N 395.333 7.028 50 40 GKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1 409045884 JISCRQYUBIHGGT-NTEUORMPSA-N 375.255 5.328 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl 409220595 BXSDUDNKPXXGHY-LCJWNIEWSA-N 396.918 5.173 50 40 GKGB CC(C)(C)C1=C(C#N)[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)NC(=O)N1 409370578 ALLPADUGUKHGFA-IBGZPJMESA-N 395.890 5.097 50 40 GKGB CCN1c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2C(C)=CC1(C)C 208516372 VCYKMIMJIOJIND-MYYYXRDXSA-N 387.483 5.219 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)c1C 409008282 VAJJCLIMSBRIMM-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Br)o1 671833 JGDVYFVADWPDDG-WSDLNYQXSA-N 393.240 5.112 50 40 GKGB CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 3079790 QVYQHLRYGMCNAH-CHOFVFFHSA-N 393.314 5.426 50 40 GKGB COc1cc(C=C(C#N)C#N)ccc1OCCOc1cc(C)ccc1C(C)C 4511130 RJAHWIRIELTRIT-UHFFFAOYSA-N 376.456 5.015 50 40 GKGB Cc1oc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)c(C#N)c1C 5028261 NAPUJOHOSNNFEY-VCHYOVAHSA-N 381.439 5.116 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 6217009 NOHGOMLEQVDYFI-FOWTUZBSSA-N 396.368 5.820 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NC1CCCCC1 6220524 BPQGFBITAVHRMY-NTCAYCPXSA-N 388.389 5.321 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21 208239379 KILXOALMHDESMI-CIKBWMHTSA-N 390.918 6.002 50 40 GKGB COc1ccccc1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 4844223 IVSPMWDMVAEUBR-JYRVWZFOSA-N 387.291 6.190 50 40 GKGB CCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 19879941 HTBIWHGQMIRGGY-KRWDZBQOSA-N 390.936 5.131 50 40 GKGB Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4ccccc4)cs3)ccc12 100752086 GTSSGPOLPGSTPH-FOWTUZBSSA-N 385.448 5.202 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc2[C@H](C)CC1(C)C 208315807 SJQCSQVCKVESJC-RXWSAZGZSA-N 387.527 5.653 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)c(Cl)c1 408588351 VQOUWCJTBQMIMS-NTEUORMPSA-N 385.206 6.226 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)c(C)c1 408878090 ZOMMRPNKXHZVGC-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c(C)c1 408992395 AZQCUIBWQMRCCF-YUMHPJSZSA-N 395.506 5.628 50 40 GKGB CC/C(Cc1ccccc1)=N\NC(=O)c1ccc(CNc2ccc(F)cc2)cc1 5614148 ZURXDOABGJSYTB-HPNDGRJYSA-N 389.474 5.176 50 40 GKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1O 12776592 NMCKDYUPOZGXEP-VGOFMYFVSA-N 398.871 5.250 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1Cl 18039889 DNXVVMCZYPZQEI-LSHDLFTRSA-N 377.202 5.156 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCc1ccccc1 34897197 XQYZNNWERUXMKR-MOSHPQCFSA-N 395.462 5.523 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)o2)cc1 59137893 AQABQNHGYWHISY-QINSGFPZSA-N 394.883 5.938 50 40 GKGB COC(=O)c1cccc(Cn2cc(/C=C(\C#N)c3ccccc3)c3ccccc32)c1 408540588 AFEFILHCXAQYSU-PXLXIMEGSA-N 392.458 5.540 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C 409008479 WWACMIQXQZBNIU-PGMHBOJBSA-N 398.506 6.181 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(OCCC)c1 3249172 KVFCUOJNGTUYMN-ISPGYRLHSA-N 392.499 5.049 50 40 GKGB C/C(=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 4807736 QDJBSHPACAFQLD-FXTYVIBOSA-N 388.898 5.186 50 40 GKGB N#C/C(=C1\C=C(Br)/C(=N\O)C=C1Cl)c1cccc2ccccc12 16955534 BJDKZONPNOGIEO-MPRWPCGUSA-N 385.648 5.362 50 40 GKGB CC(C)CCOC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 44932795 TZACPFQIAJULQX-LCYFTJDESA-N 378.255 5.750 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 58871134 OIDQMPKDOIMPBU-PCLIKHOPSA-N 392.886 5.002 50 40 GKGB N#Cc1ccccc1OCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 102083061 RBWFQUQTCQQGRE-UHFFFAOYSA-N 378.322 5.233 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 107895894 GVPIUNRCHNUCQN-AFUMVMLFSA-N 385.467 5.148 50 40 GKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)c2ccc3ccccc3c2)c1C 408547836 AFFKEEOBXKERIJ-IWIPYMOSSA-N 396.921 7.273 50 40 GKGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Oc3ccccc3)c2)[C@@H]2CCCC=C12 1065439 GWWULIWUWIAJLT-GGAORHGYSA-N 392.462 5.073 50 40 GKGB N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1)Sc1ccccc12 3623982 ZADYWCRTBHOBSL-KRWDZBQOSA-N 397.290 5.132 50 40 GKGB C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1Cl 4085019 BPESAHNIMJXMKU-NKVSQWTQSA-N 397.714 6.016 50 40 GKGB Cc1ccccc1OC[C@@H](Cl)CSC[C@H](Cl)COc1ccccc1C 5549274 NMVAPAHWJXYWRQ-QZTJIDSGSA-N 399.383 5.709 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 5946842 PUGFOYMHVXTPAC-YDZHTSKRSA-N 387.266 5.336 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 9973150 LVQYMLRLHOGQHL-HAKPAVFJSA-N 398.890 5.380 50 40 GKGB N#C/C(=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)c1ccccc1 33714827 FJNHSBYKKFAGDN-ATVHPVEESA-N 388.354 5.316 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 2784902 MBTPUAATKMKGFF-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB N#CS[C@@H](CC(=O)c1ccccc1)[C@H](Nc1ccc(F)cc1)c1ccccc1 5604353 RDCOHIZNJNPQHY-XZOQPEGZSA-N 390.483 5.835 50 40 GKGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 5720433 OUPYWDFQPBDEIF-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 5744482 JGIDWBUJJFZVNS-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 6427291 NENHQPODKQDHNE-XSFVSMFZSA-N 392.499 5.427 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(C)c1 20194771 NRLGRGWQNXJUHN-AFUMVMLFSA-N 393.918 5.057 50 40 GKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 33405713 JJOICDDVNGPXJP-PTNGSMBKSA-N 388.298 5.385 50 40 GKGB CCCCCCC/C=N/NC(=O)c1ccc(NC(=O)CCCCCCC)cc1 98001336 VABNXVDPQUZDBW-LYBHJNIJSA-N 387.568 6.062 50 40 GKGB biogenic CCCCCCCCCCCC[C@H](I)CC(F)(F)F 103528405 TXZJOOJFIBQNMC-AWEZNQCLSA-N 392.287 7.053 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 408542935 LXIIUVSVXNHONY-OLWAXZHHSA-N 385.847 5.288 50 40 GKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)c1 408789173 KIIFFFYNQYYHCB-ZHZULCJRSA-N 398.462 5.812 50 40 GKGB ClCCN(CCCl)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 722221 HWWKSWLIWUVSEG-MRXNPFEDSA-N 386.775 5.868 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c(C)c1 20194768 KWZJYNNSKOOESW-AFUMVMLFSA-N 393.918 5.057 50 40 GKGB N#C/C(=C/c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 31934158 LWWXLOFFFGOCDC-HKWRFOASSA-N 380.472 6.667 50 40 GKGB CCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1C 408537428 FAKDGXYQJZOSNG-RGEXLXHISA-N 396.918 6.153 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cccc(C#N)c1 408567994 RHVQHHKDQWIOFF-NHDPSOOVSA-N 381.391 5.110 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(C(C)C)cc1 408747310 LXYXVAOQSKKKIB-IWIPYMOSSA-N 397.522 5.441 50 40 GKGB CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)ccc21 408863391 MJPSEZANNYROBE-SFQUDFHCSA-N 399.881 6.013 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NC1CCCC1 18173311 XWMYSAJVJGNXCI-UKTHLTGXSA-N 375.255 5.219 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 33347193 RVJVRLCAWPEJTF-UYRXBGFRSA-N 390.826 5.891 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1C 36638792 YVJPCFYKSQGBFY-PXNMLYILSA-N 377.425 5.105 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1 408581589 JESBQUHESISPGA-KGENOOAVSA-N 398.462 5.085 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408583975 ZARBIJXPVPUJQJ-DEDYPNTBSA-N 389.426 5.486 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 408744798 NAIFTRVWGUEDNC-HAHDFKILSA-N 397.522 6.072 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 408884769 ZPTQPDBRBUOYQL-PCLIKHOPSA-N 394.518 6.057 50 40 GKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C 408913078 SJSHQSCDQSWJBZ-JAIQZWGSSA-N 390.870 5.818 50 40 GKGB O=C(CCSc1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 685641 YXWOLVONCIAGIZ-HAVVHWLPSA-N 376.481 5.111 50 40 GKGB Cc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)n2)cc1 948307 UHEQHGSOOXYBBC-UDWIEESQSA-N 387.508 5.788 50 40 GKGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl 3324149 PKSVJLBWIUIWJB-XFFZJAGNSA-N 396.071 5.302 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc2ccccc12 6496622 SIHPDTBDLMRYCR-JCMHNJIXSA-N 395.889 7.136 50 40 GKGB CC/C(=N/NC(=O)[C@H](C)Oc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 17079428 CFABYVZREYHJLH-DZRGENDHSA-N 388.939 5.206 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1O 25608261 BORDWKFHQNZVIO-DHDCSXOGSA-N 382.872 5.632 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(C)C 59232994 YUQQECVFELOVHT-LICLKQGHSA-N 398.890 5.380 50 40 GKGB O=C(N/N=C/c1cc(-c2ccccc2)oc1Cl)c1cc2ccccc2cc1O 2166496 YFWKCUGGAWGQRJ-ZMOGYAJESA-N 390.826 5.223 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(F)c1 3044765 KDPTVGFSTMXPTH-LSHDLFTRSA-N 377.202 5.156 50 40 GKGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 3079792 QVYQHLRYGMCNAH-XMTZNVEYSA-N 393.314 5.426 50 40 GKGB N#C/C(=C/c1cccc(Cl)c1Cl)c1nc(-c2ccc(Cl)cc2)cs1 4175077 RYEVDGANFHYSAT-JYRVWZFOSA-N 391.710 6.834 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 12437153 JGSVYPQYYKAXJW-OQLLNIDSSA-N 390.851 5.634 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 108245699 DBBFQCZTFBBOCC-IWIPYMOSSA-N 395.889 7.136 50 40 GKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC(C=O)=C(Cl)[C@@]4(C)CC[C@@H]32)C1 267329343 UCTLHLZWKJIXJI-RMLDPDKQSA-N 376.924 5.183 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2ncccc2c1 408965150 HBHFKAFQTJMCQA-STZFKDTASA-N 392.462 5.188 50 40 GKGB O=C(N/N=C\c1cccnc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408971618 KGEBSQMTMQKENJ-SCDVKCJHSA-N 384.675 5.020 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)o1 2109790 PDERFPFCXNMZCX-CVKSISIWSA-N 397.478 5.691 50 40 GKGB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)CCCCl)cc12 3177926 ZOIGLRHYNVURQX-UHFFFAOYSA-N 386.831 5.201 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3C)n2)cc1 4825200 TTZCJIXKNIOJOP-PTNGSMBKSA-N 381.888 5.757 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 6474489 VKJMGWKIJGPEPI-BKUYFWCQSA-N 389.882 6.300 50 40 GKGB C=COCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 6879304 OVUPJMRVPOWPQU-RGVLZGJSSA-N 388.492 5.851 50 40 GKGB O=C(N/N=C\c1cccc(Cl)c1Cl)C1c2ccccc2Oc2ccccc21 28632530 QOOXDWKODBCGST-MSXFZWOLSA-N 397.261 5.381 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(O)cc1 408797811 TUMYGVSEYCTGCA-FMIVXFBMSA-N 399.233 5.505 50 40 GKGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl 3286734 NEDZZZYXNQFQOY-NTEUORMPSA-N 375.255 5.326 50 40 GKGB COc1cc(C)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 4071049 QDWPDOGXPHDPQF-FOWTUZBSSA-N 392.842 5.463 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC)cc3)n2)cc1 23114579 HZWQHNMWWKAXNG-QGOAFFKASA-N 389.480 5.136 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c(F)c3)n2)cc1OC 90427212 DSDXGVVISARFJT-JLHYYAGUSA-N 399.422 5.082 50 40 GKGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1 409186590 FFZLUOFDLCLXSD-YVLHZVERSA-N 389.373 5.100 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl 409250828 YHHNFWVLMFXMIE-PYNDNQFYSA-N 382.891 5.302 50 40 GKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccccc2F)c1C 6571381 QVNYMMWHDBATNZ-BOPFTXTBSA-N 380.850 5.959 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 6969934 RSTJWMDLADVMFP-PTNGSMBKSA-N 394.228 5.212 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)c1ccccc1F 33628363 BDPMEWWGOBTOPC-KQWNVCNZSA-N 379.434 6.622 50 40 GKGB CCCCCCCCC(=O)N/N=C/c1ccc(OCCCCC)c(OC)c1 97965643 JZDVRPOLRKHNFX-PTGBLXJZSA-N 376.541 5.465 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)Cn1cnc2ccccc21 408691957 ZVZSZKQOGIJSEK-UYRXBGFRSA-N 399.881 5.876 50 40 GKGB CC(C)(C)c1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(C(C)(C)C)c1O 408818248 ZTTXCXPHLPRMDN-QFEZKATASA-N 392.499 5.497 50 40 GKGB ClCCN(CCCCCCN(CCCl)c1ccccc1)c1ccccc1 4774303 GGTMCIZDINGNCZ-UHFFFAOYSA-N 393.402 6.038 50 40 GKGB N#C/C(=C\Nc1ccccc1F)c1nc(-c2cc3ccccc3oc2=O)cs1 5044366 PQYQHNCKGDMJFB-SDNWHVSQSA-N 389.411 5.032 50 40 GKGB CCOc1cc(Cl)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCC 6380791 JYARACMKSOTFMW-DHDCSXOGSA-N 381.863 5.386 50 40 GKGB O=P(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 95676480 GJBIMMKVOGMMLP-UHFFFAOYSA-N 381.626 5.286 50 40 GKGB CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1 408540238 OXZYDBACZLVNAZ-UCQKPKSFSA-N 393.314 5.716 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3217453 JJOICDDVNGPXJP-RVDMUPIBSA-N 388.298 5.385 50 40 GKGB N#C/C(=C/c1ccccc1Br)Sc1ccc(Br)cc1 3309614 CCFCIQYNCHEWKD-ZROIWOOFSA-N 395.119 5.868 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(C)o1 5754154 YBYDFEVZVOXMHN-BUVRLJJBSA-N 389.480 5.327 50 40 GKGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 12469938 QMIBLFVZWKGSBK-ZSOIEALJSA-N 375.255 5.326 50 40 GKGB CC1(C)OC12[C@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@H]2[C@H](Cl)C=C[C@H](Cl)[C@H]21 104292139 FXYSLPGYEHXPHE-QKNJRXMLSA-N 393.207 5.002 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)nc2c1 107625122 OPKQKAOKPAFUAS-PTNGSMBKSA-N 383.407 5.202 50 40 GKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408804857 ZTVIWARCGAWPID-FFPCDBBZSA-N 396.575 5.589 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1O 409361419 SJQHJZXGZISRIQ-QPEQYQDCSA-N 378.653 5.271 50 40 GKGB COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c1OC 35189481 WCFOYAHFBVMXRY-GZTJUZNOSA-N 376.481 5.508 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 59137163 QKFIDLFQCPXBFL-ZHZULCJRSA-N 387.458 5.341 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1C 408598779 BCAAGHYHFRLKTR-WGOQTCKBSA-N 387.527 5.464 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccc(C)nc34)n2)c(C)c1 1259902 PRXYFRXBGSAGPI-CPNJWEJPSA-N 396.519 6.260 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 1912675 LVFXHFSGAAICLB-QGOAFFKASA-N 389.480 5.145 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 6410972 PROOXSALZFLKAB-RVDMUPIBSA-N 389.282 5.718 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)c1 408762393 OMGFPTVYBSIMFQ-WGOQTCKBSA-N 381.479 5.320 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccccc1Cl 408858211 NNRFAJNKIAOIMK-FSJBWODESA-N 386.282 5.165 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)c1 408874135 ZAIYPOWSOLNDBM-LFVJCYFKSA-N 380.491 5.748 50 40 GKGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 408878031 VQCIKBZGKZNDTC-LZYBPNLTSA-N 399.288 5.010 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409044974 DZUFZLGBYNSKOJ-MSIWHDFOSA-N 396.918 5.195 50 40 GKGB N#C[C@@H](C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 409205233 APIDTGBMULXTMG-FQIOEHTJSA-N 398.249 5.011 50 40 GKGB Cc1c(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1 409374582 UGFRCGRJLIVZHX-HKWRFOASSA-N 388.474 5.939 50 40 GKGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1778147 GBFBDHMLASXESV-SDNWHVSQSA-N 397.887 5.457 50 40 GKGB Cc1cccc(Cl)c1NC(=S)P(=O)(c1ccccc1)c1ccccc1 2577603 YLUDPULAEFVKBB-UHFFFAOYSA-N 385.856 5.359 50 40 GKGB N#C/C(=C/c1ccccc1Br)c1nc(-c2ccc(F)cc2)cs1 4174979 MBDWXMAIYAXHEK-ZROIWOOFSA-N 385.261 5.776 50 40 GKGB N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1cccc(Cl)c1Cl 8972466 OZAINPBDHDAHCK-CQSZACIVSA-N 389.307 5.265 50 40 GKGB N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)c1nc(O)c2ccccc2n1 9012779 WNXOQJMMZGSSBU-ACCUITESSA-N 396.431 5.269 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 57838124 PVMCIKWMMQFBQE-ZATLWTINSA-N 386.495 5.097 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Cl)cc1 59534501 UMJZROBUMHNSAJ-GZTJUZNOSA-N 395.915 5.032 50 40 GKGB N#C/C(=C/c1ccc(I)o1)c1ccc(Cl)c(Cl)c1 408585720 HNYKTPALCRRKCZ-UITAMQMPSA-N 390.007 5.255 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccccc1 408771614 JSAVDMUPLVITAN-UNOMPAQXSA-N 377.285 5.921 50 40 GKGB Cc1cc(/C=C(\C#N)c2cccc(F)c2)c(C)n1-c1ccc(Br)cc1 409391102 HDAHSQLUJUFVRK-WOJGMQOQSA-N 395.275 6.060 50 40 GKGB CCCCC(O)(CCCC)C(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1 2305386 YWGXFFQGPXOEPX-UHFFFAOYSA-N 382.548 5.775 50 40 GKGB CC(C)O[P@](=O)(CCl)OCCCCO[P@@](=O)(CCl)OC(C)C 4917306 UPPHLVLSXDATPC-VXKWHMMOSA-N 399.188 5.429 50 40 GKGB COc1ccc2nc(/C(C#N)=C/c3cc(C)n(Cc4ccccc4)c3C)[nH]c2c1 9263619 QONGEIIOPQCQAV-UDWIEESQSA-N 382.467 5.102 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C(C)C)n2)cc1 13774655 BQSUJQMRTOROBZ-LGMDPLHJSA-N 375.497 5.919 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Cl 408820351 XBUDPXGZZKVVNE-ATVHPVEESA-N 393.849 5.432 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)cc1 408940210 UPGJQDKGTFHCTQ-HMAPJEAMSA-N 382.463 5.428 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 409213456 VNHAUAZCQOHNIH-ZROIWOOFSA-N 394.770 5.271 50 40 GKGB C=CCn1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 659630 WPBYXCPKBXBZSV-CVKSISIWSA-N 393.446 5.491 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 1507378 NAWZHWGFCBNNBI-GXDHUFHOSA-N 383.234 5.799 50 40 GKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1 4508767 KLASBDCDFFDXKL-XMHGGMMESA-N 392.414 5.237 50 40 GKGB N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1 8379247 WOIDXFWXJYAQNN-XFXZXTDPSA-N 390.270 6.233 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 39884696 VSSNNUCAHJZHOG-GXDHUFHOSA-N 393.786 5.054 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 408582221 MLEGPTAJLCVTEU-KGENOOAVSA-N 385.419 5.037 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)cc2)cc1 409232783 PUYMWSVDJLNNOI-RGEXLXHISA-N 395.449 7.229 50 40 GKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1C 1082492 VBCPHHHVBGSFFH-CPNJWEJPSA-N 389.886 5.602 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 34847121 JPRDMSZBTJQWLY-RQZCQDPDSA-N 399.346 7.304 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 59201259 ZXABSUSVCMLXFQ-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB O=C(N/N=C/c1ccccc1Cl)c1ccc(CSCc2ccccc2)cc1 59474253 IENDWILGOIOXMT-ZVHZXABRSA-N 394.927 5.537 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2c3ccccc3cc3ccccc23)cc1 209987448 PNIYGOPDHGYTRE-CYVLTUHYSA-N 378.431 5.547 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Br)c3)c2C)cc1 408771998 JNQGZJWQAVJXFO-NDENLUEZSA-N 391.312 6.229 50 40 GKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408811486 RDPMNMCRGXWKKK-GNFOSXPUSA-N 384.479 5.240 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)ccc3OC)n2)cc1 4063707 INXWXBMUNFZWRP-GHRIWEEISA-N 391.496 5.366 50 40 GKGB Cc1ccc(/C(=N/NC(=O)c2ccc(-c3ccccc3)o2)c2ccccc2)c(C)c1 4602520 VCVBBWYZHIMAFZ-IMVLJIQESA-N 394.474 5.746 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 5128123 SNQKHAIFLVXLMW-FSJBWODESA-N 386.282 5.165 50 40 GKGB COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c1 7348029 DKAQEXJGPGUWMQ-VBKFSLOCSA-N 377.469 5.112 50 40 GKGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc2ccccc2c1 13712065 JDAPYFKZZHWILE-OYKKKHCWSA-N 388.858 5.037 50 40 GKGB Cc1cccc(Cn2cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c3ccccc32)c1 33768374 XDHKNAVZGJHLRC-HMAPJEAMSA-N 392.458 5.760 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1 223588764 DHEOSDMDSMNYMJ-CRXVIZHGSA-N 391.559 5.568 50 40 GKGB O=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226321992 NFSFUZMXKVUWHJ-UHFFFAOYSA-N 384.473 6.258 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1F 408825946 SEJOQWAXNDEGMC-AQTBWJFISA-N 390.389 5.089 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)OC1CCCCC1 2669756 AJXBRQYSBAUXNJ-GXDHUFHOSA-N 390.266 6.036 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1 3167894 SRRFYTZLOOWVEA-NBRNZJABSA-N 395.442 5.818 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C/c2cccc(Cl)c2)nc1-c1ccccc1 4981778 FNLVJOYEFXNUEO-LFIBNONCSA-N 393.899 5.876 50 40 GKGB C=C[C@@H]([C@@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1 98175055 AKQMJCCGNHXSSJ-ZEQRLZLVSA-N 384.500 5.667 50 40 GKGB N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccccc1F 107600540 AQPPLPDSTNQFHB-JXAWBTAJSA-N 395.437 5.483 50 40 GKGB CCOP(=O)(Cc1cc(S(F)(F)(F)(F)F)ccc1[N+](=O)[O-])OCC 108618912 HIWICBUZXBCSNS-UHFFFAOYSA-N 399.274 6.018 50 40 GKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc2n1Cc1ccccc1 408743703 UMACYEBSEOWZGO-PGMHBOJBSA-N 391.474 5.544 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccccc1 409374092 XKYPKLAKRZVFCU-UCQKPKSFSA-N 380.447 5.600 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)C1C2=C(CCCC2)OC2=C1CCCC2 2300582 MGKZNKDKLRRCRH-UHFFFAOYSA-N 390.463 6.056 50 40 GKGB biogenic C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(C(F)(F)F)c1 6312319 KBEFXSRACIHWQE-AUEPDCJTSA-N 396.821 5.728 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc2ccccc12 13809855 PMMOYRYOAFEZJY-JWGURIENSA-N 391.474 5.793 50 40 GKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 31906001 XYFWQKFBSXZYSQ-NVNXTCNLSA-N 396.443 5.039 50 40 GKGB Cc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(C)cc2)cc1 51329692 LEUQRPNRVUXMSV-FHEBSKKJSA-N 392.930 5.665 50 40 GKGB C[C@H](Br)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 1676780 XKFXWHCSXIYNLB-JTQLQIEISA-N 392.090 5.722 50 40 GKGB in-vitro O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1csc2ccccc12 2089809 GELFDVOGNQFBFI-SSDVNMTOSA-N 380.856 5.579 50 40 GKGB CN(C)c1ccc(C(c2ccc(N=C=S)cc2)c2ccc(N(C)C)cc2)cc1 4284738 FQRPHJQHZAOGGT-UHFFFAOYSA-N 387.552 5.733 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 16713183 WRKVTLBYBFFZQX-UDWIEESQSA-N 387.508 5.403 50 40 GKGB Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1C 59678929 QYUWDJQGINWOPM-UKTHLTGXSA-N 384.266 5.339 50 40 GKGB Cc1ccc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1 100019303 ZZYZSNODVVFFFR-MDNKFWRPSA-N 388.374 5.124 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc2ccccc12 409309536 IUQQAOHANOOYII-JWGURIENSA-N 395.889 7.136 50 40 GKGB CN(C)c1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 4235637 BRBQPOXDHMSEFU-XMHGGMMESA-N 381.504 6.093 50 40 GKGB C=C[C@H]([C@@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1 98175053 AKQMJCCGNHXSSJ-BJKOFHAPSA-N 384.500 5.667 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)c(Cl)c1 208216683 DJBFEUQAAXFAJQ-WJNWYLSZSA-N 397.950 5.443 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccccc1F 209402527 NJSSCBUGIQURQW-HYARGMPZSA-N 387.454 6.176 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408581251 HWJUDQLFNNGGJW-YBFXNURJSA-N 393.845 6.131 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)NC1CCCC1 409195601 WRJRCRMOCVBADO-KQWNVCNZSA-N 396.490 5.385 50 40 GKGB CCc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2279670 VYGIKOWZIDQSDD-LGMDPLHJSA-N 399.475 5.455 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 4115180 CWMOTEGAXGHXPY-QSFXBCCZSA-N 390.918 5.206 50 40 GKGB N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8846225 XQWUMHLUJXODRH-LJQANCHMSA-N 398.249 5.054 50 40 GKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(C(C)(C)C)c1O 16322994 GVWNHUZLFLIPBR-LFIBNONCSA-N 392.499 5.238 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1-n1cccc1 44835459 KBQBVIQVWPIDGU-BUVRLJJBSA-N 389.842 5.155 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1 209493792 NLOUQZGJONNXFD-KGENOOAVSA-N 398.462 5.085 50 40 GKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)cc1 408598675 IERSQDKDLJWVAT-XDHOZWIPSA-N 388.471 5.766 50 40 GKGB CN(C)c1ccc2c(c1)S/C(=C\C1=CC(=C(C#N)C#N)c3ccccc31)N2C 685944495 SBJLPKPTXKMEQX-KSEXSDGBSA-N 382.492 5.034 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OC(=O)c4cccs4)cc3)nc2c1 8577952 QXYPVJXRFOEQBR-VBKFSLOCSA-N 385.448 5.216 50 40 GKGB aggregator CC(=O)Nc1sc(/C(C#N)=C/c2cccc(Cl)c2)nc1-c1ccc(C)cc1 26841448 WUOTXVCAEYQIGW-LICLKQGHSA-N 393.899 5.795 50 40 GKGB CC/C(=N/NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)C(C)C 38201197 REGQHZCNYIFQPH-LVWGJNHUSA-N 380.532 5.849 50 40 GKGB O=C(CCCC[C@H]1CCSS1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 65905880 VTEPEJKQYXEPCH-WMLDXEAASA-N 391.562 5.067 50 40 GKGB biogenic Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1 408598837 BNWMWOQRXYYVNW-WGOQTCKBSA-N 387.527 5.464 50 40 GKGB C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 409045529 YYUPESYRJGRSLK-CXUHLZMHSA-N 399.277 5.168 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409166440 DKMVVSBNMLLEFV-WSDLNYQXSA-N 397.272 5.090 50 40 GKGB C=CCOc1ccc(Br)cc1/C=C(/C#N)c1cccc2ccccc12 409335962 ZFMBUVBCUXOVLK-AQTBWJFISA-N 390.280 6.231 50 40 GKGB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H](Cl)c1ccccc1 575359205 UZYWTTHGCAZMNF-RUZDIDTESA-N 397.905 7.319 50 40 GKGB Cc1ccc([C@@]2(C(F)(F)F)N=C(O)N3C(=C2C#N)Sc2ccccc23)cc1 3227164 KFYLZPIJWVCLAZ-GOSISDBHSA-N 387.386 5.028 50 40 GKGB N#CC(C#N)=C1c2ccccc2Nc2c(F)c(N3CCCCC3)c(F)c(F)c21 4893058 NFWHYTBEDVUHSH-UHFFFAOYSA-N 380.373 5.000 50 40 GKGB N#CC(C#N)=C(SCc1ccc(Cl)cc1)SCc1ccc(Cl)cc1 9425684 VRIMBDOOIRCYQD-UHFFFAOYSA-N 391.348 6.419 50 40 GKGB CCCC[C@H](Br)C(=O)Nc1nc2ccc([C@@H](C)CC)cc2s1 20133012 CHAOGVPASDXEDS-AAEUAGOBSA-N 383.355 5.702 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 209482712 DFLAYQAWLHNSTP-CIAFOILYSA-N 389.882 6.300 50 40 GKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc(F)c2)cc1 408850659 CGLQXNOIBWVQON-PKAZHMFMSA-N 397.453 5.356 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ccccn2)o1 408991647 ORWYJJZSFMNGNA-SDNWHVSQSA-N 395.871 5.333 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3ccc(-c4cccc(Cl)c4)o3)[nH]c2c1 409392240 OJAOYPYSOBKGDZ-UVTDQMKNSA-N 375.815 5.549 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 2272277 IXPQGLAQQJSLBX-NTCAYCPXSA-N 378.815 5.154 50 40 GKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c1 2344612 RUPWZOIUQFBRNU-RVDMUPIBSA-N 378.815 5.154 50 40 GKGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Cl)c1Cl 3083507 PDGXEMXCEMMWIJ-GHONEHJGSA-N 387.266 5.064 50 40 GKGB c1cc2c3c(ccc(CSSCc4ccc5c6c(cccc46)CC5)c3c1)CC2 3184466 FRPNXXIBZSATNC-UHFFFAOYSA-N 398.596 7.272 50 40 GKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)C(C)(C)C)cc1 3246289 TZKFXPJOTXATPJ-NBVRZTHBSA-N 385.467 5.070 50 40 GKGB CC1(C)CC(=O)C2=C(C1)O[C@H](c1c3ccccc3cc3ccccc13)C(C#N)=C2N 4438676 FAWMGGKUDHGJDG-VWLOTQADSA-N 394.474 5.444 50 40 GKGB O=C(N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccn1 4481504 DGEXJWFHTWAJDO-AZPGRJICSA-N 391.474 5.125 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Br)n2)cc1 6441584 YOKDOXSEXUTDHT-GDNBJRDFSA-N 397.297 5.645 50 40 GKGB Cc1cccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)c1 83327523 NTEOUQUCYJQCLW-PKAZHMFMSA-N 394.474 5.491 50 40 GKGB CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 100071258 IKMBVLMDVZZYGV-PDGQHHTCSA-N 388.496 5.362 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 103011972 CXDLCYIEUQUGEW-CAPFRKAQSA-N 380.488 5.242 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccccc3)[nH]c2cc1C 408542128 GVKKYQVUMQKCJO-KGENOOAVSA-N 379.463 5.823 50 40 GKGB CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl 408566562 HRKOVXBQCOXLTJ-WZUFQYTHSA-N 376.218 5.472 50 40 GKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)o1 408570568 WVZCRHQWYHBQFI-LCYFTJDESA-N 387.370 5.033 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C 408599130 PBBUUAIUVPVPDO-GRSHGNNSSA-N 391.858 6.028 50 40 GKGB CCCC[C@H](Br)C(=O)Nc1nc2c(CC)cc(Cl)cc2s1 20132979 NBDIEZHDGAXMNQ-NSHDSACASA-N 389.746 5.404 50 40 GKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC 408541264 YRHLAMOSSCIFJY-MOHJPFBDSA-N 382.504 5.198 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1 409352075 YMECZUYJOAMYKW-UYRXBGFRSA-N 380.274 6.637 50 40 GKGB C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)[C@@H]1C[C@H]1c1ccccc1 585145963 ROFUXMCDMXGKFY-XLXMKANJSA-N 375.497 5.028 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@H](Nc1ccccn1)c1ccccc1 3200933 ZMNUFHGXEJDFIS-DEOSSOPVSA-N 384.419 5.206 50 40 GKGB Cc1ccc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c(N3CCCCC3)nc2c1 35147593 LXFLNYXFRNXKBC-RCCKNPSSSA-N 398.466 5.506 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCc1ccccc1 408569848 QPBARMKDRXFUNG-WQRHYEAKSA-N 399.425 5.354 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)cc1C 408809257 GRQHZJXUHVWWLM-FCLFFRHDSA-N 389.543 5.313 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408809273 GSIJYIGWMPFKSK-HMMYKYKNSA-N 382.463 5.567 50 40 GKGB COc1ccc(/C(=C/C=C(C#N)C#N)Sc2nc3ccccc3s2)cc1 1037088 RDYSRPPSUCPBDW-WQRHYEAKSA-N 375.478 5.412 50 40 GKGB O=C(c1ccccc1)[C@H](CBr)[C@@H](Br)c1ccccc1 1660020 KUFJRYXCKFQGHE-CABCVRRESA-N 382.095 5.017 50 40 GKGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3ccsc3)cc2)c1 3259052 IKQOVSPSSMYEFY-ZMOGYAJESA-N 392.524 5.523 50 40 GKGB CCc1ccc(-c2nc(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)sc2CC)cc1 4957130 POKMYCMZIYJILK-LDADJPATSA-N 389.480 5.907 50 40 GKGB Cc1ccc(NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1C 5337663 QGKXQTYJBVYWND-JFLMPSFJSA-N 381.479 5.172 50 40 GKGB N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 21540815 PRFHLDWGZOCMAU-HMMYKYKNSA-N 384.439 5.197 50 40 GKGB CCCCCCCC(=O)NN=C1CCC(=NNC(=O)CCCCCCC)CC1 101974544 OJXVIWYCYSCJSJ-UHFFFAOYSA-N 392.588 5.226 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c1C 408968427 WNUXGAHSRWFQMB-OYKKKHCWSA-N 394.906 5.466 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)cc1 59224741 VXOUSDDEXUJJIC-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB Cc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)cc1 257354822 ZZYZSNODVVFFFR-IJXRJRJASA-N 388.374 5.124 50 40 GKGB Cc1ccc(Cn2cc(/C=C(\C#N)c3cccc(Cl)c3)c3ccccc32)cc1 408598884 KRSWJIPOMWUZQE-FYJGNVAPSA-N 382.894 6.716 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 408718903 UWYPXDWYNTVCRG-JXILZYDWSA-N 396.918 5.195 50 40 GKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(Cl)c1 408775881 KPHCFFZADROEQU-YBEGLDIGSA-N 377.787 5.500 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1F 408813600 QTAGBEZUGZYGJM-QGOAFFKASA-N 390.389 5.089 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1 408853632 VOARGNABYXYNNK-MOSHPQCFSA-N 389.838 5.681 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cc(Cl)ccc1Cl 409394329 YYAXLPZFSXKQSV-MFOYZWKCSA-N 385.269 6.604 50 40 GKGB C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1807713 JRGPHHHWMLPUIN-WTJYETQFSA-N 394.858 5.050 50 40 GKGB Cn1c(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)nc2ccccc21 11990313 XYSFXWDLOMESQD-XMHGGMMESA-N 383.426 5.356 50 40 GKGB N#C/C(=C/c1cccs1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 36125467 CYIKZRDHKCGGEA-GHXNOFRVSA-N 396.880 5.696 50 40 GKGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 36224124 UOOVFXLDGJVDBW-KSEXSDGBSA-N 391.229 5.085 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)c(C)c1 59249209 IJLBRPWFQIQIDI-LGMDPLHJSA-N 375.859 5.293 50 40 GKGB N#CC(C[C@H](Br)CBr)(c1ccccc1)c1ccccc1 100190829 ZYYSPXJVBQFPDN-INIZCTEOSA-N 393.122 5.045 50 40 GKGB CC(C)[Si](OCc1ccc(-c2ccc3c(c2)CC=C3)cc1)(C(C)C)C(C)C 195754087 XLMSOAXAJLVTAG-UHFFFAOYSA-N 378.632 7.615 50 40 GKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408819528 ZFXNVDGEAGEARZ-ISPGYRLHSA-N 384.479 5.240 50 40 GKGB CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1cc(C)ccc1C 3191005 JOVYTHQESCGCIB-UHFFFAOYSA-N 383.520 6.518 50 40 GKGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 4523971 HEISGARWPFZAHN-UMUMURGJSA-N 381.303 5.165 50 40 GKGB Cc1cc2c(cc1/C=N\NC(=O)c1cccs1)[C@H](C)CC(C)(C)N2C(C)C 223594077 QLOHWCZZMHABPC-GEWRUKCFSA-N 383.561 5.321 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1O 408579965 MBHHYCJIEAUKOV-ONNFQVAWSA-N 399.071 5.534 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1 408581641 YHPVLXVUIAEIDD-WOJGMQOQSA-N 398.264 6.776 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 409237376 UCTPCLNOILNLKZ-QNGOZBTKSA-N 398.531 6.309 50 40 GKGB O=C(c1ccccc1)[C@H](Cl)[C@H](c1ccccc1)[C@@]1(Cl)CCCCC1=O 13512326 VXYDXULHYXNWKC-QKNQBKEWSA-N 375.295 5.381 50 40 GKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc2ccccc2c1 59334784 LPFCDJGJCVMMLS-IWIPYMOSSA-N 396.490 5.142 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccccc3F)cc21 223502417 XZMMGSVHZCXSRS-VULFUBBASA-N 393.506 5.308 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408875111 DCQODMAMGUZVMY-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)n1 408980749 XCADYKIEEYTBTJ-UKTHLTGXSA-N 386.238 5.314 50 40 GKGB CCOc1cc(Br)c(/C=C(/C#N)c2cccc(F)c2)cc1OC 409393085 OXNPEIHPYDLTOK-AUWJEWJLSA-N 376.225 5.060 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Cl 6303759 YDXWNCQVVPHYFT-MDWZMJQESA-N 391.229 5.243 50 40 GKGB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)C(C#N)=C(SCC)N1 20029076 USNFTHIRTBWZLD-QGZVFWFLSA-N 390.936 5.132 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccnc1)c1nc2ccccc2[nH]1 32815494 ZODLYKNNVHXPIX-LICLKQGHSA-N 386.842 5.254 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1 35124653 ZFNLRQSGVJNBCC-JXAWBTAJSA-N 379.891 5.184 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(C(=O)O)cc1 107779431 ZUFIQCPWFFQAFX-OQLLNIDSSA-N 393.782 5.061 50 40 GKGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408871626 ZIQWFJNQZLUVFZ-LFYBBSHMSA-N 395.673 5.591 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1C 1096891 KXLZEWFOXREIQA-XSFVSMFZSA-N 387.458 5.341 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 33538877 JBILGQARQDMDAQ-ATVHPVEESA-N 398.890 5.463 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccc(Cl)cc1Cl 33668561 QXOIOSRMUDQIIU-UVTDQMKNSA-N 383.234 5.546 50 40 GKGB CCCCCCCCCCCCCCCc1ccc(CBr)cc1 100227918 QLPLTWXBDVRYOE-UHFFFAOYSA-N 381.442 8.215 50 40 GKGB CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]12 105573047 TXEVVAPERSDMTN-AHVTXZBESA-N 384.560 5.053 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408947901 BPBKDAZDDZRMFG-HGBSZDESSA-N 396.918 5.195 50 40 GKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(F)cc1 8812064 IKCFTBWZPUBCAX-JVWAILMASA-N 398.437 5.322 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)o1 408591555 UWFVMMOBRXKAHV-LSHDLFTRSA-N 390.270 5.066 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1 408745145 KEKYICSNZNAOBI-UVTDQMKNSA-N 397.261 6.108 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1 408801603 WHVRHWNSBYYWAD-SAGAUJLNSA-N 384.479 5.413 50 40 GKGB CCCCOC(=O)/C(C#N)=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 2669622 OEWYYFGABZKRQU-FMIVXFBMSA-N 397.780 5.869 50 40 GKGB Cc1ccc(O[P@@](=O)(c2ccccc2)c2nc3ccccc3s2)cc1C 3172241 TXSRWTWZPZTBKT-VWLOTQADSA-N 379.421 5.221 50 40 GKGB N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 4175179 BROBGCNORUDJJT-KCTVJHQVSA-N 393.309 6.193 50 40 GKGB CC1(C)CC2=NC(S[C@@H]3C=CCCC3)=C(C#N)[C@H](c3ccccc3)C2=C(O)C1 103521795 XITBMMXTHOGUEK-UTKZUKDTSA-N 390.552 6.434 50 40 GKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1 408796589 ANPTWPWSZIZVFY-HESIGYJKSA-N 392.474 5.007 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1 408837747 MTQXYAAMWILZMN-YZSQISJMSA-N 380.447 5.183 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3c4ccccc4cc4ccccc34)[nH]c2c1 409391015 GWOWCSIWJHVUFI-AQTBWJFISA-N 375.431 5.942 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1cccc(F)c1 409393322 QEVCPBICMZGJCO-JAIQZWGSSA-N 391.417 6.007 50 40 GKGB N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 13739437 ZJDAXVJCZOJZPD-GVEAZFNLSA-N 383.303 6.737 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3F)n2)cc1 17113310 RJTMHUHTASJNEU-SFQUDFHCSA-N 395.478 6.263 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccccc1F 33680078 PZOZFGZDLCSZGU-MOSHPQCFSA-N 377.422 5.765 50 40 GKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)c1 408745086 PGXZJDJTAHRGRK-JCMHNJIXSA-N 382.463 5.428 50 40 GKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccccc1 409039735 DFGJGDNZXKHAKU-GIJQJNRQSA-N 398.264 6.776 50 40 GKGB CCOc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC 409388991 ADAJHJWOVYKEIE-AUWJEWJLSA-N 376.225 5.060 50 40 GKGB O=C1C(O)=C(CCCCCCCCCCBr)C(=O)c2ccccc21 4879337 UPRKEZGTMWRUBT-UHFFFAOYSA-N 393.321 5.784 50 40 GKGB O=C(CC12CC3CC(CC(C3)C1)C2)NNc1c(Cl)cc(Cl)cc1Cl 6085255 GDALKZCNPBYFEG-UHFFFAOYSA-N 387.738 5.696 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 12524997 ZEWOXIGRBMLDRA-SFQUDFHCSA-N 393.849 5.432 50 40 GKGB N#C/C(=C\c1cccn1-c1ccc(C(=O)O)cc1)c1cccc(Br)c1 15013636 VMRBATIHDRFQQZ-FOWTUZBSSA-N 393.240 5.002 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 15188510 IHRHPBTYGNCPFZ-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc21 16611291 KBKWGOKTKGXMIZ-FEEIMYBTSA-N 391.902 6.120 50 40 GKGB Clc1ccc([C@@H](CI)c2ccccc2Cl)cc1 90561090 RBOZOSFDVBTWFD-CYBMUJFWSA-N 377.052 5.560 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)c1 408801269 UOFISDZDCLRPCD-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1 409363126 UMVPBJUDOFXMFP-STZFKDTASA-N 389.882 6.382 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 409375095 FMWVELZAXUBKHA-GRRFOWRYSA-N 381.863 5.466 50 40 GKGB Cc1ccc(-c2cc(C(=O)NN=C3CCCCCCC3)c3ccccc3n2)s1 4651579 UBVDJZKBHDMKLW-UHFFFAOYSA-N 391.540 6.102 50 40 GKGB O=C(N/N=C/c1ccccc1)c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 5338295 HIDQBNZHKOCEDW-SBMWDPBGSA-N 393.490 5.277 50 40 GKGB Cc1cc(C(=O)NN=C2CCCCCCCCCCC2)c(C)n1-c1ccccc1 6044050 AIBUEXCNHPYAQE-UHFFFAOYSA-N 393.575 6.485 50 40 GKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccccc1 59117626 UOSRELDXWWGBLW-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 100839912 CMIUDLZDLNCXHW-VBKFSLOCSA-N 393.443 5.102 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1ccccc1 408745332 LUJVLSSSVSMXPU-QINSGFPZSA-N 393.240 5.255 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408798114 UJERXDAKBYMBNF-RIYZIHGNSA-N 375.255 5.246 50 40 GKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccsc2)cc1 408859979 WODLOXMLFSOCGI-IWIPYMOSSA-N 385.492 5.278 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408956274 QJMXSGVASGKALQ-PCLIKHOPSA-N 392.886 5.002 50 40 GKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1 16489222 ZKDOOXHGNBOPFA-RGEXLXHISA-N 395.437 5.374 50 40 GKGB CCCC/C(C)=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 17077669 AOSFXQCSZRLHDU-MYYYXRDXSA-N 379.891 5.851 50 40 GKGB Cc1cc(C)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 103449439 FQYCGOBCSVQTBD-UHFFFAOYSA-N 395.506 6.106 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)cc1 408585680 HDVKAFNASBXIAY-ODLFYWEKSA-N 381.306 6.774 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1CC 408874815 DGERTCSJKQBHFQ-CAPFRKAQSA-N 382.463 5.513 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OC 409075522 RHNUHPYFEMUKTG-GZTJUZNOSA-N 396.874 5.021 50 40 GKGB O=C(c1cc2ccccc2c2ccccc12)[C@@H](Br)CBr 575359195 YMQHSSUKQXPWCE-INIZCTEOSA-N 392.090 5.334 50 40 GKGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2670180 DOZQLLOGWVZTBZ-YRNVUSSQSA-N 389.764 5.386 50 40 GKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 3115503 IMVPRGRXVCUQMT-CVKSISIWSA-N 382.463 5.139 50 40 GKGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(SC(F)F)cc1 6209440 VMBVBTDUCFQWIK-FMIVXFBMSA-N 396.365 5.148 50 40 GKGB N#C/C(=C/c1ccccc1)c1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1 6863891 KVOKHCYKCHTEEJ-MTJSOVHGSA-N 376.484 6.445 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)cc1 6956922 ZSHFYOIYUVMZSZ-DTQAZKPQSA-N 376.843 5.708 50 40 GKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1 58871564 BUHIIFBRQQFKLU-YZSQISJMSA-N 380.447 5.183 50 40 GKGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 79193144 VTEPEJKQYXEPCH-RHSMWYFYSA-N 391.562 5.067 50 40 GKGB biogenic CCCCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1 102616196 KLLSMSRVQZXNOO-HXUWFJFHSA-N 396.556 6.134 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc2ncccc2c1 148738101 LSGIVCUEPNXPST-MTJSOVHGSA-N 383.882 6.360 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3)cc2[C@@H](C)CC1(C)C 223572903 MFWIWWUHWOOGJX-BIKZULFDSA-N 377.532 5.179 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)cc1 408779096 RAHMGCFQUQYFQS-WQRHYEAKSA-N 384.376 6.316 50 40 GKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc(F)c1 409394076 VGTFNXRDNUDWSL-PDGQHHTCSA-N 390.389 5.046 50 40 GKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccccc1F 33767583 SRWKBNDLVWLBKH-YVLHZVERSA-N 398.264 6.776 50 40 GKGB N#C/C(=C\c1ccccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 34834708 NFQICBGNWIXJMW-NTUHNPAUSA-N 375.255 6.320 50 40 GKGB BrCCCCCCCCCCCCCCCCBr 100493786 OTFBUFWEFKVFFR-UHFFFAOYSA-N 384.240 7.238 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccccc1 408548910 NFHSIRQNRDMVCZ-MYYYXRDXSA-N 391.470 6.492 50 40 GKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1cccc(Cl)c1 408598915 KZXJIDGZMGMXOO-SFQUDFHCSA-N 387.895 6.318 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1C 408849704 YGCMSPCAHMBCSW-HAHDFKILSA-N 397.522 5.819 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1Cl 409015093 YOFGDAAITSTROF-PTNGSMBKSA-N 396.277 5.638 50 40 GKGB COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc12 409022760 RXZMJTVPBVXUNR-FMCGGJTJSA-N 378.815 5.012 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(C)cc1 409389634 CGPBPCQDEYOGIG-XKZIYDEJSA-N 387.454 6.176 50 40 GKGB N#CC(C#N)=C(Nc1ccc(Br)cc1)SCc1ccc(F)cc1 1070175 BOISFDFYGBPMCV-UHFFFAOYSA-N 388.265 5.192 50 40 GKGB ClCCCN(CCCCl)c1ccc(/C=N/c2cccc(Cl)c2)cc1 1872991 SAZYBQIUMXULGA-HZHRSRAPSA-N 383.750 6.155 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1C 4263941 AFYFNWSHUQTHKG-GZTJUZNOSA-N 379.916 6.365 50 40 GKGB CN(C)c1ccc(-n2cccc2/C=C(\C#N)c2ccc(Br)cc2)cc1 4676428 QQEBWOJEWTYCPY-SAPNQHFASA-N 392.300 5.370 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)[nH]c2c1 6628503 ZIJGBYMIWHQUHN-PTNGSMBKSA-N 393.368 6.214 50 40 GKGB CCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 60272594 RFRHXYAVBKIHIG-UHFFFAOYSA-N 381.479 5.743 50 40 GKGB CCCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1 102609126 UKWCSJPISRTTKC-LJQANCHMSA-N 382.529 5.744 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 408787864 GZWBCSOYCGHOJD-VGOFMYFVSA-N 375.255 5.165 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC 408803999 BPRNUVDNRZPZJZ-SFQUDFHCSA-N 398.890 5.382 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2cccc(Br)c2)cc(OCC)c1O 408851231 AKPOZAUOJSYHSZ-YVLHZVERSA-N 384.273 5.346 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2)cc1 409236806 HPKGEJISDZQGOU-QNGOZBTKSA-N 384.504 5.370 50 40 GKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 867496 RCLQTJVFJCQHCV-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC 1453184 UZVIKZMYPMIQTO-LFIBNONCSA-N 399.368 6.047 50 40 GKGB O=P1([C@H](c2ccccc2)[C@H](O)c2ccccc2)c2ccccc2-c2ccccc21 2127181 TVRDSJXTQUVKCV-CLJLJLNGSA-N 396.426 5.456 50 40 GKGB N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@H]1c1ccc(F)cc1 6496716 MVBNDTJMCVJAGQ-FQEVSTJZSA-N 388.467 5.251 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 13595236 BBRDKFFNUXPDCI-WGOQTCKBSA-N 381.479 5.070 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)Sc1nc2ccccc2s1 33726284 NYBCVFSJFTVQPU-LFIBNONCSA-N 378.453 6.352 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21 208447078 BAYLLPFGRVZLQB-YVLHZVERSA-N 391.902 5.517 50 40 GKGB COc1cc(Br)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 408548351 GUFGUFDZRHPSPP-ZDLGFXPLSA-N 394.268 5.684 50 40 GKGB COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3cccc(C#N)c3)o2)ccc1Cl 408567659 PEZCQGZOFXTHHV-YVLHZVERSA-N 388.810 5.322 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)cc1C 1299695 AKTAUUOKTYOZJA-LFIBNONCSA-N 397.450 6.005 50 40 GKGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 5322019 ARSIGPXGLJBZHD-GOSISDBHSA-N 388.298 5.058 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 6885644 RGAGXYYABZLWGA-UYRXBGFRSA-N 392.380 5.918 50 40 GKGB C=C[C@@H]([C@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1 98175056 AKQMJCCGNHXSSJ-RPWUZVMVSA-N 384.500 5.667 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc2ccccc2c1 408549916 BMHDMPUJPAFBTM-JLPGSUDCSA-N 395.889 7.136 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2[nH]1 408599523 VQXNYMVCHPWUEK-SAPNQHFASA-N 381.460 5.385 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccccc2Cl)c1C 408963944 BHDYUSKTEDEISU-OYKKKHCWSA-N 394.906 5.466 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1 4115174 GWTXVLCYCBNNRY-NQYLQCIDSA-N 390.918 5.206 50 40 GKGB N#C/C(=C\Nc1cccc(Cl)c1Cl)c1nc(-c2ccc(F)cc2)cs1 4175263 FSKNSSAPYKYGAC-FMIVXFBMSA-N 390.270 6.233 50 40 GKGB CCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 6203394 VXMFYJQWBYPPOU-RGEXLXHISA-N 396.918 6.153 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)c(Br)c1 8368360 KXUYREVZLGLWHK-PTNGSMBKSA-N 398.687 6.735 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 33333312 KIRQZUHCUZIIKP-RQZCQDPDSA-N 398.853 5.609 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC 33381627 BRVVDUMNIOALOL-VBKFSLOCSA-N 384.863 5.073 50 40 GKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 59473777 LKZOZQHXEXLUMW-PCLIKHOPSA-N 388.536 5.866 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)c1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223599579 HIIBJZGZTFRSTL-UMUMUWHJSA-N 392.974 7.213 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC 408796174 OIZXQMWBBALWMC-LICLKQGHSA-N 398.890 5.300 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c1C 409007047 MMPAFGXMVLBXMM-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 663291 RXCNWTBXYDDCGT-GXDHUFHOSA-N 397.261 6.108 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 4794861 NJHWGVUDIQDQAE-LFIBNONCSA-N 376.441 5.312 50 40 GKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)c2ccccc2F)cc1 6300370 HIJCJXOOAFBEEP-RGEXLXHISA-N 386.426 5.216 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1 13512490 GWTXVLCYCBNNRY-CFLQYTFWSA-N 390.918 5.206 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)cc1 408767651 ZKUDUNTYYYDLFB-WPWMEQJKSA-N 395.506 5.574 50 40 GKGB COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C(C)C 408851885 GYUUSOGDJRZFLY-CPNJWEJPSA-N 390.527 5.970 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc3ccccc23)o1 409177288 GTALZKWGPKKAGF-ZVHZXABRSA-N 399.406 5.080 50 40 GKGB CCN(CC)CCOc1ccc(/C(C#N)=C/c2ccc(SC(C)C)cc2)cc1 1692254 KDRRJYFXQJJXRM-OQKWZONESA-N 394.584 5.972 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2775753 SQUWVGQAYZVFPU-RVDMUPIBSA-N 388.298 5.385 50 40 GKGB Cc1sc2nc(/C(C#N)=C/c3ccc(-c4ccccc4)cc3)[nH]c(=O)c2c1C 5071231 JSPMOSJFTHYZCO-XDHOZWIPSA-N 383.476 5.333 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)cc3OC)n2)cc1 6439715 AIWQAMPJQGZGGM-GZTJUZNOSA-N 392.480 5.290 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1Cl 6545803 DGPQIJKXDRLTIJ-WQRHYEAKSA-N 377.831 5.720 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)cc1 28632468 VSVCXJPGUWFMPR-HKLPFQIESA-N 392.543 5.241 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)C(c1ccccc1)c1ccccc1 59515938 JSARWZHGLVEUAL-UHFFFAOYSA-N 390.571 6.595 50 40 GKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc(Cl)c1 408599298 SDFJFZISOOSZCE-UCQKPKSFSA-N 395.889 7.136 50 40 GKGB CC(/C=N\NC(=O)c1cc2cc(Br)ccc2o1)=C\c1ccccc1 408859672 YYKJUTMRQGFMRM-JJESVDTCSA-N 383.245 5.014 50 40 GKGB N#C/C(=C/c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 409000627 ULMVIOKXMXARBH-HKWRFOASSA-N 377.447 5.058 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccccc1Br 409394252 XSFKVLFJWWVBAN-WQRHYEAKSA-N 395.275 6.060 50 40 GKGB O=C(CCCc1ccc(N(CCCl)CCCl)cc1)OCc1ccccc1 1745477 SEBYNSOEKHYPDF-UHFFFAOYSA-N 394.342 5.037 50 40 GKGB CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCCl)c1ccccc1S2 3882437 HJLNLVIQJYXVBB-UHFFFAOYSA-N 376.865 5.013 50 40 GKGB Br[C@H](c1ccccc1)[C@H](Br)c1ccc2c(c1)OCCO2 4776215 TXBCLVCVSXZVHK-HZPDHXFCSA-N 398.094 5.030 50 40 GKGB O=C(Cl)/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 226333668 XAFJIKXGNZPISZ-SOFGYWHQSA-N 386.072 5.460 50 40 GKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC 408540361 QSYHUGJSYBRXKF-HAHDFKILSA-N 388.895 5.072 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(C)C 1453897 SJTJVKBKBWOWST-CPNJWEJPSA-N 386.451 5.181 50 40 GKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1 4511654 WAUWWBJDYUELJN-NHDPSOOVSA-N 391.279 5.502 50 40 GKGB O=C(N/N=C/C=C/c1ccccc1)c1ccc(N/N=C/C=C/c2ccccc2)cc1 4863685 LOEBDRRZEVYEBP-XYBBZGBUSA-N 394.478 5.227 50 40 GKGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 5322055 ARSIGPXGLJBZHD-SFHVURJKSA-N 388.298 5.058 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12 5777603 PIOBGFMPRWQTSV-NBVRZTHBSA-N 398.849 6.299 50 40 GKGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 59117478 KVALDBFZDLPSQU-KPKJPENVSA-N 395.673 5.591 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(C(=O)O)cc1 408544052 ROELBBLWHRYXEC-ZROIWOOFSA-N 394.770 5.271 50 40 GKGB Cc1cccc(COc2ccccc2/C=N\NC(=O)c2cc3ccccc3o2)c1 408852864 WPAFOFDQKJEWAE-MYYYXRDXSA-N 384.435 5.084 50 40 GKGB CCOc1cc(C)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C(C)C 409232170 HFQAPTJTCGQOHO-LZAZYHHXSA-N 376.500 5.302 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)c1cccc2ccccc12 409317122 OHFPFJHBHRVZNH-JCMHNJIXSA-N 379.434 6.622 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)nc2c1 59186071 MJRVDDRLXWJKMT-UKTHLTGXSA-N 394.261 6.502 50 40 GKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1 59472844 WFMFGMWLZDEXGO-KEBDBYFISA-N 387.719 5.279 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1 408535559 YVFFNQMQUCEDEC-PTNGSMBKSA-N 384.660 6.427 50 40 GKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C 408599762 ZIZBUZXFTHMXFC-GRSHGNNSSA-N 381.306 6.774 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Cn1cnc2ccccc21 408691882 VWLULYCVTKYMLH-ZROIWOOFSA-N 394.261 6.210 50 40 GKGB Cc1cc(/C=N/NC(=O)Nc2ccccc2)cc(C)c1OCc1ccc(F)cc1 408845305 FXWGVXQNJABSRR-AFUMVMLFSA-N 391.446 5.177 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccccc2)cc(C)c1OCc1ccc(Cl)cc1 408852270 RHLIPSDGCNXUHH-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)c1 33707484 XAVNBYOSMBWOJI-HYARGMPZSA-N 393.490 6.131 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 208304674 BLXSGKKDDPAATN-LZCVXGSNSA-N 383.923 5.216 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)c1nc3ccccc3[nH]1)[C@@H](C)CC(C)(C)N2C(C)C 223607156 NOSFFZYGTLCUPE-HRVJUDJTSA-N 398.554 6.436 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl 408580734 RLMQQBZJDYLEPM-XNTDXEJSSA-N 376.681 5.955 50 40 GKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1 408796592 ANPTWPWSZIZVFY-VDLQHFIISA-N 392.474 5.007 50 40 GKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cccc(Cl)c1 409117625 LQNPSZCYXJMOPU-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)ccc3OC)n2)cc1 6450977 XGLJYLWRHHALFW-WOJGMQOQSA-N 376.481 5.454 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)Sc1nc2ccccc2s1 8382110 RSIPSDMYUXZYQE-LFIBNONCSA-N 394.908 6.866 50 40 GKGB O=C(O/N=C(\c1ccccc1)[C@@H](Br)c1ccccc1)c1ccccc1 16923830 HVJVRICSBHAWND-YFJJEWJYSA-N 394.268 5.384 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)c3cccc(Cl)c3)cc21 223506914 CUBNWAFEFRGTDB-NHDPSOOVSA-N 390.958 7.123 50 40 GKGB COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(C)cc4)c3C)[nH]c2c1 409390206 BZBSTXMGBLKUMH-XDHOZWIPSA-N 382.467 5.352 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 3303961 VJHCHMXEUMYAOZ-QGOAFFKASA-N 395.462 5.808 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1O 7167033 IJTIXYLQBSJPFN-RIYZIHGNSA-N 380.831 5.024 50 40 GKGB CC(C)c1cc(Cl)cc2sc(NC(=O)[C@@H](Br)C(C)C)nc12 20133402 WQYBMDKLNQHCOU-LBPRGKRZSA-N 389.746 5.431 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)cc1 33644257 MSVPLMZJWDTRME-RGEXLXHISA-N 382.467 5.433 50 40 GKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccs1 58871168 NPAJNHDDOOVPMP-BUVRLJJBSA-N 386.476 5.244 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(NC(C)=O)cc3)n2)cc1 100839977 SDKUJQQHWVIUGF-AQTBWJFISA-N 388.496 5.307 50 40 GKGB CCCCCCCCCCCCCC[C@@H](CCl)OCCOCCCl 100923921 GBWAOBOPHFUSMP-FQEVSTJZSA-N 383.444 6.957 50 40 GKGB CN1/C(=C/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)C(C)(C)c2ccccc21 105460788 GLMDXMDOZNOUNQ-UQYULYOOSA-N 377.875 5.040 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OC(C)C 408569198 MHJXBJMLILCNGU-AUWJEWJLSA-N 399.853 5.605 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Cl)c(Cl)c1 408761907 MGWZPXWQAXEMTL-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 409251357 PNROZDRIVHUANK-FOKLQQMPSA-N 391.229 5.085 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccco2)cs1 4304302 NCYOFDJOELIXQF-JLHYYAGUSA-N 389.392 5.635 50 40 GKGB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=N/NC(N)=O 5396175 SFOCYFZQHHWIRZ-HNBMYZBUSA-N 387.612 6.336 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1)c1ccccc1 6410532 OIQGNYQMUDWZDH-KMYAOZERSA-N 382.463 5.050 50 40 GKGB CN(C)c1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 16913921 RZVDFFDMRTUESQ-BOPFTXTBSA-N 399.475 5.047 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)c1ccccn1 49573544 IEQPNJVVEAPUGJ-ZHZULCJRSA-N 396.881 5.711 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(C)c1 59296882 CTYWEULYEOQTBA-XQNSMLJCSA-N 396.490 5.682 50 40 GKGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)c1ccccn1 96662819 LRLLKKRTNLLUDF-UKTHLTGXSA-N 388.780 5.312 50 40 GKGB Cl[C@H]1[C@H](Cl)[C@@]2(Cl)C(c3ccccc3)=C[C@@]1(Cl)C2(Cl)Cl 104120709 WLVUCXXIQDWEAN-BJDJZHNGSA-N 376.925 5.441 50 40 GKGB C[C@@H](Br)C1=CC(c2ccccc2)(c2ccccc2)c2ccccc21 104149338 APAJBJCCSRJLHO-QGZVFWFLSA-N 375.309 6.201 50 40 GKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 206179494 GYOFAJAYUDWTNU-HKWRFOASSA-N 392.499 5.508 50 40 GKGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 212592922 SYCYIMBQCOKRAQ-WDZFZDKYSA-N 385.172 5.558 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)Sc1nc2ccccc2[nH]1 408599426 UQPMMHFRAWZAFD-SDNWHVSQSA-N 387.420 5.178 50 40 GKGB O=C(c1c2ccccc2cc2ccccc12)[C@H](Br)CBr 575356965 OQMPUMZFHCOYCI-OAHLLOKOSA-N 392.090 5.334 50 40 GKGB CN(C)N(C(=O)c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C(C)(C)C)cc1 601014389 HNTFILGFFWHYMV-UHFFFAOYSA-N 380.532 5.041 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(F)cc1 4171355 XVNGOOYRULSKGT-LDADJPATSA-N 399.425 5.354 50 40 GKGB aggregator N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 5010205 JNSJAEHLRGOSJS-OQLLNIDSSA-N 397.862 5.072 50 40 GKGB N#C/C(=C\c1ccc(O)c(Br)c1)c1nc2cc(Cl)ccc2s1 13013201 NKDLNCDLVWNFSG-BJMVGYQFSA-N 391.677 5.482 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccc([N+](=O)[O-])c1 33797380 FMZKRGTXCICZHC-NTEUORMPSA-N 394.770 5.271 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(Cl)c1 408790168 UMCXXHJFJZZUHI-NYYWCZLTSA-N 381.646 5.207 50 40 GKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1 408803574 QRWYULRXNSUCAX-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)cc1 409394272 XZIKVTSFYJSCOG-JCMHNJIXSA-N 387.502 6.144 50 40 GKGB COc1cc(C(=O)NN=C2CCCCCCCCCCC2)cc(OC)c1OC 695813 MUHLNHMVXYISHQ-UHFFFAOYSA-N 390.524 5.103 50 40 GKGB c1ccc(Cc2ccc(SSc3ccc(Cc4ccccc4)cc3)cc2)cc1 1670429 NRHWWYVKGDBFMO-UHFFFAOYSA-N 398.596 7.668 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(SC(F)F)cc1 2273010 WDFFLFZWJGHJHK-YRNVUSSQSA-N 399.249 5.854 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc2ccccc12 33675329 UFWKHEQNCCYCCB-SSZFMOIBSA-N 390.269 7.471 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1cccc(Cl)c1 408598426 AEXREAXIXWJOOX-HAHDFKILSA-N 395.889 7.136 50 40 GKGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)c2ccc(Cl)cc2)c2ccccc21 409350820 ULOXMLXAJAAZCE-SFQUDFHCSA-N 378.859 5.230 50 40 GKGB CCCCOc1ccccc1/C=N/NC(=O)CCSc1ccc(Cl)cc1 4402180 BPNUALXPRDPXOS-PXLXIMEGSA-N 390.936 5.151 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3Cl)n2)cc1 6477749 LCEQUDYCHHQUNX-GXDHUFHOSA-N 386.307 6.402 50 40 GKGB ClC1=C(Cl)[C@]2(Cl)[C@H](CBr)C[C@@]1(Cl)C2(Cl)Cl 8214366 DAASOABUJRMZAD-DKPVMLCSSA-N 393.750 5.233 50 40 GKGB in-man Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1F 100843693 VSQVSXGMXDYIFO-CPNJWEJPSA-N 385.467 6.387 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3C)cc21 208453889 FLIIYHNGWHGNQZ-NDENLUEZSA-N 385.511 5.481 50 40 GKGB O=C(N/N=C/c1ccc(Br)cc1)[C@@H](c1ccccc1)C1CCCCC1 408723069 QASQFCKJEYCALG-VRMLFSPKSA-N 399.332 5.263 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1cccc(Cl)c1 408848182 QDAOUQJIUCCQOT-QINSGFPZSA-N 383.676 5.957 50 40 GKGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408888696 ZEIQINBHAOVPGX-KGENOOAVSA-N 398.462 5.134 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC)n2)cc1 4063638 NIKGNQMKBVGWKJ-DTQAZKPQSA-N 377.469 5.194 50 40 GKGB N#C/C(=C/c1ccc(F)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4174966 AABCAKMFRVSCMH-QPEQYQDCSA-N 375.255 6.320 50 40 GKGB Br[C@@H]1CC[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1 5395454 DBNPEHNXIFTVSX-AABGKKOBSA-N 375.306 5.105 50 40 GKGB CCC[C@@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Cl)cc2s1 20132662 ZLJWEDXPIIQCQG-LLVKDONJSA-N 389.746 5.575 50 40 GKGB CCCC[C@@H](Br)C(=O)Nc1nc2c(CC)cc(Cl)cc2s1 20132976 NBDIEZHDGAXMNQ-LLVKDONJSA-N 389.746 5.404 50 40 GKGB ClCc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 41127377 MAKBFENRRNSROI-UHFFFAOYSA-N 398.687 6.663 50 40 GKGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)NC1CCCCC1 408814061 PTFJQCMEWOSACZ-XMHGGMMESA-N 394.902 5.275 50 40 GKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccccc1 408896470 RINADZCRLWXLBS-CPNJWEJPSA-N 393.446 5.293 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(Cl)c2)c1C 408962497 YPCLLQVLIRTERW-AFUMVMLFSA-N 393.918 5.382 50 40 GKGB O=C(N/N=C\c1ccc(Cl)cc1)c1sc2cc(Cl)ccc2c1Cl 408969793 URAPNTYSVGGLED-ZBKNUEDVSA-N 383.687 5.625 50 40 GKGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 409067966 RSUPRGKTHQYORL-AQTBWJFISA-N 395.867 5.172 50 40 GKGB Cc1ccc2c(c1)C1=C(SSC1=C1C(=O)c3ccccc3C1=O)C(C)(C)N2 851570 SQSNLRLVPGLONS-UHFFFAOYSA-N 391.517 5.639 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 940872 CFEYRSUXYRENCN-RCCKNPSSSA-N 391.474 5.544 50 40 GKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2)cc(C(C)(C)C)c1O 1950567 TYZCKIKTVCSYMD-PCLIKHOPSA-N 380.532 5.070 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 4710671 LWCKOWKDBGLPLO-XDHOZWIPSA-N 389.886 5.602 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 6240166 VGOOONYJWQYGNL-RMKNXTFCSA-N 386.065 5.846 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Cl 6373378 VKTBFCZAWCGBBP-GRSHGNNSSA-N 378.258 6.223 50 40 GKGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl 15012572 VMQKGOJZRVIMNG-XFFZJAGNSA-N 385.172 5.558 50 40 GKGB CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC 101730719 FADFQPDNIFVYLO-RIYZIHGNSA-N 399.443 5.181 50 40 GKGB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC=CC[C@@]43C)[C@H]1CC/C2=N\NC(=O)c1ccncc1 245231975 NJHIQSIODLRTDP-NPXLYCOPSA-N 391.559 5.376 50 40 GKGB CCCCCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCC)cc2)cc1 1912645 JJHSZWMUANIIEU-LVZFUZTISA-N 392.499 5.590 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 4824083 UAEHHIODXVIDMC-GXDHUFHOSA-N 386.307 6.402 50 40 GKGB CC/C(=N\NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)C(C)C 5787470 REGQHZCNYIFQPH-YYDJUVGSSA-N 380.532 5.849 50 40 GKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 9190489 UUBWBKIAMMLWIB-XIJPWPHISA-N 379.287 5.036 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3)n2)cc1OC 96024166 VMGOJNJWQLEWIV-KAMYIIQDSA-N 397.887 5.457 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)c(C)c1 208190961 JNLMENJRZFPSPI-BDBXIWDTSA-N 387.527 5.571 50 40 GKGB CCN1c2cc(C)c(/C=N\NC(=O)CCc3ccccc3)cc2[C@@H](C)CC1(C)C 223574462 PDZQFJQCCFOWLX-VPBNWZFVSA-N 391.559 5.190 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)c1C 408966833 NSFJCYOGFLNLIX-STZFKDTASA-N 399.494 5.211 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccccc1 409075896 YYWVIBBNKIOZBG-UDWIEESQSA-N 389.838 5.681 50 40 GKGB Cc1c(/C=C(/C#N)c2cccc(F)c2)c2ccccc2n1Cc1ccccc1C#N 409391137 HOJHFLFMXJUZPU-HMAPJEAMSA-N 391.449 6.073 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C\c3cccc([N+](=O)[O-])c3)n2)cc1 4853359 JDNAFTMSFTVMOL-UNOMPAQXSA-N 389.480 6.125 50 40 GKGB N#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 13027765 DOYXUUZITFJENZ-RHESKXDESA-N 396.559 7.478 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408584044 ZPQAIFXUCIBQDF-XDHOZWIPSA-N 393.845 6.131 50 40 GKGB Cc1oc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)c(C#N)c1C 408599667 YHIAGFMQCDOXJS-OCKHKDLRSA-N 375.859 5.893 50 40 GKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1 408809770 IRWLPXJVIIISKT-DBRLUCFCSA-N 376.500 5.013 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)cc1 408852262 RCPKJWLJCICTEW-FYJGNVAPSA-N 391.873 6.739 50 40 GKGB C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 409053469 CVHWCNSSNSEHNI-OQLLNIDSSA-N 387.266 5.412 50 40 GKGB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSC#N 2281752 YEPPEZCFSNTELI-OAQYLSRUSA-N 384.932 5.376 50 40 GKGB CCCCCCC(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 3079979 HMSZCBUQFWRRMD-FHFGSIGTSA-N 377.488 5.025 50 40 GKGB biogenic N#C/C(=C\c1ccc(O)cc1)c1nc(-c2ccc(Br)cc2)cs1 4878044 JXORMEDRAVMGAQ-NTEUORMPSA-N 383.270 5.342 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3C)n2)cc1 6356342 NVMNBBMAQLEMQT-SFQUDFHCSA-N 379.916 6.311 50 40 GKGB COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 33471235 WTIHJGUDWQBJCP-MOSHPQCFSA-N 386.407 5.247 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1 59116974 VCISDTLDHGXPQM-UYRXBGFRSA-N 388.854 5.465 50 40 GKGB CCN(c1ccccc1)P(=O)(Nc1ccccc1)N(CC)c1ccccc1 97983075 SESWVNOAGDMVBD-UHFFFAOYSA-N 379.444 6.260 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl 408798700 WRTVJYXMYKXWAT-OVCLIPMQSA-N 389.282 5.555 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)cc2)cc1 408877976 ZHWOWOXKVRVVJE-XQNSMLJCSA-N 396.490 5.449 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1 409220576 BRWIXXYCCCBTGD-HKWRFOASSA-N 384.504 6.000 50 40 GKGB Br[C@H]1CC[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1 1563715 DBNPEHNXIFTVSX-UFYCRDLUSA-N 375.306 5.105 50 40 GKGB COc1cc2c(cc1OC)[C@H](Cl)C(c1ccc(Cl)c(Cl)c1)=C2Cl 5811988 RGNHAZPGYSYMHQ-INIZCTEOSA-N 390.093 6.411 50 40 GKGB CCCCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 20814012 DZAJVRGDVPUGAK-HXUWFJFHSA-N 393.512 5.148 50 40 GKGB Cc1ccc(Nc2c(CCCl)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1 27585333 VWOKQQLUBAWMOW-UHFFFAOYSA-N 390.918 5.846 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc2ccc(F)cc2[nH]1 408569660 PGDXWDOMHYCMGB-LCYFTJDESA-N 397.331 6.045 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc(Cl)c1 408599748 ZGNIHXRAMVLRJS-ODLFYWEKSA-N 380.274 6.637 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409055552 JEHMBBFQTLZGNL-RIYZIHGNSA-N 377.227 5.755 50 40 GKGB CCCCCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1 1772599 DVEPEKUNDMAGKG-LTGZKZEYSA-N 376.500 5.925 50 40 GKGB O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccccc1[N+](=O)[O-] 2132618 UFZWCUNXXQJIHO-YTEMWHBBSA-N 397.434 5.107 50 40 GKGB C[C@H](Cl)C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C 2294018 ZHQQSGSXSNYTQK-LHSJRXKWSA-N 376.327 5.789 50 40 GKGB Cc1cc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCl)cc(C)c1Cl 4276722 IMJHCQSRDFGBRR-UHFFFAOYSA-N 392.204 5.945 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccc(C(C)(C)C)cc1 4739652 DQGPWROXDQGUDP-OEAKJJBVSA-N 379.529 5.217 50 40 GKGB COc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)cc1Cl 4775413 QOECSIXNXINWSJ-JJFYIABZSA-N 389.238 5.026 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1 5774399 IDSOPUALOQFQIN-GXDHUFHOSA-N 383.234 5.799 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c[nH]c4ccccc34)[C@@H]2C1 15218237 PTXNBFKYVVSJJY-LDJQZATESA-N 395.510 5.034 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2c(C)cccn12 16742541 HGSMIBMGBOBPKP-HMMYKYKNSA-N 392.462 5.164 50 40 GKGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(OC(C)C)c(Cl)c2)cc1 20198222 XEKCCDCMHWRGAO-HZHRSRAPSA-N 388.895 5.070 50 40 GKGB CCOc1ccc(Br)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 34766420 MPVTZJMNGQAQAH-OQLLNIDSSA-N 396.288 5.405 50 40 GKGB N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1ccccc1F 408940728 UYAOEDGFDOOHDA-WQRHYEAKSA-N 390.389 5.089 50 40 GKGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc21 409265393 HZZOPWRWWDMNNS-YZSQISJMSA-N 387.527 5.126 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)cc(Cl)c3)n2)cc1 4175279 QAHXPYJCBHFQIB-GXDHUFHOSA-N 386.307 6.402 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1ccc(F)cc1 5559431 ZQJFXKKBCZWHFD-DEDYPNTBSA-N 387.410 5.203 50 40 GKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1 30821987 ABHPNDANHPDYFS-MYSNOUKZSA-N 379.287 5.036 50 40 GKGB ClCc1ccc2nc(-c3ccc(I)cc3)sc2c1 73635191 NMWRSKYRWKLAOM-UHFFFAOYSA-N 385.657 5.307 50 40 GKGB Cl[C@@H](CC[C@@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 79979344 NRBGXCOKLPAQMS-OLQVQODUSA-N 389.792 6.502 50 40 GKGB CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F 103528177 GKAPFTMMZYTSLC-SNVBAGLBSA-N 386.186 6.128 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1O[C@@H](C)CC 408545151 ZHPYSJGFKKKYDQ-KPYNCUPYSA-N 399.874 5.678 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)c1C 408548883 MSRKOJKZRCUQKR-QQXSKIMKSA-N 376.503 6.928 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 408599554 WIRARIIJXKEPGR-UNOMPAQXSA-N 390.826 5.891 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 409360989 OKRRRILJKSUKCJ-FSJBWODESA-N 387.266 5.255 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 2110771 RJQQBYFEZQWQGG-FVUCYARPSA-N 388.433 5.257 50 40 GKGB COc1cc(Cl)c(/C=C(/C#N)c2ccc(Br)cc2)cc1OC 17077492 AHSSLPNMDNNZEB-QPEQYQDCSA-N 378.653 5.184 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)n2)c(C)c1 44827404 ZSUWAWAKWJFAGT-OVCLIPMQSA-N 377.425 5.105 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408580220 BGIFUEMZBINMFF-HYARGMPZSA-N 385.463 5.655 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccs1 408842610 OYZVXEAAYMDKTK-CJLVFECKSA-N 380.538 5.336 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)cc3C)c2C)cc1 408934024 KTZKYBQGCLTLBW-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc(Cl)c(Cl)c1 408997369 OALCSHAJMFKKAT-SRZZPIQSSA-N 391.279 5.502 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 409043862 AZAASTBKHCDREH-MDWZMJQESA-N 391.254 5.033 50 40 GKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 2670467 OCWUGSLBMFDFAU-SFQUDFHCSA-N 398.890 5.463 50 40 GKGB CCOC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 4511119 VJKYJWRGNNDNSQ-NVNXTCNLSA-N 376.239 5.042 50 40 GKGB O=C(NN=C1CCCC1)c1ccc(CSc2nc3ccccc3s2)cc1 8101635 ZGIYXMIUNRWRDV-UHFFFAOYSA-N 381.526 5.248 50 40 GKGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c2c(C)ccc(C(C)C)cc1-2 13069785 GFXJBOSUZSTPPN-UVHMKAGCSA-N 391.490 5.233 50 40 GKGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 20787125 IFIPCMDVVBAEHH-YRNVUSSQSA-N 385.172 5.558 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c1C 28216383 NJUISMGNFSBRDD-WWJLXRQJSA-N 391.540 5.033 50 40 GKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 58927947 VAIPGLLVANNUTB-KTMXNEEYSA-N 387.719 5.278 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 147615736 CICJGUNSJXFIBL-STZFKDTASA-N 388.942 7.109 50 40 GKGB CCC/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 4978411 CNXJSGARLQDTPX-WPWMEQJKSA-N 393.490 6.085 50 40 GKGB CCc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@@H]32)cc1 5489516 GFIZBGUBQNMXKW-IPJJNNNSSA-N 384.527 5.115 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc2ccccc2c1 33666046 RNABSTYPXGHJFX-XDHOZWIPSA-N 399.833 6.516 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 408581801 ZLIJVLMOPXHZBJ-XDHOZWIPSA-N 380.274 6.637 50 40 GKGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1cccc2ccccc12 409019059 XYUIYMNDVGEGSE-OVVQPSECSA-N 396.490 5.475 50 40 GKGB O=C(CCCCCBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575360838 JJKXBEKRTKFDKX-UHFFFAOYSA-N 391.149 5.862 50 40 GKGB O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 1722612 YTRIFDOUNIQSBZ-UHFFFAOYSA-N 377.230 5.609 50 40 GKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 59473680 ZPUGXROHRLHMIO-JJIBRWJFSA-N 390.508 5.142 50 40 GKGB Fc1cccc(-c2nc3cc(C(Br)Br)ccc3o2)c1 216838013 SLMXGBKWMUOHPI-UHFFFAOYSA-N 385.030 5.422 50 40 GKGB COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccccc1C 226335237 VCJJYCOYHVOFTI-BQYQJAHWSA-N 395.680 5.124 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(F)cc1 408599738 JWIXAQWCOUUFOR-CVKSISIWSA-N 391.490 5.295 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C 408777845 KDKBUVIOPJTGDG-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408801173 RYIIILJTOHDTID-ZGPWBKFBSA-N 377.532 5.213 50 40 GKGB Cc1cccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1C 409187015 KVUMHHMIJGVWGM-UUYOSTAYSA-N 399.903 5.857 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 40161128 SFKPAZZITDBPPJ-KOTGUFOOSA-N 379.300 5.081 50 40 GKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 59297356 ASLRRTHDSHYXLD-MHWRWJLKSA-N 399.288 5.010 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc(C)c1 113834454 GNMOYESPPBFVBY-DEDYPNTBSA-N 395.462 5.523 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(Cl)c1 408598506 BSYIZOPQYZFRMB-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 408599063 OFRMTKUEOQBBLX-XDHOZWIPSA-N 386.857 6.546 50 40 GKGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2cccc(Br)c2)cc1 408851025 UQFMFQIRYJXNRC-VKAVYKQESA-N 392.300 5.370 50 40 GKGB O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)Nc1ccccc1 409091751 UESXRYDSZMIXMD-MYYYXRDXSA-N 389.499 5.016 50 40 GKGB CN(c1ccc(SC#N)cc1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 1426173 UOHNIKZOKNHWPP-UHFFFAOYSA-N 386.542 5.133 50 40 GKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1 4812904 SKXIWASEIMJLPH-GHRIWEEISA-N 383.407 5.064 50 40 GKGB C=CCNC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1 6456632 MSQCOWGHRSQBQG-UZYVYHOESA-N 379.463 5.366 50 40 GKGB CC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c1C 6646360 GIHWSPFDIPSZDY-FYJGNVAPSA-N 398.462 5.203 50 40 GKGB N#C/C(=C/c1cc(Br)c(Br)o1)c1ccc(Cl)cc1 9323012 VZLZCQUXHUQKOF-UITAMQMPSA-N 387.458 5.522 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 100035091 WZYIHOQIKRKZJZ-NCELDCMTSA-N 396.531 5.676 50 40 GKGB O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(CSc2ccc(Cl)cc2)cc1 103451779 QGTBQSHZWQMDNC-RDELLKJKSA-N 396.943 5.560 50 40 GKGB CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 107955941 SFOCYFZQHHWIRZ-VARQLJSGSA-N 387.612 6.336 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(Cl)cc3)cc21 208237478 WPEDPTNRIBSWFN-DUPVFGOHSA-N 385.338 6.780 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)C(C)=CC(C)(C)N2C 208448755 CGVBNGODHOHWKB-MOSHPQCFSA-N 385.511 5.426 50 40 GKGB N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccccc1 408760248 VJQWXRJLSOWIPQ-HKWRFOASSA-N 377.447 5.344 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408788072 IBYYTTNJBAORIY-MHWRWJLKSA-N 399.288 5.010 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)c1C 408850744 DOQIBLWGNXPOMJ-VXLYETTFSA-N 376.500 5.802 50 40 GKGB CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 408880634 HNJWDKQITGZEPJ-OEAKJJBVSA-N 393.314 5.716 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc2c(c1)OCO2 409366292 TXDIIZURKBJYQR-QPEQYQDCSA-N 394.770 5.301 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C/C=C/c2ccccc2)nc1-c1ccc(C)cc1 2367601 OLTILNKRKAHMSA-MBPRGYFXSA-N 385.492 5.697 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc2ccccc2[nH]1 4067463 UBUCCDRFSOZMKS-SDNWHVSQSA-N 379.341 5.906 50 40 GKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)c3ccc(F)cc3)c2)cc1C 4814024 MYRIVDXNOAENRJ-LFOKZAPISA-N 390.418 5.327 50 40 GKGB Cc1ccc(C(=O)/C=C2/SS/C(=C/C(=O)c3ccc(C)cc3)S2)cc1 5051898 FQKPINNOUFFAKI-AYKLPDECSA-N 384.547 6.180 50 40 GKGB CCC1(CC)Cc2ccccc2C(NC(=O)Nc2cccc(Cl)c2)=C1C#N 15841441 BLOADSJGVNQWKM-UHFFFAOYSA-N 379.891 5.759 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c(F)c3)n2)cc1 90427209 AYYUTDPQGJKVSM-SDNWHVSQSA-N 383.423 5.464 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2C(C)=CC1(C)C 208509228 UTMVUOWWIHLOFT-WPWMEQJKSA-N 397.522 5.626 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)cc2)cc1 408746668 VEUVQIGRRRCHOM-QNGOZBTKSA-N 398.462 5.128 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)o1 408808950 GAHDJYSKVBZJEZ-UVTDQMKNSA-N 380.806 5.593 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)c1nc2ccccc2[nH]1 4149823 SFXSMWCHXDUHEY-QGOAFFKASA-N 392.437 5.769 50 40 GKGB Cc1cccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccccc3Cl)s2)c1 4749763 ROVZRPKZVVQMKY-GZTJUZNOSA-N 393.899 5.241 50 40 GKGB CCOC(=O)c1cccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)c1 5920816 VZEDXQCQUUAFOI-GHRIWEEISA-N 383.407 5.064 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1C 6234104 ADTRKWSTQITRLJ-ZMOGYAJESA-N 380.875 5.218 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c(F)c3)n2)cc1 90427206 AKKRRZRUKSBUCM-SFQUDFHCSA-N 395.478 6.263 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccn3)o2)cc1Cl 408987514 BFXFYIKJWRMFHR-GXDHUFHOSA-N 395.871 5.333 50 40 GKGB COc1ccc(/C=C/C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 409060405 ROJRDLCOSLPCLK-XSAQUTRMSA-N 380.447 5.165 50 40 GKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 409117643 PQQQSINQVKCKQH-CVLFLDGLSA-N 398.531 5.932 50 40 GKGB C[C@H](Cl)CN(C[C@@H](C)Cl)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 1678230 ANGDJWZQAUECOB-BETUJISGSA-N 379.287 5.227 50 40 GKGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 2640213 QEIMQRRBIYDCCI-UHFFFAOYSA-N 399.492 6.102 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4953656 PTUVPNGZAUTRLW-BJMVGYQFSA-N 396.617 5.101 50 40 GKGB COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 5022312 TXSZTYKEULJTRM-YBEGLDIGSA-N 380.856 5.314 50 40 GKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccs1 5604998 HOKMQDQBTJUGEY-BUVRLJJBSA-N 386.476 5.244 50 40 GKGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cccc4ccccc34)sc2c1 6279336 ASKVYNKYIRAWBA-FSJBWODESA-N 378.884 5.780 50 40 GKGB COc1cccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 34780531 SYAJBJOILAGTLU-OVCLIPMQSA-N 397.297 5.645 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 59432876 QYYIOISEXYPDRJ-LFIBNONCSA-N 387.395 5.017 50 40 GKGB Cc1ccc(Cn2cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 107668265 GJDBLXVXGGSSGJ-BKUYFWCQSA-N 393.446 5.970 50 40 GKGB FS(F)(F)(F)(F)c1ccc(CBr)c(Br)c1 169806263 SZTODRUTIZVHTK-UHFFFAOYSA-N 375.982 6.001 50 40 GKGB CCN1c2cc(C)c(/C=N\NC(=O)Nc3ccccc3)cc2[C@H](C)CC1(C)C 208318886 QTNLSZUKMCCYIX-WMWHPZEKSA-N 378.520 5.263 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)c1 408762788 MDAFLEQGQBTOSZ-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1 4354954 ZVSPQSLUGOLEMO-QSFXBCCZSA-N 390.918 5.206 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 6329622 KNZVHMFERKRUEL-FSJBWODESA-N 386.282 5.165 50 40 GKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1 9263424 OBIXNTFBXCCLKV-SDNWHVSQSA-N 388.408 5.279 50 40 GKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc3ccccc3c2)c1C 408549413 SKKPNMZGSJDZIW-OYKKKHCWSA-N 396.921 7.273 50 40 GKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc2ccccc2c1 408550618 IKRHUNAOWRHGBI-BKUYFWCQSA-N 393.402 5.999 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O 408578991 CGGJNYXWEFFATB-VZUCSPMQSA-N 379.199 5.070 50 40 GKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2)cc1 408579712 JSWPFBOTSBAFNU-UDWIEESQSA-N 394.301 6.945 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3cccc(F)c3)c2)cc1OC 408580976 FLMJDZIICGIUQS-RGVLZGJSSA-N 389.426 5.486 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 408598820 BJNMSIBOYQXWHD-OQLLNIDSSA-N 396.288 5.424 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(N2CCCC2)cc1 408677486 QZXNRGKTDMKKAT-OVVQPSECSA-N 393.490 5.357 50 40 GKGB COc1c(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)sc2ccccc12 2276264 HWBSWUYGQOKBIO-BUVRLJJBSA-N 386.476 5.341 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C/[C@H](C)c2ccccc2)nc1-c1ccccc1 2346338 GRGHKBFVLPFRHW-TWQQJCIXSA-N 387.508 5.869 50 40 GKGB O=C(CCl)Nc1cc(-c2ccc(C3CCCCC3)cc2)nn1-c1ccccc1 3410621 RZPAZGDRGPDLCT-UHFFFAOYSA-N 393.918 5.764 50 40 GKGB O=C(CCl)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 3885284 CHKHGJBMVRVZGK-PDHWYABUSA-N 376.934 5.171 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1ccccc1 24494661 LYPVGMCXMUNOMO-YBEGLDIGSA-N 397.261 5.477 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccccc3Cl)cc21 223475779 SWMXRPJZDDVMOF-AFUMVMLFSA-N 395.934 5.514 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)o1 408726197 ABKVWFNEEIBJSL-FSJBWODESA-N 387.266 5.255 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c1C 408965461 HNPHZYCHLQDHQI-BKUYFWCQSA-N 394.440 6.740 50 40 GKGB Cc1c(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)ccc([N+](=O)[O-])c1C 4149632 OJXJBQATLMYHMV-RVDMUPIBSA-N 384.395 5.412 50 40 GKGB CCC1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)CC1 4925529 MWGKWGYJRWMVHR-UHFFFAOYSA-N 397.382 5.230 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=C/C#N 118923059 ULTCYCMQPDCQLQ-KLYCCDGISA-N 397.603 6.391 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c1C 408566861 IPTUVYPEDUTLPR-ODLFYWEKSA-N 384.458 5.791 50 40 GKGB COc1cccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C 408970636 JMZPGYQEAPFFNM-NKVSQWTQSA-N 393.295 5.289 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)c(C)c1 408997730 OHCCNBSNBUVQSK-UCQKPKSFSA-N 397.522 5.874 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409043845 AWLRGLYZXJJGHM-CIBMEXNLSA-N 396.918 5.195 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3)n2)cc1 4175226 OABJZIMHNRCXQY-QGOAFFKASA-N 393.943 6.639 50 40 GKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(Oc2ccc(Cl)cc2)c1 5446630 RDSOIRJYAXLBNM-RGLVEJBUSA-N 394.902 5.734 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccc(F)cc2)o1 100392456 NWQUUVLBWUNTPJ-MFOYZWKCSA-N 382.398 5.094 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1 108207798 CIPQANLREZRTJS-RGEXLXHISA-N 388.854 5.465 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1 212546428 YJKVVVXWTDZSLP-LCYFTJDESA-N 395.758 5.481 50 40 GKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C 408809981 SUQLCUDTFNXQSP-KGENOOAVSA-N 399.494 5.265 50 40 GKGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)o1)c1nc2ccccc2[nH]1 408988424 DLKIXTCIHAMRFV-DTQAZKPQSA-N 394.459 5.919 50 40 GKGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Cl)c1Cl 3083505 PDGXEMXCEMMWIJ-ZXCVBSDHSA-N 387.266 5.064 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Cl 3616011 ZETNMHNFHGAPKY-SDNWHVSQSA-N 393.786 5.054 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1OCC 17286368 PVTSUUOGCPYXAS-LFIBNONCSA-N 396.537 6.123 50 40 GKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(F)cc1 58919256 VLXNXGUGQWFWOF-MFKUBSTISA-N 390.483 5.169 50 40 GKGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1Cl 59138075 WHEWIVUKFVYELU-RAXLEYEMSA-N 390.270 5.122 50 40 GKGB CCCCCCCCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 100500815 MLRJUXQTOGJYLD-AZUAARDMSA-O 391.016 5.619 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2[C@@H](C)CC1(C)C 223527939 AOLPLYOJPNFDSB-BGHCKBSUSA-N 383.923 5.216 50 40 GKGB O=C(c1ccc(Br)cc1C(F)(F)F)[C@@H](Cl)c1ccccc1 229510761 WQSZKOMNSSMKOX-ZDUSSCGKSA-N 377.587 5.631 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408568015 HQQXBNTUJALMID-UNOMPAQXSA-N 383.426 5.654 50 40 GKGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408938445 QSSXWDGEMRXFOB-ZROIWOOFSA-N 375.255 5.328 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C 408967919 SUMVTNRGIWGEDZ-ZVHZXABRSA-N 379.891 5.074 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)cc1Cl 408986567 NBUFSQLLWATOSX-GDNBJRDFSA-N 397.261 6.108 50 40 GKGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 17474043 FRLHPQFGRNXFLL-NTUHNPAUSA-N 383.816 5.141 50 40 GKGB N#Cc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 94781590 WFEIDKJTPNKTQC-UHFFFAOYSA-N 378.415 5.367 50 40 GKGB COc1ccc(OC)c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c1 100331387 DKAQEXJGPGUWMQ-FOWTUZBSSA-N 377.469 5.112 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408804761 BFIAZHJDIBJVOZ-SAPNQHFASA-N 390.870 5.828 50 40 GKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 408999068 JWUIMJXHRZWOQB-FMCGGJTJSA-N 386.282 5.165 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(C)c1 409006368 IYSMJYZKXSKRGV-OEAKJJBVSA-N 397.522 5.874 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Cl 409011359 GGRYBUBNKOVLSU-DTVDJLOLSA-N 395.890 5.072 50 40 GKGB N#CC1=C(N)SC2(CCCCC2)S[C@H]1c1cccc(Br)c1 1875863 BZKPMGDMEDCGFN-AWEZNQCLSA-N 381.364 5.324 50 40 GKGB CC(/C=C/c1ccccc1)=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 4611314 HEIPNVHWYKRWMW-SWNLKJIVSA-N 397.689 5.231 50 40 GKGB N#CC(NC(=O)c1cccs1)=C(Sc1ccccc1)Sc1ccccc1 27988107 PDDZZCDYRGAFCL-UHFFFAOYSA-N 394.546 5.755 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C 28217367 VCOSQFHZNLSTMB-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 83306110 BDRLNCMBRVNKCM-XMHGGMMESA-N 387.822 5.349 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 408532019 PIXINVNGFDTMJJ-ZHZULCJRSA-N 390.280 6.092 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)C1CCCCC1 1810773 RNCXLXFOGJZWOT-CPNJWEJPSA-N 395.886 5.898 50 40 GKGB CCc1ccc(/C=N/NC(=O)c2sc3cc(Cl)ccc3c2Cl)s1 2759317 JPFAFBHLBZYLJQ-UFWORHAWSA-N 383.325 5.596 50 40 GKGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 6240312 WRKIKQAUZXSRLQ-BJMVGYQFSA-N 386.065 5.846 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(C(F)(F)F)cn1 22958702 NUJNIHSVLBTRBR-FMIVXFBMSA-N 385.301 5.333 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc12 59133461 HUKRVRHOPBJIFU-LFIBNONCSA-N 376.843 5.356 50 40 GKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2cccc(C#N)c2)c1C 408566200 FEPABONVDHGLBE-JAIQZWGSSA-N 387.870 5.692 50 40 GKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(OC)c1 408991015 YQODBIGEJPMVOM-ATVHPVEESA-N 397.906 5.049 50 40 GKGB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCl 2346628 ZHFGRJSNRDNIJJ-UHFFFAOYSA-N 385.963 5.425 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)c([N+](=O)[O-])c1 6473362 VWCOSXFKSJXGDI-JXAWBTAJSA-N 380.403 6.381 50 40 GKGB N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 8381686 CQHBHJFMSWSQQZ-HMMYKYKNSA-N 397.478 6.593 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccccn2)o1)C(=O)Nc1cccc(Cl)c1 408991464 OHCACCNMWKMHJQ-JLHYYAGUSA-N 381.844 5.025 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 1453343 MSFTXRQWDRMAKH-FOWTUZBSSA-N 396.368 5.820 50 40 GKGB C[C@@H](Cl)C(=O)N1c2ccccc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C 2294017 ZHQQSGSXSNYTQK-SZNDQCEHSA-N 376.327 5.789 50 40 GKGB CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 2752955 VBMCULIYFFTRFL-YZSQISJMSA-N 395.462 5.064 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\Nc3cccc4ccccc34)n2)c1 100840024 HYFHGPLSEHQTSG-JXAWBTAJSA-N 383.476 5.948 50 40 GKGB Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)c([N+](=O)[O-])cc1C 252490149 KKKBXGFYTBTKFR-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccccc3F)cc2[C@H](C)CC1(C)C 260562621 ATXSDTZYUOUHSI-FRQJIFLKSA-N 381.495 5.090 50 40 GKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1 408580608 PXKCUPIEFXMZCW-CJLVFECKSA-N 395.889 7.136 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 408581002 FWIHVKZOUAUSDP-DEDYPNTBSA-N 375.855 5.992 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3225939 XVXCRILPBMXZCE-FOWTUZBSSA-N 387.405 5.097 50 40 GKGB Cc1ccc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 4174890 VNFNGIYHCSZXDZ-SXGWCWSVSA-N 381.298 5.945 50 40 GKGB C=CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 4553918 AINPHGSBIXMRCE-XDHOZWIPSA-N 388.492 5.756 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc2ccccc2[nH]1 4813468 BDSYIPUYZXAGCR-UKTHLTGXSA-N 380.234 6.194 50 40 GKGB CN(C)c1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1Br 6356931 PQLQMPNMXFAOPL-SFQUDFHCSA-N 377.285 5.732 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1 16410122 YFUCIMUETKQUND-KGENOOAVSA-N 398.462 5.128 50 40 GKGB CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97949751 GBJFFNJJPBMORJ-UHFFFAOYSA-N 375.516 6.341 50 40 GKGB Cc1ccc(-c2nc(/C=C(\C#N)c3nc(-c4ccncc4)cs3)cs2)cc1 98055266 IKIFCXBHJDXXNL-LICLKQGHSA-N 386.505 5.701 50 40 GKGB ClC[C@@H](Cl)CCCCCCC[C@H](Cl)CC(Cl)(Cl)Cl 100369916 IWXWHHDLRXAPJT-QWRGUYRKSA-N 377.010 6.931 50 40 GKGB in-vitro Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1Cl 408990739 YKHVEWZDIPJIPY-GDNBJRDFSA-N 397.261 6.108 50 40 GKGB N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)C(=O)NC1CCCC1 409191517 YAFWTNOLGKPUDY-DTQAZKPQSA-N 382.916 5.457 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)cc1 5587462 IOIVYYJQFAXDGV-QGOAFFKASA-N 381.907 5.103 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)cc1 5632579 VSVCXJPGUWFMPR-LTXUPPABSA-N 392.543 5.241 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc2ccccc2[nH]1 33926802 BDSYIPUYZXAGCR-LCYFTJDESA-N 380.234 6.194 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 58822932 BTZPCCLRZPNDPJ-XNTDXEJSSA-N 380.806 5.593 50 40 GKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 59255516 USCAYOIFZYSPPR-GZTJUZNOSA-N 396.874 5.158 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)c1 408871855 YIJLGIPQQZPNSF-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408967484 SGSWANYFUOCSNQ-YSMPRRRNSA-N 397.482 5.106 50 40 GKGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(C)cc3)sc2c1Cl 408969414 NIKZIDRAKZXTNV-NKVSQWTQSA-N 393.295 5.289 50 40 GKGB O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc(Cl)cc1 1414994 MEOPLDRTVGWZAR-UHFFFAOYSA-N 379.272 5.266 50 40 GKGB Clc1ccccc1C(CI)c1ccccc1Cl 1705315 ZFHCMTYZVKKBNR-UHFFFAOYSA-N 377.052 5.560 50 40 GKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@H]2Br 2666646 OSCXACVZPRKXIO-MAZHCROVSA-N 391.136 5.522 50 40 GKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@H]2Br 2667729 PLHCLBIFHOAOBA-MAZHCROVSA-N 391.136 5.522 50 40 GKGB O=C(N/N=C(C#Cc1ccccc1)/C=C/c1ccccc1)c1ccc(Cl)cc1 3117303 FXMMSABIKXWHKV-MDCVVYCNSA-N 384.866 5.191 50 40 GKGB N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1cccc(Cl)c1 16749885 MVNJZTNBZCLHAL-GHRIWEEISA-N 398.853 5.200 50 40 GKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)cc1 32125489 SKXIWASEIMJLPH-LGMDPLHJSA-N 383.407 5.064 50 40 GKGB N#C/C(=C\Nc1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 100417272 LHRHZLJHKIAUGI-SDNWHVSQSA-N 389.411 5.032 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 408580393 PELJUHOVABCFAZ-PXLXIMEGSA-N 382.463 5.385 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cc(C)cc(C)c2)cc1 408873310 SQJRPBRSZMXZLR-LFVJCYFKSA-N 380.491 5.748 50 40 GKGB COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1OCc1ccccc1 4475577 IXAOECJGWSVLRH-XMHGGMMESA-N 398.487 5.948 50 40 GKGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccccc1F 6045797 NOXWESCYIWMIFH-AQTBWJFISA-N 397.409 5.801 50 40 GKGB CCOc1ccc2nc(/N=C(O)/C(C#N)=C/c3c[nH]c4ccccc34)sc2c1 41120797 QHLXPCRQVVBYCZ-UKTHLTGXSA-N 388.452 5.371 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 107722308 DWIPPGZQOUEPBD-UNOMPAQXSA-N 390.826 5.891 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl 408796833 ZHECAYKSEOUOQJ-VGOFMYFVSA-N 375.255 5.165 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCCC 409072256 MUYXQOIQPBAGRR-XSFVSMFZSA-N 390.483 5.067 50 40 GKGB C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(Cl)s1 4148587 NJGQZBPREFNCLE-OEAKJJBVSA-N 395.915 5.440 50 40 GKGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 16157378 NKCSDZOILTWNOF-HZHRSRAPSA-N 388.964 5.411 50 40 GKGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)c(OC(C)C)c(C)c2)cc1 20198241 CGMAZYNIBZIBGE-HKOYGPOVSA-N 382.504 5.033 50 40 GKGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 89578141 KMEQFMNULCMMTG-YIYUENNCSA-N 375.447 5.052 50 40 GKGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 96569519 MBTPUAATKMKGFF-WDZFZDKYSA-N 381.646 5.201 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21 208207551 WLGLHWVSJUGMOS-ZCQLHAAUSA-N 393.918 5.608 50 40 GKGB N#C/C(=C/c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccc(Cl)c(Cl)c1 408762305 ANFDLMFGAPXEBT-YBEGLDIGSA-N 393.273 5.791 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OC(C)C 408819891 YVGWIJQXXFYUEO-GZTJUZNOSA-N 398.890 5.380 50 40 GKGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 408846885 LJZKWVVZGIMMNN-SSDVNMTOSA-N 392.673 5.201 50 40 GKGB CC(C)(C)c1ccc(OCC(=O)NN=C2CCC(c3ccccc3)CC2)cc1 5783908 YNZWHZAZFMXNNT-UHFFFAOYSA-N 378.516 5.193 50 40 GKGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1 33377843 IOXWPRNLZHPORU-UYRXBGFRSA-N 381.435 5.215 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 96400826 SFYWYLSTAIUVSL-ZROIWOOFSA-N 382.872 5.545 50 40 GKGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2c1 408787523 BHASEVQEBSPTOL-XNTDXEJSSA-N 392.842 5.056 50 40 GKGB Cc1cccc(-n2cccc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C 409023898 MHYJYTMZQPAUOW-CFRMEGHHSA-N 391.858 5.258 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)S(=O)(=O)c1ccc(Cl)cc1 2695944 XHDNSHVNZAOQHN-WOJGMQOQSA-N 387.819 5.077 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 2708450 YCPQPSQKNPKAJH-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB CCCCCCCCCCCC(=O)N/N=C(\c1ccccc1)c1cccnc1 8397642 UFQRTUAFWPDIEW-SOYKGTTHSA-N 379.548 5.871 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 59201478 HZUAVLYVRQZALW-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc(F)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223590849 AHCTUBNXJLCZNY-HSOLMKNUSA-N 395.522 5.399 50 40 GKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1OC 408541413 ZKVVNRWDNICSFO-HAHDFKILSA-N 388.895 5.072 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1F)c1nc2ccc(F)cc2[nH]1 408569004 LXKMKDCNJCTTEP-BOPFTXTBSA-N 387.389 5.484 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12)c1ccccc1 408794680 ATEMUPIWFLRABK-IPEVAPCJSA-N 376.459 5.777 50 40 GKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)c1 408854809 BRKIXUGHERDXJI-VXLYETTFSA-N 376.500 5.802 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C 408960014 HZVCCMIRQBWQGZ-AFUMVMLFSA-N 393.918 5.382 50 40 GKGB COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1 1243970 ZTANXDBBZBQMOP-FOWTUZBSSA-N 389.480 5.190 50 40 GKGB Cc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 1660026 XLYWYUXQXXUCGD-LSDHHAIUSA-N 382.095 5.077 50 40 GKGB O=C(c1ccccc1)[C@H](Br)[C@@H](C(=O)c1ccccc1)c1ccccc1 1759446 HYUAUXQISNIYJN-VQTJNVASSA-N 393.280 5.300 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C/c2ccc(F)cc2)nc1-c1ccc(C)cc1 4899361 PIRLPHOHFDFHCN-GZTJUZNOSA-N 377.444 5.280 50 40 GKGB O=C(N/N=C/c1ccccc1)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 5338297 HIDQBNZHKOCEDW-CVRJKMDCSA-N 393.490 5.277 50 40 GKGB N#C/C(=C/C=C\c1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 25607746 DOYXUUZITFJENZ-FIRJLRIKSA-N 396.559 7.478 50 40 GKGB CC(C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br 107573214 WRNOGDHAVMUBHU-NVNXTCNLSA-N 387.233 5.209 50 40 GKGB Cc1cc(C(C)(C)C)c(O[Si](C)(C)Oc2cccc(F)c2)c(C(C)(C)C)c1 195814765 RIOPDCKCUXPXNB-UHFFFAOYSA-N 388.599 6.889 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NCc1ccccc1 2735751 MGEXDBJLCHUCBR-SFQUDFHCSA-N 396.368 5.189 50 40 GKGB O=C(N/N=C/c1ccco1)c1ccc(COc2ccccc2-c2ccccc2)cc1 3253071 RIZNOSMZBRDJRC-YZSQISJMSA-N 396.446 5.290 50 40 GKGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 4714693 PQBDXVHWSLBKOC-WCIBBKAISA-N 390.508 5.251 50 40 GKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NC1CC1 5900240 NDYGPPVDYNBCMI-XSFVSMFZSA-N 391.474 5.028 50 40 GKGB Cc1ccc(C)c(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)c1 33719346 GTTUSHQSKZSTKG-ATTDUZETSA-N 375.497 5.203 50 40 GKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1cc(C)cc(C)c1 59401720 SOOXGGKFXGRHQN-LYBHJNIJSA-N 382.573 5.397 50 40 GKGB O=C(N/N=C/c1ccccc1F)c1ccc(CSc2ccc(Cl)cc2)cc1 59473475 CQVNTRBYDHPAEM-ZMOGYAJESA-N 398.890 5.535 50 40 GKGB Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1 100839986 FKBVRBYQPUGOJT-UVTDQMKNSA-N 386.307 6.402 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408798393 ICPCSKDRNGJYQF-GZTJUZNOSA-N 398.890 5.245 50 40 GKGB CC(C)COc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409047300 ODEPWONMAQQREP-VIZOYTHASA-N 391.254 6.001 50 40 GKGB Cc1ccc(Cn2cc(/C=C(/C#N)c3ccc4c(c3)OCO4)c3ccccc32)cc1 409359209 ADEPCBWHNLNCNT-MTJSOVHGSA-N 392.458 5.791 50 40 GKGB Cc1ccc(C(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 1660024 XLYWYUXQXXUCGD-HUUCEWRRSA-N 382.095 5.077 50 40 GKGB Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 5737902 VGLYYEJVYREUJP-WJDWOHSUSA-N 376.441 5.312 50 40 GKGB CCCCCCCCCCCCCCCC[C@@H](Br)C(=O)OCC 100306518 XWNFINQDWGXIOT-LJQANCHMSA-N 391.434 7.184 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C 408526479 CEMSKYLVZGARLM-MOSHPQCFSA-N 391.312 6.229 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 408549963 CFAASYAYYQVSLN-JCMHNJIXSA-N 397.930 7.709 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2)cc1 409231020 HOYTVLJXUQSDBD-HKWRFOASSA-N 384.504 6.000 50 40 GKGB Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 2064333 FYQALHMZCWSFJS-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB N#CC(C#N)=C/C=C(\Sc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 2557681 MYJXMXPFLOROOO-IUXPMGMMSA-N 391.710 6.754 50 40 GKGB Clc1cccc(/N=C2/NCCN/C(=N\c3cccc(Cl)c3)SS2)c1 17110387 BYXGNUJVMYRXSW-UHFFFAOYSA-N 397.356 5.243 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)Cn1cnc2ccccc21 408691737 OGFRIFQOFFTTLJ-UNOMPAQXSA-N 399.881 5.876 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)c1 408878038 VSXRFKFLYCUTGN-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 409357251 HYTOBVACZAQZGC-PTNGSMBKSA-N 375.340 5.136 50 40 GKGB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](Br)C21OCCO1 4044570 QAHFVTOKOXJWRU-MAPHFDCTSA-N 395.381 5.312 50 40 GKGB biogenic CC(/C=N\NC(=O)CCC(=O)Nc1ccc(C)cc1)=C\c1ccc(C(C)C)cc1 33369731 GLEQZQHHWXUHOX-SEBDCFKDSA-N 391.515 5.043 50 40 GKGB c1ccc(C2(c3ccccc3)CC(c3ccccc3)(c3ccccc3)OO2)cc1 68571848 SPJBYVWKCKPPRR-UHFFFAOYSA-N 378.471 6.226 50 40 GKGB biogenic N#C/C(=C/c1c[nH]c2ccc(Br)cc12)c1nc2ccccc2s1 96398828 ZOWUXYHRNMRDBN-XFFZJAGNSA-N 380.270 5.604 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)c1ccc(Cl)cc1Cl 408579069 CWWNCPSFDNCVFZ-GZTJUZNOSA-N 398.264 6.776 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Cl 408580538 CFCLVPMUPIORMQ-OVCLIPMQSA-N 388.250 5.087 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 408609143 YYGJUZGYMQKYRK-QGOAFFKASA-N 396.406 5.114 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 409361394 HCQWILVAFSMMLL-ZHZULCJRSA-N 390.280 6.092 50 40 GKGB O=C(O)CCCCCCCCCCCCCCCCI 5113085 UBQLJCFBCITRNR-UHFFFAOYSA-N 396.353 6.358 50 40 GKGB C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc2ccccc2c1OC(F)F 6046615 NRFRJLIZJSTKRB-MFKUBSTISA-N 382.410 5.212 50 40 GKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1nc2ccccc2[nH]1 6315896 BHFDXBKLIVWUOH-ACCUITESSA-N 383.436 5.248 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c(C)c1 6392611 IISZJYYRBYSGNS-PDGQHHTCSA-N 379.891 5.103 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=C/C#N 118923057 ULTCYCMQPDCQLQ-DRTLKDJTSA-N 397.603 6.391 50 40 GKGB N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 408543633 RQJMANCVTLXGON-QGOAFFKASA-N 391.879 6.254 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCC 408566569 ANEOMKGTCJGIOS-BOPFTXTBSA-N 391.446 5.292 50 40 GKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409042421 MWRSTXITARHQCZ-MDWZMJQESA-N 393.245 5.467 50 40 GKGB C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc2c3c(cccc13)CC2 14922026 QBGYTZHJZBPONZ-WPWMEQJKSA-N 378.475 5.175 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 409220834 GMRCWZONEKLKKY-QNGOZBTKSA-N 398.531 6.309 50 40 GKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3cccs3)cc2)cc1 3276424 GMFUEPGNNANIIC-BUVRLJJBSA-N 392.524 5.389 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 9187457 GRFFFROHXVGOQE-XMHGGMMESA-N 381.479 6.186 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OC(C)C 33720928 ILZMCRIOSNURNM-SXGWCWSVSA-N 395.890 5.775 50 40 GKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1 97981415 BTVIJBOOUJPBIX-NKFKGCMQSA-N 390.527 5.649 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2[C@H](C)CC1(C)C 208304801 CSNSVQDAVVCHDW-LZCVXGSNSA-N 383.923 5.216 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1OC 408581165 GYPLRZBIWPWHMX-UDWIEESQSA-N 389.426 5.486 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 408788594 LLQFZOVEKUDPSF-RIYZIHGNSA-N 375.255 5.246 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 33347206 VRLDMPWAFAQWAL-UNOMPAQXSA-N 390.826 5.891 50 40 GKGB CCCCCCOc1ccccc1C(=O)N/N=C/c1c(Cl)cccc1Cl 59377304 YLLXLLMKTPXPGI-OEAKJJBVSA-N 393.314 5.716 50 40 GKGB COc1cccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1OC(C)C 63412627 VJNLGSORSBVNME-GZTJUZNOSA-N 377.469 5.065 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 96476382 BPWJJPZOFBGLRP-RAXLEYEMSA-N 398.249 5.035 50 40 GKGB O=S(=O)(c1ccccc1)[C@@H]1[C@@H]2c3ccccc3[C@@H]1c1ccccc1[C@H]2Cl 104091237 UJHROKOHZLQDOP-YSFYHYPLSA-N 380.896 5.052 50 40 GKGB CCN1c2cc(C)c(/C=N\NC(=O)CCc3ccccc3)cc2[C@H](C)CC1(C)C 208320349 PDZQFJQCCFOWLX-FDRCZSESSA-N 391.559 5.190 50 40 GKGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cccs2)C2=C1CCCC2=O 1436317 GMRYVSFZLVLVFN-LJQANCHMSA-N 395.915 5.015 50 40 GKGB CC1(C)C=C([C@H](Br)c2ccc(Cl)cc2)C(=O)c2ccccc21 1754595 BDYNSETUNJKRQN-QGZVFWFLSA-N 375.693 5.877 50 40 GKGB COc1ccccc1N1C(C)=CC(=C(C#N)c2nc3ccccc3s2)C=C1C 3170355 OLJLWINKWKEFDG-UHFFFAOYSA-N 385.492 5.910 50 40 GKGB aggregator CC(C)c1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccccc2)cc1 33665218 SMDGJRJELLVUGJ-XQNSMLJCSA-N 377.491 6.272 50 40 GKGB CCCCC[C@@H](I)CC(F)(C(F)(F)F)C(F)(F)F 72265606 GSQPSJXGCXEMDW-SSDOTTSWSA-N 394.112 5.593 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408733871 BPNMAVURDMDORZ-FOWTUZBSSA-N 376.843 5.438 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(Cl)c1 409007371 OGCHPYHNMJMJII-IWIPYMOSSA-N 380.875 5.436 50 40 GKGB O=C(c1ccccc1)[C@@H](Cl)[C@@H](c1ccccc1)[C@]1(Cl)CCCCC1=O 4770991 VXYDXULHYXNWKC-DYXWJJEUSA-N 375.295 5.381 50 40 GKGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(Cl)cc4)nc(O)c23)C1 4865336 ONZHGSQTDGPEIT-VSXLWIIGSA-N 381.888 5.239 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1C1CCCCC1 12621487 TWVCCWFQUUQEPV-HZHRSRAPSA-N 397.522 6.309 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)cc2)cc1 59432871 UYECBBIKFZPJOT-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)cc1 408566599 HWJBRAKWCVUULW-UCQKPKSFSA-N 395.462 5.207 50 40 GKGB Cc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 408757237 WUCMYELXPQMAQS-WGOQTCKBSA-N 394.559 5.379 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408872919 LINKMBCXPLLEBA-POSBYCEFSA-N 396.918 5.195 50 40 GKGB CCn1c2ccccc2c2cc(/C=C(\C#N)c3nnc4n3CCCCC4)ccc21 5525114 HVCIEINIJXHYBO-NBVRZTHBSA-N 381.483 5.196 50 40 GKGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(CSCc2ccccc2)cc1 59473187 DPEHNMYXIGTSCV-ZVHZXABRSA-N 378.472 5.023 50 40 GKGB C=C[C@H]([C@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1 98175054 AKQMJCCGNHXSSJ-DNQXCXABSA-N 384.500 5.667 50 40 GKGB CCCCCCCCCCCCCC[C@H](CBr)[n+]1ccccc1 100924672 QTBJBSAWRHSIEG-OAQYLSRUSA-N 383.438 7.001 50 40 GKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 408539653 XWCFIIGZFUUUHD-PYCFMQQDSA-N 390.527 6.280 50 40 GKGB CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 408775110 OCTZJJWAKXPDTB-HMAPJEAMSA-N 393.490 5.274 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCC2)c1C 408782257 GMAALBCZBSVFKK-PDGQHHTCSA-N 381.907 5.728 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 409250822 YHHNFWVLMFXMIE-COQDENBGSA-N 382.891 5.302 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)OCO2 409366825 YXCDDDDHQHWTMY-GRSHGNNSSA-N 389.838 5.712 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/c3ccccc3C(F)(F)F)n2)c1 4263927 FPWAEWXPQXEVTE-OQLLNIDSSA-N 386.398 5.902 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1Cl 5215030 GZZSQVDJJWCSKG-ACCUITESSA-N 393.786 5.054 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3C)n2)cc1 13765897 OUBDDWXTDWYPAU-AQTBWJFISA-N 375.497 5.802 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2ccccc2c1 13809851 AOXKZAHSBZMKAU-HAHDFKILSA-N 391.474 5.793 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccc(Cl)c(Cl)c1 59197650 CXNSTDNTXJTKBS-UFFVCSGVSA-N 392.311 5.226 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 59335468 UYIAABITJHMZRX-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1Cl 408580311 OEZCQFUNTGHEOY-GZTJUZNOSA-N 398.264 6.776 50 40 GKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c3ccccc23)cc1 408771110 FIRRXYIOEWUGSV-MNDPQUGUSA-N 399.494 5.240 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C\[C@@H](C)c2ccccc2)nc1-c1ccccc1 4937728 GRGHKBFVLPFRHW-BAACNHRGSA-N 387.508 5.869 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 5010235 KTLXSDPMSKCIRC-UVTDQMKNSA-N 397.261 6.108 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1c1cccc2ccccc12 5491547 NDSYFMJFXPHYMY-LJQANCHMSA-N 398.853 5.101 50 40 GKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(Cl)cc1Cl 5667713 NXVDXPQRCDQDOH-ZMOGYAJESA-N 399.277 5.190 50 40 GKGB CCCCCCCCCCCCCCCCOc1ccc(N=C=S)cc1 95762622 QZYKAALLMYWYRA-UHFFFAOYSA-N 375.622 8.281 50 40 GKGB CC(C)(C)OC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408817575 WPCAKEYZVKDLJJ-FSJBWODESA-N 383.879 5.202 50 40 GKGB CC(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(C(C)C)c1O 408855311 CBVOKQMFRPSYSK-CXUHLZMHSA-N 382.891 5.838 50 40 GKGB CCOc1cc(C)c(/C=N/NC(=O)Cc2cccc3ccccc23)cc1C(C)C 408856458 IUVYXCLQDVJFCU-WGOQTCKBSA-N 388.511 5.363 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccccc1F 409022815 GCTRXDNFTFTEGD-SRZZPIQSSA-N 390.892 5.456 50 40 GKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 409075655 SRRDEOCRBBMELT-NBVRZTHBSA-N 395.867 5.172 50 40 GKGB CCCC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1 20132899 FPDMYXJTSFDEQS-QMMMGPOBSA-N 396.137 5.495 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC 408579042 CLOPTIMXLCPSSV-MHWRWJLKSA-N 376.283 6.245 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1F)c1ccc(Cl)cc1Cl 408579396 GWJVPLDTVUSJFN-GZTJUZNOSA-N 398.264 6.776 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 408746057 QMBPZKCRHCVIED-SSZFMOIBSA-N 376.843 5.438 50 40 GKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(F)cc2)cc(C(C)(C)C)c1O 408755132 PTKOBAGXCFBHKP-CVKSISIWSA-N 398.522 5.209 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1 408961741 DRLYMPFRACQMPC-VULFUBBASA-N 398.384 5.048 50 40 GKGB O=C(N/N=C\c1ccccc1Cl)c1sc2cc(Cl)ccc2c1Cl 408963953 KGPHUXFHHPLSPS-ZBKNUEDVSA-N 383.687 5.625 50 40 GKGB CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)c1 409349917 VGBBVYUFFHDMHL-AQTBWJFISA-N 388.379 5.096 50 40 GKGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1cccc(F)c1 409389880 CTGGUXVOJPYFBO-WCIBSUBMSA-N 397.041 5.120 50 40 GKGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CCn1c2ccccc2c2ccccc21 2369367 NKWVBPWMIZTCAE-WGOQTCKBSA-N 394.478 5.125 50 40 GKGB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CCl 2679564 VTZGHPYDNRYEFU-UHFFFAOYSA-N 399.899 5.436 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1C 4135198 GSFYADSMWSQEQT-XNTDXEJSSA-N 394.431 5.451 50 40 GKGB CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1cccc(Br)c1 5384649 WKBGERVLNFWOGR-DNECFQKRSA-N 385.305 5.392 50 40 GKGB CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 59117240 ARZWLMANMUVHTI-NTEUORMPSA-N 375.255 5.326 50 40 GKGB Fc1ccccc1-c1nc2cc(C(Br)Br)ccc2o1 216827952 YZXLZBCGMWKXCZ-UHFFFAOYSA-N 385.030 5.422 50 40 GKGB Cc1cccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 408772797 NCBIYVHJQDZNRX-ZVHZXABRSA-N 394.927 5.705 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc12 408804638 ZDVZZKWTLUFOFI-QTCOBDOFSA-N 398.506 5.659 50 40 GKGB O=C(N/N=C\c1ccccc1O)c1sc2cc(Cl)cc(Cl)c2c1Cl 408969892 WMSLRWNPPHYKOG-SCDVKCJHSA-N 399.686 5.331 50 40 GKGB CCCCCCc1ccc(C(=O)[C@H](Br)CBr)cc1 575357728 ZDMFEJPAEQOLFR-CQSZACIVSA-N 376.132 5.151 50 40 GKGB O=C(CBr)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 1671894 MXQATDVQLKQPSQ-UHFFFAOYSA-N 395.083 5.786 50 40 GKGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 4460821 ITEYEXDWGYGBDD-HZHRSRAPSA-N 393.284 5.270 50 40 GKGB Cc1ccc(OCC(=O)NN=C2CCC(c3ccccc3)CC2)c(C(C)C)c1 4926408 CDZSDGBEVFTCLP-UHFFFAOYSA-N 378.516 5.327 50 40 GKGB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C[C@@H](Br)C21OCCO1 12661707 QAHFVTOKOXJWRU-JLPZLSSXSA-N 395.381 5.312 50 40 GKGB biogenic COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3)n2)cc1OC 13775503 ICCPIPQMKRTDKP-VBKFSLOCSA-N 377.469 5.112 50 40 GKGB CC1=C(C#N)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 19832226 LDBIPDJQLFOWHU-QHCPKHFHSA-N 384.479 5.606 50 40 GKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 96398823 UGLGHIFGXUTUNM-LCYFTJDESA-N 394.780 5.303 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 208248846 IWWYGFVDNRMKHK-MMTYYTLLSA-N 383.923 5.134 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCc1ccccc1 208368750 MCQMNAGIZNKRIV-GDNBJRDFSA-N 397.261 5.477 50 40 GKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408541149 YAWROMKKAISCII-QJOMJCCJSA-N 397.475 5.098 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408789808 LVGDUQSPOGCQQO-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c2C)c1C 408806514 JMFITAOCRRKKAZ-VFURWAKUSA-N 389.543 5.313 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(Cl)c1 3658157 GPKSMEDVCGMZAO-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1O 4175003 PUDBIPGIEDHUGY-LICLKQGHSA-N 376.481 5.595 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 9169710 VVHOAMGONAKVDI-GZTJUZNOSA-N 393.899 5.795 50 40 GKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Cl)c(Cl)c1 30840609 AVOJGBKLPHXYFK-CFRMEGHHSA-N 399.277 5.190 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3cccc(F)c3)[nH]c2c1 50704913 GJKDEKVHRDASFL-UYRXBGFRSA-N 383.426 5.654 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(Cl)c1 59435303 ZFWLOLPIHMBKJL-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 59921274 NCMIANXAWOFTRY-VULFUBBASA-N 398.384 5.048 50 40 GKGB N#C/C(=C\Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCCF)cc1 100418643 NMSKSWORVNRANO-FYWRMAATSA-N 380.341 5.300 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 209401917 MCQIFIZLNZFLAO-HYARGMPZSA-N 387.454 6.176 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc(F)cc3)cc21 223502617 RFKGXBWIJOOBTO-VULFUBBASA-N 393.506 5.308 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c2ccccc12 408793102 DAHBTHDRTYVXNW-DTQAZKPQSA-N 376.843 5.438 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(C)c3)c3ccccc23)cc1 409001176 VDAXWVIDESZKPT-CVKSISIWSA-N 381.479 5.070 50 40 GKGB C[C@H](C(=O)c1ccc(Br)cc1)[C@@H](Br)c1ccccc1 1724914 PSXAPZIEBSHLHT-XHDPSFHLSA-N 382.095 5.404 50 40 GKGB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSC#N 2289761 PXTDYLSWTLYZCX-UHFFFAOYSA-N 394.568 5.011 50 40 GKGB Cc1cccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 4174877 GILOTCSWJDYWEM-HAHDFKILSA-N 378.500 6.850 50 40 GKGB CCc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(C)cc1 4957122 ZSROYNQMHZNCHC-SFQUDFHCSA-N 375.453 5.653 50 40 GKGB O=C(Cc1cccs1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5716392 YJCXJVQEJQADGC-KEBDBYFISA-N 379.268 5.008 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(=O)O)cc1 6473782 DAZBCOQWBFXVSG-MOSHPQCFSA-N 389.838 5.681 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 9973149 LVQYMLRLHOGQHL-DISPHTKASA-N 398.890 5.380 50 40 GKGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccccc1OCc1ccc(F)cc1 25391491 PZNVNMYHUHXIBQ-KNFASKAOSA-N 388.442 5.224 50 40 GKGB Cc1cccc2c(/C=C(/C#N)C(=O)NC3CCCCC3)c(-c3ccccc3)[nH]c12 59513124 QKJCXQXGJYBCCD-CYVLTUHYSA-N 383.495 5.499 50 40 GKGB O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(CSc2ccc(Cl)cc2)cc1 103451777 QGTBQSHZWQMDNC-OXTUAAPVSA-N 396.943 5.560 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)NC1CCCCC1)[C@@H](C)CC(C)(C)N2C 208234811 NFXJDQZNBBDARO-LSPINASFSA-N 379.548 5.073 50 40 GKGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c1 408588321 JAHQWAVDHBCIHQ-WGOQTCKBSA-N 397.478 5.020 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)c1C 408968520 WRQPOGAFNYSVKQ-HAHDFKILSA-N 397.522 5.819 50 40 GKGB O=P1([C@@H](c2ccccc2)[C@H](O)c2ccccc2)c2ccccc2-c2ccccc21 2127186 TVRDSJXTQUVKCV-FTJBHMTQSA-N 396.426 5.456 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1)c1nc(-c2ccccc2)cs1 4175145 RXFLSTRBUIDZLI-JCMHNJIXSA-N 394.499 6.453 50 40 GKGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)C1 4656955 WKGLYWHHMYANEP-CVIUTVQRSA-N 395.330 5.557 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 59225078 HBYVPHDXWJYXFJ-CPNJWEJPSA-N 378.472 5.037 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)c1 408810234 PEIJDBNXTXIFKS-MHWRWJLKSA-N 399.288 5.090 50 40 GKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 2279747 VPYWOQVXMQYRGS-JWGURIENSA-N 393.515 6.762 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 2774394 TUFGJGKSXFFTTE-LDADJPATSA-N 399.406 5.241 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(F)c3)c3ccccc3n2)cc1 2843631 QNRCNICLFXMDJA-CVKSISIWSA-N 383.426 5.113 50 40 GKGB Cc1ccc(O[P@](=O)(c2ccccc2)c2nc3ccccc3s2)cc1C 3172243 TXSRWTWZPZTBKT-RUZDIDTESA-N 379.421 5.221 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1 4263942 UDTJIEHRWDAQKV-SFQUDFHCSA-N 379.916 6.311 50 40 GKGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc2c(ccc3ccccc32)o1 6864908 QZEPDHJHYMECEE-FOKLQQMPSA-N 383.234 5.657 50 40 GKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)o1 33571694 GRHGLMJENFWZJF-RVDMUPIBSA-N 375.340 5.136 50 40 GKGB Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)c1 223167472 DDEFWCTXRWAODH-UCQKPKSFSA-N 397.522 5.874 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1cccc2ccccc12 408532896 PRFWMRHMUNRWAK-XYGWBWBKSA-N 394.902 5.365 50 40 GKGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccc2ccccc2c1 408542282 IDZUCTHGPUGFDI-RGVLZGJSSA-N 388.492 5.011 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)c1C 408867737 MSSBVWNPMQDCRU-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2F)cc1Cl 409058049 QVEPLYILHGWDCT-DHRITJCHSA-N 396.849 5.130 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCC 409072059 AORCAPZNVRMRNN-XSFVSMFZSA-N 390.483 5.067 50 40 GKGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1 4175188 BQEYWCCWJPCZEL-XPNFCJTCSA-N 377.400 5.478 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 4808273 VOCBYQBUFPKDOB-FOWTUZBSSA-N 385.448 5.202 50 40 GKGB O=C(c1ccccc1)N(Nc1ccccc1)c1ccc(/N=N/c2ccccc2)cc1 13403456 OYXUJHKHIKVGJS-CYYJNZCTSA-N 392.462 6.776 50 40 GKGB COc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)C 59157504 GPSYECNTGWPVBQ-LSHDLFTRSA-N 379.287 5.198 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@@H]2CC[C@]1(C)C2(C)C 100741212 LSQKTLIPGPORGO-NTUVXCKYSA-N 390.564 5.610 50 40 GKGB CCO[Si](CCP(C1CCCCC1)C1CCCCC1)(OCC)OCC 199691937 AZDIXMBBMHDSRE-UHFFFAOYSA-N 388.605 6.182 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1 260562957 DHEOSDMDSMNYMJ-UAHQCSBISA-N 391.559 5.568 50 40 GKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(N)=S 408544706 WXRDMJFPLVJNBR-LFIBNONCSA-N 378.884 5.265 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccc1 408735295 PWRODXTYCMZGGV-LDADJPATSA-N 375.859 5.293 50 40 GKGB CCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408808371 FVRMCFVWBUEQLI-OQLLNIDSSA-N 398.293 5.039 50 40 GKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)c1ccccc1 409057754 QRHUSDIGMNKTPS-VCHYOVAHSA-N 398.264 6.776 50 40 GKGB CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 2669646 QOGFYQMXDNOYNK-OBGWFSINSA-N 385.891 6.411 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1 3167893 SRRFYTZLOOWVEA-IVLOEBTASA-N 395.442 5.818 50 40 GKGB CC(C)(C)OOC(C)(C)C#C[C@H](O)/C=C(/Cl)C12CC3CC(CC(C3)C1)C2 106840064 NFERKIKIABXLMA-ZSWISBBPSA-N 380.956 5.215 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)c3cc4ccccc4o3)cc21 208463367 NZOPKCOWYLDTDW-QFEZKATASA-N 387.483 5.137 50 40 GKGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)cc1Cl 252502262 UOXMHZJJWVWXOI-RVDMUPIBSA-N 378.815 5.154 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)cc1Cl 408585754 HZDDYELLYOIRRI-NVNXTCNLSA-N 388.681 7.279 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c2C)cc1C 408809270 GRQHZJXUHVWWLM-WYXNPHKISA-N 389.543 5.313 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc([N+](=O)[O-])cc1 409212635 RQDOLGRPHISSNU-UKTHLTGXSA-N 385.206 6.226 50 40 GKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2cccc(F)c2)[C@@H]1c1cccc(F)c1 989238 QPGNCYVEKXRXQZ-DCINASHKSA-N 376.406 5.294 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc([N+](=O)[O-])c1 1071358 VVRMGNGKGAEAPD-RVDMUPIBSA-N 384.313 5.938 50 40 GKGB COc1cccc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c1 4174904 SYAJBJOILAGTLU-NVNXTCNLSA-N 397.297 5.645 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1 4501976 TVMHCBHXKYQWQT-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1ccc(Cl)cc1 6964627 FRFKJUMIMYGBCJ-YDZHTSKRSA-N 398.915 5.134 50 40 GKGB COc1ccc(-n2cccc2/C=C(/C#N)c2ccc(Br)cc2)cc1 15228810 NNNIALHAOQCWPI-SSZFMOIBSA-N 379.257 5.313 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336624 YEWNTGWUPMXRHN-AQTBWJFISA-N 393.273 6.206 50 40 GKGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 79193131 VTEPEJKQYXEPCH-PBHICJAKSA-N 391.562 5.067 50 40 GKGB biogenic CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Cl)c1O 408529334 JEESCGTWRIHGHR-QPEQYQDCSA-N 378.653 5.271 50 40 GKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 408567239 KYSQLXFBSRDKGN-MTDXEUNCSA-N 394.518 5.983 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408580375 OZPGHOOGMLYORL-RGVLZGJSSA-N 394.301 6.945 50 40 GKGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 409364078 MZHLSOIVMIAGCG-ZMOGYAJESA-N 380.875 5.218 50 40 GKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1 3253594 BKTOFIFJTQQWNJ-OQKWZONESA-N 387.527 5.069 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/N=N/c1cccc2ccccc12 4773894 VPZPGRCUIGMTRB-OCOZRVBESA-N 386.326 6.848 50 40 GKGB C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(C(C)(C)C)cc1 5504628 OGVCXERCGJTCSE-OEAKJJBVSA-N 397.569 5.226 50 40 GKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 6209483 XODKNWGEZYUAJS-LFIBNONCSA-N 399.288 5.092 50 40 GKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)c2ccccc2F)cc1 6426706 IQMREBRCEYKOHZ-JWGURIENSA-N 393.461 6.931 50 40 GKGB N#C/C(=C/Nc1ccccc1)c1nc(-c2cccc(Br)c2)cs1 17186369 PYOBRCXEGKIWGN-KAMYIIQDSA-N 382.286 5.549 50 40 GKGB N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1 100840004 WSPXDGCQUCCGAD-LGMDPLHJSA-N 387.895 6.593 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1nc2ccc(F)cc2[nH]1 408567441 DWCWCUXKXOTRRY-PDGQHHTCSA-N 392.437 5.769 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c2C)c1 408757585 AKAQYGMJIFSRNE-BKUYFWCQSA-N 380.495 5.960 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(C)C 408864806 ZQKQGJAIFBQAOZ-LICLKQGHSA-N 398.890 5.319 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C 408960873 PCPLRFSPELRIPZ-IWIPYMOSSA-N 397.522 5.188 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(C)c1 409210660 GCEGRZCRFZYRTD-MLPAPPSSSA-N 390.226 5.064 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)o1 409245981 BZLSOXIRNHSMHF-UWCCDQBKSA-N 390.870 5.693 50 40 GKGB O=C(CCCCCBr)c1cccc(OCc2cccc(F)c2)c1 575357691 SSDMSWIKNSCFON-UHFFFAOYSA-N 379.269 5.543 50 40 GKGB O=P1([C@@H](c2ccccc2)[C@@H](O)c2ccccc2)c2ccccc2-c2ccccc21 2127184 TVRDSJXTQUVKCV-UIOOFZCWSA-N 396.426 5.456 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1 4661973 SFYWYLSTAIUVSL-NTEUORMPSA-N 382.872 5.545 50 40 GKGB C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1C)c1ccc(C(C)C)cc1 5003565 SXPWDARDPTWYPH-BWAHOGKJSA-N 380.532 5.335 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 6477752 IQDYLLFQDDVESY-SXGWCWSVSA-N 377.425 5.100 50 40 GKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 6812597 GRCYRJOWIFIGBP-JCMHNJIXSA-N 382.463 5.428 50 40 GKGB COc1cc(OC)c(/C=C(\C#N)Sc2nc3ccccc3s2)cc1Cl 17079409 IOBPUGFNKVMDNX-KPKJPENVSA-N 388.901 5.624 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c1 28217375 JUFNTRXVDMAUQG-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CC(C)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 33351030 JLPQWPFGPMGNEP-PKAZHMFMSA-N 393.490 5.789 50 40 GKGB CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl 33406919 RCSZZZGCELXSKQ-ZROIWOOFSA-N 375.255 5.326 50 40 GKGB O=C(CCCC[C@H]1CCSS1)NCc1ccc(CN2CCCCC2)cc1 48277195 WACVZBMIRSQTIG-FQEVSTJZSA-N 392.634 5.003 50 40 GKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC 209488626 YTJDPQHHUVXWKT-WOJGMQOQSA-N 396.284 5.232 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)c1 408765484 PZRHZTIUYCSXKM-WGOQTCKBSA-N 381.479 5.320 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1Cl 408991163 ZIOZQNMLBUUPKR-PDGQHHTCSA-N 388.854 5.986 50 40 GKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nc2ccccc2[nH]1 4726055 YTFNGZLVAIHEOQ-FMIVXFBMSA-N 390.786 5.449 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 15009000 KEQXHZMEJBQVPU-QGOAFFKASA-N 396.406 5.114 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 16411791 DSGPWLPEYJHBEU-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 59336426 YOSAJQIPPKRKQX-XFFZJAGNSA-N 381.646 5.201 50 40 GKGB CCOc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(C)C 408856724 JXCXLKKCYRAOBE-FOKLQQMPSA-N 393.314 5.588 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1cc(C)cc(C)c1 408867184 JYFQMGAQBBEJLJ-KOEQRZSOSA-N 394.518 6.002 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1F 6884317 MSWSAIZUMAPAQJ-BOPFTXTBSA-N 398.264 6.776 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(F)(F)F)c3)n2)cc1 100839916 RGROWHDXEGJNOQ-RVDMUPIBSA-N 385.414 6.114 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408744859 NRAKEFDRPFBNKU-RCCKNPSSSA-N 399.494 5.347 50 40 GKGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 4714638 BDJAOZYBJLPGFY-PMFZIYJTSA-N 398.531 5.765 50 40 GKGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 7164238 DDKIYIKELMUFKU-YRNVUSSQSA-N 385.172 5.558 50 40 GKGB O/C(=C\[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 104173068 JMDYHGOEXKNXDC-QLYXXIJNSA-N 382.443 5.269 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 106269779 OABVOERAKHNDFR-HJRSRAPESA-N 383.319 5.081 50 40 GKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 107854282 AIYOYMNOQUBOPI-UNOMPAQXSA-N 397.409 5.801 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc12 408803317 NOGZHPCRFBXHRZ-RSTZELCTSA-N 390.527 5.621 50 40 GKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2)cc1 408853599 QEUUIDVYXRBMGV-ITYLOYPMSA-N 379.463 5.217 50 40 GKGB Cc1c(C(=O)[C@@H](Br)CBr)sc2ccc(Cl)cc12 575362248 PTUALPDRFBNWMP-VIFPVBQESA-N 396.531 5.204 50 40 GKGB CCOc1ccccc1N/C=C(/C#N)c1nc(-c2ccc(C)c(C)c2)cs1 2278617 CHAZDUNUIBVCAU-AQTBWJFISA-N 375.497 5.802 50 40 GKGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1OCc1ccccc1 3088054 NQFPHBRBMJFEKI-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2s1 4929370 LHFPCVGKWGGGDV-JLHYYAGUSA-N 394.862 5.647 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(-c2cccs2)n[nH]1 5072512 GRDIOGDKROIAPQ-ZVHZXABRSA-N 396.475 5.209 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc([N+](=O)[O-])c1 6225099 GNHCNMMTVQDNOV-UKTHLTGXSA-N 385.206 6.226 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2)cc1 59116807 VHDPEJOMJWXHKJ-MOSHPQCFSA-N 386.426 5.259 50 40 GKGB N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2ccc3c(c2)OCO3)cs1 100419651 CUOYHHRUQJNPDO-ATVHPVEESA-N 397.459 5.669 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(F)c(Cl)c1 408543135 PJBZALYOXCWJHD-ZDLGFXPLSA-N 394.833 5.649 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2)cc1 409249265 SVOAXWHAWAREOZ-QNGOZBTKSA-N 398.531 6.309 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)cc1 4474870 FGVNFKUFHROSHH-YVNNLAQVSA-N 377.202 5.156 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(F)cc1 36174350 LWLDBAVVBCCRMA-LSHDLFTRSA-N 377.202 5.156 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Br)cc1 408534204 VHYKWKXLCKSYKS-QGOAFFKASA-N 392.296 6.454 50 40 GKGB N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1F 408867141 IZLWKMCQRRJVLR-XMHGGMMESA-N 390.845 5.616 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1 22608564 NKERHELVAUKIFL-LFYBBSHMSA-N 390.386 5.396 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 408579345 GAJCXYVGQMEWML-UDWIEESQSA-N 377.846 6.431 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(Cl)c1 408599095 OQVXABKEMJXVMH-LCYFTJDESA-N 385.206 6.226 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1c2ccccc2cc2ccccc12 408742325 QPONGDRRZGAHOS-MTJSOVHGSA-N 398.469 6.002 50 40 GKGB N#C[C@H](C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 409205236 APIDTGBMULXTMG-KZKMUKRCSA-N 398.249 5.011 50 40 GKGB N#C/C(=C\C=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)cs1 4175183 SEXYXHCHHGSNJI-CRAVZTJYSA-N 393.855 5.992 50 40 GKGB O[C@H](CBr)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 5593728 IQNPRIPMWCJUPK-MRXNPFEDSA-N 397.099 5.637 50 40 GKGB O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2ccccc2o1 15227005 MMTIIYZSQUCODM-KSEXSDGBSA-N 399.233 5.764 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2[C@@H](C)CC1(C)C 223531683 YNRHBZAVCNBQCQ-YNGKYYQNSA-N 387.527 5.653 50 40 GKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)c(Cl)c1 408742013 UHDLUXYCYTZFKS-FSJBWODESA-N 386.282 5.165 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCCC2)c1C 408960224 JVTVASRHSYTVCB-JCMHNJIXSA-N 389.543 5.321 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 4135199 HOHPZKSKIDDJKI-RVDMUPIBSA-N 394.431 5.396 50 40 GKGB O=C(NN=C1CCCCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1 5783604 KIPYWICPQGOWRG-UHFFFAOYSA-N 398.506 5.983 50 40 GKGB CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)CCl 72400431 QVDKLQCGMGDAPK-FQEVSTJZSA-N 377.009 6.391 50 40 GKGB in-vitro CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)CCl)CC[C@H]4[C@@H]3CC[C@@H]2C1 118925966 BJNBUJBEHXHJHF-OLCLNGENSA-N 394.983 5.385 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 408544344 SLUXBNDSSAZJLA-HMAPJEAMSA-N 399.446 5.427 50 40 GKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)o1 408568768 KVGARNUYOFUJCM-ZROIWOOFSA-N 387.370 5.033 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408583858 XVUXDZDINDRAHF-XSFVSMFZSA-N 375.855 5.992 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Cn1cnc2ccccc21 408691810 RCMBFZBEIMOUCF-MOSHPQCFSA-N 399.881 5.876 50 40 GKGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 408743179 FCNDDGNACYNBCD-QINSGFPZSA-N 383.289 5.292 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OC(C)C 408812613 WZQODRIEGAYUPG-MHWRWJLKSA-N 384.863 5.072 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408819469 XEYZAROXAJYYAF-FOWTUZBSSA-N 384.863 5.073 50 40 GKGB ClCCN(CCCl)c1ccc(/C=N/CCc2c[nH]c3ccccc23)cc1 1692421 IDWOYBDNESEHQH-BUVRLJJBSA-N 388.342 5.114 50 40 GKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(C2CC2)nc2ccccc12 2319446 CBYOLOMLXIQURB-FOKLQQMPSA-N 384.266 5.183 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 2670438 BRVVDUMNIOALOL-FOWTUZBSSA-N 384.863 5.073 50 40 GKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2)c1 4502029 GKOKTBLRJGABMD-HAHDFKILSA-N 396.490 5.737 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccc1 4814072 MXOLTYMPHGECRI-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCC 6024605 LDFUPMIVKUMDRP-DHDCSXOGSA-N 381.863 5.386 50 40 GKGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccccc1F 6258149 SAPSPZMWLWVMIP-AQTBWJFISA-N 397.409 5.801 50 40 GKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2cccc(C#N)c2)o1 17076950 SYJKDMJYLGTWDY-MOSHPQCFSA-N 376.419 5.377 50 40 GKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl 59117359 WCORTVMTERZFDE-RVDMUPIBSA-N 389.282 5.718 50 40 GKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/C=C/c2ccccc2)c(Cl)c1 408740121 IKUJYHCGITXBRE-XWJCGCQVSA-N 377.875 5.177 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 2257014 GHCNPMRUHRMFBV-NTCAYCPXSA-N 378.815 5.154 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccnc2)cc1)C(=O)c1c[nH]c2cc(F)ccc12 48325134 RTGFIHIIVPZZOJ-ZDLGFXPLSA-N 397.409 5.071 50 40 GKGB COc1ccc(/N=C/c2ccccc2P(c2ccccc2)c2ccccc2)cc1 100409091 IBFUUZLLVDAISF-NHFJDJAPSA-N 395.442 5.204 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408727115 XFQNWWWNIGXIND-QQJDAETRSA-N 391.298 5.530 50 40 GKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)c1 408814903 GSVKAANUZBYZAQ-LGMDPLHJSA-N 375.859 5.293 50 40 GKGB CC(C)c1cc(/C=C(\C#N)c2cccc(Br)c2)cc(C(C)C)c1O 408853559 PMYGAEJZVMHNGV-CAOOACKPSA-N 384.317 6.466 50 40 GKGB CC/C(=C(\CC)c1ccc(N(CCCl)CCCl)cc1)c1ccccc1 1598126 HRJSUUVMQRAFOI-DQRAZIAOSA-N 376.371 6.701 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)c(C)c1 2318054 LNGBCAPLWJFZID-SFQUDFHCSA-N 399.475 5.510 50 40 GKGB O=C(CCSc1ccc(F)cc1)NNc1c(Cl)cc(Cl)cc1Cl 3428407 LFEFWZKUKVVIEN-UHFFFAOYSA-N 393.698 5.411 50 40 GKGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2cccc(C#N)c2)c1C 33668793 ULADYWOZDAFLEM-HMAPJEAMSA-N 395.462 5.207 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 408876860 RIKOOTMUDGEBKV-GZTJUZNOSA-N 396.874 5.021 50 40 GKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccccc1 409047098 MZLLSBOINHIMED-VCHYOVAHSA-N 398.264 6.776 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccccc3)c2C)cc1 853172 CZXIUEXFANVQLE-LFVJCYFKSA-N 391.540 5.035 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1 1706661 UIUMIVBTRQQBHO-DEDYPNTBSA-N 375.855 5.992 50 40 GKGB Cl[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@@H](Cl)c1ccccc1 1843043 JLEICQIVHNIUFR-GOTSBHOMSA-N 384.350 6.276 50 40 GKGB N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 4903487 JGSVYPQYYKAXJW-DHDCSXOGSA-N 390.851 5.634 50 40 GKGB CCC(C)(C)c1cc2c(O)c(c1)[C@@]1(CC(C)(C)c3ccc(O)c1c3)SS2 5964820 OQIHCCMVKXANQT-QFIPXVFZSA-N 386.582 6.464 50 40 GKGB CC(=O)NC(C#N)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 27020694 JLKNBQRYGFKQBV-UHFFFAOYSA-N 395.336 5.707 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)c1C 59535097 FNMYMRMAEMFCTR-KGENOOAVSA-N 375.516 5.067 50 40 GKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C 408599269 RJKAJFLSGCBOHK-ZDLGFXPLSA-N 397.305 6.474 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCC(=O)Nc1ccccc1 409059191 VETQXMBOCWWHIC-RCCKNPSSSA-N 398.462 5.167 50 40 GKGB COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3[C@@H]2Cl)cc1OC 1613546 USJDNYYDOAJQEU-SFHVURJKSA-N 381.255 5.122 50 40 GKGB Cc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2cccs2)cc1 3119490 LUGALHNKMNXIMA-STQMWFEESA-N 388.124 5.139 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 40006607 WWTATQFRBJCNNP-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)cc1 59117650 TZHALSFHFAENFT-NDENLUEZSA-N 386.426 5.259 50 40 GKGB CC1(C)C=C([C@H](Br)c2cccc(Cl)c2)C(=O)c2ccccc21 1754604 BXBHEAJZGKXYOA-QGZVFWFLSA-N 375.693 5.877 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2cc3ccccc3o2)cs1 5603031 ADEWAENEVLJVEO-VGOFMYFVSA-N 397.286 6.927 50 40 GKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)C(C)(C)C)cc1 33719176 TZKFXPJOTXATPJ-JXAWBTAJSA-N 385.467 5.070 50 40 GKGB C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(OC(F)F)c1 58953799 FELWSKIRXQJQFB-WFASDCNBSA-N 375.506 5.179 50 40 GKGB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccc(N=C=S)cc2s1 1107843 QOQPZHXBIUGNEW-UHFFFAOYSA-N 389.889 5.010 50 40 GKGB CC(=O)Nc1cc(C)c(SSc2cc(C)c(NC(C)=O)cc2C)cc1C 3095583 BTRREJBZISSLJI-UHFFFAOYSA-N 388.558 5.636 50 40 GKGB Cc1ccc(SC[C@@H](Cl)CSc2nc(O)c3ccccc3n2)cc1 27586401 LOKOHOCDGIFTMH-CYBMUJFWSA-N 376.934 5.136 50 40 GKGB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSC#N 2281753 YEPPEZCFSNTELI-NRFANRHFSA-N 384.932 5.376 50 40 GKGB COc1cccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OC 4175017 QJLBHPLSJDONBH-GDNBJRDFSA-N 382.872 5.545 50 40 GKGB CCCC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1 20132896 FPDMYXJTSFDEQS-MRVPVSSYSA-N 396.137 5.495 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 59335077 ZEIFXKFVKFBIAC-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 408599064 OFUMINBRQMHEKM-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2C)c1 408757106 ZVCBGFYSKPCCTJ-UYRXBGFRSA-N 389.886 5.602 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408788837 MIOVYBQRXSZHRD-WUXMJOGZSA-N 395.673 5.510 50 40 GKGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 408889911 KVBQCZYWCZGDMU-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C 408981772 BRHREASBUJVGAN-UYRXBGFRSA-N 395.934 6.118 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(C#N)cc1 409368671 GZYVWLCPYYXZPE-MTJSOVHGSA-N 381.391 5.110 50 40 GKGB c1ccc(C2(c3ccccc3)SSC3(S2)C2CC4CC(C2)CC3C4)cc1 1614364 PHZRPHQQYSNIMJ-UHFFFAOYSA-N 396.646 7.168 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Cl)n2)cc1 4645089 WZORDENDEVEIJT-UYRXBGFRSA-N 378.928 6.870 50 40 GKGB N#CC(C#N)=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 4739421 BHEWFDHIWPPCEN-UHFFFAOYSA-N 393.708 5.490 50 40 GKGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 20764075 FSSMSMWRLLGUCP-YDZHTSKRSA-N 382.847 5.071 50 40 GKGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H]2Br 100848735 PLHCLBIFHOAOBA-DAXOMENPSA-N 391.136 5.522 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(OC(C)C)c1 408786098 LYTMHEGDUCBXDT-QGOAFFKASA-N 386.451 5.181 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408803243 MVSNRGXUGJJEKK-HMMYKYKNSA-N 380.447 5.014 50 40 GKGB O=C(CSC1c2ccccc2-c2ccccc21)NN=C1CCCCCCC1 408878459 AWGVYHREHQAMTG-UHFFFAOYSA-N 378.541 5.706 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 408880323 HLAMEYHMUVLTNQ-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc2c1 650432 DPUFXAGPVINAHY-OAQYLSRUSA-N 397.865 5.568 50 40 GKGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Oc3ccccc3)c2)[C@H]2CCCC=C12 1065444 GWWULIWUWIAJLT-JTHBVZDNSA-N 392.462 5.073 50 40 GKGB OCCCCCCCCCCCCCCCCCCCCBr 4202490 ZGNWCADSJRJNCQ-UHFFFAOYSA-N 377.451 7.395 50 40 GKGB COc1cccc(/C(C)=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 5033119 YCCPPGURQMQYCL-PKAZHMFMSA-N 395.462 5.064 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OC(C)C 7164458 AJRGYODGBNQBRD-RQZCQDPDSA-N 398.890 5.298 50 40 GKGB ClCCN(Cc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1Cl 31912140 HPAHEPQYKLIRQI-UHFFFAOYSA-N 397.560 6.541 50 40 GKGB CCN1c2cc(C)c(/C=N\NC(=O)CCc3ccccc3)cc2C(C)=CC1(C)C 208524351 CBWKAZKRFGFKDU-ONUIUJJFSA-N 389.543 5.100 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)Cc1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C 223592242 IQIRJULGMMHBGC-JHKMYFMNSA-N 391.559 5.188 50 40 GKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccc(O)cc1 408866479 GWPDZOMVLTYUBZ-XMHGGMMESA-N 388.854 5.182 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)cc1 408935056 GEMFNKCDZLINAP-UCQKPKSFSA-N 396.490 5.737 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 7164378 XKMVBSGEUYQKGI-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 408579601 ILLWRCZUHFFKMP-UDWIEESQSA-N 377.846 6.431 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 408792789 CFXHLXPKRCFKHR-VZUCSPMQSA-N 381.646 5.201 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1cccc(Br)c1 409108783 ZCDMHQZDSDUSLN-VBKFSLOCSA-N 393.240 5.002 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 409221396 PSRVJAJQPRBQQQ-JXAWBTAJSA-N 388.467 5.831 50 40 GKGB Cc1cccc2cc3cc(C(=O)N/N=C/c4ccc(Cl)cc4)sc3nc12 3262737 WPMQNSIERLVKJP-SSDVNMTOSA-N 379.872 5.175 50 40 GKGB CCCCCCc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 12681220 ZCODCBQWKBJNHY-XIEYBQDHSA-N 388.515 5.354 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(C)cc2)c1 59266312 KOOWTQBOXOZROG-HAHDFKILSA-N 396.490 5.682 50 40 GKGB Cc1cccc(COc2ccc(/C=C/C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 103705305 AJAUETHFGXNXJK-VGOFMYFVSA-N 389.407 5.101 50 40 GKGB N#C/C(=C\c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(Cl)cc1 408580751 ROGOULKGRKJEBT-YBFXNURJSA-N 380.274 6.637 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)cc1 408877391 VNVHBTLLEJAOHZ-CJLVFECKSA-N 384.454 5.525 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 409004640 AYINHYGRAKBBBC-PGMHBOJBSA-N 398.506 6.181 50 40 GKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(Cl)cc1 4502934 HFFSDZNMXHMAQD-ZMOGYAJESA-N 392.911 5.293 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(F)cc1 4925617 BGDXIBLUYDOPOC-OGLMXYFKSA-N 397.453 5.503 50 40 GKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2)cc1 4966333 NTZCADRZBOTKLW-XMHGGMMESA-N 396.471 5.888 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)s2)cc1 36636021 FJYOXJNAQYRKRC-NTCAYCPXSA-N 394.496 5.893 50 40 GKGB CCCCc1ccc(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 100860048 VTYXKTYUSJGYFP-CYVLTUHYSA-N 389.524 6.138 50 40 GKGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408798880 XBTIAYKBXATJOC-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)cc1C 409063448 KYGGJDSNUBJZHV-HYARGMPZSA-N 383.495 5.565 50 40 GKGB O=C(CSCc1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1 4578314 OGWGXAPAHSOXTR-UHFFFAOYSA-N 395.012 6.350 50 40 GKGB Cc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)n2)cc1 4599539 ZCUFTXSGNOLMDY-MHWRWJLKSA-N 379.872 5.318 50 40 GKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccn1 8429694 JUKNSBMCPNOPMS-NBVRZTHBSA-N 382.854 5.652 50 40 GKGB CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N 20459320 GHVZMLZJKLDKJA-OXFYSEKESA-N 390.918 5.206 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccc(Br)cc1 408531544 OLJHWDLNMWKDNW-WJDWOHSUSA-N 394.224 5.471 50 40 GKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 408583897 YKRJSEXWSCDTHT-XDHOZWIPSA-N 393.845 6.131 50 40 GKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc2ccccc2c1 409248846 RPZWCWIQIZQEEK-YUMHPJSZSA-N 399.469 5.079 50 40 GKGB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@H]12 2038406280 NJHIQSIODLRTDP-JVBHVNBKSA-N 391.559 5.376 50 40 GKGB CCCc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)cc1 667742 VCLLNOKDEAOGNZ-WPWMEQJKSA-N 394.478 5.013 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 948323 GZBKFOJQTJZYBV-OQLLNIDSSA-N 392.808 6.028 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c(C)c1 1410709 SNZMWNZHVDXJSC-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB O=C(N/N=C\c1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 33580810 YZFRLPQRSRZTMG-OYKKKHCWSA-N 383.278 5.276 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2CC[C@]1(C)C2(C)C 70664901 LSQKTLIPGPORGO-DQMJNTIXSA-N 390.564 5.610 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3)n2)cc1 96024164 HAHMOOVOXJYKTR-AQTBWJFISA-N 393.943 6.639 50 40 GKGB O=C(/C=C/c1ccccc1)[C@H](Br)[C@H](Br)c1ccccc1 100045920 QWRCGOMWOXYYBU-SFDDJJRUSA-N 394.106 5.169 50 40 GKGB CC(C)n1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21 6348048 SBXSMWZULWNDGE-SSDVNMTOSA-N 385.920 5.118 50 40 GKGB COc1cc(/C=C/C#N)c(Br)cc1OCc1ccc(Cl)cc1 33859869 NTPGZLIVQCFXDP-NSCUHMNNSA-N 378.653 5.227 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1Cl)[C@H](C)CC(C)(C)N2C 208211375 QWBJRQJFRCRQLB-GMJSKMFWSA-N 383.923 5.134 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1C1CCCCC1 408741647 RIGGKYYLDKPZJO-FSJBWODESA-N 392.330 5.681 50 40 GKGB CN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)NC3CCCCC3)ccc21 409144348 JMBMPSVCHQQPKU-GHRIWEEISA-N 389.524 5.275 50 40 GKGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 5756815 YNLCQDPNGVPIKW-YHYXMXQVSA-N 386.065 5.846 50 40 GKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C 6966968 GBOLPXGZCUMPRE-ODLFYWEKSA-N 391.858 6.028 50 40 GKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Cl)c1O 35242826 MCACHVREDIUKAG-KPKJPENVSA-N 388.901 5.711 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)c1 58822976 FXDQQGHYMDQSLJ-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)C)C[C@@H]2C[C@@H]1[C@H](C)C2(C)C 100756574 OBEDIMGIHQHZOK-OVCNXMPXSA-N 376.537 5.075 50 40 GKGB COc1c(Cl)cc(-c2nc3cc(CBr)ccc3o2)cc1Cl 226318017 IPHKNQLRCAYORP-UHFFFAOYSA-N 387.060 5.705 50 40 GKGB O=C(N/N=C\c1cccc(O)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408969126 HRNZYESXQCPNGA-SCDVKCJHSA-N 399.686 5.331 50 40 GKGB N#CC1=C(SCc2cccc3ccccc23)NC(=O)C[C@@H]1c1cccs1 409136878 VIVAWTXGHLBYPV-KRWDZBQOSA-N 376.506 5.173 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 409365609 QXHCLWOTVWZVSE-JAIQZWGSSA-N 385.419 5.067 50 40 GKGB Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc2c1 650434 DPUFXAGPVINAHY-NRFANRHFSA-N 397.865 5.568 50 40 GKGB Cc1ccc(/N=N/c2ccc(N(CCCl)CCCl)cc2C)c(C(=O)O)c1 4773895 XRFDKVDPDHASAL-GHVJWSGMSA-N 394.302 5.701 50 40 GKGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc3oc4ccccc4c3c2)c1C 7783228 NZNPPJDRNBFVEE-CPNJWEJPSA-N 398.462 5.927 50 40 GKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 13982885 IDSGVPAZXAACRT-YSRRJJCPSA-N 379.287 5.036 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Cl)cc1Cl 71325862 GTGZVPLJDIPZDD-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 100843686 AOEMJEJKLUFLBM-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]2Br 100848777 HTXXGYQXUWLLDZ-KCXAZCMYSA-N 390.243 5.234 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1C 408812800 TXTWTFLQGHDIMJ-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 408863197 KXWKDRRHKSJZHL-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2)cc1 409051298 BSVRWRGBWKQGOA-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB N#C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 409206864 MNELXDABKVYUNM-FQIOEHTJSA-N 398.249 5.011 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCCC2)c1C 409337487 VLMHBPBDYDZATF-STZFKDTASA-N 375.516 5.067 50 40 GKGB CCN(CC)CCOc1ccc(/C(C#N)=C\c2ccc(C(F)(F)F)cc2)cc1 4742405 FBADFTXARFJIBJ-CYVLTUHYSA-N 388.433 5.490 50 40 GKGB CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 4817127 MFOPIDZXPJUQGV-NTCAYCPXSA-N 392.440 5.094 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 5894277 YZNLQWPNVZSACI-FSJBWODESA-N 386.282 5.165 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)cc3OC)n2)cc1 6355331 AIWQAMPJQGZGGM-BOPFTXTBSA-N 392.480 5.290 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(OC)c1 6478067 DZBMNMCOBRUMCH-ZDLGFXPLSA-N 376.481 5.508 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl 408790052 MVFNDYHFRDIFJZ-VGOFMYFVSA-N 375.255 5.165 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408809153 KJKCRIACABGOBZ-HMMYKYKNSA-N 382.463 5.567 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)o2)cc1 408850766 DXXOEHCAYRAAEA-JXAWBTAJSA-N 388.492 5.847 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(F)c4)c3C)[nH]c2c1 409391874 LYBITBXKEUCOOC-YVLHZVERSA-N 386.430 5.182 50 40 GKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc(C#N)c1 6238008 AXQBIMPPOMVQNK-QFEZKATASA-N 386.454 6.355 50 40 GKGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 6948937 LELFJHXSJDZDMJ-NTEUORMPSA-N 375.255 5.246 50 40 GKGB CCN(C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1)c1cccc2ccccc12 3182509 LSRIPYQZTFGHBW-NBVRZTHBSA-N 392.405 5.401 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc([N+](=O)[O-])cc1 58823061 AKUSHVYUXPSTJE-LCYFTJDESA-N 395.758 5.481 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Cl 408580237 BJISMIVCAAJIES-OVCLIPMQSA-N 392.282 5.864 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408865800 FTJNGPWIDXEBQQ-LHVGKRBTSA-N 396.918 5.195 50 40 GKGB Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1C 4086253 QBEIFLYGKXMJIL-JLHYYAGUSA-N 384.266 5.339 50 40 GKGB CC(C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl 6345882 BSJJVINODFWJHW-UFFVCSGVSA-N 397.327 5.023 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3)n2)cc1 96024165 SCMRBRWXPAWNGP-QINSGFPZSA-N 381.888 5.839 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C 408996657 MAUXNELYJGJOFU-QQXSKIMKSA-N 381.479 5.320 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1 409069248 WUTIVIWEDSGWQU-VKAVYKQESA-N 390.895 6.037 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1 409075975 ZTZYJDBKJPWRJA-SSZFMOIBSA-N 387.895 6.432 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 409210741 MGQIMXYFRZCZQT-MLPAPPSSSA-N 390.226 5.064 50 40 GKGB Brc1c(C(Br)Br)ccc2ccccc12 1578049 FARLZWYKRKCBNX-UHFFFAOYSA-N 378.889 5.391 50 40 GKGB CC(C)(C)c1ccc(C(=O)c2c(NC(=O)CCl)sc3c2CCCC3)cc1 3426846 HVMJUUORRKHQPG-UHFFFAOYSA-N 389.948 5.333 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])c(C)c4C)o3)nc2c1 4149647 YAUHQMIDMSQFAN-LFIBNONCSA-N 398.422 5.721 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F 6602359 PLOMBGPCMDGGNI-NTCAYCPXSA-N 396.368 5.413 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C(=O)O)cc1 408544923 WCGZYNSFEKGQLM-NTEUORMPSA-N 384.218 6.016 50 40 GKGB Cc1ccc(-n2cccc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1C 409017649 NUKQKNKYKFVUSV-CFRMEGHHSA-N 391.858 5.258 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 409217241 OHTQWDOZXNDGNB-ZROIWOOFSA-N 394.770 5.271 50 40 GKGB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/C=C/c2ccccc2)c1 5205509 GHOYCSYXTBHLDO-JMLVCPAYSA-N 394.518 5.425 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 59117586 RVMSJPPWESXMOK-GXDHUFHOSA-N 397.261 5.701 50 40 GKGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 100217738 CSQZHYCSGIPVJA-AQTBWJFISA-N 389.480 5.272 50 40 GKGB Cc1ccc(Cn2cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c3ccccc32)cc1 408541702 FGLGTTXRRMYGQA-HMAPJEAMSA-N 392.458 5.760 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408868961 PZZZIPIZDDFDCW-LFVJCYFKSA-N 380.491 5.748 50 40 GKGB O=C(Nc1ccc(Cl)c(Cl)c1)NN(Cc1ccccc1)c1ccccc1 6529491 WRCVNDRWMLPILL-UHFFFAOYSA-N 386.282 5.737 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)nc2c1 9263474 SUEJJGKWFOPCCF-CPNJWEJPSA-N 399.881 6.168 50 40 GKGB CC[C@@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Cl)cc2s1 20132352 VMXPEMRLIZHRDC-SNVBAGLBSA-N 375.719 5.185 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1 408579858 KRMASTPAZOSGRM-WOJGMQOQSA-N 398.264 6.776 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3cc(Cl)ccc3OCc3ccccc3)[nH]c2c1 408975460 KPPJTXKXRGCCAX-XDHOZWIPSA-N 399.881 6.168 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2F)cc1 3192912 JYNCIZMTTQCJSF-SAPNQHFASA-N 388.398 5.172 50 40 GKGB CC(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 4175070 JPRDMSZBTJQWLY-MFOYZWKCSA-N 399.346 7.304 50 40 GKGB CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 4631529 CGIHQSKWDIBAID-QGCDCVKKSA-N 384.527 5.214 50 40 GKGB CC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 4651671 OOWQABYECCLSJN-SOYKGTTHSA-N 386.539 6.066 50 40 GKGB CCc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 4957128 YUEMPXBAQLBFQR-XNTDXEJSSA-N 395.871 5.998 50 40 GKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1C(C)C 20761155 FVQPMLWGECOLBU-WSDLNYQXSA-N 398.304 5.057 50 40 GKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2ccccc2cc1OC 33654945 VWZGSZPOMVNHRF-WGOQTCKBSA-N 398.462 5.164 50 40 GKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)c(C)c1 33761850 DSZJHIAQDAYRDS-XKZIYDEJSA-N 394.522 6.268 50 40 GKGB Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)c1nc(-c2ccccc2)cs1 48303440 XLGXLJKJJJNKAZ-UYRXBGFRSA-N 382.492 5.677 50 40 GKGB CC1=C(/C=C/C(C)=C/C#C/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1 206561662 FWMKSMNLDOXYCJ-PMCBPKONSA-N 398.707 7.987 50 40 GKGB O=C(CCSc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 408725777 HRKMRTPDWNAOIK-UHFFFAOYSA-N 388.536 5.126 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408796684 YVFSVBHVWZHPIQ-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1C 408809176 KNJWMKMHGZZKBH-FBTHGLLTSA-N 397.522 5.495 50 40 GKGB Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2)c1 408853491 UPYSIHFALYJAPE-MYYYXRDXSA-N 384.435 5.084 50 40 GKGB O=C(NN(c1ccccc1)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 850415 UFRWJQYRFWTCBA-UHFFFAOYSA-N 383.407 5.231 50 40 GKGB Cc1cccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 4063627 KYTWJDQBLIYKLK-RVDMUPIBSA-N 396.313 5.858 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(Cl)c3)n2)cc1C 4175289 KIKSGPPKXIXYBJ-GZTJUZNOSA-N 379.916 6.365 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nnc2n1CCCCC2 5410742 UGQZTWSBOVJQEK-JLHYYAGUSA-N 399.281 5.635 50 40 GKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1C 5752149 QVVAIWCNUAVPMR-WJDWOHSUSA-N 376.441 5.312 50 40 GKGB Cc1c(/C=C(/C#N)c2ccccc2F)c2ccccc2n1Cc1ccccc1F 6545633 KFCKECRLYWXJDY-RGEXLXHISA-N 384.429 6.340 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1 14134326 SMRAAFZMGDDMEF-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB CCCCN(CCCC)C(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21 27534264 ZANBXOOVXNRFIO-UHFFFAOYSA-N 379.548 5.650 50 40 GKGB Cc1ccc(N=P(Nc2cccnc2)(c2ccccc2)c2ccccc2)cc1C 106879843 QQVLSKCIKYGOAS-UHFFFAOYSA-N 397.462 6.209 50 40 GKGB Cc1cc(C)c2oc(-c3ccc(Br)c(NC(=O)CCl)c3)nc2c1 226328442 XXSXPLCXWQUCJD-UHFFFAOYSA-N 393.668 5.051 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccccn1 409233042 UGLUEUWGJHGQPT-PDGQHHTCSA-N 378.273 5.316 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 4011263 LZIAFMJREFDLCF-KGENOOAVSA-N 398.918 7.195 50 40 GKGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 4714617 KWRGQXTVCPNIGI-CSUZIONRSA-N 376.481 5.110 50 40 GKGB CC1(C)CC(=O)C2=C(C1)NC(SCc1ccccc1)=C(C#N)[C@H]2c1ccco1 12250635 LGFZPVCDWVGHHV-FQEVSTJZSA-N 390.508 5.278 50 40 GKGB Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(C(C)C)cc4)cc3C2)cc1 83260141 WDMBBVHHXNVMTL-DICXZTSXSA-N 397.522 5.403 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)c(Cl)c1 409053239 NIQBRKCENVCZRN-DHRITJCHSA-N 396.849 5.130 50 40 GKGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2)c1 409054638 UUJPCRRFXHPEAF-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCCC 409069594 JUWRMOLXANNTCI-XSFVSMFZSA-N 392.455 5.575 50 40 GKGB CCc1ccc(-c2nc(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)sc2C)cc1 4313660 AKJMRWJXPYIBGC-WOJGMQOQSA-N 375.453 5.653 50 40 GKGB CC/C(=N/NC(=O)[C@@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1 4387261 KFSRZZBKEPGRED-ZUSYLBMNSA-N 396.534 5.540 50 40 GKGB CC(CC(C)C)=NO[Si](C)(ON=C(C)CC(C)C)ON=C(C)CC(C)C 256171323 RZPFCUACWXNGQN-UHFFFAOYSA-N 385.625 5.871 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1 408869157 RVXLPCNBPHYIAZ-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)cc1 33719072 RUAFSVDCKHFJGA-XDHOZWIPSA-N 376.843 5.510 50 40 GKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1cccc(Cl)c1 408828969 KBGXLCYKJQFFQL-XQNSMLJCSA-N 388.964 5.433 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409043851 AWLRGLYZXJJGHM-YTJZSDDSSA-N 396.918 5.195 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccccc2)cc1)C(=O)NCCCc1ccccc1 409255887 ZZYDKLPHWMCCHY-PYCFMQQDSA-N 398.531 5.494 50 40 GKGB Cc1cc(SC#N)ccc1NC(=O)CC1c2ccccc2Oc2ccccc21 716957 USDCTCZFQHASCK-UHFFFAOYSA-N 386.476 5.835 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 799757 VBRZAPXCQVWTFR-LDADJPATSA-N 377.831 5.720 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)NC1CCCCC1 6220459 ZWRVQNAPXYHCCI-NTCAYCPXSA-N 399.288 5.065 50 40 GKGB CC(C)[Si](Oc1cc(NC(=O)C(C)(C)C)ccc1Cl)(C(C)C)C(C)C 198122603 YKMTWGAOPDJDTR-UHFFFAOYSA-N 384.036 6.879 50 40 GKGB in-vitro Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1Cl 408990294 WTDSLDUGFKBWKA-UNOMPAQXSA-N 395.934 6.118 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccc(Cl)cc1 409208972 BHYITVKBRPMTHE-BHGWPJFGSA-N 392.764 5.383 50 40 GKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)cc1 2758907 FTZKDTHXVXVJFU-AFUMVMLFSA-N 399.519 5.851 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3OC)n2)cc1 4175300 WIXHKTWVYDWXCG-FOWTUZBSSA-N 395.915 6.011 50 40 GKGB O=C(NNc1cccc(Cl)c1)c1ccc(-c2nc3ccccc3s2)s1 30611587 JOMRDENCXKQIPV-UHFFFAOYSA-N 385.901 5.435 50 40 GKGB Cc1ccsc1/C=N/NC(=O)c1ccc(CSCc2ccccc2)cc1 58916023 BFDNMYNNWBYSOY-LPYMAVHISA-N 380.538 5.254 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 408580249 NJEBXVJAXGMOPW-SFQUDFHCSA-N 386.289 5.701 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1OC 408582147 MCFXOBUHCJZURB-DEDYPNTBSA-N 389.426 5.486 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)c1 408759261 ASPWLZKWLRZERD-KGENOOAVSA-N 398.462 5.210 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408793964 HIIYQXXGVXRYGN-OVCLIPMQSA-N 389.282 5.555 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1 408963470 NZNAXXNIYNBIEM-ZMFRSBBQSA-N 399.416 5.185 50 40 GKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2ccccc2)cc1 409045038 XSQNUGHOJSMTRL-RGVLZGJSSA-N 394.301 6.945 50 40 GKGB Cc1cccc2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(Cl)nc12 872602 WFIYMZXJSKELAL-HXUWFJFHSA-N 397.865 5.568 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(C)cc3)c2)cc1 2805826 UBCMTMQQYPSFSW-KGENOOAVSA-N 396.446 5.068 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C 4342264 VLYPTOCWRPKTSD-DEDYPNTBSA-N 395.462 5.523 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(F)c2)c1C 5569414 FJCRRFXQMAFDPU-MOSHPQCFSA-N 387.458 5.341 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 5570914 LWCKOWKDBGLPLO-UNOMPAQXSA-N 389.886 5.602 50 40 GKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C1c2ccccc2-c2ccccc21 28444730 VAFUIXMRUMJAAQ-WYMPLXKRSA-N 381.262 5.256 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 33648605 UVJKWEIWAHQGHC-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB O=C(N/N=C1/C[C@@H]2CC=C[C@H]12)c1ccc(CSc2ccc(Cl)cc2)cc1 35085736 WRSMDMRLTBGRTP-DITQBCRDSA-N 382.916 5.314 50 40 GKGB N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 103010694 RPDNWEUVILEKEJ-JLHYYAGUSA-N 382.832 5.348 50 40 GKGB N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408756193 XXTNDDFURFDSKN-WDZFZDKYSA-N 396.071 5.302 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Br 408800269 LIJNSIHNWACCOW-LFIBNONCSA-N 399.288 5.092 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1C 409004623 AXVGVGUXVJOCIX-OEAKJJBVSA-N 397.522 5.874 50 40 GKGB ClCCN(CCCl)c1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1 1718897 VJZLQMKTTZYKOH-UHFFFAOYSA-N 384.310 5.667 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)[C@@H](O)c1ccccc1 2127159 VOSMIMJSQXRDMX-IZZNHLLZSA-N 398.442 5.475 50 40 GKGB CCC/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1cccs1 5792037 CTLXFUTVJULCHT-DEDYPNTBSA-N 376.934 5.859 50 40 GKGB CCC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1 20132569 QFAOVMRIVFLVME-SSDOTTSWSA-N 382.110 5.105 50 40 GKGB CCCC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(C)cc2s1 20132876 ZDPLDERAMSCONC-SECBINFHSA-N 375.719 5.150 50 40 GKGB COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br 408581268 VPUNPBOPSIDAPJ-IZZDOVSWSA-N 383.072 5.829 50 40 GKGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 408865673 DHLLOONCIMYDBP-LZYBPNLTSA-N 399.288 5.010 50 40 GKGB Cc1cc(/C=C(\C#N)c2cccc(F)c2)c(C)n1-c1ccc(-c2ccccc2)cc1 409389356 AVWCOUGTFZUVOB-PCLIKHOPSA-N 392.477 6.964 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)c(C)c1 2223804 VRRSMUWZRLWNSV-RVDMUPIBSA-N 397.450 6.005 50 40 GKGB CCOc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 4063655 SDTNAKISKXMWLX-NTCAYCPXSA-N 381.888 5.839 50 40 GKGB COc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 408548392 HPEXOGLMGXMUQQ-IUXPMGMMSA-N 398.687 6.328 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)Sc1nc2ccccc2[nH]1 408599539 VYPXCGNCMSDCBO-LFIBNONCSA-N 377.856 6.133 50 40 GKGB Cc1c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc2n1C 1011390 UUAWRQYBCNIEBR-AFUMVMLFSA-N 381.435 5.150 50 40 GKGB BrCc1ccc(CCCc2ccc(CBr)cc2)cc1 1670084 YDQDVPCUXBXCAC-UHFFFAOYSA-N 382.139 5.652 50 40 GKGB C[C@@H](Cl)CN(C[C@@H](C)Cl)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 1678231 ANGDJWZQAUECOB-CHWSQXEVSA-N 379.287 5.227 50 40 GKGB CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4807521 GSXJVVKVQJXKPM-GZTJUZNOSA-N 389.480 5.639 50 40 GKGB CCOc1cc(Br)c(/C=C(/C#N)c2ccccc2F)cc1OCC 33718126 MCTHLDNOJBHPCB-ZROIWOOFSA-N 390.252 5.450 50 40 GKGB Cc1sc2nc(/C(C#N)=C\c3ccccc3C(F)(F)F)nc(O)c2c1C 96669606 KDTUKRNRXVPJBF-GHXNOFRVSA-N 375.375 5.097 50 40 GKGB COc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 98002586 ZZNMCTCMXPQIGW-UHFFFAOYSA-N 383.431 5.504 50 40 GKGB O=C(N/N=C/c1ccccc1)c1ccc([C@H]2Nc3ccccc3[C@@H]3C=CC[C@H]23)cc1 229923551 HIDQBNZHKOCEDW-QSHOTXHOSA-N 393.490 5.277 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)c1 408813846 OYTBBCONTYNMFI-XSFVSMFZSA-N 384.479 5.790 50 40 GKGB O=C(CCCCBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575361138 RQTXRJASVYLJJA-UHFFFAOYSA-N 377.122 5.472 50 40 GKGB Cc1c(Cl)ccc2c([C@@H](O)CBr)cc(-c3ccccc3)nc12 1671986 KUILAJXXPFYFNH-KRWDZBQOSA-N 376.681 5.292 50 40 GKGB CCc1sc(/C(C#N)=C/c2ccc(Br)cc2)nc1-c1ccccc1 4957136 FZKANAMWDJNMGB-FOWTUZBSSA-N 395.325 6.199 50 40 GKGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 5817479 GYNDVDIGAHLMPK-SFHVURJKSA-N 390.874 5.072 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C 408587832 HKVFTOICLWAVTC-AFUMVMLFSA-N 393.918 5.057 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408787460 AJVOQQOBHRIORX-OVCLIPMQSA-N 389.282 5.555 50 40 GKGB COc1ccccc1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 408950701 HKHXLDWYBFMJTH-JJFYIABZSA-N 389.238 5.026 50 40 GKGB CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccoc3)c3ccccc3n2)cc1 1003364 UUKOTDIMZAAFIG-CIRUFVMISA-N 397.478 5.772 50 40 GKGB O=[P@@](Nc1ccccc1Cl)(c1ccccc1)c1nc2c(s1)CCCC2 3174759 FQBACXNFVMYYKB-DEOSSOPVSA-N 388.860 5.016 50 40 GKGB N#C/C(=C\c1cccn1-c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 4710878 BPWJJPZOFBGLRP-JLHYYAGUSA-N 398.249 5.035 50 40 GKGB BrCc1ccc2nc(-c3ccc(Br)cc3)sc2c1 73740251 IVNNLSKPPTVJMQ-UHFFFAOYSA-N 383.108 5.621 50 40 GKGB COc1ccc(/C=C(\C#N)c2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1 96316102 ZAOQHKHVZWDWMU-XNTDXEJSSA-N 392.871 5.184 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21 208474379 QMNBFPIIYOVORG-SXGWCWSVSA-N 388.902 5.912 50 40 GKGB N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1 34848605 BQEYWCCWJPCZEL-QCWVPXHQSA-N 377.400 5.478 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)cc(C)c1 408823213 NEIPIAFVRHUQJF-HMMYKYKNSA-N 380.447 5.014 50 40 GKGB Cc1occc1C(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 6418150 XGFXCPGRLHZMSR-ODCIPOBUSA-N 397.645 5.572 50 40 GKGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C 108950166 PTYANSSDMIHUPM-YVLHZVERSA-N 397.881 5.242 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223576722 SJQCSQVCKVESJC-YNGKYYQNSA-N 387.527 5.653 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OC 408599596 XDONXZUCCFRZEX-MLPAPPSSSA-N 378.653 5.184 50 40 GKGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(C)c(Cl)c3)cc2)c1 409053039 JKLGBNVYHIILCI-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccccc1 409083202 UUQNFZDHINUOHP-BOPFTXTBSA-N 387.351 5.359 50 40 GKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 2670469 YTQLCTBFZSLDKO-GHRIWEEISA-N 398.890 5.463 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(/C#N)c1nc2cc(C)c(C)cc2[nH]1 50568411 GRFFFROHXVGOQE-RGEXLXHISA-N 381.479 6.186 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc21 208247618 GAVXMGSXWDNZDX-HAKPAVFJSA-N 393.918 5.608 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)c1C 408997874 ORGWGMBPQWFDPC-UCQKPKSFSA-N 397.522 5.874 50 40 GKGB N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(F)cc2)cs1 875617 FYRWKAAMFRTZAW-JLHYYAGUSA-N 389.377 5.945 50 40 GKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 4106552 IRMBALKVNFPZQO-OMNRFPDCSA-N 397.522 5.291 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1 5800262 ZVSPQSLUGOLEMO-ZAAXVRCTSA-N 390.918 5.206 50 40 GKGB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 12318517 MQKDJZNKVQJXEX-AYTKSQBWSA-N 387.612 6.336 50 40 GKGB biogenic Cl[C@H]1[C@@H](Cl)[C@]2(Cl)C=C(c3ccccc3)[C@@]1(Cl)C2(Cl)Cl 104120704 WLVUCXXIQDWEAN-KXNHARMFSA-N 376.925 5.441 50 40 GKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1Cl 408539080 FFVFGTSCVXOIMA-UCQKPKSFSA-N 393.314 5.716 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc(C(F)(F)F)c1 408964454 RRIRXXZYPGAHAT-BHGWPJFGSA-N 392.764 5.383 50 40 GKGB Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c1 408996465 PGDQJQZXWYELBZ-YUMHPJSZSA-N 395.506 5.628 50 40 GKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409048176 QWKYCJJECFAOPI-MDWZMJQESA-N 391.254 5.033 50 40 GKGB CC(C)c1ccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4859725 RPNKFTRDHWCNPR-ZDLGFXPLSA-N 375.453 5.906 50 40 GKGB O=C(Cl)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127244 PSUOWCCBYSERPH-UHFFFAOYSA-N 375.038 5.763 50 40 GKGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2c1 59432686 GANCFYSVJIVZAY-LDADJPATSA-N 386.451 5.020 50 40 GKGB Cc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1 71789919 ZZYZSNODVVFFFR-NBYUQASBSA-N 388.374 5.124 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3)cc21 223501622 AKOGGFPXZAOYBU-CVKSISIWSA-N 389.543 5.478 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 252498927 RQYJZKXIKAHDLS-LDADJPATSA-N 390.870 6.017 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(/N=N/c3ccccc3)ccc2O)c1 408744941 ILASCLORKSZKMI-GCIFIVARSA-N 382.423 5.662 50 40 GKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1 408873870 WNEVKUBZQPRGQV-XDHOZWIPSA-N 390.845 5.616 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCCC 409064115 GIIUKRZYBHIYAS-HMMYKYKNSA-N 390.483 5.148 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3[N+](=O)[O-])n2)c1 4175192 YGINMSQNCAZELS-VFISYLAMSA-N 389.436 5.347 50 40 GKGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 7165159 BSGWRWVHIYWAAQ-YRNVUSSQSA-N 396.071 5.302 50 40 GKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc([N+](=O)[O-])cc1 9263659 MLSLNNSMTANGOQ-SDNWHVSQSA-N 388.408 5.279 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3Cl)n2)cc1 13775630 POIVSUFDRMWVSV-UVTDQMKNSA-N 386.307 6.402 50 40 GKGB C=CCOc1ccc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc1OC 41120685 WFUOWCWYXMRMAD-RVDMUPIBSA-N 391.452 5.065 50 40 GKGB Cc1cccc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)nc12 59211893 NSMAJFOIATXGHZ-UHFFFAOYSA-N 384.391 5.338 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1 408851098 IFSVBRWFDOYOPN-LICLKQGHSA-N 378.472 5.193 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccccc2Cl)cc1Cl 409014406 PLZWOQQDBCGFOJ-UORWWSPDSA-N 380.275 5.326 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc2c(c1)OCO2 409360998 GHULSIXCFIRFOQ-AUWJEWJLSA-N 384.218 6.046 50 40 GKGB CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)o3)c3ccccc3n2)cc1 2109715 GEYFKZULGYYIBO-WGOQTCKBSA-N 397.478 5.520 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1 3885666 LECLIAKNHMYRDU-HXUWFJFHSA-N 384.508 5.123 50 40 GKGB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)CCCCl)cc3n2)cc1 6264755 CQDGSNAGLOXUIX-UHFFFAOYSA-N 384.911 5.029 50 40 GKGB N#CC(C#N)=Cc1sc(N2CCOCC2)c(-c2ccccc2)c1-c1ccccc1 16492292 YOPVHEPYEKMZSE-UHFFFAOYSA-N 397.503 5.349 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1Cl 33638091 WYJKAFMEIFCLCO-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3[N+](=O)[O-])n2)cc1 100839817 PEUFWZGJFJZYIQ-VBKFSLOCSA-N 376.441 5.257 50 40 GKGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C 408959571 BDUZQVZPQVDIOA-PDGQHHTCSA-N 379.891 5.103 50 40 GKGB Cc1cc(C)c2nc(C)cc(SCC(=O)N/N=C/c3cccc(Cl)c3)c2c1 5006992 HAEGELUROBSSLS-FOKLQQMPSA-N 397.931 5.056 50 40 GKGB N#CCCn1cc(/C=C(\C#N)c2nc3ccccc3s2)c(-c2ccccc2)n1 5258734 AVMRLAWULJZGBQ-GHRIWEEISA-N 381.464 5.138 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)c1nc(-c2ccc(F)cc2)cs1 44827335 IXSSRNXWRUABCH-MDWZMJQESA-N 375.255 6.320 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21 208208786 RUMGLXFKPJVAHH-HAKPAVFJSA-N 393.918 5.608 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1Cl)[C@@H](C)CC(C)(C)N2C 208211414 QWBJRQJFRCRQLB-MMTYYTLLSA-N 383.923 5.134 50 40 GKGB CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 408758438 JZKLCUPEEDDCAZ-YBEGLDIGSA-N 399.288 5.030 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 4933180 OQLSRKSQKJFYBV-WXNAFCGMSA-N 376.500 5.430 50 40 GKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2cccc3ccccc23)o1 6441318 VJEUOXYCFDVBJY-LGMDPLHJSA-N 396.402 6.081 50 40 GKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1nc2ccccc2[nH]1 113832086 MHCVQIHJRAUADC-QGOAFFKASA-N 392.437 5.769 50 40 GKGB CN1c2ccccc2Sc2cc(/C=N\NC(=O)c3cccc(Cl)c3)ccc21 409142096 QTAGOIBGFZFLQG-QRVIBDJDSA-N 393.899 5.336 50 40 GKGB CN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)NCc3ccccc3)ccc21 409143462 GRBCKEFZLSZQLV-CPNJWEJPSA-N 397.503 5.142 50 40 GKGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccc(C(F)(F)F)cc1 409247564 IGBWKJQOBWWMOZ-AQTBWJFISA-N 386.417 5.768 50 40 GKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccccc3)s2)cc1Cl 954301 KPBGOVFJNNSDDU-RQZCQDPDSA-N 393.899 5.241 50 40 GKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 4063738 CMIUDLZDLNCXHW-FOWTUZBSSA-N 393.443 5.102 50 40 GKGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C2CCCCC2)cc1 4155999 LQGPUQIXHFGURQ-XQNSMLJCSA-N 379.460 5.105 50 40 GKGB CCCCCCOc1ccccc1C(=O)N/N=C(C)/C=C/c1ccccc1F 4480201 FYXHZJBNTSDURG-QNEWAYLUSA-N 382.479 5.604 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 4746529 USCWLPSSHZIRSS-MOSHPQCFSA-N 390.280 6.092 50 40 GKGB O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1cccc2ccccc12 12467708 HSJQAUJVHCASDA-UHFFFAOYSA-N 395.506 5.214 50 40 GKGB CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OC(C)C 17307214 SUXDVFSSGTXXQM-XDHOZWIPSA-N 390.508 6.060 50 40 GKGB N#CC(=C/c1nc(-c2ccccc2)cs1)/C(Br)=C\c1ccccc1 33490607 OTFSPWPBUYPQML-XFUPSFMQSA-N 393.309 6.153 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C)C(C)(C)C=C2C 208450512 AMPUYNIFGNMZNP-BKUYFWCQSA-N 399.538 5.735 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)Cn1cnc2ccccc21 408691731 OAQONKFOHHKALM-NDENLUEZSA-N 399.881 5.876 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966810 NOGLWSAPVMTFPB-CVKSISIWSA-N 391.490 5.295 50 40 GKGB O=C(N/N=C\c1ccc(O)cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408970851 LGUOFPUAUKMFCV-SCDVKCJHSA-N 399.686 5.331 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C 408999048 JVGNNMWXZFQJEI-KGENOOAVSA-N 399.494 5.265 50 40 GKGB Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2064335 XNSOYINGQWPSCI-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 4986711 CFJLBKFNHOLADM-LFVJCYFKSA-N 394.927 5.786 50 40 GKGB N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)c1nc2ccccc2s1 17700041 FQXUAXONRSXDPZ-CXUHLZMHSA-N 376.872 5.259 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc12 408809547 HLEWAYPGHIZJGA-QRMLAEHGSA-N 390.527 5.476 50 40 GKGB CC(C)c1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(C(C)C)c1O 408857661 VPNPRPFRMDIIOF-RQZCQDPDSA-N 384.317 6.466 50 40 GKGB O=[N+]([O-])c1ccc(S[C@@H]2CCCCCC[C@H]2Br)c([N+](=O)[O-])c1 1638422 YVKZGGMTGLRVBA-DGCLKSJQSA-N 389.271 5.081 50 40 GKGB CC(C)=CC[C@@H](C=C(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 98174827 DOYUZWTUYPSVIK-NDEPHWFRSA-N 399.538 6.672 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2C(C)=CC1(C)C 208515295 SNYDBJPFBVDSOQ-PDGQHHTCSA-N 389.474 5.393 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 209482562 VYQJJVBQBYGNDK-LPYMAVHISA-N 399.446 5.345 50 40 GKGB CC[Si](CC)(CC)c1ccccc1P(=O)(c1ccccc1)c1ccccc1 219785650 XHFGKQLUOFEAQV-UHFFFAOYSA-N 392.555 5.042 50 40 GKGB O=C(c1cc2ccccc2c2ccccc12)[C@H](Br)CBr 575359196 YMQHSSUKQXPWCE-MRXNPFEDSA-N 392.090 5.334 50 40 GKGB N#C/C(=C\c1c2ccccc2c(Cl)c2ccccc12)c1nnc2n1CCCCC2 6049217 AAKHXVUFKFPWDU-JQIJEIRASA-N 398.897 6.028 50 40 GKGB N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1ccccc1 6496152 NIEJIFZSPFQQJH-CQSZACIVSA-N 389.307 5.265 50 40 GKGB N#C/C(=C1/C=C(c2ccccc2)Oc2ccccc21)c1nc2ccccc2s1 31838962 NQLFIIHOCUWLHR-VHEBQXMUSA-N 378.456 6.164 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2)cc1 59133170 ZZMCATKHTKFFBC-HMAPJEAMSA-N 382.463 5.428 50 40 GKGB CCCCCCCc1ccc(C(=O)NNC(=O)c2ccc(CCC)cc2)cc1 98000569 KZLJTUDFSSYJGC-UHFFFAOYSA-N 380.532 5.227 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2[C@@H](C)CC1(C)C 223530376 XIWZVWDYXIHHEK-CICSQNLLSA-N 399.538 5.716 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)cc1[N+](=O)[O-] 408569834 QJYLGUPUJOLMMQ-ZSOIEALJSA-N 388.358 5.243 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(Cl)c1 408599607 XHMVMXBEYKGTEM-LCYFTJDESA-N 385.206 6.226 50 40 GKGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(C(F)(F)F)c1 408962398 IBWLMXNRKICTBX-AFUMVMLFSA-N 384.357 5.262 50 40 GKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1ccccc1Cl 4502562 SHDLAGNUNPUCMJ-XQNSMLJCSA-N 388.964 5.433 50 40 GKGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1Cl 4568508 JVRNNNYUVVWEOF-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OC(C)C 6616707 JZBRVDVXYAWRGZ-ZSOIEALJSA-N 390.252 5.448 50 40 GKGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 59473265 IQOMWSCBVKAPON-WXUSHSQQSA-N 390.936 5.150 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 408794973 JSYFPMWGHKKUDW-WYMLVPIESA-N 380.856 5.630 50 40 GKGB CC(C)(C)OC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 2299104 PFLIBMCNPSVODD-BUVRLJJBSA-N 396.487 5.062 50 40 GKGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1cccc(Oc2ccccc2)c1 3230010 ZQQZJBCVJQRTTK-OAQYLSRUSA-N 396.471 5.912 50 40 GKGB Cc1ccsc1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12 3238631 FMKGEJJQHRDXOL-CIAFOILYSA-N 377.494 5.097 50 40 GKGB Cc1nc(COc2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2)cs1 23053339 CBNLRXNZDFRAMS-MHWRWJLKSA-N 389.505 5.704 50 40 GKGB O=C(N/N=C1/C[C@H]2CC[C@H]1C2)c1cc(-c2ccccc2Cl)nc2ccccc12 102439509 BZPHKHGNPSCJQQ-ITPOOZBCSA-N 389.886 5.461 50 40 GKGB Cc1ccc(COc2ccc(/C=C/C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 103591968 PNBOUTZEOFBTMK-OVCLIPMQSA-N 389.407 5.101 50 40 GKGB CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(C)cc1 217708558 LWVRVJZTZPFQQP-UHFFFAOYSA-N 383.669 5.114 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1O[C@H](C)CC 408545147 ZHPYSJGFKKKYDQ-FNHQQPGVSA-N 399.874 5.678 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc2ccc(F)cc2[nH]1 408566049 DCPQOCBHAUOIIX-XFFZJAGNSA-N 398.224 6.333 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1 408727229 ZCZILORVOFHXTF-MOSHPQCFSA-N 375.855 5.992 50 40 GKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)c1 408899158 ZMXLWTSZLMESRS-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)Cc1cccc2ccccc12 409253699 BUBDLWOJXLZUMN-WPWMEQJKSA-N 396.490 5.473 50 40 GKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1 3998263 WRVBRKBWDACPDI-XNTDXEJSSA-N 394.272 5.263 50 40 GKGB Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc(C)c3C)o2)cc1Cl 13945577 JSNVIWGFLGEIIX-MSXFZWOLSA-N 396.874 5.054 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 35213881 OHIWISVMUVHMSE-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(F)cc1 38204918 BGDXIBLUYDOPOC-QRQIAZFYSA-N 397.453 5.503 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2[C@@H](C)CC1(C)C 223535892 VGVRULZFIWEKEM-NFBGKYEXSA-N 379.548 5.155 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(Cl)cc1 408772765 HSEPXOLNUMORCA-ZROIWOOFSA-N 384.218 6.016 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cl)c1Cl 6240226 UOMVBKQNGLVTRH-JXMROGBWSA-N 386.065 5.846 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2Cl)s1)c1nc(O)c2ccccc2n1 12788096 DYTRYRJLLXGQOD-ACCUITESSA-N 389.867 5.781 50 40 GKGB Cc1ccc2cc(/C=C(\C#N)c3ccc(Cl)cc3)c(N3CCCCC3)nc2c1 21581190 KZPUWYASAQBMCA-RCCKNPSSSA-N 387.914 6.251 50 40 GKGB CCCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)c(OCCC)c1 33661201 LXIRIODYADTCMS-LGMDPLHJSA-N 378.497 5.938 50 40 GKGB O/C(=C/[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 104173064 JMDYHGOEXKNXDC-YYADALCUSA-N 382.443 5.269 50 40 GKGB C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C)cc1 409128328 IWKLHMOCZPWZIS-FYJGNVAPSA-N 381.328 5.075 50 40 GKGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)cs1 1299680 VJPYXWMCSVXGDV-UKTHLTGXSA-N 381.844 5.169 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC 6350949 BJAAKKNNHISNEX-JAIQZWGSSA-N 377.871 6.355 50 40 GKGB O=[N+]([O-])c1cccc(/C=N/c2ccc3c(c2)[C@H](Br)c2ccccc2-3)c1 17314887 JMAXOOIYEFBEBJ-XLKWYTADSA-N 393.240 5.810 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1)c1nc(-c2ccccc2)cs1 33696404 RXFLSTRBUIDZLI-PXLXIMEGSA-N 394.499 6.453 50 40 GKGB COc1ccc(OC)c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c1 100331339 PBGOJNHTZZUESF-FOWTUZBSSA-N 391.496 5.421 50 40 GKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1C 107690058 UHLWVNPVRXVOND-GRSHGNNSSA-N 391.858 6.028 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1 408755375 UKZZUOXKVURHSR-KQWNVCNZSA-N 397.522 5.765 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408788285 CADYUGXSXFVTCH-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCCC 409073321 GWOWKNZDTRZKJI-CPNJWEJPSA-N 378.428 5.185 50 40 GKGB COc1ccc(Cl)cc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1 659640 NGIXOCBCPMWXSR-FSJBWODESA-N 378.815 5.012 50 40 GKGB Cc1nc(/C(C#N)=C/c2ccc(O)cc2)sc1/N=N/c1ccc(Cl)cc1 4292799 PSVJHAXBQKFCRK-PQGCEDBLSA-N 380.860 6.290 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4690142 NFGLZMWWJNUNNM-YDZHTSKRSA-N 387.266 5.336 50 40 GKGB BrCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 38722758 KVEYKXOUXTYREU-UHFFFAOYSA-N 381.313 5.780 50 40 GKGB O=C(Cl)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl 41127465 KWERMSOFVJKOIU-UHFFFAOYSA-N 382.246 6.123 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 59117009 LHQUEBGRWHTGRD-LFIBNONCSA-N 384.863 5.073 50 40 GKGB CCCCCCCCCCCC(=O)NNC(=O)c1cc2ccccc2cc1O 97944212 DJYSGCDDNIINQE-UHFFFAOYSA-N 384.520 5.227 50 40 GKGB CCCCCCCCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 100500816 MLRJUXQTOGJYLD-QUCCMNQESA-O 391.016 5.619 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3cccc(OCc4ccccc4Cl)c3)[nH]c2c1 408976418 FOOWQXDFKOTZRN-XDHOZWIPSA-N 399.881 6.168 50 40 GKGB N#C/C(=C\c1cccc2ccccc12)c1ccc(I)cc1 409371932 JYQCTDKHPZKABE-SFQUDFHCSA-N 381.216 5.509 50 40 GKGB Cc1cc(N=Nc2ccc([N+](=O)[O-])cc2Cl)ccc1NCCBr 1083148216 HONWLAUWYJFFON-UHFFFAOYSA-N 397.660 5.779 50 40 GKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc(C)c1C 949356 HJCHDISPUOZPBW-WOJGMQOQSA-N 396.512 5.211 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc2ccccc12 5214825 YSLSICLSODVDBL-FOWTUZBSSA-N 390.269 7.471 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccccc1 12363786 GZJBQGIJAXUHFU-UYRXBGFRSA-N 377.285 5.921 50 40 GKGB CCC1(CC)Cc2ccccc2C(NC(=O)Nc2ccc(Cl)cc2)=C1C#N 15841445 YFTBEFMUYRWANE-UHFFFAOYSA-N 379.891 5.759 50 40 GKGB N#C/C(=C/c1ccccc1)c1nc(CSc2nc3ccccc3s2)cs1 33681457 MUOVZZDJJOHFEP-GDNBJRDFSA-N 391.546 6.109 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2)c1 59202121 OPFGZTRRYZIHEY-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c1 408542255 HZZAWCAGBHALON-HYARGMPZSA-N 393.490 6.131 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)cc1C 408603515 RKYXBRUWLKFBDB-XNTDXEJSSA-N 378.378 5.387 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)c1nc2ccccc2o1 409074777 VNKCGCISWIGUFB-UNOMPAQXSA-N 396.402 5.169 50 40 GKGB CC(C)(C)OC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 3225817 BNTIZALBTOSJQW-XIEYBQDHSA-N 387.483 6.015 50 40 GKGB Cn1cc(C(=O)c2ccccc2F)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 3883283 DFNQYSQFTZXOCI-XNTDXEJSSA-N 398.359 5.478 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)c1 4511440 OOJLHZYZTTXFBF-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 5817483 GYNDVDIGAHLMPK-GOSISDBHSA-N 390.874 5.072 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1 14134315 XTELBQYNFPCXIR-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccccc1 408934665 FOTWCHKODSCARR-UNOMPAQXSA-N 388.854 5.465 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1F)c1cccc2ccccc12 409314554 LDHSMSLVCSMBAE-JWGURIENSA-N 379.434 6.622 50 40 GKGB CCn1c(C)c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 409391168 HNVWMXFBKAEIGK-OVVQPSECSA-N 395.506 5.252 50 40 GKGB CC(C)C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2[nH]1 606440371 XRDXMZAROCJAHL-MAUKXSAKSA-N 391.606 5.480 50 40 GKGB biogenic Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1Cl 1453337 DYMWLVJCQNBKJW-XNTDXEJSSA-N 380.806 5.593 50 40 GKGB N#C/C(=C/c1cccnc1)c1nc(CSc2nc3ccccc3s2)cs1 5572557 WTPSSSBYLORZJA-ZSOIEALJSA-N 392.534 5.504 50 40 GKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 9190484 APWMQSIKMFABTJ-XIJPWPHISA-N 379.287 5.036 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1ccc(Cl)cc1 35316368 AFTCHFZHDKNFDC-LJQANCHMSA-N 398.853 5.101 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 408580695 QYZBGBYGXQAWFS-UDWIEESQSA-N 394.301 6.945 50 40 GKGB CC(C)Oc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)c(OC(C)C)c1 408691817 RTJFELGISVXKIT-WQRHYEAKSA-N 375.472 5.218 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(O)cc1 408793510 FORXBDSHNGFDDP-UKTHLTGXSA-N 399.233 5.505 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC 408804185 CXRIAQWEMLTLNP-NBVRZTHBSA-N 386.451 5.101 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1 408857111 SEQRWDVJJNAZFK-FMCGGJTJSA-N 378.815 5.419 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)n1 408977782 JYJYEHJBASISBI-YBFXNURJSA-N 392.890 5.117 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C 1061831 BVBZLPFJMYTNAY-DEDYPNTBSA-N 387.458 5.396 50 40 GKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 9190486 APWMQSIKMFABTJ-YSRRJJCPSA-N 379.287 5.036 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1[N+](=O)[O-] 44827413 ASGLYYRXRVXSRE-RQZCQDPDSA-N 391.452 5.408 50 40 GKGB CCCCCCCCC/C=N\NC(=O)C(=O)N/N=C/CCCCCCCCC 104375724 WIWFSISEOXTBJM-KDMDJZHMSA-N 394.604 5.472 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc21 208202831 DGEZBCLGFJISCY-JQFNYASXSA-N 395.344 6.235 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1 408587313 FHGGBCNZWVMDNK-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1 408746445 ZGCMWEORHKGDRI-BOPFTXTBSA-N 387.395 5.017 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1Cl 409013812 VWZZMAZMMQHMMA-UGMNDJHYSA-N 380.702 6.888 50 40 GKGB COc1cccc(C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1 4524206 AXLMRTGOWLORGG-JJFYIABZSA-N 389.238 5.026 50 40 GKGB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/C=C/c2ccccc2)c1 5205506 GHOYCSYXTBHLDO-HQIQXTTFSA-N 394.518 5.425 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)Sc1nc2ccccc2s1 6238116 OUWQLUBAEYRPBT-LFIBNONCSA-N 394.908 6.866 50 40 GKGB N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6495723 PGNMSWSWUCUKQV-OAHLLOKOSA-N 389.307 5.265 50 40 GKGB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1C[C@@H](Br)C21OCCO1 12661709 QAHFVTOKOXJWRU-ZSXPZZPQSA-N 395.381 5.312 50 40 GKGB biogenic CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12 33524873 IZKIZFYPCWOABC-IWIPYMOSSA-N 380.875 5.436 50 40 GKGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(Cl)c(Cl)c1 59417845 FIENBQRRNLDQIJ-YDZHTSKRSA-N 385.250 5.550 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c(C)c1 408851358 BVIDRSGIQSQAST-QFEZKATASA-N 385.467 5.221 50 40 GKGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2ccc(Br)cc2)cc1 15229405 QQEBWOJEWTYCPY-VKAVYKQESA-N 392.300 5.370 50 40 GKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 58871918 WAHRMHRMGMPAQP-CVKSISIWSA-N 383.495 5.094 50 40 GKGB C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(OC(F)F)c1 58953798 FELWSKIRXQJQFB-IUODEOHRSA-N 375.506 5.179 50 40 GKGB Cc1cc(C)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 102055768 RRIQNSCYNADBJS-UHFFFAOYSA-N 395.486 6.421 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 408791759 BZWHEFMQYIWFRS-CXUHLZMHSA-N 399.277 5.168 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 408802330 ZEAHROPDPZSVNK-CPNJWEJPSA-N 396.877 6.501 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1cccc(C(F)(F)F)c1 409104555 FTQCYBVDOUHXHT-VBKFSLOCSA-N 382.341 5.258 50 40 GKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 3174367 SNUAJJHLIVRFIR-ZVHZXABRSA-N 383.278 5.276 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1cccs1 5576292 AOQPNOQNANCINT-AFUMVMLFSA-N 389.455 5.256 50 40 GKGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(C(C)C)cc1 13324329 OOEIJLOSVKMZFL-IDCFTIPTSA-N 376.544 5.751 50 40 GKGB Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/C=C/c3ccccc3)c1)C2 59501521 XVBKSHQOSBGONM-DKJBQSCQSA-N 395.506 5.253 50 40 GKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl 408746108 XIVQQYUAFUMMTL-ZSOIEALJSA-N 375.255 5.246 50 40 GKGB N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(N)=O 408866616 HKOFYRWPDUNBFZ-XNTDXEJSSA-N 397.261 5.118 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)CC)c(Cl)c1 409019902 KTWFXOFKTNVENV-BRYHAGSVSA-N 382.891 5.625 50 40 GKGB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 4024596 MQKDJZNKVQJXEX-HQPWQNDLSA-N 387.612 6.336 50 40 GKGB biogenic CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 4525072 QMIBLFVZWKGSBK-RIYZIHGNSA-N 375.255 5.326 50 40 GKGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4851739 MUGMYCBDMMTNKL-WLDGUDFISA-N 391.298 5.530 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1 6211898 PVEXTXDHXQSMMG-QNGOZBTKSA-N 398.462 5.128 50 40 GKGB C=C(C)c1cccc(C(C)(C)NC(=O)NNc2ccnc3cc(Cl)ccc23)c1 12573242 RQYCFPNEYAVSCW-UHFFFAOYSA-N 394.906 5.483 50 40 GKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OC(C)C 41120682 INHRPWPRYPZWLS-XNTDXEJSSA-N 393.468 5.287 50 40 GKGB CCCCCC[C@H](Br)C[C@@](F)(Cl)C(F)(F)Br 59188656 IVXKUGOCECZHGU-IUCAKERBSA-N 388.493 6.003 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)cc1 209279502 CCXLMNJRDFWQDH-QNGOZBTKSA-N 398.462 5.210 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)c2C)c1C 408806517 JMFITAOCRRKKAZ-VRTAOLKKSA-N 389.543 5.313 50 40 GKGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408921796 CATBTDWIMPFFLY-BJMVGYQFSA-N 396.617 5.101 50 40 GKGB O=C(N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 408934537 LUXKEOOEXKBVLN-MXAYSNPKSA-N 397.356 5.006 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)NC1CCCC1 409190618 SZZDILBPSJAYGQ-JWGURIENSA-N 396.490 5.385 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 4063633 FSRUCLBRDKJAHF-RVDMUPIBSA-N 396.313 5.858 50 40 GKGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 4714618 KWRGQXTVCPNIGI-BXDFRRGMSA-N 376.481 5.110 50 40 GKGB C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)C)C[C@H]2C[C@@H]1[C@H](C)C2(C)C 100756577 OBEDIMGIHQHZOK-JFNLIGNMSA-N 376.537 5.075 50 40 GKGB CCCCSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 100827879 ONSCKXCCMAFSRJ-NRFANRHFSA-N 380.557 5.772 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 408549869 AOXDUNFCZJCACA-ZHZULCJRSA-N 388.392 6.713 50 40 GKGB N#CCC[C@@H]1CCCC/C1=N\NC(=O)CSCc1ccc2ccccc2c1 408725798 IAZVHGNICAVNSH-QIRGYHFYSA-N 379.529 5.039 50 40 GKGB C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1 408741108 GRYPPKXCOYAOFC-PGMHBOJBSA-N 397.478 5.205 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 408799023 XYACGVLYQSPEMG-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1C(C)C 408848735 SXFXGEXDNMSQLL-UDWIEESQSA-N 376.500 5.680 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2)cc1 408941615 XIMRQCJSGGRXLM-UCQKPKSFSA-N 396.490 5.737 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](/N=C/c1ccccc1)C(F)(F)F 1885286 MGMQZTWCGXTNGM-UVPCLOGWSA-N 387.341 5.008 50 40 GKGB COc1cccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 4174906 RYEMQRDUZSNXQP-AUWJEWJLSA-N 387.291 6.190 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1F 5022279 CMAJDFPXNIYDBK-GHRIWEEISA-N 385.467 6.387 50 40 GKGB CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(C(C)(C)C)c1O 34839579 KOMRSHKSKBIXGI-ATVHPVEESA-N 376.500 5.533 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1cccc([N+](=O)[O-])c1 35400473 PHLOSYRYJYZDAH-ZROIWOOFSA-N 394.770 5.271 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1Cl 57398156 ZTPCSOKKKUWZGF-UYRXBGFRSA-N 388.854 5.465 50 40 GKGB CCCCCCSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 102572800 MJSLDSIINUVJQX-OAQYLSRUSA-N 380.557 6.578 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2C(C)=CC1(C)C 208507188 LPYYHMZTKZZHFH-ZVHZXABRSA-N 381.907 5.126 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 409067767 RDSVBKAQIFXINP-HYARGMPZSA-N 399.446 5.427 50 40 GKGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc2ccccc2c1 4503320 RXEDNDLPXIVBON-YZSQISJMSA-N 380.447 5.183 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)cc1OC 16960069 VMGOJNJWQLEWIV-SDNWHVSQSA-N 397.887 5.457 50 40 GKGB N#C/C(=C\c1ccccc1OC(F)F)c1nc2cc(C(F)(F)F)ccc2s1 22608497 SXKLUWLHXIJTRP-YRNVUSSQSA-N 396.340 5.981 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1 408735374 QYIVPKVHCRBWBZ-GZTJUZNOSA-N 393.849 5.432 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc12 408805107 DTNRSQFQAQXRAV-CJLVFECKSA-N 398.506 5.140 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(F)c3)n2)cc1 13648613 AKKRRZRUKSBUCM-ATVHPVEESA-N 395.478 6.263 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)c(C)c1 36638791 ZSUWAWAKWJFAGT-NVNXTCNLSA-N 377.425 5.105 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)cc1 58926978 FYLKPLRRXVEJTI-WWJLXRQJSA-N 391.540 5.033 50 40 GKGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CSCc2ccccc2)cc1 59473178 HMNNGNLFPYBOFN-ZVHZXABRSA-N 394.927 5.537 50 40 GKGB C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2C[C@@H]1[C@H](C)C2(C)C 70686835 GAFQCQFVIRUOEG-LUCIHVKJSA-N 390.564 5.465 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)c(C)c1 408865596 DGKFKIYEUOJLIS-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 4743208 PBOVZLKBMZWSLY-SSZFMOIBSA-N 392.842 5.544 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 4814121 JKTIHBVWOHVRGX-YVNNLAQVSA-N 393.657 5.671 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1NC(=O)c1ccccc1 8334376 MXRDRJXPWFPVGK-MOSHPQCFSA-N 375.859 5.206 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccc(C(F)(F)F)cc1 35331940 CRFPQUFAYUAHQR-VBKFSLOCSA-N 382.341 5.258 50 40 GKGB O=C(N/N=C/c1cccc2ccccc12)c1ccc(CSc2ccccc2)cc1 59473056 XEKMWTFPSCLXTP-YZSQISJMSA-N 396.515 5.896 50 40 GKGB CCn1cc(C)c(/C=C(\C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 96577713 FQQRYSMYDOZTON-CNHKJKLMSA-N 378.545 5.200 50 40 GKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC 408540066 MMORIBPDHYFWIC-BWAHOGKJSA-N 396.531 5.507 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc2c(c1)OCO2 409366573 WKLGRXFDWZQFCE-ODLFYWEKSA-N 389.838 5.712 50 40 GKGB COC(=O)c1ccc(Cn2cc(/C=C(\C#N)c3ccccc3)c3ccccc32)o1 409390676 GORYDCSVSJMQIR-QGOAFFKASA-N 382.419 5.133 50 40 GKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc2ccccc2c1 664581 NVVOKJWLVANNJJ-LJQANCHMSA-N 398.853 5.101 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccco2)cs1 4304287 YQSCEFDHALEVCS-GXDHUFHOSA-N 389.392 5.635 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2C(C)=CC1(C)C 208502872 GKSVTIFKSQCUKW-BKUYFWCQSA-N 399.538 5.871 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccccc1 409075007 WLWBZHIDCYYFKK-KOEQRZSOSA-N 395.502 6.457 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3)n2)cc1 1253403 WNTCYCNKSKJNNS-QGOAFFKASA-N 377.488 6.124 50 40 GKGB O=C(Sc1ccc(Cl)cc1)[C@@H](Cl)[C@@H](Cl)c1ccc(Cl)cc1 1685417 RJWWDVMPCZLDGN-KBPBESRZSA-N 380.123 6.200 50 40 GKGB N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc3ccccc3c2)cs1 5023489 UQBHWXOLPXJZTM-UYRXBGFRSA-N 396.475 5.039 50 40 GKGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(Cl)c3ccccc23)c1C 7781293 LLVHNOARLQITLR-QGOAFFKASA-N 392.886 5.834 50 40 GKGB Cc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)s1 13029442 BQDHNRCWRKCMRT-RIYZIHGNSA-N 376.462 5.351 50 40 GKGB S=C=Nc1ccc(-c2csc(Nc3ccnc4cc(Cl)ccc34)n2)cc1 13222790 MZOJJGUGKVJMIJ-UHFFFAOYSA-N 394.912 6.490 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Br)c3)c2C)c1 408764737 VHZAFXNDMSIRAV-NDENLUEZSA-N 391.312 6.229 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408808475 PTURZWDMPSATEC-SAPNQHFASA-N 388.854 5.604 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)o1 409216837 MAFNTEMBRJFVEN-GDNBJRDFSA-N 375.340 5.136 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(OCC)c1OCC 409330511 AXMJBOCUEYQBBS-JWGURIENSA-N 383.491 6.430 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3C)n2)cc1C 13774007 DINQIPDLHPLJDQ-BOPFTXTBSA-N 379.916 6.365 50 40 GKGB C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2C[C@H]1[C@H](C)C2(C)C 100757982 GAFQCQFVIRUOEG-YDLHNXBPSA-N 390.564 5.465 50 40 GKGB biogenic ClCCN(CCCl)c1ccc2c(c1)Cc1cc(Br)ccc1-2 1678229 SYKNAGFUUILZBB-UHFFFAOYSA-N 385.132 5.304 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(C)cc1C 33706255 KPLYGMLDHOXENB-WGOQTCKBSA-N 397.478 5.020 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])c1 39884391 POLKHHWYLRJXAK-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2[C@H](C)CC1(C)C 260569506 QOLBKGYUHBXWDB-FRQJIFLKSA-N 381.495 5.090 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(Cl)cc1 408602357 MVNKWSDAGDEXPL-YVNNLAQVSA-N 377.202 5.156 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C(C)C 408855747 HAKLWPORUTWRSV-UDWIEESQSA-N 376.500 5.680 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2CC)c1C 408967759 RXZJXSDGBWJRDU-KQWNVCNZSA-N 397.522 5.765 50 40 GKGB Cn1nc(C(F)(F)F)c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c1Cl 1399201 SLRDIKZDJKJRIP-XBXARRHUSA-N 380.584 5.463 50 40 GKGB Cc1cccc(C)c1N/C=C(/C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 2205254 JCQWGUMDIJWOHC-YBEGLDIGSA-N 375.453 5.132 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 4724468 PFASWDPJKCUPBK-OSKVOAQMSA-N 389.326 5.545 50 40 GKGB N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 4815203 GPDYFAZZJADXRU-UKTHLTGXSA-N 381.844 5.169 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 6934259 XOCUTCLWXXWPDD-HAKPAVFJSA-N 398.890 5.380 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C)cc1 59245249 FBDCSKNJSQTQHE-XQNSMLJCSA-N 396.490 5.682 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)cc1 59255456 PDTDBCIXACQZRI-XQNSMLJCSA-N 396.490 5.682 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 102247256 OABVOERAKHNDFR-WDFAAARYSA-N 383.319 5.081 50 40 GKGB O=P(Nc1ccc(Cl)cc1)(Nc1ccc(Cl)cc1)N1CCCCC1 104162623 HRBOOWJVYYUJLP-UHFFFAOYSA-N 384.247 6.111 50 40 GKGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)c1 223171314 ZZYROLOZGRBURB-BKUYFWCQSA-N 399.494 5.265 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408812550 SQQSOKQRCZCHBQ-GZTJUZNOSA-N 398.890 5.382 50 40 GKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl 408885677 DRQZYBGWMAMXQX-XDJHFCHBSA-N 396.918 6.153 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)cc1C 1003411 MKMQSKNJVMEFDG-ZMOGYAJESA-N 385.492 5.344 50 40 GKGB Cc1sc2nc(/C(C#N)=C/c3ccc(OCCC(C)C)cc3)[nH]c(=O)c2c1C 5071228 CRBCBUZVQXSADE-GZTJUZNOSA-N 393.512 5.091 50 40 GKGB Cc1c([C@@H]2[C@H](CCNC(=O)CCl)C2(C)C)c2ccc3ccccc3c2n1C 5249816 FDDZAZIEQHYAGN-RXVVDRJESA-N 382.935 5.125 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(C)C 59297164 UCKRPZIWOIQDPX-OVCLIPMQSA-N 389.282 5.635 50 40 GKGB C[C@H](C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100009217 GMFWRKIIXJXFOG-JOCHJYFZSA-N 395.462 5.252 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C 409007582 PIZKDLBTTICPLF-OEAKJJBVSA-N 397.522 5.874 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(Br)cc3)n2)cc1 6356347 ZJSBPCVHEJDQRT-BOPFTXTBSA-N 395.325 6.199 50 40 GKGB CC(=O)Nc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 12741420 PWJWFVBWLIYDID-MDWZMJQESA-N 387.386 5.338 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1 59137644 IDTFWCWQKFNUNQ-SSZFMOIBSA-N 376.387 5.030 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 196385527 CZMGMFCXMCQYGU-GZTJUZNOSA-N 398.890 5.382 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C 223573098 KBAMYNXYHJYRLB-MMDHUZEPSA-N 397.950 5.524 50 40 GKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OC(C)C 408569994 RIZOWYDZGQEPFM-MLPAPPSSSA-N 385.826 5.215 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408579929 LNPPZWAYXWFJNJ-UDWIEESQSA-N 394.301 6.945 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1O 408599553 WIESYQHEXBFPFL-MLPAPPSSSA-N 378.653 5.271 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)cc1 408754491 KNHSUBVUHLYUGZ-PEZBUJJGSA-N 390.464 5.375 50 40 GKGB C=CCn1c(C)c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 408965077 GGVCFIZUMAXTJB-FMCGGJTJSA-N 386.282 5.206 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc3ccccc13)[C@H](C)CC(C)(C)N2C 208216038 POHSZFTWMQKRMG-AXNZHVIBSA-N 399.538 5.634 50 40 GKGB COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)ccc1Cl 408598709 JAUPLOMXVYYZSY-GDNBJRDFSA-N 398.245 6.104 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1 408738123 OUZKVDASIGOPDH-FSJBWODESA-N 386.282 5.165 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 408854549 IDCJTCQGQOQQOF-OWBHPGMISA-N 382.250 5.330 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc2c(c1)OCO2 409364049 MXKNHFSTWLVITQ-DHDCSXOGSA-N 394.224 5.502 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)c1 4263944 DXPOHGKSSTVJPS-RVDMUPIBSA-N 381.888 5.757 50 40 GKGB Cc1c([C@@H]2[C@@H](CCNC(=O)CCl)C2(C)C)c2ccc3ccccc3c2n1C 5249818 FDDZAZIEQHYAGN-NQIIRXRSSA-N 382.935 5.125 50 40 GKGB CC(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 5644674 AVIASKWBCBQXBM-CFRMEGHHSA-N 396.874 5.253 50 40 GKGB N#C/C(=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nc2ccccc2s1 5777538 NDFUISXJUYEXRT-BJMVGYQFSA-N 376.224 5.575 50 40 GKGB N#C/C(=C/c1ccccc1Br)C(=O)Nc1cccc(C(F)(F)F)c1 33728735 MBYXJXQWHUSAAT-WQLSENKSSA-N 395.178 5.014 50 40 GKGB Cc1cc(N(CCCCl)CCCCl)ccc1/C=N\c1cccc(Cl)c1 104138067 KHBFNLNBTSLJLK-IWIPYMOSSA-N 397.777 6.463 50 40 GKGB COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408883633 QMKMJSBYBAEJPP-NYYWCZLTSA-N 381.646 5.201 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc2c(c1)OCO2 409361527 HMGYAUSFSGGVHF-ODLFYWEKSA-N 389.838 5.712 50 40 GKGB O=C(CBr)c1cccc2c1cc(Br)c1ccccc12 1676774 RTCDUUFDWORCBT-UHFFFAOYSA-N 378.063 5.333 50 40 GKGB N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 4995914 ZUFXFFATSPORCI-ATVHPVEESA-N 389.430 6.218 50 40 GKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(C(C)C)c3ccccc23)cc1 20198124 HMHCRWPDYYKURF-BUVRLJJBSA-N 377.488 5.083 50 40 GKGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 59473264 IQOMWSCBVKAPON-QQHUYRGFSA-N 390.936 5.150 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccccc1F 63275696 RBVHIESUJYWJFN-PDGQHHTCSA-N 390.389 5.089 50 40 GKGB N#C/C(=C/Nc1cccc(Br)c1)c1nc(-c2ccccc2)cs1 100057799 NVXNHYLLTKDCCL-KAMYIIQDSA-N 382.286 5.549 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc([N+](=O)[O-])c1 108974405 UXFQSXQVSWJNAC-LCYFTJDESA-N 395.758 5.481 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccc(Br)cc1 408530405 LRIMODFJWCXNCX-ZHZULCJRSA-N 390.280 6.092 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 408580597 CYLKDVRHTIJCCK-LFVJCYFKSA-N 391.470 6.492 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C 408804003 BROBFGNDMMLRRA-JCZNGMBUSA-N 376.500 5.230 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 33677114 PFARMFMTCURNPN-CIKBWMHTSA-N 395.890 5.775 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)cc2)cc1 59266522 SUEVEZGLNFGTPB-XQNSMLJCSA-N 396.490 5.682 50 40 GKGB Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102604911 LFBQOZQDQHZIMP-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB N#C/C(=C(/O)[C@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 102645825 KBKTVXUYHHTTGD-RPNKJLHZSA-N 383.476 5.889 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C 223548501 NEPHYMPGGCDSMP-BCUAHEQISA-N 378.947 6.905 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl 408742600 BJFGZTPZRRPXQP-DHDCSXOGSA-N 387.266 5.412 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 408787818 GRNVHWCXPJVPPW-XNTDXEJSSA-N 380.806 5.593 50 40 GKGB CN(C)c1ccc2c(c1)S/C(=C\C1=CC(=C(C#N)C#N)CC(C)(C)C1)N2C 685944216 BPZLYHRPJOGPBP-NKVSQWTQSA-N 376.529 5.226 50 40 GKGB CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2327997 BVQCGUOPIYWJGM-OBGWFSINSA-N 396.443 5.665 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)cs1 4154912 QKHXCGRISZGLTK-JCMHNJIXSA-N 394.499 6.453 50 40 GKGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc2ccccc12 4503867 BMKBGCGJJGFUMI-LTGZKZEYSA-N 390.442 6.178 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OC(C)C)c(OC)c1 408874124 YYCPGXDKKZESFO-LICLKQGHSA-N 398.890 5.244 50 40 GKGB N#C/C(C(=O)c1ccc(C(=O)c2ccccc2)cc1)=C1/Nc2ccccc2S1 4058911 HVRWUKFPWFLCOM-PTGBLXJZSA-N 382.444 5.053 50 40 GKGB N#CC1=C(SCC(=O)c2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccco1 8336933 LBLASODEDMNYIL-HXUWFJFHSA-N 390.464 5.165 50 40 GKGB CCCCCCCC(=O)N/N=C/c1c(Br)sc2ccccc12 8402276 FZZUIUJCYMUKJG-XDHOZWIPSA-N 381.339 5.474 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1F 33617681 YNRBJARRFIZSDG-AQTBWJFISA-N 386.857 6.546 50 40 GKGB Cc1cccnc1N[C@@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 98008926 VWPRQMKAWHJVCR-HSZRJFAPSA-N 388.407 5.108 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 208448795 KUCFDBRBAPOEHK-MOSHPQCFSA-N 385.511 5.426 50 40 GKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 2670465 BFGWAEOHZSRFQH-GHRIWEEISA-N 398.890 5.463 50 40 GKGB C/C(=N\NC(=O)c1ccccc1F)c1ccc2c(c1)Nc1ccccc1S2 4863632 YVZFTTIORUDPKQ-ZMOGYAJESA-N 377.444 5.188 50 40 GKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 33406576 XVXCRILPBMXZCE-VBKFSLOCSA-N 387.405 5.097 50 40 GKGB N#C/C(=C/c1ccc(C#N)cc1)c1nc(C(c2ccccc2)c2ccccc2)no1 96884102 GWAGZGWKQZLPBI-JCMHNJIXSA-N 388.430 5.186 50 40 GKGB Cc1cc(OCc2ccccc2)ccc1C(=O)CCCCCBr 394771570 GNSNFKIPYKPPBU-UHFFFAOYSA-N 375.306 5.712 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccc(F)cc2[nH]1 408568049 RVMRGLGOAWDWKI-YRNVUSSQSA-N 398.224 6.333 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C 408999440 LBGKJDVLRZLGSM-UCQKPKSFSA-N 397.522 5.874 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)=O)cc3)n2)cc1 1288609 ORMJVNKSGBCRPL-QGOAFFKASA-N 389.480 5.388 50 40 GKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)Sc1nc2ccccc2s1 33385232 GCIVIQIYPBJYKG-NBVRZTHBSA-N 394.524 7.259 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1C 409074542 VGHQCQBINOMPGU-HYARGMPZSA-N 383.495 5.565 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(C#N)cc1 409368250 QFUGSUQUMMHGBV-DHDCSXOGSA-N 375.771 5.444 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(C#N)cc1 409372816 QYYUWARHVBDAJY-SXGWCWSVSA-N 375.771 5.444 50 40 GKGB Cc1ccccc1C(=O)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 821733 ONSNHMNEKDNWLE-UHFFFAOYSA-N 388.858 5.016 50 40 GKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 1823007 VCIDRVPCXQHSLR-CPNJWEJPSA-N 397.409 5.801 50 40 GKGB CCc1cccc(C)c1NC(=S)P(=O)(c1ccccc1)c1ccccc1 2561322 BJUUFXWLHFUUDQ-UHFFFAOYSA-N 379.465 5.268 50 40 GKGB CCN(CC)[P@](=O)(C(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3122357 IZKFTCOXTFPSGG-FQEVSTJZSA-N 377.079 5.742 50 40 GKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1 4871738 LPOPTASAMWNFMK-LTGZKZEYSA-N 395.531 6.387 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)cc1 8659727 AQAFJWCDGMMNCH-NBVRZTHBSA-N 398.491 5.734 50 40 GKGB Cc1ccc(C(=O)/C=C2\SS/C(=C/C(=O)c3ccc(C)cc3)S2)cc1 16954305 FQKPINNOUFFAKI-UHWBUFEVSA-N 384.547 6.180 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc(Cl)cc1Cl 59505798 QCALOFFFQQGOKP-SRZZPIQSSA-N 391.279 5.502 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 408583919 YSHJIEXAQPJNJK-XSFVSMFZSA-N 386.407 5.247 50 40 GKGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccc(Cl)c(Cl)c1 408585795 IUGJXYUJZBTYCU-QDEBKDIKSA-N 397.055 5.549 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2c(OCC)ccc3ccccc23)c1 408743096 UPVDAKQMPUXXFT-NBVRZTHBSA-N 386.451 5.183 50 40 GKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408803996 BPLYUCOAHRFGFQ-NTEUORMPSA-N 375.255 5.326 50 40 GKGB CC1(C)[C@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@]1(C)[C@H]2Br 4185016 HTXXGYQXUWLLDZ-UHOFOFEASA-N 390.243 5.234 50 40 GKGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1 216069355 POGMENRITFBKIE-XIEYBQDHSA-N 378.516 5.677 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(C#N)c1 408567982 RFJUGBHREUGJTJ-DHDCSXOGSA-N 375.771 5.444 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408582167 MGYHYUJSMISVKL-XDHOZWIPSA-N 393.845 6.131 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(C#N)cc1 409368158 NTAKJHPXNYMMTP-XYGWBWBKSA-N 386.454 6.355 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccc(-c4ccccc4)cc3)n2)cc1 4670515 FYMYJMRAWLNMSM-PXLXIMEGSA-N 394.499 6.550 50 40 GKGB CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 5418491 XPTGQXSDEUJXAL-NRFANRHFSA-N 382.891 5.387 50 40 GKGB CCCOc1ccc(Br)cc1/C=C(/C#N)c1cccc2ccccc12 6324317 MPYAATMMJGFQKC-AQTBWJFISA-N 392.296 6.455 50 40 GKGB O=C(N/N=C(\c1ccccc1)C1CCCCC1)c1sc2ccccc2c1Cl 6829377 FJOZRYJXZJHEQF-HIXSDJFHSA-N 396.943 6.269 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1C 408960214 JSFSOWLIJCAQQA-HMAPJEAMSA-N 394.522 6.214 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1C 4710863 HRZHDHGZCICJJR-PXLXIMEGSA-N 383.495 5.511 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 5258325 UNROIKIVNBHODL-OQLLNIDSSA-N 382.872 5.545 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 5798820 SYDLOASIRQDWJN-RCCKNPSSSA-N 391.474 5.544 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(Cl)c3)n2)cc1 13659267 NWNVEOIMIUGOOS-RAXLEYEMSA-N 385.851 5.588 50 40 GKGB C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1Cl 38202427 MMMXGTPLIQMCAN-QRVIBDJDSA-N 393.314 5.210 50 40 GKGB CCCCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C2=C(O)CCCC2=N1 100703051 VDBBPCUJTHCPLL-LJQANCHMSA-N 384.501 5.203 50 40 GKGB COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccc(F)cc1Cl 226336793 MNRWYDCFTCMWBG-GORDUTHDSA-N 389.637 5.499 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3c(OC(C)C)ccc4ccccc34)[nH]c2cc1C 408542666 KSEVPXXQAIRCPS-CPNJWEJPSA-N 381.479 6.184 50 40 GKGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 408599844 MKLCSJSOIVMRDC-YZSQISJMSA-N 388.511 5.690 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408740104 DLWCYGYPCOZPMA-UNOMPAQXSA-N 393.845 6.131 50 40 GKGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 408780137 SZZDKFWZZKBFNY-YBEGLDIGSA-N 389.282 5.004 50 40 GKGB Cc1ccc(Cn2cc(/C=C(/C#N)c3ccc(Cl)cc3)c3ccccc32)cc1 409354597 IMAVKACBDJPMNZ-STZFKDTASA-N 382.894 6.716 50 40 GKGB N#C[C@@H](c1ccc(OCc2ccccc2)cc1)N(C(=O)CCl)c1ccccc1 2378317 YUESFWNUEBKBIE-QFIPXVFZSA-N 390.870 5.102 50 40 GKGB O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1cccnc1 4702567 QCEZDNUYKVITNQ-RVTFTXCGSA-N 395.422 5.120 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)o1 33664279 BOXAHEFSIVOKFT-GDNBJRDFSA-N 375.340 5.136 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@H]2c2ccccc2)cc1 33745409 MZKYMNBEUCGECO-YHHBSCGTSA-N 392.458 5.601 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OC(C)C 59201469 RBNDDJUSFIGWKW-XDHOZWIPSA-N 378.472 5.035 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408798754 WVTOSAITLSHNHZ-LFYBBSHMSA-N 395.673 5.510 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)c2C)c1C 408806518 JMFITAOCRRKKAZ-ZLOVHVDZSA-N 389.543 5.313 50 40 GKGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1C 3034405 PARGHOMKGBNPDO-WYMPLXKRSA-N 396.874 5.054 50 40 GKGB O=C(N/N=C/c1cc(Br)cs1)c1sc2ccccc2c1Cl 5875710 DUSJEDBSXPGPJO-UBKPWBPPSA-N 399.722 5.143 50 40 GKGB COc1ccc2nc(/C(C#N)=C/c3cccc(OCc4ccccc4F)c3)[nH]c2c1 9263554 SZGNEDBOOFYFMQ-WOJGMQOQSA-N 399.425 5.354 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)[nH]c2c1 59109334 NIOGRURYASOVPO-LFIBNONCSA-N 398.422 5.721 50 40 GKGB CCO[Si](CCCCCCCCCCCOC(C)=O)(OCC)OCC 195778150 WUHZCNHGBOHDKN-UHFFFAOYSA-N 376.610 5.109 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1Cl 409009999 CVKDZZIHQPHBJT-YDRQLGOLSA-N 379.809 6.600 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 858298 OGEJYQFXHLYUDY-GXDHUFHOSA-N 397.261 6.108 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)cc1 107834837 PQUQMTOFJJXCRO-JLPGSUDCSA-N 378.475 6.320 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccccc1 408569285 ZZSBHTVQOCFVRS-QRVIBDJDSA-N 380.447 5.600 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409059818 XOKCTWLIELBIQL-STZFKDTASA-N 398.462 5.085 50 40 GKGB CCCC[C@@H](I)CC(F)(C(F)(F)F)C(F)(F)F 2530923 IJWSNNHYHDWJKB-ZCFIWIBFSA-N 380.085 5.203 50 40 GKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1 33650608 DNRWHGPGRQWCHZ-PGMHBOJBSA-N 376.500 5.808 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C 208194282 IYJIIABDFIBUPG-IZQLPPHKSA-N 387.527 5.517 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408888091 SLCVWMXADAZVOP-ONNFQVAWSA-N 396.617 5.101 50 40 GKGB COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)cc4)o3)oc12 408969109 HLHHCJUUDQRKAN-FSJBWODESA-N 394.814 5.119 50 40 GKGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cccc(F)c1 409394120 VXKKEMOAXRCZLD-UNOMPAQXSA-N 397.409 5.801 50 40 GKGB c1ccc(COCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100337084 SZQONQWHIMVZHN-UHFFFAOYSA-N 397.478 5.197 50 40 GKGB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)C(Cl)Cl)CC[C@]3(C)[C@H]1CC2 118925366 WQWFFYCDRORWHD-KZVLABISSA-N 385.375 6.055 50 40 GKGB COc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1Cl 408718369 USEIFTSZRSSQEH-GXDHUFHOSA-N 375.815 5.549 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1ccccc1Cl 408760714 DRNRWJWSDOQEJL-OWBHPGMISA-N 380.856 5.630 50 40 GKGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1254401 SMJYFXIIVPKRDK-SFQUDFHCSA-N 391.496 5.421 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 1791267 QJRBANWUTCCJRD-CPNJWEJPSA-N 390.826 5.891 50 40 GKGB COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)ccc1Cl 33305896 PSTDEDWTRCTVAE-GDNBJRDFSA-N 398.245 6.104 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccc(Cl)cc1 59515740 AILAFMRWYJHJCO-UHFFFAOYSA-N 377.916 5.055 50 40 GKGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@H](C2)C3)[C@@H]1CC1(c1ccccc1)c1ccccc1 101461852 FALMDOJBGCVECB-RCEAJULQSA-N 398.550 5.311 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)o1 408722399 IEIOUHHLHAEGCN-ZVHZXABRSA-N 399.406 5.080 50 40 GKGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1Cl 409138073 ZQBDKKFOFXALCA-ZROIWOOFSA-N 377.246 5.033 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(C#N)cc3)o2)cc1Br 409373613 XUMOPZHIHLJAPR-ZDLGFXPLSA-N 389.252 5.953 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C)c1 2283829 HITZTJQIYAWCSZ-SFQUDFHCSA-N 399.475 5.510 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccccc4Cl)c3C)[nH]c2c1 50538942 NJGLRTFSGLDOTJ-PDGQHHTCSA-N 386.886 5.996 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 408541283 FQFXHWPDFDGQHU-BKUYFWCQSA-N 385.419 5.037 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2[nH]1 408599012 NPXQZMWODBZDER-SAPNQHFASA-N 385.492 6.162 50 40 GKGB Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(Cl)cc1 408691816 RSZSRKJTFISMEW-PDGQHHTCSA-N 386.886 5.704 50 40 GKGB Cc1cc(C)cc(CSCC(=O)NN=C2CCCCCCCCCCC2)c1 408778298 SEFSKTUQUWVZAW-UHFFFAOYSA-N 388.621 6.314 50 40 GKGB Cc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)c1C 409118229 PGVFQKCOGRCQMT-LSFURLLWSA-N 395.355 5.302 50 40 GKGB Cc1c(C(=O)[C@@H](Br)CBr)cccc1-c1ccccc1 575358408 MIKKLFJAKXHLPX-HNNXBMFYSA-N 382.095 5.003 50 40 GKGB O=C(N/N=C1\CCc2ccccc21)c1cc(-c2cccs2)nc2ccccc12 4863580 HSAIWWBXNPJPTM-LKUDQCMESA-N 383.476 5.044 50 40 GKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 5379920 HRPNTONQANXRQM-YZSQISJMSA-N 386.495 5.327 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)cc1 6355320 SCMRBRWXPAWNGP-NTCAYCPXSA-N 381.888 5.839 50 40 GKGB CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc12 6961909 JCZOPCDXBUNILQ-YDZHTSKRSA-N 398.915 5.134 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1F 33525590 ULFZJLFGLAPTPL-JWGURIENSA-N 379.434 6.622 50 40 GKGB C/C=C/[C@H]([C@@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1 98175071 TXTZOAHOWWVHSJ-SHDOXPKCSA-N 398.527 6.057 50 40 GKGB CCOc1cc(Cl)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC 408551251 MSAXXKGMEJCMIG-NDENLUEZSA-N 377.871 6.355 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1 408811802 AOWIZFBZOKEJRR-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB CC(=O)c1ccccc1/N=N/c1ccc(N(CCCl)CCCl)cc1C 4773900 XJKKJVZBTPIMEC-GHVJWSGMSA-N 378.303 5.897 50 40 GKGB N#C/C(=C/c1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 4807688 UEMJDYPXOOMPPZ-GHXNOFRVSA-N 375.255 6.320 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3Br)n2)cc1 6406198 YOKDOXSEXUTDHT-XNTDXEJSSA-N 397.297 5.645 50 40 GKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C 12445289 VBCPHHHVBGSFFH-UYRXBGFRSA-N 389.886 5.602 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3)n2)cc1 17185922 XIXWZCZYJMPSIV-UYRXBGFRSA-N 378.928 6.870 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408780916 NEJJSLKVBCOQEV-ZHZULCJRSA-N 387.458 5.341 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(C)C 408802810 HRILHXQQSXILJW-LICLKQGHSA-N 398.890 5.380 50 40 GKGB CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1 1773142 HNBGNQHCYQCVGY-NBVRZTHBSA-N 396.874 5.233 50 40 GKGB O=C(c1ccccc1)[C@@H](Cl)C(c1ccccc1)[C@H](Cl)C(=O)c1ccccc1 2311414 WPPWJZVIVJPWCN-SFTDATJTSA-N 397.301 5.751 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1 2807421 PYXBLMBAUZFWOP-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)c1nc2ccccc2s1 4985033 BXLOOTHYRIKZSA-YRNVUSSQSA-N 394.349 5.563 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccccc1C#N 6170156 HUDWMFXSOAHZMX-NDENLUEZSA-N 384.410 5.349 50 40 GKGB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC=CC[C@@]43C)[C@H]1CC/C2=N\NC(=O)c1ccncc1 12655902 NJHIQSIODLRTDP-AOVYLLMZSA-N 391.559 5.376 50 40 GKGB C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 13659840 RXQIRVYJGSENAZ-YUMHPJSZSA-N 383.426 5.195 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc(F)cc4)c3)[nH]c2cc1C 408545145 ZBLAJEJAGTZRKR-UDWIEESQSA-N 397.453 5.962 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)c1nc2ccc(F)cc2[nH]1 408567971 HEYYXEQTLZRZJN-BOPFTXTBSA-N 387.389 5.484 50 40 GKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c(C)c1 408567996 HOCBOLZCESUCHJ-JAIQZWGSSA-N 398.485 6.099 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 408980087 UOCKXKXTBXQZCX-MDWZMJQESA-N 386.238 5.314 50 40 GKGB CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)c3ccccc3n2)cc1 1003419 GHKKOJQZQGRYIA-WPWMEQJKSA-N 394.478 5.013 50 40 GKGB N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 4824409 DHULSCFUJKLCFO-LUAWRHEFSA-N 390.270 6.233 50 40 GKGB N#C/C(=C\c1ccc(O)c(Br)c1)c1nc(-c2ccccc2)cs1 6344790 XWVMBTCFYRLEPM-RIYZIHGNSA-N 383.270 5.342 50 40 GKGB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(\C#N)c2nc(C)cs2)cs1 8207518 OTZXLYJHVMRHAL-LZYBPNLTSA-N 394.525 5.274 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 13123905 VJELSLCNUJWFLT-WQRHYEAKSA-N 387.395 5.163 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1F)[C@@H](C)CC(C)(C)N2C(C)C 223590575 QQRVHDQULVXYTC-HSOLMKNUSA-N 395.522 5.399 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br 408801900 WQEXLIJEOYTORJ-LFIBNONCSA-N 399.288 5.092 50 40 GKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1 2759667 VPIUTKZNEQBYRB-JVWAILMASA-N 394.478 5.184 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3)c3ccccc3n2)cc1 2759855 CUAGQIIRKZWDSZ-CVKSISIWSA-N 399.881 5.628 50 40 GKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1 3286737 GRCYRJOWIFIGBP-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB C(=C/c1ccccc1)\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104134330 FCSZSFWEBDTZLL-DTQAZKPQSA-N 380.471 5.426 50 40 GKGB 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)CCl)CC[C@@H]32)C1 118925970 BJNBUJBEHXHJHF-PGFPPNSYSA-N 394.983 5.385 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2c(C)cccc2C)c1C 408743591 GYRQPSSHEHIXHX-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1C(C)C 408844445 IZRPEMULDUXMFX-LPYMAVHISA-N 398.506 6.216 50 40 GKGB CC(C)(C)OC(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 33743394 LYURZNUNGGTURF-BUVRLJJBSA-N 376.456 5.277 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 33870113 XVBRDCDGXUJRGU-JCMHNJIXSA-N 398.506 6.154 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 408738392 WOCRSWJDIPEVBN-PDGQHHTCSA-N 395.275 6.060 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1cc(C)cc(C)c1 408875025 HQXXNTGXGHYHFE-OEAKJJBVSA-N 396.490 5.449 50 40 GKGB O=C(NN=C1CCCCCCC1)c1ccc(CSCc2ccccc2)cc1 408884645 VFBWWNAGJXPZJB-UHFFFAOYSA-N 380.557 5.950 50 40 GKGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 408959839 GRTNKIDIZRTVOI-AQTBWJFISA-N 379.891 5.103 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 409364593 XYPCZWBYAJFAOZ-FSJBWODESA-N 387.266 5.255 50 40 GKGB CC/C(=C(/c1ccccc1)c1ccc(OCCCl)cc1)c1ccc(O)cc1 504431669 ZUNVZRJXMBKELL-WCWDXBQESA-N 378.899 6.379 50 40 GKGB in-vitro CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1 59297094 DHINCGQMKNGLAR-LTGZKZEYSA-N 398.462 5.210 50 40 GKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc2ccccc12 59334782 VBPOKAANNZOJPB-KQWNVCNZSA-N 396.490 5.142 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC 408579861 KSMPJRZBYJURIQ-NTUHNPAUSA-N 396.701 6.508 50 40 GKGB COc1c(Br)cc(/C=C(\C#N)c2ccccc2)cc1Br 409056683 NIBVGACJMAKIBW-NTUHNPAUSA-N 393.078 5.284 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409244897 KELJPNFNJNGNIJ-VQCBNXJZSA-N 388.389 5.428 50 40 GKGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 664121 PSFMKCCMOHPKKK-LJQANCHMSA-N 388.298 5.058 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 1188505 KVYVWKSDSZVNET-STZFKDTASA-N 399.494 5.265 50 40 GKGB N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2ccc(Cl)cc2)cs1 1248337 WWLUGVFGGYPWGD-FOWTUZBSSA-N 388.883 5.988 50 40 GKGB Cc1c(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc2n1Cc1ccccc1 1461667 OBTHJPNZGLDDAZ-LTGZKZEYSA-N 397.522 5.354 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)c1 260572658 XPIZIVTXUZSPBO-BDBXIWDTSA-N 387.527 5.571 50 40 GKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1 408538687 BPLGZGHQQSRKRG-MYYYXRDXSA-N 392.421 5.428 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc2ncccc2c1 408543746 STBVIBGIOPNVET-XKZIYDEJSA-N 393.446 5.405 50 40 GKGB CCOc1cc(C)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1C(C)C 409244746 ICZXQOPPEDYLDX-JCMHNJIXSA-N 390.527 5.173 50 40 GKGB Cc1cc(SSc2cc(C)c(Cl)cc2Cl)c(Cl)cc1Cl 2168785 PJXJVCCMXWQPIM-UHFFFAOYSA-N 384.180 7.716 50 40 GKGB Cc1cc(C)c(/N=C/c2ccc3c(c2)[C@H](c2ccccc2)C(C#N)=C(N)O3)c(C)c1 2294961 APADYKBPUWQVBA-HQYUJTHISA-N 393.490 5.581 50 40 GKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)cc1 2767789 YBSDXVLSAAXHAU-JVWAILMASA-N 394.478 5.184 50 40 GKGB C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 4505016 RXIKSWCXUIEGBY-XAFZIYAZSA-N 388.555 5.507 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 5751652 ZFGFUQHRVOZLOT-DHDCSXOGSA-N 387.266 5.412 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408532082 NLUCAJRLHYKWIA-GHRIWEEISA-N 398.890 5.463 50 40 GKGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408827708 LVXYFXCIPNAXEI-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)c2ccc(Br)cc2)cc1C(C)C 408854295 BUFKVNRDGZQRTD-WOJGMQOQSA-N 384.317 6.344 50 40 GKGB N#C/C(=C\Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 6884585 GESLFWAOVOWGIS-PKNBQFBNSA-N 390.270 6.233 50 40 GKGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1c(Cl)cccc1Cl 28496256 RIWMSNCQKAYNOT-DHZHZOJOSA-N 396.071 5.302 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)cc1 33745407 MZKYMNBEUCGECO-UQTDQPHJSA-N 392.458 5.601 50 40 GKGB N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)c1nc2ccc(F)cc2[nH]1 408569909 QXRPVLCICYKBMP-LGMDPLHJSA-N 382.442 5.520 50 40 GKGB Cc1ccccc1Cn1cc(/C=C(\C#N)c2cccc(Cl)c2)c2ccccc21 408598838 KGMCLWXRYUTHOG-FYJGNVAPSA-N 382.894 6.716 50 40 GKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(OC)ccc3ccccc23)cc1 408784678 WGRWYIBEFCCFNA-MNDPQUGUSA-N 399.494 5.240 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408941820 KMDIGIIQGVEYCO-WOJGMQOQSA-N 376.843 5.510 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccccc1 409071994 TYOBXZYAJYGNKV-LFVJCYFKSA-N 381.475 6.067 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1 822688 OZJQXCDZJMHXLE-JLHYYAGUSA-N 383.234 5.799 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 948747 IPDBMTUJSKVQEP-RCCKNPSSSA-N 396.446 5.068 50 40 GKGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 33686639 PKWSWTCDJJUGEI-SXGWCWSVSA-N 389.282 5.004 50 40 GKGB CC(C)N(C(=O)C12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)Cl)(C3)C2)C(C)C 102130159 BVDVNYDKDKVENS-CBHXASLJSA-N 380.296 5.642 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 108004280 HAAGZALUCIORCS-FBKCMUNRSA-N 384.863 5.072 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Br)s1 408981776 BSOGNEINYBJUQE-YFHOEESVSA-N 381.682 5.018 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCCc1ccccc1 409233113 QLZNMLHQNQIUME-CYVLTUHYSA-N 390.870 5.256 50 40 GKGB N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2cccc3ccccc23)cs1 2200405 GIXONXXZLOTSJD-NTCAYCPXSA-N 389.430 6.218 50 40 GKGB Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)c(C)c1 5490482 LNIOVFQCDUZVFX-OAQYLSRUSA-N 392.462 5.065 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1 5509158 NWHIJEHDTGBDBG-ZVHZXABRSA-N 387.464 5.051 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)ccc3OC)n2)cc1 6356343 XGLJYLWRHHALFW-WQRHYEAKSA-N 376.481 5.454 50 40 GKGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(C(C)C)cc1 13324327 OOEIJLOSVKMZFL-JVTACVGZSA-N 376.544 5.751 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2)cc1 98001599 POILAZBYBPPLEM-LKUDQCMESA-N 380.532 5.970 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21 208192502 OQAIHIXHDURAIG-QJISPJEISA-N 377.463 5.093 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc(C#N)c1 408566506 HBTJWLJRMGTLCR-FYJGNVAPSA-N 393.877 6.279 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2c3ccccc3cc3ccccc23)c1 408741555 MSNOCDAMKPMHIZ-HMMYKYKNSA-N 392.458 5.937 50 40 GKGB CCn1c2ccccc2c2cc(/C=C/C3=CC(=C(C#N)C#N)CC(C)(C)C3)ccc21 685944586 OSDDLRMGYGTERV-MDZDMXLPSA-N 391.518 6.918 50 40 GKGB N#CC(C#N)=Cc1[nH]c2ccccc2c1N(C(=O)CCl)c1ccc(Cl)cc1 978318 VQJKDMBGHKAKSW-UHFFFAOYSA-N 395.249 5.155 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 1977584 NKQYFNBIXVYYGM-DEDYPNTBSA-N 386.407 5.247 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2758905 PFASWDPJKCUPBK-BCEARJSMSA-N 389.326 5.545 50 40 GKGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 4505048 WCBKDJSLNGGLKC-PTTNDGICSA-N 386.539 5.849 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NC1CCCCC1 6220121 WIAHGHIXIXIGHY-JLHYYAGUSA-N 389.282 5.609 50 40 GKGB N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1cccc(Cl)c1Cl 8972464 OZAINPBDHDAHCK-AWEZNQCLSA-N 389.307 5.265 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(F)cc1 18173410 DEDIUWGQUSYVHU-QGOAFFKASA-N 390.389 5.089 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1cccc(C#N)c1 408566657 IGCFJNFGCVASHO-XYGWBWBKSA-N 386.454 6.355 50 40 GKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C 408741733 KVGAVOKVBBUXPQ-UNOMPAQXSA-N 389.886 5.602 50 40 GKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1Cl 408773194 HHPLOKSEYQCVJY-MOSHPQCFSA-N 394.902 5.079 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCC 408790262 OMQDJXLRHYGHFF-GZTJUZNOSA-N 398.890 5.245 50 40 GKGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408795435 LDIWUCXNKYQOIQ-RIYZIHGNSA-N 375.255 5.246 50 40 GKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 408994060 FKPMKUOOAXAAGG-FMCGGJTJSA-N 386.282 5.165 50 40 GKGB COc1cccc(/C=C(\C#N)c2ccccc2)c1OCc1ccc(C(=O)O)cc1 409190610 SVKPZJZXRMWWQW-KGENOOAVSA-N 385.419 5.037 50 40 GKGB N#CC1=C(N)OC2=C(CC/C2=C\c2ccccc2Cl)[C@H]1c1ccccc1Cl 705837 PHVJIUXRWPYOJS-RDPWEWGOSA-N 395.289 5.933 50 40 GKGB aggregator Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)s1 4147578 RXDRLSZAGGLZLO-DEDYPNTBSA-N 390.577 7.292 50 40 GKGB N#C/C(=C\c1cccs1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 4149631 TVTCFVVTVSCBQF-FOWTUZBSSA-N 375.884 5.864 50 40 GKGB Cc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 4313658 OEFQIOHUMCAPEJ-OQLLNIDSSA-N 381.844 5.744 50 40 GKGB Cc1cc(C(=O)NN=C2CCC(C(C)(C)C)CC2)c(C)n1-c1ccc(F)cc1 5692423 VHDDRNJBAHQRJJ-UHFFFAOYSA-N 383.511 5.555 50 40 GKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1sc2ccccc2c1Cl 5739655 HOPLIMWRTJDHLW-DNTJNYDQSA-N 383.687 5.625 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1cccc2ccccc12 59193959 ATGIUJGFAPAGOC-KGENOOAVSA-N 399.490 5.950 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 96487953 NQPVSCZVVLBXGM-PGMHBOJBSA-N 397.522 5.937 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 408580793 RSLVJRZUAODFAR-WOJGMQOQSA-N 398.264 6.776 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)Cn1cnc2ccccc21 408691510 BFYXPUKPLZFVBK-UNOMPAQXSA-N 399.881 5.876 50 40 GKGB Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCCCCCC3)cc2)n1 6684431 QQPOSGQOSKORGK-UHFFFAOYSA-N 396.560 5.216 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)c1 59427021 IWPYNTHPDBKWRK-JVWAILMASA-N 395.506 5.628 50 40 GKGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2c1 408791398 XCBHJLGHKLTMDY-RVDMUPIBSA-N 392.842 5.056 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1C 408818902 YRWVFGPBAMDBGT-UDIPQKBFSA-N 397.522 5.495 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1F 409095521 HYQZWKBDWCETNA-YDZHTSKRSA-N 384.863 5.394 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 409096664 KVFDKFLXRPEIOR-YDZHTSKRSA-N 384.863 5.394 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 1514413 GVTZBNPQDHRVLF-FOWTUZBSSA-N 392.842 5.544 50 40 GKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2ccccn2)cc1 5068271 NSPGBOZRQAOTAP-XDJHFCHBSA-N 378.435 5.007 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c1 5953786 PNGYVLZBILXGCQ-FOWTUZBSSA-N 392.842 5.544 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 10130536 IWGIFDNTMSNGAC-DISPHTKASA-N 398.890 5.380 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCCCC1 39404225 FBZLDECCCGIICD-JLHYYAGUSA-N 375.255 5.173 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc21 208475110 ZRAHDJMXAYPORR-YVLHZVERSA-N 391.902 5.517 50 40 GKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)c1 408771414 HXUDFRIKXMLIGW-ZSOIEALJSA-N 375.255 5.326 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1 408818373 VIJMNBXHFUOWHP-JPOGYNCRSA-N 387.458 5.018 50 40 GKGB CC(=O)c1cccc(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 4148683 QGLVASGFKVESEA-STZFKDTASA-N 395.487 6.142 50 40 GKGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]2Br 100848774 HTXXGYQXUWLLDZ-DAXOMENPSA-N 390.243 5.234 50 40 GKGB CCCCCCCCCCCCCCCC[N+](C)(C)CCBr 104201386 QRCWBQVEMGTZQN-UHFFFAOYSA-N 377.475 6.939 50 40 GKGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408922879 HHGBGNKXMYOAQS-BJMVGYQFSA-N 396.617 5.101 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 409045583 ZLHNQCSQSQJCHF-KPKJPENVSA-N 379.218 5.077 50 40 GKGB Cc1cccc2cc([C@@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)c(Cl)nc12 650439 QPFOVPDOWBRUTB-HXUWFJFHSA-N 397.865 5.568 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cccc(Br)c2)cc1 2758035 VQHKECBRQISIAS-VKCZAOEGSA-N 399.332 5.000 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 13810424 NVHFQZFKEFERRV-SFQUDFHCSA-N 393.849 5.432 50 40 GKGB C/C(=N/NC(=O)COc1ccccc1-c1ccccc1)c1cccc2ccccc12 33670298 LVSPOEGIBUCEJA-DIBXZPPDSA-N 394.474 5.426 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(F)cc4)c3C)[nH]c2c1 409393203 VOSJGAUZZZYUER-BOPFTXTBSA-N 386.430 5.182 50 40 GKGB CCCCCCCc1ccc(C(=O)[C@@H](Br)CBr)cc1 575357603 SWOSLDOOOHITDV-HNNXBMFYSA-N 390.159 5.541 50 40 GKGB N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4175228 ZOMXSNIIUUURHF-JLHYYAGUSA-N 382.832 5.348 50 40 GKGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 5721165 XBSVUGHCYHASQR-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB N#C/C(=C\c1ccc(O)cc1)c1nc(C(c2ccccc2)c2ccccc2)no1 8239235 IPXGYHAKKQTTRO-HMMYKYKNSA-N 379.419 5.020 50 40 GKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 20197401 XKAUKGMUYZVHMU-OEAKJJBVSA-N 382.847 5.153 50 40 GKGB CC[C@H](C)n1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c2ccccc21 101684426 LNPVYPORQLMGPK-VAODSVERSA-N 393.494 5.621 50 40 GKGB N#C[C@@H](C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1 409204963 DRHVLCDUKDRBLQ-UPVZUOOXSA-N 398.249 5.011 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C(C)C 409245841 ZSLYZESOUUCTQC-SXGWCWSVSA-N 375.394 5.250 50 40 GKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1 3263057 XGGKJOHZCOMMFL-HEHNFIMWSA-N 390.442 6.178 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2)cc1 4604740 FCIHMSAIVJTKHL-XSFVSMFZSA-N 382.488 6.248 50 40 GKGB N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 13765480 LDPFWRKVDONSNR-GHRIWEEISA-N 398.447 5.848 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCCCC1 26964617 FBZLDECCCGIICD-RAXLEYEMSA-N 375.255 5.173 50 40 GKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OC(C)C 33668748 YFUSHTUYQSRMOT-NVNXTCNLSA-N 381.863 5.385 50 40 GKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 100114133 NJHWGVUDIQDQAE-WJDWOHSUSA-N 376.441 5.312 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 100224825 SYQHCBATGVPGPV-UHFFFAOYSA-N 399.487 6.334 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc21 223481052 FNVBFYDTCLLXFW-BKUYFWCQSA-N 399.538 5.951 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1cccc(C)c1 408540755 BNUJXNHKSAQKBT-XKZIYDEJSA-N 399.446 5.345 50 40 GKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc2c(c1)OCO2 409365916 SIMWCHFPJPRHPO-ODLFYWEKSA-N 396.421 5.622 50 40 GKGB O=P1([C@H](c2ccccc2)[C@@H](O)c2ccccc2)c2ccccc2-c2ccccc21 2127179 TVRDSJXTQUVKCV-IZZNHLLZSA-N 396.426 5.456 50 40 GKGB Cn1nc(-c2ccccc2)c(CCl)c1Sc1c(Cl)cccc1Cl 3135133 KSFBXAZVAINPHD-UHFFFAOYSA-N 383.731 6.284 50 40 GKGB N#C/C(=C/c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 4155061 PKIHLEYFLKENGG-GHXNOFRVSA-N 375.255 6.320 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=C/C#N 118919252 JYIVYQUKEVPWQK-QONXFPEVSA-N 395.587 6.311 50 40 GKGB Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cn1 197761052 ABZYVRKTYBLVNT-UHFFFAOYSA-N 388.858 5.229 50 40 GKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 408761037 GTKHUWMILORMPP-VBKFSLOCSA-N 390.826 5.348 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(C)C 408985467 MFKJLPOFCDDHAQ-UDWIEESQSA-N 392.499 5.283 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)cc1 2231668 CVYDRYBSEANOEO-FOWTUZBSSA-N 397.450 5.950 50 40 GKGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(F)cc1 4474193 HBQAPBAGCNSAQX-YVNNLAQVSA-N 377.202 5.156 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)cc1 4748741 FZKBYMNIXMVZQZ-AFUMVMLFSA-N 387.870 5.107 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C/c2ccccc2Cl)nc1-c1ccc(C)cc1 4899376 HOFVDVZHDZISKE-GZTJUZNOSA-N 393.899 5.795 50 40 GKGB CC/C(=N/NC(=O)[C@@H](CC)Sc1nc2ccccc2s1)c1ccccc1 5954014 GSRKZWPPKBOZEB-JVDNRXPZSA-N 383.542 5.098 50 40 GKGB CC(C)c1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(C(C)C)c1O 408676699 MKURLKKSZKMPKW-MFKUBSTISA-N 393.531 5.003 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1C 408959603 BTZKKNKBBPTTPM-HAHDFKILSA-N 397.522 5.819 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c3ccccc3cc3ccccc23)cc1Cl 408988450 QWUNQUDUFRSBOE-UYRXBGFRSA-N 396.877 6.501 50 40 GKGB CCN(CC)[P@@](=O)(C(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3122356 IZKFTCOXTFPSGG-HXUWFJFHSA-N 377.079 5.742 50 40 GKGB C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1c(Cl)cccc1Cl 3175120 OELQHWZCJPDNMC-ZXCVBSDHSA-N 387.266 5.064 50 40 GKGB CC(C)(C)OOC(C)(C)C#C[C@@H](O)/C=C(/Cl)C12CC3CC(CC(C3)C1)C2 106840068 NFERKIKIABXLMA-LRJKHHBLSA-N 380.956 5.215 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc21 223475695 KMONYMSTQQXFHR-AFUMVMLFSA-N 395.934 5.514 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)NC3CCCCC3)cc2[C@@H](C)CC1(C)C 223581742 PQCAGLMZLFMZAP-YNGKYYQNSA-N 393.575 5.463 50 40 GKGB CCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408733058 VKGSDLYOPZXWJW-DIBXZPPDSA-N 393.490 5.671 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 408792170 IZPHUVCDDFJTHZ-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB Cc1ccc(COc2ccccc2/C=N\NC(=O)c2cc3ccccc3o2)cc1 408858954 UWBSDEOZNGPABD-MYYYXRDXSA-N 384.435 5.084 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)cc1 408874846 BLVCRPBQVKWSTM-PXLXIMEGSA-N 384.454 5.525 50 40 GKGB O=[N+]([O-])c1ccc(S[C@H]2CCCCCC[C@H]2Br)c([N+](=O)[O-])c1 1638421 YVKZGGMTGLRVBA-YPMHNXCESA-N 389.271 5.081 50 40 GKGB CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)[C@H]2c1ccc(F)c(F)c1 2319542 ASEGUULFQUVZGF-NRFANRHFSA-N 384.426 5.011 50 40 GKGB CC(C)(C)[C@@H]1CC=C2[C@@H](C1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 33936239 NFXZDTCVCVBRRP-VFVRVIDISA-N 396.947 5.267 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cccs1 58871421 MHCPGDURMZDWGV-BUVRLJJBSA-N 386.476 5.244 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3c(C)cc(C)cc3C)n2)cc1 98085928 KOTHFYLRTJQUSY-LDADJPATSA-N 375.497 5.721 50 40 GKGB C/C=C/[C@H]([C@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1 98175072 TXTZOAHOWWVHSJ-KBHLLYDUSA-N 398.527 6.057 50 40 GKGB CCO[Si](CCCCCCCCCCCOCOC)(OCC)OCC 198004542 UIRAIGSAMZLTKX-UHFFFAOYSA-N 378.626 5.166 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1 408530747 MPKPXGUUICDFDN-MOSHPQCFSA-N 390.280 6.092 50 40 GKGB Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4263948 DOPQPVGARDQZQL-GXDHUFHOSA-N 396.859 5.657 50 40 GKGB CCCOc1cc(N(CC)CC)ccc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1 5385648 JUMIAJFEKXTUFO-XMHGGMMESA-N 388.515 5.571 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OC 8109846 FKJXQAATQOTBBC-YBEGLDIGSA-N 394.268 5.684 50 40 GKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)cc1 30817664 RQKLCCAYCWSZHG-CFRMEGHHSA-N 399.277 5.336 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(OC)cc1 408534191 TZIOQUHEZXLZDH-VBKFSLOCSA-N 384.863 5.073 50 40 GKGB CC(C)Oc1ccc(/C=C(/C#N)Sc2nc3ccccc3[nH]2)c(OC(C)C)c1 408598720 JHQRGACESJHITM-WQRHYEAKSA-N 393.512 5.794 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c1 408787872 HDJUMZBWPKWYLN-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408802278 YUUUBAVGEMSQBK-HMMYKYKNSA-N 380.447 5.014 50 40 GKGB CC(C)(C)c1ccc2c(c1)C(CCBr)c1cc(C(C)(C)C)ccc1-2 1570009181 DYGULAUGOLRJGM-UHFFFAOYSA-N 385.389 7.179 50 40 GKGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N(c1ccccc1)c1ccccc1 3178854 AOWKLMDTXRTYCI-OBGWFSINSA-N 390.389 5.560 50 40 GKGB CCc1ccc2cc(-c3ccccc3)c(/C=C(\C#N)c3nc4ccccc4[nH]3)n2c1 5615712 VGZPIHYJQADDED-XSFVSMFZSA-N 388.474 6.109 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 5745940 ATRHJZROGOKARE-SDNWHVSQSA-N 397.261 6.108 50 40 GKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc2ccccc2c1 16157353 PKJVUTBPWPBELR-QJOMJCCJSA-N 398.465 6.692 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccc(Cl)cc3)[nH]c2c1 50538938 LTKANIANJZHLJK-UYRXBGFRSA-N 399.881 6.168 50 40 GKGB Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1C 104094119 XLWNGIVULMOSCM-UHFFFAOYSA-N 382.487 5.530 50 40 GKGB O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1 226340741 IXAGCJBHJKUXRM-VOTSOKGWSA-N 386.072 5.460 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(Cl)c(Cl)c1 408585480 FPAYCGNWPCNMMW-LCYFTJDESA-N 384.218 6.016 50 40 GKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC 408984389 QJGZBJYOBCKOJM-PDGQHHTCSA-N 380.875 5.321 50 40 GKGB CCN1/C(=C/C=C(C#N)C#N)N(c2ccccc2)c2cc(Cl)c(Cl)cc21 685944575 NWEFGTUUJQCUBO-UKWGHVSLSA-N 381.266 5.786 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3OC)n2)cc1 4175297 HKKFWAQJVVURBF-SDNWHVSQSA-N 397.887 5.457 50 40 GKGB N#C/C(=C\c1cccc(C#N)c1)c1nc(C(c2ccccc2)c2ccccc2)no1 12971671 PIUTUSLGHXYDKW-PXLXIMEGSA-N 388.430 5.186 50 40 GKGB N#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 13786359 ABOWILHEYHYDIN-STZFKDTASA-N 380.472 6.247 50 40 GKGB CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1 17113509 QNGYMJIAMUPRGR-QGOAFFKASA-N 389.480 5.352 50 40 GKGB N#C[C@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 409206866 MNELXDABKVYUNM-KZKMUKRCSA-N 398.249 5.011 50 40 GKGB CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)ccc1Cl 409359717 BTKKUOYGQSSHBG-ATVHPVEESA-N 377.827 5.841 50 40 GKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2cccc(F)c2)[C@H]1c1cccc(F)c1 989240 QPGNCYVEKXRXQZ-IGEMGIOYSA-N 376.406 5.294 50 40 GKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccco3)c3ccccc3n2)cc1 2759450 IBHNTIGHQAZJCD-MFKUBSTISA-N 383.451 5.382 50 40 GKGB O=C(N/N=C/c1ccc[nH]1)c1ccc(COc2ccccc2-c2ccccc2)cc1 3307576 DKGDMGFGBMPNFQ-WPWMEQJKSA-N 395.462 5.025 50 40 GKGB C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(C)cc1C 4373010 SKXMPYYVENNTCF-QNJFXAKOSA-N 382.507 5.150 50 40 GKGB O=C(N/N=C\c1ccc(Cl)cc1Cl)C1c2ccccc2Oc2ccccc21 4679532 MNMHNHUXABMINP-MSXFZWOLSA-N 397.261 5.381 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1ccccc1Cl 4680797 VQORMSWHWXHUCU-GZTJUZNOSA-N 383.875 5.450 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2[nH]1 4815873 ALNOMRJSGIJVPL-QGOAFFKASA-N 385.854 5.859 50 40 GKGB CCOC(=O)/C(C#N)=C/C=C(\Nc1ccc(C)c(C)c1)c1ccc(Cl)cc1 16682009 OFNDKNQQIWNPDJ-KLOCBJTKSA-N 380.875 5.423 50 40 GKGB O=[N+]([O-])c1ccc(S(F)(F)(F)(F)F)cc1/C=C/c1ccc(Cl)cc1 97950180 YALIWCLVCQJNTF-DAFODLJHSA-N 385.741 7.076 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\Nc3ccccc3C(C)C)n2)c1 100839876 UUCXLZVKWSLGDK-LGMDPLHJSA-N 375.497 5.919 50 40 GKGB CCCCCCCCCCCCc1ccc(-c2ccc(SC#N)cc2)cc1 169808338 AZDILMPKVOHFSR-UHFFFAOYSA-N 379.613 8.390 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)CCc3ccccc3)cc21 208247892 UNXOHWGUWINPBO-MKCIMWKDSA-N 397.950 5.145 50 40 GKGB CCCCCCOc1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1 408887560 RQVZFYWDMVGJBO-NCELDCMTSA-N 389.499 5.200 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 409008279 VAEJMIWQNOOKHN-SILNSSARSA-N 384.479 5.873 50 40 GKGB O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1 6276806 RBIAFDJVTHGIAN-NHFJDJAPSA-N 391.474 5.920 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2[nH]1 408598924 LFDJVGZAMLGKBP-GHRIWEEISA-N 385.492 6.160 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2Cl)c1 408743760 XZMQAUZXJYUURK-SDQBBNPISA-N 395.673 5.591 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408809527 OFLVRIVDELNJDE-SAPNQHFASA-N 386.838 5.051 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(Cl)cc1Cl 409389491 BLGJSRFGNYHJCZ-MFOYZWKCSA-N 385.269 6.604 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/N=N/c1ccccc1C(=O)O 4366953 JRQFCUCILBFUNR-QURGRASLSA-N 380.275 5.393 50 40 GKGB in-vitro Cc1cc(C)nc(S[C@H](C)C(=O)NN=C2CCCCCCCCCCC2)n1 4480362 ZWRPGKHZXCZHFX-GOSISDBHSA-N 390.597 5.351 50 40 GKGB BrCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 4897330 NLFQSUHOYMIIQI-UHFFFAOYSA-N 380.329 5.353 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 6357649 KEUAQLUAUJWWMU-KHAFMBKQSA-N 386.835 5.498 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3Cl)n2)cc1 8664509 IBFLHAFSTDGILF-NTEUORMPSA-N 387.291 6.190 50 40 GKGB O=C(N/N=C1/C[C@H]2CC=C[C@@H]12)c1ccc(CSc2ccc(Cl)cc2)cc1 35418419 WRSMDMRLTBGRTP-XZFPPTPQSA-N 382.916 5.314 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC 107732919 HBDKEDMUWISKOL-RGEXLXHISA-N 378.472 5.118 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC 169950217 WQJSKAURPSDOLQ-UYRXBGFRSA-N 389.499 5.822 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc21 208452716 DDRAXQIZBMJQEX-MTJSOVHGSA-N 399.538 5.789 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2[C@@H](C)CC1(C)C 223557803 ZPIPNIPWFSVROE-LSPINASFSA-N 384.527 6.128 50 40 GKGB Cc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1 409017065 DYEDFQBRIUZQAW-OYKKKHCWSA-N 395.890 5.149 50 40 GKGB COc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409105081 GDRHQVQOCUCFSK-OEAKJJBVSA-N 396.899 5.264 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2[C@H]1C1CCCCC1 646926 ZJETZTPPSSUMNS-NRFANRHFSA-N 396.494 5.494 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4s3)o2)cc1Cl 5942650 VOUSODJMTUIBSL-XNTDXEJSSA-N 376.868 6.582 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OC(C)C)c(Cl)c1 100389382 GKDDFKKGKDUZBR-CHHVJCJISA-N 390.874 5.136 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2[C@H](C)CC1(C)C 208306676 VGVRULZFIWEKEM-MCRQTXEHSA-N 379.548 5.155 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)c1cccc(Cl)c1 408599217 QCIJZSZMYWWSQH-CIAFOILYSA-N 393.877 6.279 50 40 GKGB CC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1 408733178 WOHYYQSCNWMWCL-IMRQLAEWSA-N 393.490 5.590 50 40 GKGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3ccc(Cl)cc3)c2c1 408783526 MPGFLIJMNZJPNZ-AQTBWJFISA-N 377.871 6.355 50 40 GKGB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 5229574 CJNJHKBTPJRTIN-XSFVSMFZSA-N 390.527 5.317 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 33347179 NKQYFNBIXVYYGM-MOSHPQCFSA-N 386.407 5.247 50 40 GKGB O=C(c1ccc(Cl)c(Cl)c1)C(Cl)C(=O)c1ccc(Cl)c(Cl)c1 100784199 YNTMWIMPFGTEAZ-UHFFFAOYSA-N 396.484 5.973 50 40 GKGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408774582 WNCHDUIGSXHMFS-SXGWCWSVSA-N 389.282 5.004 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)cc1C 408803692 SEMGKJSTNZKSQV-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)OC1CCCCC1 863331 KXQLDBAPOQLXHG-NTCAYCPXSA-N 389.373 5.748 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc2ccccc12 2776506 PWQUGVMKNDIOQX-NBVRZTHBSA-N 398.849 6.299 50 40 GKGB CC(C)CCOc1ccc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 3389155 XBAJDDANAIGWJD-YQCVNYCESA-N 384.545 5.062 50 40 GKGB CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc12 6155592 VBSIMGASQQRLND-WGOQTCKBSA-N 398.462 5.164 50 40 GKGB COc1ccc(C(=O)/C(C#N)=C/c2csc(-c3ccc(Cl)cc3)n2)cc1 7714654 NDUHKPLTKLELTK-XNTDXEJSSA-N 380.856 5.262 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1 33339651 NHRRBYCEEOMEMG-CYVLTUHYSA-N 384.435 5.423 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c1C 59133462 BHPXZVVKLPFFGL-SFQUDFHCSA-N 376.843 5.763 50 40 GKGB CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226327472 XCICRTVYQOPJPA-UHFFFAOYSA-N 394.081 6.004 50 40 GKGB CCCCCCOc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1 408539948 KVCNOJRXLVHIEQ-MYYYXRDXSA-N 392.421 5.428 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1C 408804942 HNJNWWJJXVCGNT-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc2ccccc2n1 4616825 GFAZIFURKMFMGH-WGOQTCKBSA-N 375.431 5.305 50 40 GKGB Cc1ccccc1Cn1cc(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 14134450 ZGOAEDBYYDNHHM-WPWMEQJKSA-N 395.506 5.081 50 40 GKGB CCC[C@H](Br)C(=O)Nc1nc2c(CC)cc(Cl)cc2s1 20132653 CMVHMKBZILGYEI-JTQLQIEISA-N 375.719 5.014 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4c(C)cccc4C)c3C)[nH]c2c1 409392364 PICHMFYDKDNHGJ-NDENLUEZSA-N 396.494 5.660 50 40 GKGB COc1ccc(/C=C(\C#N)c2nnc(/N=C/Nc3ccc(Cl)cc3)s2)cc1 5249101 BAHXMORJUDLDOF-GXDHUFHOSA-N 395.875 5.036 50 40 GKGB O=C(N/N=C\c1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 16477669 SNUAJJHLIVRFIR-OYKKKHCWSA-N 383.278 5.276 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1cccc(F)c1 107875676 GCBOXXWBKCRTAI-UNOMPAQXSA-N 391.417 6.007 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 208194363 ZWHBPHIQYWXCAK-IZQLPPHKSA-N 387.527 5.517 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 408541984 IOZMEBNYCHMEFX-MOSHPQCFSA-N 389.838 5.681 50 40 GKGB COc1cccc(-n2c(C)cc(/C=C(\C#N)c3ccc4ccccc4c3)c2C)c1 408550796 JZIIRKXKAUFVJQ-BUVRLJJBSA-N 378.475 6.320 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)cc1C 408934241 DFBQMDVTEXXXMK-HMAPJEAMSA-N 382.463 5.428 50 40 GKGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl 1095530 VMQKGOJZRVIMNG-YRNVUSSQSA-N 385.172 5.558 50 40 GKGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 2669628 GWMWRQBKFPSVKX-NTCAYCPXSA-N 388.261 5.349 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1 4503558 PWLOAUMJEUTCPS-NTCAYCPXSA-N 394.883 5.938 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 6410515 SHGXRRUIXQECEL-LKZQPVPRSA-N 382.463 5.050 50 40 GKGB Cc1cccc(Cn2cc(/C=C(/C#N)c3ccc4ccccc4c3)c3ccccc32)c1 6547209 WIUNEWULUMXYRP-ONUIUJJFSA-N 398.509 7.215 50 40 GKGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 20243963 SHZRJDVCWWXKQP-BUVRLJJBSA-N 390.508 5.171 50 40 GKGB CCCCCCCCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 100500818 MLRJUXQTOGJYLD-ICSRJNTNSA-O 391.016 5.619 50 40 GKGB Cc1cc2c(cc1/C=N\NC(=O)c1cc3ccccc3o1)[C@@H](C)CC(C)(C)N2C 208227979 MTBIPOVBPPQKGQ-FTWDSPQQSA-N 389.499 5.227 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1Cl 408741798 LEKLTEXVVQIGOQ-AQTBWJFISA-N 375.859 5.293 50 40 GKGB CCC(=O)NN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1 2226270 YPPUICZMVYDZMS-UHFFFAOYSA-N 382.548 5.435 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)cc3OC)n2)cc1 8654139 AQJCUBJAKBEMTF-WOJGMQOQSA-N 376.481 5.454 50 40 GKGB CC(C)(C)/C(=N\SS/N=C(/c1ccccc1)C(C)(C)C)c1ccccc1 101378412 CNVHSGBUPBZTNG-SRPFLQSCSA-N 384.614 7.269 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)C)C[C@H]2C[C@H]1[C@@H](C)C2(C)C 106906011 OBEDIMGIHQHZOK-PRHHBONVSA-N 376.537 5.075 50 40 GKGB biogenic Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(F)c1 409245531 VIGFBNUUPXZSTM-OJSPLJLUSA-N 387.458 5.018 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc1[N+](=O)[O-] 409335798 YIRYMPNZQBIRLX-UYRXBGFRSA-N 380.403 6.381 50 40 GKGB Cc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 1660025 XLYWYUXQXXUCGD-CABCVRRESA-N 382.095 5.077 50 40 GKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 4106554 IRMBALKVNFPZQO-CZSAIGQJSA-N 397.522 5.291 50 40 GKGB Cc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(C)cc2)cc1 51329688 LEUQRPNRVUXMSV-KJVZAOPQSA-N 392.930 5.665 50 40 GKGB CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@](C)(CO)[C@@H]3CC[C@]12C 169748357 FUNLLIJOYNVIFA-QHBQVTGMSA-N 380.645 5.181 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408883980 RYYSWUXJTPZFCW-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB CC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@@H]1CC[C@H]2C(=O)CCC[C@@]12C 504280267 SSBPDZGZFAVZPC-CIEVZJJWSA-N 394.716 7.379 50 40 GKGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 5739247 RRYCYXZCFJGXHV-GHONEHJGSA-N 386.282 5.097 50 40 GKGB COc1cc(Cl)c(/C=C(\C#N)Sc2nc3ccccc3s2)cc1OC 33407020 HSKKYVSRAKZJNA-KPKJPENVSA-N 388.901 5.624 50 40 GKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c1 44950338 AZMSNLPFCAIVMT-DHRITJCHSA-N 394.446 5.047 50 40 GKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 408582036 LHMOYJQIAVEABF-DEDYPNTBSA-N 375.855 5.992 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408810781 PZMAMXKXKUBGQE-HMMYKYKNSA-N 382.463 5.567 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1Cl 3050643 FAELPIWUFCBGQO-DHRITJCHSA-N 393.273 6.064 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H]1C2 5381484 OABVOERAKHNDFR-SCEQYLHRSA-N 383.319 5.081 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 10130539 IWGIFDNTMSNGAC-HAKPAVFJSA-N 398.890 5.380 50 40 GKGB CNc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 19309537 JADIZXZXYDQTRX-CXUHLZMHSA-N 376.441 5.133 50 40 GKGB CCc1cccc2c(/C=C(\C#N)c3ncc(C(F)(F)F)cc3Cl)c[nH]c12 25890024 UCFLYQMLGPIMHO-WUXMJOGZSA-N 375.781 5.862 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(F)(F)F)c3)n2)cc1C 100839919 OFBNYENLQXKAPQ-LFIBNONCSA-N 399.441 6.422 50 40 GKGB CCCCCCCCCCC[C@@H]1C(C#N)=C(N)O[C@@H]2c3ccccc3OC(=O)[C@H]12 102609888 DPRNSWTVQWKXHM-ZPMCFJSWSA-N 396.531 5.524 50 40 GKGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(C(C)(C)C)cc1 408777552 BVROHGXBNMPBHI-HKWRFOASSA-N 394.522 6.332 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(C2CCCC2)c1C 408782523 JSQURESZNMLXFU-GRSHGNNSSA-N 383.499 5.229 50 40 GKGB CC(C)n1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 409244051 WUPIDRIJLMGVJA-GDNBJRDFSA-N 397.400 5.787 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3225937 XQVHUWSLTMLVJR-RVDMUPIBSA-N 388.298 5.385 50 40 GKGB CCCCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)OC1=O 100004477 YOGGQENQAQOXCE-JOCHJYFZSA-N 380.613 7.508 50 40 GKGB C=CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 408580620 PZQKCZGHFJPIJM-SFQUDFHCSA-N 384.273 5.477 50 40 GKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)cc1 408691501 AWQFXNVBFNDTKA-LGMDPLHJSA-N 397.434 5.080 50 40 GKGB O=C(N/N=C/c1ccc(Br)cc1)[C@H](c1ccccc1)C1CCCCC1 408723066 QASQFCKJEYCALG-KMUCBOENSA-N 399.332 5.263 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)c1 408792730 CEIFHXRQRRTECO-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1 5774393 YUJRCIFYFLMFDV-XMHGGMMESA-N 388.854 5.465 50 40 GKGB Cn1c(/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)cc2)nc2ccccc21 12374258 XYSFXWDLOMESQD-RGEXLXHISA-N 383.426 5.356 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)c1 28217365 VMZWARLIGYGGGI-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)cc1 408591158 RSCIRHJHEFPDSL-WGOQTCKBSA-N 397.478 5.020 50 40 GKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2c(c1)OCO2 409366300 UDDKGLNQGJOOIX-GZTJUZNOSA-N 397.459 5.394 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OCc1ccccc1 5068764 NGECEPLDJMUEFW-CPNJWEJPSA-N 398.487 5.948 50 40 GKGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1C 12859165 MHBXSZODMLNZEX-WYMPLXKRSA-N 396.874 5.054 50 40 GKGB CCC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1 20132572 QFAOVMRIVFLVME-ZETCQYMHSA-N 382.110 5.105 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(F)cc1 59534975 UVNIRXGTFVMKHQ-QGOAFFKASA-N 390.389 5.089 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 408580814 RVDFAVMBPXXOOU-KGENOOAVSA-N 382.894 6.716 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)Cn3cnc4ccccc43)cc2)cc1 408691849 UGQGIWHETSZGJM-HMAPJEAMSA-N 379.463 5.531 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccccc2)c1 408804980 IBYXEBZBVHNLKP-KGENOOAVSA-N 398.462 5.128 50 40 GKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 2057226 JJELQSWAXCYQJD-ZVHZXABRSA-N 380.875 5.661 50 40 GKGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 2348157 OREXZKGLLICEPT-JLHYYAGUSA-N 378.255 5.894 50 40 GKGB Cc1cccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 6391273 IRLXGAHBKKLWSA-RVDMUPIBSA-N 396.313 5.858 50 40 GKGB Cc1ccccc1Cn1c(C)c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 8812489 CFTRICCPQXSXJB-JFLMPSFJSA-N 399.469 5.209 50 40 GKGB CCCC[C@@H](Br)C(=O)Nc1nc2cc(Cl)c(C)cc2s1 20132890 MCLAHMSILQBSIY-SECBINFHSA-N 375.719 5.150 50 40 GKGB CCCCCCCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 103008840 KHKSEYZKYFVXEG-UHFFFAOYSA-N 385.460 5.943 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 209490947 OYMQFIGHFYPYDC-UDWIEESQSA-N 394.301 6.945 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(C)cc3)c2)cc1OC 408579577 IBHJKTFDOUMEEB-LPYMAVHISA-N 385.463 5.655 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1 408691632 JJAMHQGEGNUQRO-UYRXBGFRSA-N 382.467 5.060 50 40 GKGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 408727170 YRGDXEAXNBPODN-UYRXBGFRSA-N 378.472 5.037 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 409364536 NXUSXWHPNZUKEY-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB O=C(N/N=C/c1cccc2ccccc12)c1ccc(OCc2ccccc2)cc1 3162152 FKISMNJETVQAHA-YZSQISJMSA-N 380.447 5.183 50 40 GKGB O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccn1 3261476 BJNZSVJEGGNRMQ-ZXVVBBHZSA-N 392.462 5.315 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1 17003650 UIUMIVBTRQQBHO-MOSHPQCFSA-N 375.855 5.992 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1C)[C@@H](C)CC(C)(C)N2C 208231101 DGHBINZYAWEFRA-HRVJUDJTSA-N 387.527 5.571 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1 408581154 GVRMKHNCBVDJRX-JJIBRWJFSA-N 391.470 6.492 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1OC 408582957 PYVAZADACGJHNP-DEDYPNTBSA-N 389.426 5.486 50 40 GKGB COc1ccc2ccccc2c1/C=N/NC(=O)C(c1ccccc1)c1ccccc1 4507835 DXMKMTIZRUDVHR-OVVQPSECSA-N 394.474 5.131 50 40 GKGB O=C(CCCC[C@@H]1CCSS1)N1CC=C(c2c[nH]c3ccccc23)CC1 42037008 ZGOGYPAWKWMZBR-QGZVFWFLSA-N 386.586 5.498 50 40 GKGB ClC[C@H]1[C@H](CCl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100897730 FUZORIOHZSVKAW-JSKVFSMCSA-N 397.771 5.542 50 40 GKGB in-vitro COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 408794186 HWJJXCKPPFUOKL-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C 408800425 PFDYGOQFRNBYIZ-FOWTUZBSSA-N 376.843 5.356 50 40 GKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 944607 GPSLNTRDFHMDJI-IBGZPJMESA-N 394.858 5.051 50 40 GKGB O=C(N/N=C/c1ccccc1)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 1022714 HIDQBNZHKOCEDW-LACYQQLWSA-N 393.490 5.277 50 40 GKGB Cc1ccc(/N=C/c2ccc3c(c2)[C@H](c2ccccc2)C(C#N)=C(N)O3)c(C)c1 2251982 JTYGCXMGXBPAMP-GCFUEJLLSA-N 379.463 5.272 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OCC 5071122 CEMZIQBVXLIBKN-NBVRZTHBSA-N 375.472 5.215 50 40 GKGB O=P(Nc1ccccn1)(c1cccc2ccccc12)c1cccc2ccccc12 17595927 RFVDUZURTGSWAO-UHFFFAOYSA-N 394.414 5.729 50 40 GKGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(C(C)(C)C)cc1 59473759 JHRXRKVJSBYIAW-HKOYGPOVSA-N 382.573 5.375 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc3ccccc3c1)[C@@H](C)CC(C)(C)N2C 208216556 GHTOTSGHAPZYFM-NLTKLDOMSA-N 399.538 5.634 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)c3ccc(Cl)cc3)cc21 223508694 XMILSSADNASVRI-MTJSOVHGSA-N 390.958 7.123 50 40 GKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(C)c2)c2ccccc12 408800357 OMFWWKOIBCLBTO-ALDSOSFCSA-N 385.511 5.128 50 40 GKGB C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 12318519 MQKDJZNKVQJXEX-VARQLJSGSA-N 387.612 6.336 50 40 GKGB biogenic Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C 33296109 BVBZLPFJMYTNAY-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 40006611 JGMBOSWYAXXEJJ-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(/N=N/c3ccccc3)ccc2O)cc1 59335031 CCDLWQOELANAGG-GCIFIVARSA-N 382.423 5.662 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408788840 MJOZAGIJKBBIPY-OVCLIPMQSA-N 389.282 5.555 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 408791941 FOCRLIHQXAJTEV-CXUHLZMHSA-N 399.277 5.168 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C 408998268 IRHUDKKJDHFWOE-PKAZHMFMSA-N 395.506 5.574 50 40 GKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)cc1 948745 IYFUBWBTCDPDGS-RCCKNPSSSA-N 396.446 5.068 50 40 GKGB O=C(N/N=C/c1ccsc1)c1cc(-c2ccccc2Cl)nc2ccccc12 2091074 CJQUZUSDMOSMSQ-FSJBWODESA-N 391.883 5.381 50 40 GKGB CCOc1ccccc1N/C=C(/C#N)c1nc(-c2ccc(C)cc2C)cs1 2286807 JTKVIEWECWQWNW-LGMDPLHJSA-N 375.497 5.802 50 40 GKGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 4175180 VVQOLWRESVNMDT-XPNFCJTCSA-N 393.855 5.992 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3C)n2)cc1 4823935 OBMHSUPFFYNTMT-VBKFSLOCSA-N 395.915 6.147 50 40 GKGB COc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 33347600 NGZZBALOBCQGDO-JJFYIABZSA-N 389.238 5.026 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 109035851 HJEDLMAGFFFAEV-CAPFRKAQSA-N 392.499 5.590 50 40 GKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 408814800 SINUTFISFRFCQZ-HMMYKYKNSA-N 392.458 5.856 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NC1CCCC1 409192559 YRCOFCCSGFCSRG-HAHDFKILSA-N 396.490 5.385 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(/C#N)c2cccc3ccccc23)c1 6478781 SRFXWKXJWULAOV-ULJHMMPZSA-N 375.471 6.791 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C 15252379 OEBRAXYSWSGZID-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\C=C\c3ccc([N+](=O)[O-])cc3)n2)cc1C 33370701 YOVPNYXONAUJSU-GAWKTNFTSA-N 387.464 5.956 50 40 GKGB CC(C)CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 44932793 SDNNXZKUNXYTCF-PTNGSMBKSA-N 388.261 5.205 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Br)cc1 408926150 VNITXIZWHDGKNT-CSKARUKUSA-N 396.071 5.302 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Cl 409009652 BAUWUNUVHBLTSA-FYHAJLKWSA-N 394.902 5.363 50 40 GKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 409118156 PCDYDHNACGDNPC-AQXNZCSYSA-N 397.931 5.136 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)Sc2ccccc2N3C)cc1 409145702 PJZZHKHIUASBOZ-QGOAFFKASA-N 397.503 5.773 50 40 GKGB C[n+]1ccc(/C=C/c2ccc(N(CCCl)CCCl)cc2)c2ccccc21 1763328 SLCYPWVMVYIMNI-UHFFFAOYSA-N 386.346 5.119 50 40 GKGB O=C(N/N=C\c1cccc2ccccc12)c1ccc2c(c1)CN(c1ccccc1)C2 83323586 TVLBVZXTFCCIKU-YUMHPJSZSA-N 391.474 5.124 50 40 GKGB CCN1c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2[C@H](C)CC1(C)C 208307194 KVALIOIGQTUUTR-MKCIMWKDSA-N 389.499 5.309 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408855562 OCOHJKDENKZIRA-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408865802 FTJNGPWIDXEBQQ-MSIWHDFOSA-N 396.918 5.195 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCC(C)C 408985782 NGIPBBWHGAMECW-UDWIEESQSA-N 392.499 5.283 50 40 GKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 409113620 DWVZZAMZZQWHCD-LFVJCYFKSA-N 391.540 5.035 50 40 GKGB N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1cccs1 409128441 FPCJKIVZVOLGPY-GFCCVEGCSA-N 395.336 5.327 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1O 44827370 JYVXQBHGVUVDRX-ZDLGFXPLSA-N 376.481 5.595 50 40 GKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 59117047 OKIFLCWCAKIQFK-NTEUORMPSA-N 375.255 5.328 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc2ccccc12 107788387 XSNOKXNKHULSIP-HMAPJEAMSA-N 393.446 6.220 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1nc2ccccc2[nH]1 409010374 KFAPKUUBNHDZND-KAMYIIQDSA-N 389.256 5.180 50 40 GKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2)cc1 409202924 VENMFOIFDWTQNG-OEAKJJBVSA-N 380.900 5.249 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc([N+](=O)[O-])cc1 409215396 XVVUBTSLSXLLLP-NTEUORMPSA-N 395.758 5.481 50 40 GKGB N#CC(C#N)=Cc1c2oc(-c3ccccc3)cc(-c3ccccc3)c-2c2ccccc12 3253518 QFQCBVLWKMPJRM-UHFFFAOYSA-N 396.449 7.302 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Br)n2)c(C)c1 6472891 BLKASQVYZZOYFM-YBEGLDIGSA-N 395.325 6.254 50 40 GKGB CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1 17286347 OGFSPYHNQLTNEL-NTCAYCPXSA-N 395.509 5.415 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2)cc1 408580229 NDMRKFRBEMNZMU-XDHOZWIPSA-N 394.301 6.945 50 40 GKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1 408772723 MSNNCDKFOULJHD-MOSHPQCFSA-N 394.902 5.079 50 40 GKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(Cl)cc1 409355131 JDNYHGVYHVVADH-UYRXBGFRSA-N 386.857 6.546 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)cc1 409361553 DEERTGOSKBEUCM-UYRXBGFRSA-N 380.274 6.637 50 40 GKGB CCN1C(=C/C=C/C2=CC(=C(C#N)C#N)CC(C)(C)C2)N(CC)c2ccccc21 685944625 QMQOXYVXAZHRIR-MDZDMXLPSA-N 384.527 5.841 50 40 GKGB CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 3023526 OMVDUFFBABSUEU-YZSQISJMSA-N 386.495 5.180 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCCOc1cccc(C)c1 4196593 KWMONKQCUSUATJ-QJOMJCCJSA-N 399.490 5.916 50 40 GKGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 6468723 HNFXSTYLKPYZAN-WCIBBKAISA-N 390.508 5.251 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)C)cc1 408548812 LOFMQNACJXFQLA-PKAZHMFMSA-N 390.530 7.435 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Cl 408581005 FXGFQNNXFWWAEW-VGOFMYFVSA-N 378.255 5.473 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)c(Cl)c1 408587813 UUFBOHANPIPWQI-SFQUDFHCSA-N 382.290 7.000 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c1 408589535 LPVUTRGWOOLUGV-JFLMPSFJSA-N 399.469 5.209 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1Cl 408591900 WBEFFHISDDHCBY-BHGWPJFGSA-N 392.764 5.383 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408807116 OEWMXFZPFLMRIY-CAPFRKAQSA-N 384.479 5.737 50 40 GKGB O=C(CCCCBr)c1ccc(Br)c(C(F)(F)F)c1 575362575 AKYDHYUUJJNPHZ-UHFFFAOYSA-N 388.021 5.216 50 40 GKGB CCCc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)c3ccccc3n2)cc1 2109680 PCJRHAQXDXAZNG-PCLIKHOPSA-N 399.519 5.680 50 40 GKGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1ccc(C(C)(C)C)cc1 4199153 UNOCNCUCFPQEEO-MFKUBSTISA-N 399.922 5.080 50 40 GKGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 4523965 HEISGARWPFZAHN-FWLDDUTDSA-N 381.303 5.165 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 5543519 DTLKHOCVAUMDAO-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)[nH]c2c1 33407888 KIVKRPFRBSKGFK-HMAPJEAMSA-N 394.522 6.466 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)[nH]c2c1 35351901 NDSYOWSXSCDFQA-YBEGLDIGSA-N 383.407 5.202 50 40 GKGB CC1(C)CC2=NC(S[C@@H]3C=CCCC3)=C(C#N)[C@@H](c3ccccc3)C2=C(O)C1 103521793 XITBMMXTHOGUEK-DYESRHJHSA-N 390.552 6.434 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(C)C 408819546 XQROVPGKAALCFN-LICLKQGHSA-N 398.890 5.238 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 5746930 BYVLQHDHWWAWLV-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccccc2)c1CCCl 27585322 ZQOIRTIGQOCITN-UHFFFAOYSA-N 376.891 5.538 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc([N+](=O)[O-])c1 34848837 QTYZKLCSPVTCSZ-LCYFTJDESA-N 385.206 6.226 50 40 GKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C3/C[C@@H]4CC=C[C@@H]34)cc2)cc1 35612349 GRALOGQPOHSRSM-ZHQWXFPPSA-N 388.511 5.245 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2CC[C@@]1(C)C2(C)C 100741210 LSQKTLIPGPORGO-PUZWTLIVSA-N 390.564 5.610 50 40 GKGB biogenic Cc1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1C 408585154 BPSQMCIHVKRTQY-ODLFYWEKSA-N 381.306 6.774 50 40 GKGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3cccc4ccccc34)c2)cc1 408891764 UYXDISCLKSNMRB-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)C)C[C@H]2C[C@@H]1[C@H](C)C2(C)C 2102790 OBEDIMGIHQHZOK-PMECCGAFSA-N 376.537 5.075 50 40 GKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 4106559 IRMBALKVNFPZQO-ZBZBZECSSA-N 397.522 5.291 50 40 GKGB Cc1ccc(Cn2c(C)c(/C=N/NC(=O)c3ccc(F)cc3)c3ccccc32)cc1 8812487 KEXVCBXQHIKPAA-JFLMPSFJSA-N 399.469 5.209 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc(Cl)c2)cc1OC 33684485 BNCYSZBYYMIHPN-KHAFMBKQSA-N 376.283 6.243 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(OCC)c1O 408806621 AMFUDXNKYNGGTI-BOPFTXTBSA-N 384.273 5.346 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408819245 YRUJVFRWIBCQMA-HMMYKYKNSA-N 380.447 5.014 50 40 GKGB Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1 8335702 UIQHTVBFRGDBQS-UUYOSTAYSA-N 399.903 5.857 50 40 GKGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ccc2s1 22608489 XPUOEUYPDKPADG-IZZDOVSWSA-N 375.331 5.287 50 40 GKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC 59336055 OKDOMEVTTIGUNS-PTNGSMBKSA-N 387.266 5.276 50 40 GKGB COP(=S)(OC)SCc1c(-c2c(Cl)cccc2Cl)noc1C 2570535 ZNHFPTRPSAKFAR-UHFFFAOYSA-N 398.273 5.707 50 40 GKGB Cc1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)c(C)c([N+](=O)[O-])c1 4149358 YUEBARJBNVUPMC-RVDMUPIBSA-N 384.395 5.412 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 4525075 SMUSDNKHHLISIF-XNTDXEJSSA-N 397.261 6.108 50 40 GKGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)c1nc2ccccc2[nH]1 4678107 QKBBWVVMSHSBOK-KNTRCKAVSA-N 381.435 5.085 50 40 GKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 207151683 GOCOJQUWDHLFEG-FOWTUZBSSA-N 384.863 5.073 50 40 GKGB CC(C)N1c2ccc(/C=N\NC(=O)Nc3ccccc3)cc2[C@H](C)CC1(C)C 260572282 UKLOTBRVVIDKIL-WMWHPZEKSA-N 378.520 5.343 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C(C)C)c(OC)cc2C)cc1 408745909 WIPUFHCQOHFRJW-PDGQHHTCSA-N 378.472 5.071 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc(Cl)c1 408774161 AMBJSAIEYKJVQR-ZROIWOOFSA-N 384.218 6.016 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)c1 408869311 BQIOWIAVTBZMEX-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc(Cl)cc2)c1C 408996039 GRPIREZGSAHSOU-CFRMEGHHSA-N 379.891 5.128 50 40 GKGB COc1cc(C)c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1C(C)C 409024746 VYUIDTPLSXMLOV-KSEXSDGBSA-N 384.863 5.291 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)NC1CCCC1 409195265 STROHWVXMPULPN-QBFSEMIESA-N 388.945 5.518 50 40 GKGB COc1cccc(/C(C#N)=C/c2c(-c3ccc(Cl)cc3)nc3c(C)cccn23)c1 4025047 FXMKRHIUUZIIFV-XMHGGMMESA-N 399.881 6.036 50 40 GKGB aggregator N#CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 6896906 PLZRHMGWKFJMOP-LCYFTJDESA-N 395.249 5.017 50 40 GKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)cc1 33362764 RFGHYLANZQTHFB-XKZIYDEJSA-N 376.437 5.249 50 40 GKGB N#C/C(=C/c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 33733908 ZIUBFXNCAJVICY-VBKFSLOCSA-N 388.879 6.806 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 34719008 UNROIKIVNBHODL-DHDCSXOGSA-N 382.872 5.545 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(F)ccc3C)n2)cc1OC 100946911 FHWGJHIQOZSDJD-PTNGSMBKSA-N 395.459 5.251 50 40 GKGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 212111972 YSCRXKWLUHPAPB-LGMDPLHJSA-N 399.416 5.241 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)c1nc2ccc(F)cc2[nH]1 408567409 MWIURXZSTKMSEJ-BOPFTXTBSA-N 387.389 5.484 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(Cl)c1 408598842 KHSPBPWBNGFBPN-HAHDFKILSA-N 395.889 7.136 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 408798692 WOFHYEHUNYMDHN-OVCLIPMQSA-N 389.282 5.555 50 40 GKGB COc1cc(C=C(C#N)C#N)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408816078 SKVBROUISKUUAN-UHFFFAOYSA-N 393.657 5.665 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1 2307715 ZZNRAPKRMHIAIM-GHRIWEEISA-N 389.480 5.120 50 40 GKGB aggregator CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1 4354941 ZVSPQSLUGOLEMO-ZTNFWEORSA-N 390.918 5.206 50 40 GKGB O=C(O/N=C(/c1ccccc1)[C@@H](Br)c1ccccc1)c1ccccc1 5048964 HVJVRICSBHAWND-OBOGJDLMSA-N 394.268 5.384 50 40 GKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(OC(F)F)cc1 6312318 QZPHPZCMVIKQNA-LSHDLFTRSA-N 394.830 5.310 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c1 6389499 VARQACGBXMPVFX-STZFKDTASA-N 399.494 5.347 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1[N+](=O)[O-] 6478052 ASGLYYRXRVXSRE-MFOYZWKCSA-N 391.452 5.408 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C/c2sccc2C)nc1-c1ccccc1 4995259 PKCWIWNIYIBMIF-RVDMUPIBSA-N 379.510 5.593 50 40 GKGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1S2 5494659 MBMFDWAPDUERIO-ZMOGYAJESA-N 377.444 5.188 50 40 GKGB CC[C@@H](C)n1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c2ccccc21 18045074 LNPVYPORQLMGPK-LEBHLANCSA-N 393.494 5.621 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2F)c1 33718357 XMQDRSYZIMJVDE-MOSHPQCFSA-N 386.426 5.259 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1cccc(Br)c1 33731925 WKKVISNBSKCPEA-BOPFTXTBSA-N 395.275 6.060 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1C 59133463 BKJGGAIAMCINKN-SFQUDFHCSA-N 376.843 5.763 50 40 GKGB Cc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)cc1 100295763 ZZYZSNODVVFFFR-OJAHFUOMSA-N 388.374 5.124 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc(Cl)c1 408599104 OTKWSZCNEBJJSO-ZROIWOOFSA-N 385.206 6.226 50 40 GKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 408795456 VLJPTRATWJRUCK-OQLLNIDSSA-N 387.266 5.412 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1cccc(F)c1 409389510 BRSJWPHTCGQFDD-GRSHGNNSSA-N 377.390 5.617 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1 4174931 VTDIZQADCWNLKS-QNGOZBTKSA-N 388.536 6.616 50 40 GKGB COc1cccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)c1OC 6472887 WCFOYAHFBVMXRY-BOPFTXTBSA-N 376.481 5.508 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 5525135 MJIYJXBKTXOBDM-HMMYKYKNSA-N 392.499 5.508 50 40 GKGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(OCc2ccccn2)cc1 98008604 DYZMFSPZAXXUNI-RGEXLXHISA-N 393.446 5.240 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(F)cc1[N+](=O)[O-] 104051013 YZKRFSNQAWACCF-UUYOSTAYSA-N 398.265 5.077 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 252494322 NRYSJDSDAHTDLM-LFIBNONCSA-N 394.833 5.847 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1 408879477 DPZLNHJERLJIID-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCCCCOC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 5735183 OREXZKGLLICEPT-RAXLEYEMSA-N 378.255 5.894 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 6933932 XOCUTCLWXXWPDD-DISPHTKASA-N 398.890 5.380 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)c1cccc([N+](=O)[O-])c1 33769988 RIVMPQYWMCKGBY-UNOMPAQXSA-N 397.409 5.801 50 40 GKGB CCCCCCCCC(CCCCCCCC)=NNC(=O)c1ccccc1O 98001514 IJTQLEUWGAUZKR-UHFFFAOYSA-N 388.596 6.979 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCc2ccccc2C1 98086335 VAGHTVGAGGGGOP-CPNJWEJPSA-N 388.854 5.092 50 40 GKGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792514 KLEIAEXWEBVBBA-XMHGGMMESA-N 393.446 5.293 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cc2cc(Cl)ccc2o1 409015976 AAMWTWQSFQZVLO-KSEXSDGBSA-N 399.233 5.764 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 409366113 SQOSUBFGJJTTOU-ODLFYWEKSA-N 389.838 5.712 50 40 GKGB CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 1051997 MUHZJDOQBOBIFS-PCLIKHOPSA-N 388.467 5.131 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 1510795 AJNPDGBRFUZKGK-GXDHUFHOSA-N 393.786 5.054 50 40 GKGB Cc1cc(C)c(-c2c(C)cc(C)cc2CBr)c(CBr)c1 1722244 ABIHOOZGJNJGJD-UHFFFAOYSA-N 396.166 6.377 50 40 GKGB CCc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1cc(C)ccc1C 4957132 IYWNKECRTIOMSG-GZTJUZNOSA-N 389.480 5.962 50 40 GKGB N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 6495167 FSBLLSSMGUOFTR-MRXNPFEDSA-N 389.307 5.265 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccccc2Cl)c(C)n1-c1ccc([N+](=O)[O-])cc1 13546828 ZXURBEQCLIDVDD-ATVHPVEESA-N 377.831 5.720 50 40 GKGB COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C(\C#N)c1ccccn1 16695171 KYIZZQHRQLLXPB-HMMYKYKNSA-N 392.462 5.066 50 40 GKGB O=C(CCCCl)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20133622 NVFHJTNMLRAKQE-UHFFFAOYSA-N 395.311 5.486 50 40 GKGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1 59473560 AHPAGLVSTUJYBS-OEAKJJBVSA-N 380.900 5.396 50 40 GKGB O=C(N/N=C/c1ccccc1F)c1ccc(CSCc2ccccc2)cc1 59474260 LHYKIDKZURGIKF-ZVHZXABRSA-N 378.472 5.023 50 40 GKGB N#C/C(=C\c1csc(-c2ccco2)n1)C(=O)Nc1cc(Cl)ccc1Cl 95955432 PAVRYUJYUXEPNG-UXBLZVDNSA-N 390.251 5.256 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(F)c3)n2)cc1OC 100601012 BYRCEULAIJJCDC-RVDMUPIBSA-N 395.459 5.251 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)c2C)cc1 409391763 LFGXNPQXBJKSRW-PDGQHHTCSA-N 398.466 5.052 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 948335 ROPWEDQRUVPIQW-OQLLNIDSSA-N 392.808 6.028 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 2294480 NONSTWNKUQCGDK-XMHGGMMESA-N 394.902 5.275 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1Br 3236826 KCNBHYKBQBDYCN-CSKARUKUSA-N 396.071 5.302 50 40 GKGB Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(Br)cc3)sc2C)cc1 4996474 FLXRTPNLLSMEQY-GZTJUZNOSA-N 395.325 6.254 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 6410787 ZPJFHSGGJJJFNW-OBGWFSINSA-N 382.891 5.845 50 40 GKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(C#N)c1 33783262 RFSCJOABXJYQKG-FYJGNVAPSA-N 377.422 5.765 50 40 GKGB CCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 97965609 DVWOLZBAJNEHDT-XIEYBQDHSA-N 396.531 5.475 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408794210 IJCUKYBXHKPXCD-WUXMJOGZSA-N 395.673 5.591 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc12 408803318 NOGZHPCRFBXHRZ-RWUIMUJRSA-N 390.527 5.621 50 40 GKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1CC=C 408981878 DFVRYIRXDQDDFU-UYRXBGFRSA-N 392.886 5.487 50 40 GKGB CCOc1ccccc1/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 33695779 KQLQJHPHTSOASM-MHWRWJLKSA-N 377.425 5.181 50 40 GKGB CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 100071245 INFNPFBDXGVHOP-ATVHPVEESA-N 388.496 5.362 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)o1 408566893 IYKLNWULIKRBOV-JYRVWZFOSA-N 388.358 5.243 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408581070 UBPMORFCKHWEME-RCCKNPSSSA-N 389.476 5.135 50 40 GKGB Cc1ccc(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 408782490 JDZOTJMUIATSTG-MFKUBSTISA-N 384.504 5.544 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 1185753 UGPCQLKCHNGIHL-SDNWHVSQSA-N 382.828 6.057 50 40 GKGB N#C/C(=C1/C=C(Br)/C(=N\O)C=C1Cl)c1cccc2ccccc12 5085885 BJDKZONPNOGIEO-CESFLCHSSA-N 385.648 5.362 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3c4ccccc4cc4ccccc34)[nH]c(=O)c2c1 6187981 YAWHTFOKZHDHGN-XMHGGMMESA-N 387.442 5.602 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c1C 7164374 VBGVTNQIHOPYPI-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1c(/C=C(/C#N)c2ccccc2F)c2ccccc2n1Cc1ccccc1C#N 33685445 CIBULGVVHNYQOQ-STZFKDTASA-N 391.449 6.073 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 33772825 XSWBHQZTPKVMGX-RGEXLXHISA-N 378.472 5.118 50 40 GKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 59202266 HXMJCMIVOCCGHR-SFQUDFHCSA-N 396.874 5.158 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1 408756916 YFTPRTBZQYBUSD-PTNGSMBKSA-N 394.883 5.938 50 40 GKGB COc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409109056 XEXCPRDKAXRDDY-OEAKJJBVSA-N 396.899 5.264 50 40 GKGB CN1/C(=C\C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)C(C)(C)c2ccccc21 4868015 GLMDXMDOZNOUNQ-IIHLIJIESA-N 377.875 5.040 50 40 GKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(Cl)cc3)s2)cc1 6476593 QHQOXOSDVUTGLJ-YVLHZVERSA-N 393.899 5.241 50 40 GKGB Cc1cccc(OCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)c1C 9195847 QKLGQBJMWZPERE-YSMPRRRNSA-N 382.463 5.139 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccccc2[nH]1 9310435 VICQBNOUJRCZEN-DEDYPNTBSA-N 376.419 5.078 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)c1 408599498 HYOIAPRBPIPLDU-WGOQTCKBSA-N 387.527 5.464 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Cl)cc1 408821800 KHULVUNYNNAMEO-QINSGFPZSA-N 396.277 5.638 50 40 GKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl 409239128 CARHLLOZIMRBTL-WPBJZHHJSA-N 389.282 5.176 50 40 GKGB O=C(CCCCBr)c1ccc(Br)cc1C(F)(F)F 575362391 JXZFGEYIVMIALS-UHFFFAOYSA-N 388.021 5.216 50 40 GKGB N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 5022160 FRTQKNJHXLFDOR-WQLSENKSSA-N 399.834 5.308 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(Cl)ccc3O)o2)cc1Cl 5814958 RZJPYXRTUYBEJI-LSHDLFTRSA-N 389.238 5.031 50 40 GKGB N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@H]1c1ccc(Cl)cc1 6495722 PGNMSWSWUCUKQV-HNNXBMFYSA-N 389.307 5.265 50 40 GKGB N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 13615800 DOYXUUZITFJENZ-OBJYXWAWSA-N 396.559 7.478 50 40 GKGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)c(Cl)c1 16268307 BCUNWIVETPZJON-YBEGLDIGSA-N 390.849 5.827 50 40 GKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1Cl 59503577 OAQXFQGOEDHOGS-FSJBWODESA-N 387.266 5.309 50 40 GKGB N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)c1ccc(Cl)cc1Cl 408581300 WBQHRIJYAQRGHY-LICLKQGHSA-N 398.264 6.776 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1C 408805331 ACSMDWNAOLIMRL-CGTWZXBVSA-N 389.543 5.313 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 408820469 XXCRCDWFABRNPE-ZHZULCJRSA-N 386.426 5.259 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1 408845437 MXCJWRNKPATSCL-MYYYXRDXSA-N 385.467 5.167 50 40 GKGB Cc1ccc(SSC[C@@H](O)[C@H](O)CSSc2ccc(C)cc2)cc1 1617541 FMZZGVNNDQNDED-QZTJIDSGSA-N 398.640 5.206 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OC(C)C)c(Cl)c1 6762733 ZWUGGNJOFRBSMU-ZMOGYAJESA-N 396.874 5.053 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1 13893357 WAUWWBJDYUELJN-SRZZPIQSSA-N 391.279 5.502 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 15013833 LRNZMCQLJHOGQV-YBFXNURJSA-N 393.845 6.131 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cccc(Cl)c1 58823104 HUPBPGPPJDGBJW-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1 408539883 KGVJBQIMKIFOME-ULJHMMPZSA-N 386.923 5.843 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)c1nc2ccc(F)cc2[nH]1 408570443 VEORVSOZGLVMDJ-YVLHZVERSA-N 387.389 5.484 50 40 GKGB CCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1 3231309 DIDBASVDNBXWCJ-XNTDXEJSSA-N 376.681 5.955 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1 3355016 CXLNPNDVEOBCHL-HMMYKYKNSA-N 396.918 5.522 50 40 GKGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 4505065 WCBKDJSLNGGLKC-ZMDNJCRMSA-N 386.539 5.849 50 40 GKGB Cc1ccc(-c2csc([C@H]3C(=N)NC(S)=C(C#N)C34CCCCC4)n2)cc1 5442990 QGXCRUVIXCXSER-QGZVFWFLSA-N 394.569 5.398 50 40 GKGB CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CNc1cccc2ccccc12 12401711 LCAKOVVNSAYRII-MLVFRXJUSA-N 385.511 5.581 50 40 GKGB CCCCCCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1 100168365 MSPAYUHMOQIOAF-JZJYNLBNSA-N 390.552 7.100 50 40 GKGB CCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1 100708242 ZNYGNFFHVVAJCZ-DYTRJAOYSA-N 379.500 6.537 50 40 GKGB Cc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 100839725 ZHETUGHJIQAKCH-GXDHUFHOSA-N 386.307 6.402 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2C(C)=CC1(C)C 208506111 FAIBICNDEGPUDF-WPWMEQJKSA-N 397.522 5.626 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1C 408589079 KOFICTLSMNNPHT-AFUMVMLFSA-N 393.918 5.057 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C 408807101 KGMXEIPMKFHMCE-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2)cc1 408935180 HEGJJSGPGQNEGA-MOSHPQCFSA-N 386.426 5.259 50 40 GKGB N#C/C(=C\c1cccc(OCCOc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 4182055 BSDGLQFJSFYQOY-HMMYKYKNSA-N 386.407 5.117 50 40 GKGB Cc1ccc(Cn2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c3ccccc32)cc1 13942834 WISYUZUETJBECJ-XSFVSMFZSA-N 388.474 5.939 50 40 GKGB CCOc1ccccc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 44827213 MNGRKPKWTQQQDW-NTCAYCPXSA-N 392.440 5.094 50 40 GKGB N#C/C(=C/Nc1cccc(F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 100418542 XDUJGAFWLCFOCB-KAMYIIQDSA-N 389.411 5.032 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)cc1 104195610 HUJQAHNPLHXQNW-PGMHBOJBSA-N 398.462 5.210 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 408581341 WGQBCGYBHCBRLH-UDWIEESQSA-N 394.301 6.945 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1 4115173 GWTXVLCYCBNNRY-ZTQAJYAQSA-N 390.918 5.206 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 33786856 OSLZLEIYCNRKAF-LCYFTJDESA-N 394.261 6.502 50 40 GKGB ClC[C@@H](Cl)CCCCCCCC[C@H](Cl)CC(Cl)(Cl)Cl 100369930 HAWCFLYPEAVOKJ-RYUDHWBXSA-N 391.037 7.321 50 40 GKGB in-vitro N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccc(Cl)c1 408599424 UQLJMRODNZNDAK-ZROIWOOFSA-N 384.218 6.016 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc12 408809556 HLEWAYPGHIZJGA-XKCHNTKASA-N 390.527 5.476 50 40 GKGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c1 2730235 GIWIXCPYUHOWIF-FYJGNVAPSA-N 399.494 5.265 50 40 GKGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1 6327942 GWMPUUHMBBRJTG-DHDCSXOGSA-N 390.266 5.388 50 40 GKGB COc1ccc([C@@H]2CCCCN(C(=O)CCCC[C@H]3CCSS3)C2)cc1 206885353 SBQKXCNYEREHNZ-QUCCMNQESA-N 393.618 5.505 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2ccccc2c1 408548330 GLANAWPULBYANN-PDGQHHTCSA-N 390.269 7.471 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408726436 SSWYBYIAGBKCDE-SPZLVNBKSA-N 391.298 5.530 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(F)c1 409394168 WRXHFMPINNZIAX-ZDLGFXPLSA-N 398.264 6.776 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)C)cc3)n2)c1 4063706 FQCZWPGVARUDNY-QGOAFFKASA-N 375.497 5.919 50 40 GKGB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1 5285848 FQFABVSJKLKMFO-XNTDXEJSSA-N 384.395 5.412 50 40 GKGB Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)Nc1ccc(SC#N)cc1 12372389 SOYYBDQWLWBVNT-UHFFFAOYSA-N 392.524 5.881 50 40 GKGB Cn1c(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1-c1ccc(Cl)cc1 13730122 WABPEOYNQYRWPH-NTCAYCPXSA-N 386.842 5.058 50 40 GKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)c1 208190544 XIYTXPFBGYHYSI-BDBXIWDTSA-N 387.527 5.571 50 40 GKGB COc1ccc(C=NO[Si](C)(C)C(C)(C)C)cc1O[Si](C)(C)C(C)(C)C 263610667 WJVLSGYGUKKMED-UHFFFAOYSA-N 395.692 6.435 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)cc1C 408992054 ZJWAVCLGTMMCDI-STZFKDTASA-N 375.516 5.067 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)cc1 409360175 YUVWTIDGQPBJHP-UYRXBGFRSA-N 380.274 6.637 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)c(C)c1 1288589 GETKVUZBSUUTMX-QGOAFFKASA-N 382.492 5.952 50 40 GKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)s2)cc1 1453257 QHQOXOSDVUTGLJ-LICLKQGHSA-N 393.899 5.241 50 40 GKGB COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1N(CCCl)CCCl 4773898 STRJCONEGQPRKH-QZQOTICOSA-N 397.262 5.303 50 40 GKGB CCc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@H]32)cc1 5408671 GFIZBGUBQNMXKW-JQVVWYNYSA-N 384.527 5.115 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 5756248 XGQGBSLUEHASHS-SDNWHVSQSA-N 397.261 6.108 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccccc1Cl 6453870 IVCGCLDAKHVRQR-PDGQHHTCSA-N 393.845 6.131 50 40 GKGB N#C/C(=C\c1c(Cl)nc2sccn12)c1ncc(C(F)(F)F)cc1Cl 95347436 MKXSFLACQSMOGD-XVNBXDOJSA-N 389.189 5.181 50 40 GKGB CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@@H]4C(C=O)=CC[C@@H]23)O1 96927594 MDYSLOGZXCWLSL-ZDOANDLKSA-N 382.544 5.213 50 40 GKGB biogenic Cc1cccc(Cn2cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1 108001461 LAUYXTCODHUZJE-BKUYFWCQSA-N 393.446 5.970 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cccc(Cl)c3)cc21 208457831 UATZQWHSQOARFT-ZMOGYAJESA-N 381.907 5.044 50 40 GKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)c1ccc(Cl)cc1Cl 408581259 VOEITVGYDFPTEL-LICLKQGHSA-N 398.264 6.776 50 40 GKGB CCCCCCn1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c2ccccc21 408607751 UQDTZGPHHNJRJL-HMMYKYKNSA-N 396.538 6.779 50 40 GKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc12 408745150 KGNFWBMFUWRMHW-SSZFMOIBSA-N 376.843 5.438 50 40 GKGB O=C(CCBr)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 4507023 CILAHASITMESEZ-UHFFFAOYSA-N 395.709 5.340 50 40 GKGB CCCCCCOC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 4773295 MIDIOUVFZRVKPZ-UHFFFAOYSA-N 388.379 5.417 50 40 GKGB C=C/C(=C\C=C(C)C)NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1Cl 4892688 ZHQHOWNYLPRALK-SPROSFARSA-N 381.690 5.706 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1 5897230 TYWGSJRWHTVAMJ-QGOAFFKASA-N 379.891 5.184 50 40 GKGB Cc1ccc(C(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)cc1 6566582 MEPQWIWUTBGCFS-CVKSISIWSA-N 382.385 5.695 50 40 GKGB Cc1ccc(/N=C2\SCC(CCl)=Nc3c(C#N)c4ccccn4c32)cc1 32603884 PIOHWSBVHWNCME-GFMRDNFCSA-N 378.888 5.256 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc(C)cc2)c1 408810840 UXOXOJWCQAQBIH-KGENOOAVSA-N 398.462 5.128 50 40 GKGB CC(/C=N/NC(=O)c1cc(C2CC2)nc2ccccc12)=C\c1ccc(C(C)C)cc1 2317684 FETYVQWYLDKKEU-DXSSFCHOSA-N 397.522 6.055 50 40 GKGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 3251357 VHTNQCKGWSNIKE-PCLIKHOPSA-N 391.902 5.130 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)cc1 59281482 RIBDIZBHSOCURJ-LFIBNONCSA-N 384.863 5.072 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)c1 408549268 RSUNAOYCMRSGMM-QQXSKIMKSA-N 376.503 6.928 50 40 GKGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)c(OC(C)C)c1 408598677 IFENBLIAXKXIJF-MFKUBSTISA-N 390.483 5.178 50 40 GKGB C/C(=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccccc1Cl 4993425 PYVYEKAPQAZTLK-IWIPYMOSSA-N 394.906 5.083 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1Cl 6672713 XAPVBXXQNYPRQH-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 7348049 IKMBVLMDVZZYGV-LDADJPATSA-N 388.496 5.362 50 40 GKGB O=C(Cc1ccccc1)N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1 199418035 SKGJXXCQZNOPLU-NJNXFGOHSA-N 383.278 5.105 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 260568320 OECOEPSOKCKNRJ-SYERDGIWSA-N 378.947 6.905 50 40 GKGB Cc1cccc(C(=O)N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)c1 408605163 XDBHNPCEIBZHIM-MXAYSNPKSA-N 396.849 5.130 50 40 GKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Cl 408743553 GPSMTZZIXQXZNX-ZSOIEALJSA-N 375.255 5.246 50 40 GKGB N#CC(C#N)=C(Nc1ccc(Cl)cc1Cl)SCC(=O)c1ccccc1 2266265 XUZAINKXLCPEPM-UHFFFAOYSA-N 388.279 5.280 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccccc1 4473538 COOBSWLACIUXQM-DEDYPNTBSA-N 395.462 5.523 50 40 GKGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 6467710 HNFXSTYLKPYZAN-MRSJDWDVSA-N 390.508 5.251 50 40 GKGB CC/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccccc1 15134849 MIHJUJWNZBSVRM-XTCLZLMSSA-N 394.559 5.710 50 40 GKGB CC(C)c1ccc(NC(=O)C(=O)NN=C2CCCCCCCCCCC2)cc1 59515726 FELYWBZNVFCCML-UHFFFAOYSA-N 385.552 5.525 50 40 GKGB O=C(c1ccccc1)N(Nc1ccccc1)c1ccc(/N=N\c2ccccc2)cc1 100368376 OYXUJHKHIKVGJS-RQZHXJHFSA-N 392.462 6.776 50 40 GKGB CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccccc1C 217708448 KJOSUBZGOBLGHL-UHFFFAOYSA-N 383.669 5.114 50 40 GKGB Cc1ccccc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408818697 QEESYTUFQOAXEI-IMRQLAEWSA-N 393.490 5.525 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)cc1Cl 408819121 YHBGYGBCVFHRDH-OVCLIPMQSA-N 389.282 5.635 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl 408863711 OSTNRLJOYZQEHH-FSJBWODESA-N 386.282 5.165 50 40 GKGB Cc1cc(/C=C(\C#N)c2cccc(F)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 409394153 WOHZFEJXPRZSKO-RQZCQDPDSA-N 385.269 6.604 50 40 GKGB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N\NC(=O)C[N+](C)(C)C 5640236 YYSKFWJSNVCJED-XYKIQLICSA-O 399.386 5.155 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)c1 18173414 VVZCKFWDIFDCGA-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 58822934 YVIPUCHQBQVPQZ-XNTDXEJSSA-N 380.806 5.593 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 59266351 SORHOSVBWCDHOB-HAHDFKILSA-N 396.490 5.682 50 40 GKGB c1ccc(CSC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102586070 WZMLBTQFNCOIJD-UHFFFAOYSA-N 399.519 5.871 50 40 GKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2ccccc2F)c1C 107803986 LJVPAIWAZIEYAL-BOPFTXTBSA-N 391.402 5.214 50 40 GKGB Cn1c(CO[Si](C)(C)C(C)(C)C)cc2c(Cl)c(Br)ccc21 206169369 VCRJIEVKRPYYQQ-UHFFFAOYSA-N 388.809 6.116 50 40 GKGB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C(/C#N)c1nc2ccccc2[nH]1 408996251 CQJLGPAIQUYNKQ-RGEXLXHISA-N 389.462 5.583 50 40 GKGB CC(C)C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1 14921534 WLFQIEUSJCOLFD-CZSVHLHGSA-N 396.534 5.559 50 40 GKGB Cc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C 33460225 JMZVXLQAJIDDIF-YSMPRRRNSA-N 397.482 5.106 50 40 GKGB CCCCC/C=C/[C@H](CCCCCCC/C=C/C=C/C(=O)NCC(C)C)OO 225453864 SWLNXMJZQXZBCB-JRBWKHRZSA-N 393.612 6.596 50 40 GKGB biogenic,in-vitro CCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 408527729 CKUIWXCYBYMJPX-PTNGSMBKSA-N 389.282 5.718 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408583124 RSWIEJRQEVSHKG-XSFVSMFZSA-N 386.407 5.247 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(Cl)c1 408801015 REHVTBPXOOVAGL-OVCLIPMQSA-N 389.282 5.635 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)cc1 408882467 PZSAJFAVPXYAAU-PXLXIMEGSA-N 384.454 5.525 50 40 GKGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1 408955115 WHVQLTZAPOJHPB-QINSGFPZSA-N 382.294 5.914 50 40 GKGB O=C(N/N=C/c1cccc2ccccc12)c1sc2cc(Cl)ccc2c1Cl 408971490 GHPASKCUPZGAHG-FOKLQQMPSA-N 399.302 6.125 50 40 GKGB N#CC1=C(N)OC2=C(CC/C2=C\c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 705833 CBGMIOSUEWUDCY-WLEBTQASSA-N 395.289 5.933 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(F)c2)c1C 4711019 FJCRRFXQMAFDPU-DEDYPNTBSA-N 387.458 5.341 50 40 GKGB Cc1c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1 6571264 PTZVYXFYBRNUTE-QNGOZBTKSA-N 393.446 5.970 50 40 GKGB Cc1ccsc1/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 12437323 QAYSYKZJIHVGAK-NTEUORMPSA-N 376.462 5.351 50 40 GKGB Cc1cc(OC(=O)OC(C)(C)C)ccc1O[C@H](CCCl)c1ccccc1 22054865 JXQIUZIOVBMPFD-LJQANCHMSA-N 376.880 6.058 50 40 GKGB in-vitro CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 59117313 HWAPZRVTXAUKBY-NTCAYCPXSA-N 389.282 5.718 50 40 GKGB CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(F)cc2)cs1 100600977 ZPDKLVYOYDOHHZ-QINSGFPZSA-N 393.443 5.102 50 40 GKGB COc1cc(/C=N\c2ccc(Cl)cc2)ccc1N(CCCl)CCCl 104079025 OPNRUMJNOKPWQZ-XKZIYDEJSA-N 385.722 5.383 50 40 GKGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)cc1Cl 252488067 IISBGGMEMPDSAF-LFIBNONCSA-N 392.842 5.463 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1cccc(Cl)c1Cl 408568833 WYJLRQPKSRHXOP-ODLFYWEKSA-N 392.289 6.337 50 40 GKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2Cl)c(Cl)c1 408741616 QXDLVPSXTNTQFC-FSJBWODESA-N 386.282 5.165 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Cl)c2)cc1Cl 408982114 FXGYXHHJPLMZRB-WCIBSUBMSA-N 381.646 5.207 50 40 GKGB O=C(CCCCBr)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361109 QYNGYZBYXZBDJW-UHFFFAOYSA-N 377.122 5.472 50 40 GKGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3ccc4cc(Br)ccc4c32)cc1 692214 KASDNHVIDRNQIC-IBGZPJMESA-N 391.268 5.129 50 40 GKGB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 4025872 NJHIQSIODLRTDP-QNBBBSCBSA-N 391.559 5.376 50 40 GKGB biogenic CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 5978435 VRRBRJAUEVIGIK-LGMDPLHJSA-N 398.890 5.463 50 40 GKGB CCOc1cc(Br)c(/C=C(/C#N)c2ccccc2F)cc1OC 6350874 IJNNRLNRWYSZRY-JYRVWZFOSA-N 376.225 5.060 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCC 408551173 LXANSSKPKAIOLI-IWIPYMOSSA-N 383.491 6.430 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 408581499 XJIZWOAPEOZFDA-GZTJUZNOSA-N 398.264 6.776 50 40 GKGB CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 4174923 DUNOUKKAWSZJGU-STZFKDTASA-N 388.536 6.471 50 40 GKGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1F 34758892 FJGPLULXZHEMFB-YHYXMXQVSA-N 397.041 5.120 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)Nc3ccccc3)cc21 223505061 IACIFXZKEFQKBE-MYYYXRDXSA-N 390.531 5.561 50 40 GKGB CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 408540105 NBRWBGKWXKSUMK-QGOAFFKASA-N 384.863 6.271 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1ccc(C(=O)O)cc1 408544849 XXOZNOZYLLBQQI-WJDWOHSUSA-N 393.240 5.002 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1 408586037 AWHYLYZYJJSJOR-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 408787476 AQAIMKBIPKMGFG-RIYZIHGNSA-N 375.255 5.246 50 40 GKGB CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1754725 OOGSGUVFCOSPKB-SFQUDFHCSA-N 390.468 5.818 50 40 GKGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 5880581 VBQYLCCSMQYADJ-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB O=C(CCCC[C@H]1CCSS1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 79193140 VTEPEJKQYXEPCH-YOEHRIQHSA-N 391.562 5.067 50 40 GKGB biogenic Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C 208210735 PGEVYLPHJYKKMQ-MMTYYTLLSA-N 383.923 5.134 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 209387556 QVXJBPJBZMTIEM-SSZFMOIBSA-N 392.842 5.544 50 40 GKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408771241 FCWXGDQVNREFKJ-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1840914 GJQSLPIABVRWGL-FOWTUZBSSA-N 390.468 5.818 50 40 GKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1sc2ccccc2c1Cl 3261016 BZWRQDVRCNOQOJ-IFRROFPPSA-N 399.686 5.331 50 40 GKGB Cc1cc(C)cc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 4806250 XGPKFYFLRSIYBU-YBEGLDIGSA-N 375.453 5.132 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1c1cccc2ccccc12 5491545 NDSYFMJFXPHYMY-IBGZPJMESA-N 398.853 5.101 50 40 GKGB CCCCCCOc1ccccc1C(=O)N/N=C(C)\C=C\c1ccccc1F 6397181 FYXHZJBNTSDURG-OGZYPOKRSA-N 382.479 5.604 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl 33617676 HOUBLQYHLYEYML-YBEGLDIGSA-N 385.269 6.604 50 40 GKGB CCCCCCCCCCCCCC[C@@H](CBr)[n+]1ccccc1 100924671 QTBJBSAWRHSIEG-NRFANRHFSA-N 383.438 7.001 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/N=N\c1cccc2ccccc12 104184687 VPZPGRCUIGMTRB-IZHYLOQSSA-N 386.326 6.848 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCc3ccccc3)c2C)cc1Cl 408587045 DRNGGLDDYGFXSN-MFKUBSTISA-N 393.918 5.139 50 40 GKGB N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408893363 FGKGEWHWFARUTH-UKTHLTGXSA-N 383.234 5.398 50 40 GKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2)cc1 409232283 NRCNYMZPLIALOM-OEAKJJBVSA-N 380.900 5.564 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2Br)cc1 1912701 ZHHFBNGASFBACZ-FOWTUZBSSA-N 399.288 5.092 50 40 GKGB CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)CCl 3886729 GWJHLCSQTMNEJJ-UHFFFAOYSA-N 392.691 5.076 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1 3946879 IOXWPRNLZHPORU-CPNJWEJPSA-N 381.435 5.215 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@H]1CCc1ccccc1 5409272 PUFWUCYKVVOPCZ-FQEVSTJZSA-N 392.462 5.033 50 40 GKGB CCCC[C@H](I)C[C@](F)(OC(F)(F)F)C(F)(F)F 16125624 QQQSHSLFOZIZQR-BQBZGAKWSA-N 396.084 5.135 50 40 GKGB CCC[C@@H](Br)C(=O)Nc1nc2c(CC)cc(Cl)cc2s1 20132650 CMVHMKBZILGYEI-SNVBAGLBSA-N 375.719 5.014 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2ccccc2o1 59304645 CKTPSNWGOXDQMT-FOKLQQMPSA-N 399.233 5.764 50 40 GKGB O=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226327499 YGYKCRLUJMEWMJ-UHFFFAOYSA-N 384.473 6.258 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3C)o2)cc1 252506354 WACDFWGMJRGUGN-GHRIWEEISA-N 390.870 6.017 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1OC 408579373 GKFPVWLSWFSXGK-DEDYPNTBSA-N 389.426 5.486 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(/N=N/c2ccccc2)ccc1O 408745654 USXFIYZZQZAKHA-GCIFIVARSA-N 382.423 5.662 50 40 GKGB Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1 409054287 UHKHXCKMZNLUCA-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB CC[C@@H](C)/C(C)=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 4965140 KCEULTKIUOAHCQ-MGONWTETSA-N 397.569 5.740 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 16227874 GNTISIHCDVFFAW-RVDMUPIBSA-N 396.368 5.413 50 40 GKGB C/C(=N/NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc(Cl)cc1 34697325 DVAXQDKFDIKEOF-OYKKKHCWSA-N 383.854 5.041 50 40 GKGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 223171404 UZQPKXJZYGXIOJ-BKUYFWCQSA-N 399.494 5.265 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Cl)c1 408599409 UKBFAJDKYSJLRT-ODLFYWEKSA-N 390.826 5.891 50 40 GKGB CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)cc1 2109760 UDDRWPNMSQPYCX-MFKUBSTISA-N 399.519 5.680 50 40 GKGB N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)c1nc2ccccc2s1 5588791 CXCXWVCKMUVOSL-QINSGFPZSA-N 384.489 5.737 50 40 GKGB CC/C(=N/NC(=O)[C@H](CC)Sc1nc2ccccc2s1)c1ccccc1 5953871 GSRKZWPPKBOZEB-WPGBELRESA-N 383.542 5.098 50 40 GKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 6438702 KBMUSLQCILCGTL-RQZCQDPDSA-N 392.480 5.209 50 40 GKGB C[C@]12CC=CC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@H]12 253501200 NJHIQSIODLRTDP-MLYVQTIXSA-N 391.559 5.376 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1 408549002 PENBBFRUMLMSMH-HZHRSRAPSA-N 382.894 6.965 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408995131 JIVUSXAYQQHXQP-FSJBWODESA-N 386.282 5.165 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)o1 409013189 MCTNEKADDMXWSR-GDNBJRDFSA-N 380.806 5.593 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)C)cc1 409191634 JUQKRZSMVOMSRK-AFUMVMLFSA-N 393.918 5.635 50 40 GKGB Cc1cc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc([N+](=O)[O-])c1C 409316480 YAFAPAMESMNXJN-MOSHPQCFSA-N 394.430 6.689 50 40 GKGB Cc1ccccc1C(=O)N/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 575444388 BFHCMDMEMZIRCF-SFQUDFHCSA-N 396.368 5.568 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C/C=C/c2ccccc2)nc1-c1ccccc1 26841427 CJEZZOAGHRBFER-NSMFRCMUSA-N 385.492 5.779 50 40 GKGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C 408812312 OLUZIMIRNDSXNG-NTEUORMPSA-N 375.255 5.246 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408872918 LINKMBCXPLLEBA-FIRSQWHBSA-N 396.918 5.195 50 40 GKGB O=C(CBr)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 1703596 NGISGKUBMNKMGS-UHFFFAOYSA-N 395.083 5.786 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl 4691204 XXVXNPJINBKVPQ-RKPNYOAGSA-N 390.708 6.344 50 40 GKGB CC(C)(C)c1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(C(C)(C)C)c1O 5726703 QARSRGTUAOTAKG-UNOMPAQXSA-N 390.527 5.211 50 40 GKGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccc2ccccc2c1 6961955 JBADJAUADFMJIX-BUVRLJJBSA-N 387.508 5.002 50 40 GKGB O=C(O)CCCCCCCCCCP(=O)(c1ccccc1)c1ccccc1 8445337 QKLYMXGFWXNKHJ-UHFFFAOYSA-N 386.472 5.596 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1 408744929 OBMUDIIKCUCADD-QNGOZBTKSA-N 399.494 5.347 50 40 GKGB CCOc1ccc(NC(=O)N/N=C\c2ccc(O[C@H](C)CC)c(Cl)c2)cc1 409019289 YPPPKQBGDBGUBK-BXSODOALSA-N 389.883 5.072 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Cl)n2)cc1OC 4807782 CMQZXFWRVKECLA-DHDCSXOGSA-N 382.872 5.545 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc2ccccc12 6496573 CSHVHJIFSBMALD-SAPNQHFASA-N 387.891 7.302 50 40 GKGB Cc1nn(Cc2cccc3ccccc23)c(Cl)c1/C=C(\C#N)c1ccccn1 16695108 BFMNRKNQSHRGIM-CPNJWEJPSA-N 384.870 5.506 50 40 GKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2[nH]1 33475993 KZUSDQBZRIHLBL-SSZFMOIBSA-N 393.475 5.541 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(C(=O)O)cc1 34714923 IBXJKIZKKKZUHO-ZROIWOOFSA-N 394.770 5.271 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 59198791 YIXFJEIGVKXLPL-MHWRWJLKSA-N 399.288 5.010 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc4ccccc4c3)cc21 208456248 QCUFVCORSPYJOW-JVWAILMASA-N 397.522 5.544 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Cl 408789774 LFTWJQXQBYOXLC-MHWRWJLKSA-N 399.277 5.113 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OC(C)C 408812655 PFHKCTWDPRCJAV-LICLKQGHSA-N 398.890 5.380 50 40 GKGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1-n1cccc1 409012322 QMERNVHQENKIRO-NLRVBDNBSA-N 397.478 5.183 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1 409172862 MCSBLDLEBJMKFJ-WSDLNYQXSA-N 397.272 5.090 50 40 GKGB O=P(Nc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1593126 YTFMITFIXCGUAN-UHFFFAOYSA-N 396.641 5.988 50 40 GKGB O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1cccc2ccccc12 14134893 ZIEHWXRENUNICC-OVVQPSECSA-N 394.474 5.112 50 40 GKGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(Cl)cc4)nc(O)c23)C1 33856999 ONZHGSQTDGPEIT-KWJWQAOWSA-N 381.888 5.239 50 40 GKGB O=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1cc(-c2ccccc2Cl)nc2ccccc12 33960881 BZPHKHGNPSCJQQ-AASREJMQSA-N 389.886 5.461 50 40 GKGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 38199718 RIBYVZKNVKLIHK-FOWTUZBSSA-N 389.524 5.342 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)o1 408726471 BTUBDCMPUDGRJX-WYMPLXKRSA-N 391.858 5.008 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408735900 ZCFZOFGEUSCRDV-SFQUDFHCSA-N 390.870 5.746 50 40 GKGB CCCCCCCCCCCCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C 627274952 YVPLUQQEYHCVNJ-UHFFFAOYSA-N 394.685 7.803 50 40 GKGB CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4063779 MTFBYGCPJGDMDQ-RVDMUPIBSA-N 394.887 5.398 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 4770276 GHCNPMRUHRMFBV-QINSGFPZSA-N 378.815 5.154 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 6545738 UMNPVMPEFLNHPK-STZFKDTASA-N 399.494 6.364 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12 9200613 NIDJSPZTOZTOQQ-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccccc1Cl 13645716 AVINOKJXPAOPNC-OYKKKHCWSA-N 388.858 5.037 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)[nH]c2c1 33684214 BBBUJUUFFCNNEU-LDADJPATSA-N 397.438 5.251 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)c1 59201752 BVXNYUAZSRNZQJ-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB O=C(CSc1nc2ccccc2o1)NN=C1CCCCCCCCCCC1 59417031 ORLFNBZWZOCGRV-UHFFFAOYSA-N 387.549 5.697 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccccc1Cl 59517281 UIUCZMQCHOUQSI-SRZZPIQSSA-N 391.279 5.502 50 40 GKGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1sc2cc(F)ccc2c1Cl 102996138 OOZQZPSTRWEXJB-PQGCPXRGSA-N 376.884 5.402 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(F)cc3)c2)cc1OC 408579380 GOMJTVLTKYJREU-UDWIEESQSA-N 389.426 5.486 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1 408791884 DTNYEOAQPPZYNI-CPNJWEJPSA-N 388.854 5.465 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 409008095 TVNMCDFZWOOQIA-KGENOOAVSA-N 399.494 5.265 50 40 GKGB CC[Si](CC)(CC)OC1=C([O])N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 1560411744 NSDXZOHHGOTBJE-INIZCTEOSA-N 376.549 5.600 50 40 GKGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 5739027 VQZISHGSXRAFSD-ZXCVBSDHSA-N 386.282 5.097 50 40 GKGB CC(=C\c1ccccc1)/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 16890243 PLXGTHCBWDSHHR-XZUNHOGQSA-N 396.471 5.927 50 40 GKGB Cc1csc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 26642202 NFYSPTCWMCREOS-NTUHNPAUSA-N 387.327 6.007 50 40 GKGB C/C(=C\C(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(-c2ccccc2)cc1 59489073 NEPIAEJTPSFZRB-FOCLMDBBSA-N 390.870 5.028 50 40 GKGB Cc1cc2nc(/C(C#N)=C\c3ccccc3OCc3ccc(F)cc3)[nH]c2cc1C 408541624 CNDXAUXPNJVOEA-MOSHPQCFSA-N 397.453 5.962 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl 408579734 JVOANPJXTFBVAO-WUXMJOGZSA-N 399.104 6.929 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408924747 OCTAPZCCJPXSBL-UXBLZVDNSA-N 396.617 5.101 50 40 GKGB CC(C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl 409022835 UFWBHGHJJNCOCH-YVNNLAQVSA-N 391.254 5.291 50 40 GKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 409246123 FHMRIHRGMBPDAD-YSMPRRRNSA-N 391.490 5.049 50 40 GKGB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CCl 1465908 LNSLXBKIPUOSNU-UHFFFAOYSA-N 379.909 5.067 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1 4155682 OLYPNVVMCDZFME-HZHRSRAPSA-N 393.314 5.310 50 40 GKGB CC1CCC(=NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 5445398 JWZKTIOIKQYNCU-UHFFFAOYSA-N 391.902 5.851 50 40 GKGB CSc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 58915971 WVCKIHRKNIGYCT-HZHRSRAPSA-N 392.549 5.465 50 40 GKGB CCn1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 96577631 JDCCZMUINUNSMI-XGICHPGQSA-N 375.284 5.397 50 40 GKGB CC1(C)[C@H]2CC[C@@H](C2)[C@]1(Cl)CSC(=O)S[C@H](Cl)C(Cl)Cl 104205831 HWKTUDBREZNAGP-FVCQVCJYSA-N 396.232 6.375 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1ccc(Cl)c(Cl)c1 408586484 NCPHPLLNWVFVHP-ODLFYWEKSA-N 380.274 6.637 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 408587462 GBYROQFPUOWNDN-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc12 408801467 AVKURINDPMGKEO-QGOAFFKASA-N 388.442 5.559 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408819261 YWEWXDQMOSYVBQ-HMMYKYKNSA-N 380.447 5.014 50 40 GKGB Cc1cc(C)cc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 4815339 LZWBMJHOVVQBKF-ATVHPVEESA-N 399.475 5.510 50 40 GKGB COc1ccc(/C=N/NC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccccc2)cc1 5916725 OYQGODMECBRYTC-YZSQISJMSA-N 395.462 5.121 50 40 GKGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc2ccccc2c1 6247744 HNBPAODTONSAAK-HMAPJEAMSA-N 384.479 5.521 50 40 GKGB CC/C(=N\NC(=O)[C@@H](CC)Sc1nc2ccccc2s1)c1ccccc1 6830077 GSRKZWPPKBOZEB-HRKXOBMBSA-N 383.542 5.098 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1 58822997 DEVRATGVJSALHO-XMHGGMMESA-N 388.854 5.465 50 40 GKGB C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c2ccccc21 408777300 YBWAKMNSDQTBJW-RGEXLXHISA-N 399.494 5.469 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)c(C)c1 408794691 AUSZFAHIGBRVMD-XSFVSMFZSA-N 384.479 5.790 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1F 408870114 VKQLTZOBXSVUBH-CJLVFECKSA-N 384.454 5.525 50 40 GKGB N#C[C@H](C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1 409204961 DRHVLCDUKDRBLQ-SOAGAIGUSA-N 398.249 5.011 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1 3254372 LKOWHTTZFRDAGA-LFIBNONCSA-N 399.288 5.030 50 40 GKGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1 15938722 XTXQIYAFNFCRQH-LFVJCYFKSA-N 384.907 5.307 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OC 16412209 YDIVOHAHSCPJEH-MHWRWJLKSA-N 392.842 5.056 50 40 GKGB CCCCCCCCCCCCCC(=O)OCCOCCOCCCl 100931385 OLSJTORHVBKEQR-UHFFFAOYSA-N 378.981 5.503 50 40 GKGB CCCCCCCCCCC[C@@H]1C(C#N)=C(N)O[C@@H]2c3ccccc3OC(=O)[C@@H]12 102609893 DPRNSWTVQWKXHM-VOQZNFBZSA-N 396.531 5.524 50 40 GKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)c(C)c1 408545446 YVEAMXYMZWWAEB-QRVIBDJDSA-N 384.479 5.782 50 40 GKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408800743 PBWODVRMRONZHY-NTEUORMPSA-N 375.255 5.326 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408807733 HMGJTNRMTBGKGQ-GXDHUFHOSA-N 375.255 5.328 50 40 GKGB O=C(N/N=C/c1ccc2ccccc2c1O)c1sc2cc(F)ccc2c1Cl 662526 GQMDWWAEESRFAS-AUEPDCJTSA-N 398.846 5.317 50 40 GKGB C[C@H](/C=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 4150417 UTKRTTKHINQSJI-CYGNYLSHSA-N 379.287 5.058 50 40 GKGB Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2C=C(C#N)C#N)c1 4511225 PEHZKGHICHNWRW-UHFFFAOYSA-N 380.875 5.660 50 40 GKGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 5720431 YDPOKDVJSDGKRR-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 207829717 BEYXCHTWVBGXAY-STZFKDTASA-N 398.462 5.128 50 40 GKGB Cc1cc2c(cc1/C=N\NC(=O)Nc1ccccc1)[C@H](C)CC(C)(C)N2C(C)C 223594449 FLBMTLAQJOBULM-SDPDQUOZSA-N 392.547 5.651 50 40 GKGB Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccccc1 3058765 MZKOSIJEDRKMJY-ZNTNEXAZSA-N 399.519 5.714 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1ccccc1 4723210 LYPVGMCXMUNOMO-MHWRWJLKSA-N 397.261 5.477 50 40 GKGB Cc1c([C@H]2[C@H](CCNC(=O)CCl)C2(C)C)c2ccc3ccccc3c2n1C 5249817 FDDZAZIEQHYAGN-GHTZIAJQSA-N 382.935 5.125 50 40 GKGB N#C/C(=C\Nc1ccc2ccccc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 13773531 DSQXZKZHZBDNEO-QGOAFFKASA-N 398.447 5.848 50 40 GKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)cc1 107604379 UNKMJJUSVAHUKS-HAHDFKILSA-N 399.494 6.409 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OC(C)C 209494101 GUIQORXMTHVVGH-RQZCQDPDSA-N 386.289 5.618 50 40 GKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H]2Br 6763624 PLHCLBIFHOAOBA-WQVCFCJDSA-N 391.136 5.522 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1OC 12806097 VLTUBQGSSMVQFH-GZTJUZNOSA-N 392.480 5.209 50 40 GKGB CCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C#N)=C(c2ccccc2)N1 20348099 DHKFGJMKLPNFFI-FQEVSTJZSA-N 391.927 5.840 50 40 GKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 39884465 CYVBGVZSIHSYJO-QGOAFFKASA-N 390.870 6.269 50 40 GKGB N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2[C@H]1c1cccs1 102586993 JLYVQYWOJFBJAK-LJQANCHMSA-N 378.522 5.951 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3C)o2)c1 252491822 LVLBQONOAGYOPN-FOWTUZBSSA-N 376.843 5.763 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)cc1 408811442 NSEIZJBPFQJVGS-LFIBNONCSA-N 384.863 5.072 50 40 GKGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc(Cl)c1 408863861 RKBJTEBTDXYYGJ-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(F)c1 409075989 ZYYLLNJRYPEUOZ-YDZHTSKRSA-N 384.863 5.394 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3C)n2)c1 2276242 CHFVZONVDHMYOE-PTNGSMBKSA-N 381.888 5.757 50 40 GKGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 4714639 BDJAOZYBJLPGFY-CVLFLDGLSA-N 398.531 5.765 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1 100601029 OBVVOPKDTXWFGC-UVTDQMKNSA-N 380.404 5.142 50 40 GKGB C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2CC[C@]1(C)C2(C)C 102889174 LSQKTLIPGPORGO-QFWMQHCXSA-N 390.564 5.610 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl 408816161 RDJKQFQKQWTITC-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccn1-c1ccc(Cl)cc1 408851410 JVDASLVSDRLQBX-ZDLGFXPLSA-N 397.869 5.139 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408872920 LINKMBCXPLLEBA-YRZUKJSISA-N 396.918 5.195 50 40 GKGB CCSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 2357778 PBRAKWJRACKTIS-OAHLLOKOSA-N 379.312 5.176 50 40 GKGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc3ccccc3c2)cs1 100843793 UQBHWXOLPXJZTM-CPNJWEJPSA-N 396.475 5.039 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)cc2)cc1 408599535 VVVISCLLGNUXRC-KGENOOAVSA-N 397.503 6.107 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408794068 HTAQAWJDGOOUKU-RIYZIHGNSA-N 375.255 5.246 50 40 GKGB N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2cccc3ccccc23)cs1 2203756 FGZTVDXSROXJBU-NTCAYCPXSA-N 389.430 6.218 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1 5013335 FBLJJRUSEXDALF-NTCAYCPXSA-N 385.448 5.410 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccccc1F 6439570 LZOLVEFBRSTNSM-UYRXBGFRSA-N 391.417 6.007 50 40 GKGB C=CCOc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1OC 33735216 ZPYDFLBRTDATAN-ZROIWOOFSA-N 388.236 5.226 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408579999 MLCHCTMEJAPJQP-XDHOZWIPSA-N 394.301 6.945 50 40 GKGB COc1ccc(CC(=O)N/N=C/c2c3ccccc3c(C)c3ccccc23)cc1 408724349 BZMUPCMBUJQXFR-WGOQTCKBSA-N 382.463 5.003 50 40 GKGB N#C/C(=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccccn1 16406994 VORLTFRQFRQBOS-RVDMUPIBSA-N 377.787 5.500 50 40 GKGB O=C(N/N=C\c1cccc(Cl)c1Cl)c1cc2c(ccc3ccccc32)o1 35189680 QZEPDHJHYMECEE-KSEXSDGBSA-N 383.234 5.657 50 40 GKGB CC(C)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 59473735 HZKSUWVIYCQUFK-OOXYOOLHSA-N 390.936 5.006 50 40 GKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1Cl 100106691 ZVMVAAHFNKRHEC-ZROIWOOFSA-N 395.871 5.477 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)cc2)c1 408743897 CGJDZWFTALMCQJ-ZHZULCJRSA-N 386.426 5.259 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCO2 409362908 KKLUQXBZNKKEDP-QPEQYQDCSA-N 384.218 6.046 50 40 GKGB N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc(-c2ccc(Cl)cc2)cs1 1305477 OODLARJZNDPGPR-SDNWHVSQSA-N 395.871 5.211 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 12436828 NONSTWNKUQCGDK-RGEXLXHISA-N 394.902 5.275 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc2ccccc2c1 39884796 LEONUBYMCKVNCM-XMHGGMMESA-N 398.849 6.299 50 40 GKGB Cc1ccc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 408578620 AECLBVOILCXBGB-JJIBRWJFSA-N 375.471 6.791 50 40 GKGB N#C/C(=C\c1ccccc1OCc1cccc(F)c1)c1ccc(Cl)cc1Cl 408580638 QFPBYDDZPUKVLQ-GZTJUZNOSA-N 398.264 6.776 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 408790117 TXQYMELPBPQNPR-WUXMJOGZSA-N 395.673 5.591 50 40 GKGB CC[C@H](c1ccc(O)c(CNCCCl)c1)[C@@H](CC)c1ccc(OC)cc1 1681165 KBWOPIAJIUGGND-LEWJYISDSA-N 375.940 5.417 50 40 GKGB COc1ccccc1/C=C(/C#N)c1nc(-c2cccc(Br)c2)cs1 4174896 WWCWPMSCEDEKIJ-DHDCSXOGSA-N 397.297 5.645 50 40 GKGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc2ccccc2c1 4897453 CCTULKJFAKNTFG-UCQKPKSFSA-N 391.521 5.082 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 5792356 DUWMSIQACGJJIZ-RVDMUPIBSA-N 397.261 6.108 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3cccc4ccccc34)n2)c1 6414665 HYFHGPLSEHQTSG-NBVRZTHBSA-N 383.476 5.948 50 40 GKGB N#CC(C#N)=C1C=CC=CN1/C(=C/c1ccccc1Cl)C(=O)c1cccs1 84494381 VTKPVDVIETWJIC-XDHOZWIPSA-N 389.867 5.312 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 107733786 IKUDEOHNHZJHHB-PTNGSMBKSA-N 383.329 5.468 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc21 208452418 KXCVSHKTEQSLEM-NDENLUEZSA-N 385.511 5.481 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408725607 MOONGCVCXJJICZ-QVVMHPROSA-N 391.298 5.530 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2C)c1 408766346 UMJXRPREUAQODX-UNOMPAQXSA-N 389.886 5.602 50 40 GKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 408775282 RZNQNAOHKIYITM-GHXNOFRVSA-N 395.673 5.591 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2ccccc2c1 409020412 OZSMYAMNFOIUAI-OVVQPSECSA-N 396.490 5.936 50 40 GKGB Cc1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c2ccccc2n1 1022183 DPOGHOJTHKZAQD-PCLIKHOPSA-N 381.435 5.099 50 40 GKGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCC(C)C)cc2)cc1 3298032 JCKBSEVZNNVMLE-OQKWZONESA-N 390.527 6.000 50 40 GKGB CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2sc3ccccc3c2Cl)c1 4720777 DOYSCYOQYVYHCN-SSDVNMTOSA-N 386.904 5.322 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)c(Cl)c1 107947217 LFYGDRUATXKKJI-MFOYZWKCSA-N 395.821 5.859 50 40 GKGB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1807717 JRGPHHHWMLPUIN-DTVDJLOLSA-N 394.858 5.050 50 40 GKGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc2ccccc2c1 4719782 BVDYKXYPNZACHG-YZSQISJMSA-N 380.447 5.036 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1F 6238005 KKQIIEFZCPWNSD-JWGURIENSA-N 379.434 6.622 50 40 GKGB CCc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 6711369 HJHWZJFOFYMJNY-FOWTUZBSSA-N 376.441 5.257 50 40 GKGB Cc1ccccc1Cn1c(C)c(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9202586 LFMGPBHXUXXXDH-JVWAILMASA-N 395.506 5.379 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C)c1 20194774 RCECNOBYGZFXNH-AFUMVMLFSA-N 393.918 5.057 50 40 GKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 818729 QWFKAOZZWAMGDL-LJQANCHMSA-N 394.858 5.051 50 40 GKGB CC(C)COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1 948273 MJQYYEVZIAGBKF-FYJGNVAPSA-N 390.483 5.168 50 40 GKGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1cccc(Oc2ccccc2)c1 3230011 ZQQZJBCVJQRTTK-NRFANRHFSA-N 396.471 5.912 50 40 GKGB O=C(CNc1ccccc1Cl)N/N=C/c1c2ccccc2cc2ccccc12 4700038 LRDPJTJPKYZRRR-VULFUBBASA-N 387.870 5.209 50 40 GKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccccc1 5774396 XREZPBRBLSASSR-JLHYYAGUSA-N 393.786 5.054 50 40 GKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408804861 ZTVIWARCGAWPID-JMDRUWHMSA-N 396.575 5.589 50 40 GKGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccsc2)C2=C1CCCC2=O 1031669 UWNJDUIFNBUBBK-IBGZPJMESA-N 395.915 5.015 50 40 GKGB Cc1cc(C)c(/N=C/c2ccc3c(c2)[C@@H](c2ccccc2)C(C#N)=C(N)O3)c(C)c1 2294959 APADYKBPUWQVBA-PKEXHZLISA-N 393.490 5.581 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1 6209572 KBENZAUYBLEHAB-CJLVFECKSA-N 382.463 5.374 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2C(C)=CC1(C)C 208502603 XHEXOVFRUGLICL-MOSHPQCFSA-N 385.511 5.563 50 40 GKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(Oc2ccccc2)c1 4499581 UHTINSAIBMKROH-CVKSISIWSA-N 398.384 5.191 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccccc34)n2)cc1C 6421480 NSXITLCOKNACSF-XSFVSMFZSA-N 381.504 6.557 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1C(C)C 33386429 JZSHUBDZUDTFBB-LICLKQGHSA-N 392.528 5.044 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1C 59137071 DLEDKICTEKGXFW-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1 408792609 LLEHGZSVIDAZGM-NTCAYCPXSA-N 394.883 5.938 50 40 GKGB CC(C)OC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1 5125761 OOQSQUPUBWADDP-QGOAFFKASA-N 397.434 5.452 50 40 GKGB N#C/C(=C/c1cccn1Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc12 6496629 UEVSKIWPPRMNAJ-HKWRFOASSA-N 379.419 5.662 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)cc(C)c3)n2)cc1OC 13773801 RCFDHNJXOUCMFI-SFQUDFHCSA-N 391.496 5.421 50 40 GKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 59201306 TVFDIZWPLXVUFS-MHWRWJLKSA-N 399.288 5.010 50 40 GKGB N#C/C(=C/c1ccc2ccccc2c1)S(=O)(=O)c1cc(Cl)ccc1Cl 97990706 BWOJACQZXCWFRS-YVLHZVERSA-N 388.275 5.485 50 40 GKGB O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)c1cc(-c2ccccc2Cl)nc2ccccc12 102439502 BZPHKHGNPSCJQQ-FMUOTUCFSA-N 389.886 5.461 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(C#N)c1 408568646 VSECJGSUYDAOOT-MYYYXRDXSA-N 386.454 6.355 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl 408580501 PVNRDTWXEDSAKJ-WUXMJOGZSA-N 383.072 5.829 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 408805115 DYGLHUXLKSTWTC-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NC1CCCC1 409190255 QRRMVLYLWSULRY-XFXZXTDPSA-N 375.255 5.219 50 40 GKGB CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 4814956 IDIYUKPSRDFZAF-DTQAZKPQSA-N 377.469 5.194 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(Br)cc3)n2)c(C)c1 4853309 GDWSIBRGIDFWDX-YBEGLDIGSA-N 395.325 6.254 50 40 GKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(Oc2ccc(Cl)cc2)c1 5446625 RDSOIRJYAXLBNM-FRCFMQFSSA-N 394.902 5.734 50 40 GKGB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)[C@H](C)Cl 5953740 QACICMOJFWYBQE-VIFPVBQESA-N 399.990 5.814 50 40 GKGB C=CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 15303809 AINPHGSBIXMRCE-UNOMPAQXSA-N 388.492 5.756 50 40 GKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 20197403 HOXMKWIUBIJCAR-OEAKJJBVSA-N 382.847 5.153 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1 58822913 HHXQFASSIMTWTI-HKWRFOASSA-N 377.447 5.235 50 40 GKGB CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 408772334 OFVVDRCOJPFCNI-STZFKDTASA-N 393.490 5.274 50 40 GKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl 408789356 PDNRTYVFIVRKTM-XNTDXEJSSA-N 387.266 5.412 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)c1C 408883405 RBPRZLAPFOLRAY-HYARGMPZSA-N 384.454 5.579 50 40 GKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCCC(C)C)cc2)cc1 409121503 YERAUWROECSEFE-FSTGKYBXSA-N 384.545 5.051 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3F)n2)cc1 4135164 BJBMYKZXMJEGDE-SDNWHVSQSA-N 383.423 5.464 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 5773739 WZVRNHDIVJAUCL-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc2ccccc2[nH]1 33395777 APFPNZUYGYATPB-BENRWUELSA-N 380.234 6.194 50 40 GKGB C=C(Nc1ccccc1N)/C(C#N)=C/c1c(Cl)ccc([N+](=O)[O-])c1Cl 108311648 WYYNTXFGCFQZNK-DHZHZOJOSA-N 375.215 5.017 50 40 GKGB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)CBr)CC[C@]3(C)[C@H]1CC2 118925359 VJRJIJYWEUTVEU-ZKHIMWLXSA-N 395.381 5.646 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2[C@H](C)CC1(C)C 260568043 NEPHYMPGGCDSMP-LELXDKESSA-N 378.947 6.905 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)cc1 408877109 SUGWZNBLIFAHFJ-RCCKNPSSSA-N 386.882 5.785 50 40 GKGB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSC#N 1829215 UGIWWSSBXHWYGF-UHFFFAOYSA-N 378.569 5.310 50 40 GKGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 4714692 PQBDXVHWSLBKOC-MRSJDWDVSA-N 390.508 5.251 50 40 GKGB CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C(C)/C=C/c2ccccc2)cc1 5245192 PEHAAHUSIZJUKM-HCABOSHESA-N 394.515 5.228 50 40 GKGB N#CC1=C(c2ccccc2)NC(c2ccccc2)=C(C#N)C1c1ccc(Cl)cc1 19815815 NFIMGBHWKSRURT-UHFFFAOYSA-N 393.877 5.897 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C)c1 20194404 ZOTXGDRXBPVQDC-ZMOGYAJESA-N 380.875 5.218 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Br)c3)n2)cc1 100135580 VSAJTTIUBROQKA-PTNGSMBKSA-N 396.313 5.858 50 40 GKGB CC(C)(C)c1ccc(OCC(=O)N/N=C2/CCCC[C@@H]2C2CCCCC2)cc1 103458804 WMEFGAHKQGWCTO-ONAIBIAESA-N 384.564 5.606 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc2ccccc2c1 408548926 NMYQNRCBFMCCGG-UQQQWYQISA-N 384.482 6.907 50 40 GKGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Br)cc1 408747501 OVWCANCYUNWIQQ-WQLSENKSSA-N 395.178 5.014 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 409352398 CGMORXSRSRGWOC-UYRXBGFRSA-N 380.274 6.637 50 40 GKGB O=C(c1c2ccccc2cc2ccccc12)[C@@H](Br)CBr 575356960 OQMPUMZFHCOYCI-HNNXBMFYSA-N 392.090 5.334 50 40 GKGB Cc1c(Cl)cccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 4175287 FKBVRBYQPUGOJT-GXDHUFHOSA-N 386.307 6.402 50 40 GKGB CC(C)(C)c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 4514881 PKHQCIQUXQDNFV-WSDLNYQXSA-N 399.288 5.257 50 40 GKGB N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(SC(F)F)cc1 5716815 HYBMHBFWLBNDJO-XFXZXTDPSA-N 398.356 5.566 50 40 GKGB CCOc1cc(/C=C/C#N)cc(Br)c1OCc1cccc(Cl)c1 6207239 QQYBLVZPSQDHIO-GQCTYLIASA-N 392.680 5.617 50 40 GKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2ccccc2)o1 59505809 QXVBYBDWIDYFQG-LFVJCYFKSA-N 386.476 5.277 50 40 GKGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)c1 408585161 BSQGYBWFVAUAPO-YBEGLDIGSA-N 398.245 6.104 50 40 GKGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Sc2ccc(C)cc2)cc1 409234451 WTFUQPUZCWWCHA-BUVRLJJBSA-N 390.508 5.227 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3)c2C)cc1Br 409359215 AFVRZTYJHCDVAU-NDENLUEZSA-N 391.312 6.229 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCO4)n2)c(C)c1 2317876 NYQXFIRKZKVAHK-XNTDXEJSSA-N 375.453 5.132 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 2843607 BQXZQMBAOVIXGY-CVKSISIWSA-N 399.881 5.628 50 40 GKGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2F)cs1 6829370 XUTMVVPOGXXSNT-KPKJPENVSA-N 375.255 6.320 50 40 GKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCC 107762704 GRZYVMJAWFAMNU-CXUHLZMHSA-N 395.890 5.695 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)cc2)c1 408806068 AONVHMDMELBPCY-GQGSTLHKSA-N 388.511 5.176 50 40 GKGB N#C/C(=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cccc(F)c1 2873692 LJIFTACTDFWUAU-XDHOZWIPSA-N 397.409 5.801 50 40 GKGB CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(F)cc1F 3173061 SXAREFYTDXJHBP-UHFFFAOYSA-N 391.446 6.179 50 40 GKGB O=C(CCl)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 3885283 CHKHGJBMVRVZGK-HMSRSJDVSA-N 376.934 5.171 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 4174914 SNZCDIVBHHHLSX-DHDCSXOGSA-N 397.297 5.645 50 40 GKGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)N1c2ccccc2Sc2ccccc21 4461990 SONKWJVUQSRJFR-WJDWOHSUSA-N 398.443 5.152 50 40 GKGB Cc1cc(C)c2c3c(sc2n1)C1(CCC(C(C)(C)C)CC1)C(C#N)=C(N)O3 4619906 JSDUIEMTBLOUFZ-UHFFFAOYSA-N 381.545 5.474 50 40 GKGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc12 59336090 QURCROVRRNZQHP-KAMYIIQDSA-N 397.261 5.701 50 40 GKGB CC1(C)CC(C#N)=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1 100259275 VSKDMJUVAONPAB-UHFFFAOYSA-N 398.446 5.098 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 408581512 XLYUASSSZSVGON-LDADJPATSA-N 380.274 6.637 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408798487 FOMJTEOHWYACPZ-SFQUDFHCSA-N 390.870 5.826 50 40 GKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408804865 ZTVIWARCGAWPID-YRJMRJEKSA-N 396.575 5.589 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c3ccccc3c(C)c3ccccc23)c1 408996032 COQOSQKJVVJVSY-HKWRFOASSA-N 390.486 6.464 50 40 GKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 409246307 AQZRZWRWANHWJX-OEAKJJBVSA-N 380.900 5.564 50 40 GKGB O=C(Cl)c1ccccc1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2574912 SGWYOXCDPDGCST-UHFFFAOYSA-N 380.671 5.334 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccccc2)cc1 5928218 AHMVZDNVCYAXBE-YZSQISJMSA-N 379.463 5.421 50 40 GKGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)CCn1c2ccccc2c2ccccc21 36626330 NKWVBPWMIZTCAE-QQXSKIMKSA-N 394.478 5.125 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCCCCCCCCCC1 59434265 WZRKHTMNPJHANF-UHFFFAOYSA-N 391.943 5.364 50 40 GKGB CCOc1ccc(Cl)cc1/C=N/NC(=O)C(c1ccccc1)c1ccccc1 408809562 HBOVAEJSCJIQSR-PCLIKHOPSA-N 392.886 5.021 50 40 GKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1ccccc1Cl 408881133 JTAUVCQQIHEOIC-CPNJWEJPSA-N 390.845 5.616 50 40 GKGB COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1 409017727 GVWPKOZNDNSQJV-FSJBWODESA-N 378.815 5.012 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccc(C)cc1 409072840 DWVHMNJVOFCHOA-PCLIKHOPSA-N 395.502 6.375 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(C)C 409208112 AZPGSCBBMPCAGT-SXGWCWSVSA-N 386.835 5.498 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1 2262497 NSFQODVBRGKARR-FOWTUZBSSA-N 394.883 5.308 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)cc1 2313190 HJMPQLCVRGDSSW-SFQUDFHCSA-N 385.448 5.202 50 40 GKGB O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cccc(Cl)c1 4893871 KNJLNGBKEJSFQU-QTANEOQUSA-N 378.819 5.225 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OC(C)C 59292055 GTEOCUPAFSCGCN-XDHOZWIPSA-N 378.472 5.035 50 40 GKGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 59433158 DQZKDTMLSNGPPT-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)cc1 408800632 QGRUFVYNMOXHSM-MHWRWJLKSA-N 399.288 5.090 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc21 208205850 CFYGFXAROHITIC-OVKKOYPGSA-N 399.538 5.255 50 40 GKGB Cc1ccc(F)cc1N/C=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2064337 LFBQOZQDQHZIMP-UVTDQMKNSA-N 380.404 5.142 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3Cl)n2)c1 6451250 DIMUAJRYJKVRSR-ZSOIEALJSA-N 387.291 6.190 50 40 GKGB C=CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1Br 97977109 DEUKBVFKYQMGOW-UHFFFAOYSA-N 381.164 5.414 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 209403545 RVRMFDNRUGKXPB-KOEQRZSOSA-N 375.471 6.791 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 408718902 UWYPXDWYNTVCRG-FDAKYCNCSA-N 396.918 5.195 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(Cl)c1 408802911 JCAOZDLSWFXHEN-OQLLNIDSSA-N 389.282 5.635 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(Cl)cc4)o3)[nH]c2c1 409390162 BUOGXEOJPHCNIO-UVTDQMKNSA-N 375.815 5.549 50 40 GKGB CC(C)(C)c1ccc(C(=O)N/N=C/C(Br)=C/c2ccccc2)cc1 4132404 YKULUCZCWWTVPP-VXYIRXSZSA-N 385.305 5.136 50 40 GKGB C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc(NC(=O)C2CCCC2)cc1 4614945 GSKQWBYXRYEVLO-WPWMEQJKSA-N 399.494 5.123 50 40 GKGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCc1ccccc1Cl 5560381 UXGJRMHSXRPCIV-LDADJPATSA-N 376.843 5.387 50 40 GKGB aggregator COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 8336567 OCMVXNHDZNHHQE-ATVHPVEESA-N 388.379 5.014 50 40 GKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl 20248433 KCEBCWGUKRIZCO-KEBDBYFISA-N 387.719 5.279 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 59193921 VHEAWPJEJWEFEX-RVDMUPIBSA-N 388.294 6.095 50 40 GKGB N#C/C(=C\c1cccc(OC(=O)c2ccccc2Cl)c1)C(=O)c1ccccc1 59399097 QJMBCRUEGBSDNC-QGOAFFKASA-N 387.822 5.349 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1 96835843 SVUGMTRPRDJMSB-YVLHZVERSA-N 385.269 6.604 50 40 GKGB CCOP(=O)(Cc1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-])OCC 108618917 DPQNWEAJFRTOLC-UHFFFAOYSA-N 399.274 6.018 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21 208447759 SUBICKXYSSFBPL-BOPFTXTBSA-N 375.447 5.003 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408794812 KAKBQULOSIISPP-LICLKQGHSA-N 396.874 5.076 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)cc1C 408870257 SJRUFIHMYPAULF-HYARGMPZSA-N 384.454 5.579 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408882396 NWPXTXNSQNAJKZ-MDWZMJQESA-N 394.780 5.303 50 40 GKGB ICCCCCCCCCC[n+]1ccc2ccccc2c1 1579156 BVWXTSRYGLTZKC-UHFFFAOYSA-N 396.336 5.683 50 40 GKGB CCCc1ccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)cc1 2561326 PEANMVDNBIMUGH-UHFFFAOYSA-N 379.465 5.350 50 40 GKGB N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 5554951 WYUSMHQYMKDCFE-DEDYPNTBSA-N 395.487 5.433 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)Nc3ccccc3)cc21 208245164 RWOOVFJVSABFGF-CIKLGQITSA-N 384.911 5.218 50 40 GKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccccc1F 408876946 RXKJGHAOLZBYLL-XMHGGMMESA-N 390.845 5.616 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408888999 AMAVPAARPJJRRO-BJMVGYQFSA-N 396.617 5.101 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1Cl 409011398 HPHRDFXDONHSDO-ZROIWOOFSA-N 387.697 6.810 50 40 GKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccccc4)cc3)cc2c1 409187016 KVXALPGAAHVBMP-XYGWBWBKSA-N 384.435 5.262 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)cc1 409209335 GAAJFHRDHZIAAW-STZFKDTASA-N 399.494 5.265 50 40 GKGB O=C(CCCC[C@H]1CCSS1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 524729001 KEEREJHDSGVIDW-MAUKXSAKSA-N 389.590 5.331 50 40 GKGB biogenic Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(Br)c1 948317 ZBSHMBXFPSMCLA-GZTJUZNOSA-N 383.289 5.427 50 40 GKGB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](Cl)c1ccccc1 3269796 GOZQEZMKZJTBPE-SFHVURJKSA-N 399.899 5.510 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1c(Cl)cccc1Cl 6209911 XOJLDYBJBDTAQS-JXMROGBWSA-N 386.065 5.846 50 40 GKGB CCCCCCCCCC/C(=N\NC(=O)c1ccccc1O)c1ccccc1 8426958 ZOYNFCVJMIZGFV-YYDJUVGSSA-N 380.532 6.057 50 40 GKGB CCCN(CCC)c1ccc(/C=N\NC(=O)c2csc3ccccc23)cc1 32564925 ZSAUFFXSVGMXDU-HAHDFKILSA-N 379.529 5.292 50 40 GKGB CC(C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 33736436 VRKMMOFSOKWYGS-JAIQZWGSSA-N 392.296 6.454 50 40 GKGB CCCCCCCCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 100500813 MLRJUXQTOGJYLD-UYAOXDASSA-O 391.016 5.619 50 40 GKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/c3cccs3)c3ccccc3n2)cc1 2759254 IEVXSVNEZOFODX-MFKUBSTISA-N 399.519 5.851 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC1CCCCC1 5206310 CFLQHHUYFKSDPC-XMHGGMMESA-N 394.902 5.275 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)C)cc3)n2)cc1 13774130 PNDWUXZDOGLZIY-QGOAFFKASA-N 375.497 5.919 50 40 GKGB Cc1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])cc1C 16268015 IAOQJYUTEILSNP-RVDMUPIBSA-N 384.395 5.412 50 40 GKGB Cn1c(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1-c1ccccc1 67299987 BCDALJVCQCUZGH-QGOAFFKASA-N 385.467 6.019 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)cc1C 1302342 BRYZWDZPZJVYCW-CPNJWEJPSA-N 382.492 5.952 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 4042547 MNTZPYCQCRZDEW-DHRITJCHSA-N 396.849 5.130 50 40 GKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12 6243996 SFDXSLDUEMWMCU-VULFUBBASA-N 387.870 5.209 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccccc3F)[nH]c2cc1C 6281614 HAQVMRPNYXYHHH-DEDYPNTBSA-N 397.453 5.962 50 40 GKGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc([C@@H](C)CC)cc2s1 20133009 CHAOGVPASDXEDS-WCQYABFASA-N 383.355 5.702 50 40 GKGB Cc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 33582116 VNFNGIYHCSZXDZ-CXUHLZMHSA-N 381.298 5.945 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 33650696 LAESPCTVAOJKJS-UYRXBGFRSA-N 390.826 5.891 50 40 GKGB CCCCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C2=C(O)CCCC2=N1 100703049 VDBBPCUJTHCPLL-IBGZPJMESA-N 384.501 5.203 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)C(C)=CC(C)(C)N2CC 208516148 GRRDJBSAZATINY-STZFKDTASA-N 399.538 5.816 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1C)[C@H](C)CC(C)(C)N2C 260562952 DGHBINZYAWEFRA-BDBXIWDTSA-N 387.527 5.571 50 40 GKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)Sc1nc2ccccc2[nH]1 408599235 QKYLWNQYDLIQGZ-NBVRZTHBSA-N 377.472 6.526 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 408857032 MTFRDFIZKVDMFU-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)cc1 409242317 QMFRUPQOFOGEAV-HKWRFOASSA-N 384.504 6.000 50 40 GKGB CCSc1ccc(/C=C(\C#N)c2ccc(OCCN(CC)CC)cc2)cc1 1692246 CWICUJLJBAOPNS-HEHNFIMWSA-N 380.557 5.583 50 40 GKGB CC(/C=C/c1ccccc1)=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 4878784 RVSSFADLPULGQQ-FGQKXZLESA-N 391.474 5.721 50 40 GKGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1Cl 14014905 ABBMBAPIDRNLSL-YDZHTSKRSA-N 385.250 5.550 50 40 GKGB N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1nc(-c2ccc(F)cc2)cs1 36093455 VECJQMYAQQPVSA-LFYBBSHMSA-N 391.254 6.026 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3F)cc2[C@@H](C)CC1(C)C 223573468 GBTDZMATZGJSNV-MMDHUZEPSA-N 381.495 5.010 50 40 GKGB Cc1c(C=C(C#N)C#N)c2ccccc2n1Cc1ccc(Br)cc1 408926344 MRZVAWSWXRBPFT-UHFFFAOYSA-N 376.257 5.191 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc([N+](=O)[O-])cc1 409209683 HTAZIHPOBBSHDN-PTNGSMBKSA-N 395.212 5.681 50 40 GKGB CC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 4458612 WZYXDJCUEFNGND-BYCLXTJYSA-N 392.502 5.980 50 40 GKGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 5342634 JTUKKJVVZJLFIH-MFKUBSTISA-N 399.922 5.080 50 40 GKGB CN(C)c1oc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1Br 59104275 BXPDSPPXPUUXEC-XFFZJAGNSA-N 385.183 5.191 50 40 GKGB Cc1ccc(C)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 100059164 NBIGPQHZPRVYFO-UHFFFAOYSA-N 382.487 5.530 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc2ncccc12 102439801 CRVCWPMIEUNMQO-SSZFMOIBSA-N 399.837 5.694 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2C(C)=CC1(C)C 208514484 URRJDQYTQFXZHX-BKUYFWCQSA-N 399.538 5.871 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(F)cc1 408737875 IQYAFMYQWRSTHG-CVKSISIWSA-N 385.442 5.150 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 408774054 ABIIQRHCTMYKCZ-PDGQHHTCSA-N 395.275 6.060 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1ccc(Br)cc1 409241238 JRJWVADWQSWENN-VBKFSLOCSA-N 393.240 5.002 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2C(=O)O)o1)c1nc2ccccc2[nH]1 4540790 MSJLKHFYVSOROP-FMIVXFBMSA-N 389.798 5.239 50 40 GKGB CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)c1 408745256 KVSMYVXKDXSMGX-ATVHPVEESA-N 390.826 5.348 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408891285 OCJXBVYOEQKIDB-BJMVGYQFSA-N 396.617 5.101 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 409250820 YHHNFWVLMFXMIE-CFMHKOELSA-N 382.891 5.302 50 40 GKGB COc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 409345014 KTIZDBASDZNHAC-UVTDQMKNSA-N 380.787 5.581 50 40 GKGB CCO[Si](CCCCCCCCCCCBr)(OCC)OCC 198065984 RJMUHDJJAWRAJC-UHFFFAOYSA-N 397.470 5.941 50 40 GKGB O=C(Cl)c1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 226327551 ZJFNIIQTROAOML-UHFFFAOYSA-N 394.479 5.714 50 40 GKGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(F)cc3)sc2c1Cl 408971301 IGZFCCUFNHMARF-WNFQYIGGSA-N 397.258 5.120 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409244896 KELJPNFNJNGNIJ-HNDQUVLASA-N 388.389 5.428 50 40 GKGB Cc1cccc2cc([C@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)c(Cl)nc12 650440 QPFOVPDOWBRUTB-FQEVSTJZSA-N 397.865 5.568 50 40 GKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(Oc2ccccc2)c1 1954018 DXFTWWXWGYWTGV-WPWMEQJKSA-N 395.462 5.194 50 40 GKGB Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 3081202 YTHQCHVPHDAVPX-MFKUBSTISA-N 380.532 5.238 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl 100839991 VXPQMZVWADIZPR-GXDHUFHOSA-N 396.859 5.657 50 40 GKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 408758909 UOQMFPOKMVWGPW-QNGOZBTKSA-N 396.446 5.014 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)c1 408933528 ANQPCBPHSOVLIU-HMAPJEAMSA-N 382.463 5.428 50 40 GKGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1 409186944 JZKCWAGSCYNXLJ-BOPFTXTBSA-N 389.373 5.100 50 40 GKGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)c1 4769946 RUPWZOIUQFBRNU-PTNGSMBKSA-N 378.815 5.154 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2noc(-c3ccccc3)c2c1 5013225 YUCBDAJWHJWXTL-QGOAFFKASA-N 395.418 5.049 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C 223588622 FGSYCZDAZYMSOI-BIKZULFDSA-N 377.532 5.260 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC(C)C 408801179 RZERECRFMNYUJT-LICLKQGHSA-N 398.890 5.380 50 40 GKGB C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 408990572 XLFXNKDXOCRVIN-ATVHPVEESA-N 389.886 5.643 50 40 GKGB Cc1cccc(Cn2cc(/C=C(/C#N)c3ccc(Cl)cc3)c3ccccc32)c1 408998739 QFHVEVGHDYPQAM-STZFKDTASA-N 382.894 6.716 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)s1 2759810 NWELWEMMWHJRJL-AFUMVMLFSA-N 399.519 5.652 50 40 GKGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc1 5646191 SIFHACKSQWTCFQ-OAQYLSRUSA-N 392.462 5.010 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc2ccccc2c1 6961941 DVPFWXDGDIGAPD-UCQKPKSFSA-N 393.446 6.220 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)cc1C 8664756 MDHHSIKUOYOFTP-RQZCQDPDSA-N 395.325 6.254 50 40 GKGB N#C/C(=C\c1cccc2ccccc12)c1nnc(NC(=O)c2ccccc2)s1 8743121 LUWUBPDTIHUSBL-QGOAFFKASA-N 382.448 5.008 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1 13512493 GWTXVLCYCBNNRY-GZRFBZBPSA-N 390.918 5.206 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 39884446 AKDMRVSDXUWJKA-GHRIWEEISA-N 376.843 5.708 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 57838128 PVMCIKWMMQFBQE-RLWITGEDSA-N 386.495 5.097 50 40 GKGB O=C(CCCC[C@H]1CCSS1)NCCc1nc(-c2ccccc2)cs1 96116141 IBDUGACEGRAWLS-INIZCTEOSA-N 392.615 5.183 50 40 GKGB biogenic COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 213089758 QKJZNPUWOWHYPO-STZFKDTASA-N 398.462 5.128 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C 223542939 YOPBTXGWQYVOEL-MMDHUZEPSA-N 397.950 5.605 50 40 GKGB CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408537092 CCPVDPWNBRBGIN-NBVRZTHBSA-N 382.891 5.845 50 40 GKGB CCOc1ccccc1/C=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl 408972656 UEUATLPJUJETAP-FBHDLOMBSA-N 393.295 5.371 50 40 GKGB C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409043593 RUEJPXZIEUPOAS-RIYZIHGNSA-N 375.211 5.531 50 40 GKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 409238481 DOSHAEGUSHASBR-OEAKJJBVSA-N 380.900 5.564 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cc2c(ccc3ccccc32)o1 2161552 IQGNSINLXAKAHC-VULFUBBASA-N 398.393 5.749 50 40 GKGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 2669630 ZKMBHTBIMVZEKK-GXDHUFHOSA-N 378.255 5.894 50 40 GKGB CCN(CC)c1ccc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1 6391897 KBDUVTOGSZALRY-UHFFFAOYSA-N 399.538 5.104 50 40 GKGB CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 100860121 JOBPTIBKFPLGBI-KGENOOAVSA-N 395.487 6.142 50 40 GKGB N#C/C(=C\c1ccc(O)c(Br)c1)Sc1nc2ccccc2s1 108047172 ZTNXVWQFBIQTFO-YRNVUSSQSA-N 389.299 5.421 50 40 GKGB CCCCCCc1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2n1 1681720 SHVAUWLSVCZMHG-PCLIKHOPSA-N 393.918 5.775 50 40 GKGB Cc1cccc2c([C@H](O)CBr)cc(-c3ccc(Cl)cc3)nc12 6491451 TWXDHENIQLOVGO-QGZVFWFLSA-N 376.681 5.292 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)CCc3ccccc3)cc21 223477648 IFJHEZVNYCTNTR-ONUIUJJFSA-N 389.543 5.180 50 40 GKGB O=C(Cl)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 226329338 NOHFSHSSARLELR-UHFFFAOYSA-N 394.479 5.714 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)c(Cl)c3)c2C)cc1 409054140 RUMSSVPGVUHUOQ-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)c(CNCCCl)c1 1681166 KBWOPIAJIUGGND-NHCUHLMSSA-N 375.940 5.417 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3Cl)n2)c(C)c1 4175078 AEHJJBCLFJTMHV-OQLLNIDSSA-N 385.319 6.798 50 40 GKGB CCc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 4957121 YQRYMBWRFIWQKI-RVDMUPIBSA-N 395.871 5.998 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 59224860 VDMMLNACXPKLCW-GZTJUZNOSA-N 398.890 5.382 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2)cc1 207049342 XDOYVIFPIZVRJB-UCQKPKSFSA-N 396.490 5.737 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NC3CCCCC3)cc21 208473727 KLKLCJYDUNPOFT-YVLHZVERSA-N 397.950 5.328 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2C(C)=CC1(C)C 208507368 CULLBPRKSQHBIR-ZVHZXABRSA-N 381.907 5.126 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)Nc1ccc(F)cc1 408600704 FBBBLYCEWMTRMP-UKTHLTGXSA-N 384.769 5.424 50 40 GKGB Cc1c2ccccc2c(CNCCSCCCl)c2ccc3ccccc3c12 1720195 OLLMAWCFCATOJP-UHFFFAOYSA-N 393.983 6.516 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc2ccccc2[nH]1 4066703 ZDNPMQJJVDXMPR-FMIVXFBMSA-N 390.786 5.449 50 40 GKGB COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 13027770 CYOROANDZSQJJF-OQLLNIDSSA-N 382.872 5.545 50 40 GKGB N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1Br 33695310 KCNBHYKBQBDYCN-NTMALXAHSA-N 396.071 5.302 50 40 GKGB Cc1cccc2cc(/C=C(\C#N)c3nnc(-c4ccccc4)n3C)c(Cl)nc12 98055330 DPIHYKKPMJBVNX-LDADJPATSA-N 385.858 5.056 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc21 208204037 IKSBHDHINPJBOU-GNYKCMPYSA-N 385.511 5.326 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)c(C)c1 408871528 YRGHJNCDWZUCKC-HYARGMPZSA-N 384.454 5.579 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccccc1 409366787 YFSQIWBVOWIMRM-UVTDQMKNSA-N 395.212 5.681 50 40 GKGB CCC/C(=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCC)cc1 4416571 IHACCXFKXAXHRS-PYCFMQQDSA-N 379.287 5.326 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1 6886186 ZLOSZHXNZYWJIN-QGOAFFKASA-N 390.269 7.471 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1O 23203406 ZYFIMXMHCWJPIF-WQRHYEAKSA-N 376.481 5.541 50 40 GKGB C=CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 67257878 YKAOJULLZAVXLQ-ATVHPVEESA-N 378.884 6.092 50 40 GKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1 408817777 WGOCMAWOZNXNQB-ICLJYISRSA-N 392.474 5.007 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408939869 IQHOCSVKQHKIHC-YVLHZVERSA-N 394.833 5.649 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)o2)cc1Cl 409388821 WLXLVQPPMFWIOL-YVLHZVERSA-N 379.847 5.004 50 40 GKGB Cc1ccc(OCc2ccc(C(=O)N/N=C/c3sccc3C)cc2)cc1C 654646 XNCDIGWTTUPHNS-YDZHTSKRSA-N 378.497 5.016 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)cc3OC)n2)cc1 6356352 AQJCUBJAKBEMTF-WQRHYEAKSA-N 376.481 5.454 50 40 GKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC#N 8237556 NOUZQIQSRASUDU-WOJGMQOQSA-N 387.464 5.094 50 40 GKGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1cccc(Br)c1 16384096 WUTBCBVUCREZFY-YVLHZVERSA-N 385.280 5.561 50 40 GKGB CCc1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 44827315 HHPUAMFKKIORCM-LICLKQGHSA-N 395.325 6.199 50 40 GKGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H]2Br 100848737 PLHCLBIFHOAOBA-KCXAZCMYSA-N 391.136 5.522 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408734967 MEDZUXZRCLVYTK-GZTJUZNOSA-N 398.890 5.382 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)cc2)cc1 408882485 OKAMCCJPTCQOEY-LFVJCYFKSA-N 380.491 5.748 50 40 GKGB Cc1ccc(SCCC(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 409116494 NZVWDESUNOXPPK-YDZHTSKRSA-N 397.931 5.138 50 40 GKGB ClCCN(CCCl)c1ccc(-c2csc(Cc3ccccc3)n2)cc1 1701351 XYHXADWPEMKZKC-UHFFFAOYSA-N 391.367 5.685 50 40 GKGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 4714687 NQIOIFPJWRUMBP-HZHRSRAPSA-N 388.964 5.411 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 4723196 IXPQGLAQQJSLBX-QINSGFPZSA-N 378.815 5.154 50 40 GKGB N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)c1nc2ccccc2s1 5071737 CFNUENSDWQYOJB-SAPNQHFASA-N 378.460 5.675 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@@H]1C2 5381481 OABVOERAKHNDFR-NGKAAKOHSA-N 383.319 5.081 50 40 GKGB Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1C)c1ccccc1C 103843583 NDISQXMNGHDAQT-UHFFFAOYSA-N 396.514 5.838 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c1C 144073203 QOWFGFYXVIAFCO-UNOMPAQXSA-N 395.333 7.028 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1 408752394 FASFQPHSQPGLTF-ZVHZXABRSA-N 379.891 5.074 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cc(C)cc(C)c2)cc1 408875303 JDEBHAHNPJXAIN-KOEQRZSOSA-N 394.518 6.002 50 40 GKGB Cc1cccc2c(/C=C(/C#N)C(=O)NCc3ccccc3)c(-c3ccccc3)[nH]c12 408996455 PDVHJKWADQSXSH-QNGOZBTKSA-N 391.474 5.367 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccccc1F 409390610 GEAMDGQHZIUGEQ-ODLFYWEKSA-N 377.390 5.617 50 40 GKGB N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1ccccc1 6496099 NIEJIFZSPFQQJH-AWEZNQCLSA-N 389.307 5.265 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1cccc2ccccc12 33787508 SIXUITXLFFDVNZ-IMRQLAEWSA-N 398.509 7.465 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 59116777 KGLGFNWWOBDIDL-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408580203 NASOBPKJCMDOKI-NBVRZTHBSA-N 395.867 5.172 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2c(c1)OCO2 409359657 BNXPUHHPOOEDOW-JYRVWZFOSA-N 384.218 6.046 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccccc1 4813323 FQYBGHUZWAWUIU-XSFVSMFZSA-N 395.462 5.225 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)c1 16269345 CBMKLISSNFTSGM-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)NC1CCCCC1 59224736 MCTBMBHAOWOTEZ-XMHGGMMESA-N 394.902 5.275 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Cl)cc1 59305132 UQTSNHBQNDLWQR-ZMOGYAJESA-N 391.858 5.258 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1Cl 408580613 PYIANJWXVJOHSF-FOWTUZBSSA-N 382.290 7.000 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C(C)C)c(O)c(C(C)C)c1 408849647 XIGXUYKITLZZLL-CAOOACKPSA-N 396.918 6.147 50 40 GKGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 408894519 JJTMWYZJHQKQQU-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB COc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(Cl)cc1 6380894 VKZLNGJEWXRLNN-NSCUHMNNSA-N 378.653 5.227 50 40 GKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 20197471 QHECXRJNWLJTHU-ZVHZXABRSA-N 396.874 5.461 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c1C 23217704 MZIURPQOYAJHRA-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 408601617 KVYWICIFDRJOAF-MXAYSNPKSA-N 396.849 5.130 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccccc1 5741072 AVNDAOOLZSJBTL-XMHGGMMESA-N 395.437 5.374 50 40 GKGB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(\C#N)c2ccccn2)cc1 16695099 BMPIQIGCLQAWIK-XMHGGMMESA-N 380.426 5.446 50 40 GKGB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/NC(=O)C[N+](C)(C)C 17109918 YYSKFWJSNVCJED-GBJKPKPPSA-O 399.386 5.155 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(C(=O)O)cc1 408543788 TUGXGQFRGIEOMX-ZROIWOOFSA-N 384.218 6.016 50 40 GKGB Cc1c(Br)cc(/C=C(/C#N)c2ccccc2)cc1Br 409363580 MJRPHRDDEDXLQQ-AUWJEWJLSA-N 377.079 5.584 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 409373873 IOJHNPBQNQYNCE-QGOAFFKASA-N 385.854 5.859 50 40 GKGB CCCCP(=O)(CCCC)NCP(=O)(c1ccccc1)c1ccccc1 2293387 MHTDECYULCIQBM-UHFFFAOYSA-N 391.432 5.426 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3cccc(OC)c3OC)n2)cc1 6355337 FSURRAKQFODAEX-ATVHPVEESA-N 392.480 5.290 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cccc(F)c2)o1 33613229 JCJJODFJUJOZBQ-AFUMVMLFSA-N 388.398 5.011 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1 408589118 YSUJZQHMWZFJIE-UKTHLTGXSA-N 385.206 6.226 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1 35282479 QYAGGFUFSJBSPS-ZHZULCJRSA-N 386.426 5.259 50 40 GKGB CCCCCCC/C=N/NC(=O)c1cccc(NC(=O)c2ccccc2C)c1 108944405 FNWMMZBILZIDJT-LFVJCYFKSA-N 379.504 5.323 50 40 GKGB CC(C)N1c2ccc(/C=N\NC(=O)CCc3ccccc3)cc2[C@@H](C)CC1(C)C 223544961 XKHYRHDFDWDYOV-VPBNWZFVSA-N 391.559 5.270 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)c2ccccc12 408797751 CSHXRTAVQMWRQV-NBVRZTHBSA-N 386.451 5.101 50 40 GKGB CC1=C/C(=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC(C)(C)C1 12436627 OUIJYHZHYRMLNS-ZXVVBBHZSA-N 383.495 5.754 50 40 GKGB CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 100839973 MTFBYGCPJGDMDQ-PTNGSMBKSA-N 394.887 5.398 50 40 GKGB CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1 408539655 XWDKCLMKNVFVGM-XSFVSMFZSA-N 396.918 5.522 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)cc1C 408817752 WEVFTUSNHXWCPO-DEDYPNTBSA-N 387.458 5.396 50 40 GKGB CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409050152 ZNNSHJBBDATEBW-VIZOYTHASA-N 391.254 6.001 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c2ccccc12)c1ccccc1 409234200 NFDUYAQQLAIBRS-WDUNQMNWSA-N 395.506 5.224 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1-n1cccc1 4063019 OHPIXEDGWNFVDP-BUVRLJJBSA-N 389.842 5.155 50 40 GKGB CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)c2ccccc2)=C(C)N1 4905941 BDTDYIPDESRFKO-IBGZPJMESA-N 380.900 5.282 50 40 GKGB Cc1ccc(-c2cc(C(=O)NN=C3CCC(C)CC3)c3ccccc3n2)s1 6216357 GZAIKTXQAMWDAV-UHFFFAOYSA-N 377.513 5.568 50 40 GKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc(Cl)c1 58823109 QAJVNUMIBHKGRG-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1 59335130 FZZPHLSOJMWGSI-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(C(C)C)cc1 408544598 VEJYVYKEPBEJID-UCQKPKSFSA-N 384.479 5.980 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 408579955 LYJWLUUJDJEOPR-HYARGMPZSA-N 382.463 5.385 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 408876695 QAHYVXLJFDAKTL-PCLIKHOPSA-N 394.518 6.057 50 40 GKGB C[C@@H](/C=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 4150416 UTKRTTKHINQSJI-KOUDTOEKSA-N 379.287 5.058 50 40 GKGB Cc1cccc(OC[C@@H](CCl)S[C@H](CCl)COc2cccc(C)c2)c1 5619722 NTRZMPXIFJDBQT-WOJBJXKFSA-N 399.383 5.709 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cc(Cl)ccc3Cl)n2)cc1 13773630 AEKYHAUCUHHTCV-UVTDQMKNSA-N 386.307 6.402 50 40 GKGB O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1cc2ccccc2o1 33351785 LOYODZORRJIQDU-YSMPRRRNSA-N 393.446 5.200 50 40 GKGB CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c1 100860118 QGLVASGFKVESEA-KGENOOAVSA-N 395.487 6.142 50 40 GKGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408843328 DHOXCVAABQLDLH-RVDMUPIBSA-N 386.282 5.139 50 40 GKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\C=C\c2ccco2)cc1 408851972 OMTBZWKONLSLNN-DDPXXRBQSA-N 395.462 5.475 50 40 GKGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 5221809 MFLWPOBOLDVVJJ-YDZHTSKRSA-N 393.314 5.210 50 40 GKGB COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1 33404261 PHVWGFIFMJEOFX-VCHYOVAHSA-N 376.481 5.508 50 40 GKGB Cc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 33740572 JMMMQHAEPBXPMK-WOJGMQOQSA-N 377.831 5.720 50 40 GKGB CC(C)Sc1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 68734891 KXMRWYIWAWFEAE-UHFFFAOYSA-N 389.735 5.904 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc2ccccc2c1 107869275 KRSHCFYZMGBDFC-QRQIAZFYSA-N 398.509 7.465 50 40 GKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)o1 408549195 QORSCMXGHBSJLU-STZFKDTASA-N 379.415 6.171 50 40 GKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409042392 MROCPVTZBNIOAJ-CXUHLZMHSA-N 389.282 5.006 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccccc2)s1 672220 IICYEPHXJGYOAV-BUVRLJJBSA-N 385.492 5.483 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1 858275 LEZJHQLOSVAXGW-NTCAYCPXSA-N 393.240 5.255 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc2cccnc12 1306549 SELXIYCXFPLLTQ-GHRIWEEISA-N 399.837 5.694 50 40 GKGB N#C/C(=C\c1ccccc1OCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 4182054 CALPALILDRLFKM-CAPFRKAQSA-N 386.407 5.117 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)c1 4723199 PNGYVLZBILXGCQ-VBKFSLOCSA-N 392.842 5.544 50 40 GKGB N#C/C(=C\c1ccc(SCc2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 4950444 IRHDLHRLJZIUDR-RVDMUPIBSA-N 391.883 6.166 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(C)n1C1CC1 5602991 QXBWCERPRNHVQM-DEDYPNTBSA-N 375.516 5.763 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)cc1 6503618 VDQIAFVFOKBSMV-CXUHLZMHSA-N 381.298 5.945 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 9201567 IBPZJCSDKCFKLO-JFLMPSFJSA-N 399.469 5.209 50 40 GKGB CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1cccc2ccccc12 35152299 NTAGXBDOELIANY-XDHOZWIPSA-N 388.492 5.011 50 40 GKGB N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1ccc(F)cc1 59116805 CQHLNMGSAIFMKX-WQRHYEAKSA-N 390.389 5.089 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cccc2ccccc12 59445303 UAFRJZPNESQYCR-JVWAILMASA-N 398.437 5.322 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)c1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C(C)C 223599641 HIIBJZGZTFRSTL-UZQMFHLOSA-N 392.974 7.213 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2c1 408549577 VCDHDUPGTWBRFY-LDADJPATSA-N 390.269 7.471 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 408581910 ZWFSMEZIHAUAEU-LDADJPATSA-N 380.274 6.637 50 40 GKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(Cl)c1 408815817 SGRYFOLHQRFTDE-CFRMEGHHSA-N 391.858 5.258 50 40 GKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1 409119383 PEQRCQZVTSPHQE-WCIBBKAISA-N 390.508 5.418 50 40 GKGB O=C(N/N=C/c1ccc(Br)cc1)c1cc2c(ccc3ccccc32)o1 694343 YHUSYYBLMOMTGO-WSDLNYQXSA-N 393.240 5.112 50 40 GKGB O=[P@](Nc1ccccc1Cl)(c1ccccc1)c1nc2c(s1)CCCC2 3174757 FQBACXNFVMYYKB-XMMPIXPASA-N 388.860 5.016 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(F)cc1 3663221 HBQAPBAGCNSAQX-LSHDLFTRSA-N 377.202 5.156 50 40 GKGB N#CC(C#N)=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 5234696 MGOHXCCXOGEEKZ-VQHVLOKHSA-N 391.257 6.768 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1 6160874 WEHJBHFOUNLOPO-ZHZULCJRSA-N 395.531 6.704 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 6313357 DZUKBGLMFZOOFK-MHWRWJLKSA-N 388.294 6.095 50 40 GKGB N#C/C(=C\c1c[nH]nc1-c1cc2ccccc2o1)c1ccc(C(F)(F)F)cn1 63278345 UMRUXLWXWJRULV-NTUHNPAUSA-N 380.329 5.301 50 40 GKGB ClC1(Cl)C[C@H]1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95676914 CJPCRWMUEXIVKE-SFHVURJKSA-N 386.282 5.174 50 40 GKGB Cc1ccccc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 100725038 GCTFNPGBMYIQPN-VBKFSLOCSA-N 385.448 5.202 50 40 GKGB COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)n1 5257363 QNKCIXWWIDJCPW-MDWZMJQESA-N 397.843 5.444 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 5747897 LFKBIZWCBIHWHJ-XNTDXEJSSA-N 397.261 6.108 50 40 GKGB CCCCCCCC(=O)NNCC(=O)OC1CCCCCCCCCCC1 8386052 SPXAOIFHXZIUAW-UHFFFAOYSA-N 382.589 5.184 50 40 GKGB CCOC(=O)/C(C#N)=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 9234224 BCPQCTUMIHYVSC-GXDHUFHOSA-N 399.277 5.466 50 40 GKGB CC[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C(C)/C=C/c1ccccc1 13882085 MTRYHVBRSOHNQA-SYWMIFPWSA-N 395.553 5.373 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Cl 408745781 VNLBNSZDWCVQCC-DHDCSXOGSA-N 387.266 5.412 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1 408746055 WXNXWQHQKPORTN-HKWRFOASSA-N 391.515 5.555 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccccc1 4039491 DTSQKUVTWQYOEW-CPNJWEJPSA-N 398.487 5.948 50 40 GKGB COc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1Br 408528512 HUJUXUHJGICHBT-JYRVWZFOSA-N 393.078 5.284 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409044973 DZUFZLGBYNSKOJ-LHVGKRBTSA-N 396.918 5.195 50 40 GKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2782948 IMJPJKOPDAAZPB-UXBLZVDNSA-N 396.617 5.101 50 40 GKGB Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)c1 4793108 HACLUYOKXFXBQR-LICLKQGHSA-N 395.325 6.254 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)cc1 6934982 TVVNISGGUVTTEV-MOSHPQCFSA-N 376.887 6.210 50 40 GKGB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 39389295 SFOCYFZQHHWIRZ-BNONEXONSA-N 387.612 6.336 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 59225096 AYJDBCVFQBVWOJ-XQNSMLJCSA-N 396.490 5.682 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1Cl 408581239 VHYFLKJUZVBBED-LFIBNONCSA-N 382.290 6.998 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)o1 408590594 PUOVHXXTFFDDLE-LSHDLFTRSA-N 390.270 5.066 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408805038 CMZLCOSRSROZJD-SAPNQHFASA-N 390.870 5.828 50 40 GKGB Cc1cccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 408972598 PLQRLLNFUKCNKC-WNFQYIGGSA-N 397.714 5.934 50 40 GKGB CCc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@H]32)cc1 4631652 GFIZBGUBQNMXKW-KNKQGSTJSA-N 384.527 5.115 50 40 GKGB CC[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C(C)/C=C/c1ccccc1 13882086 MTRYHVBRSOHNQA-XDTUIVERSA-N 395.553 5.373 50 40 GKGB CC(C)=C[C@@H]([C@H](O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1 98175061 FOACQDQSDXLHMH-BJKOFHAPSA-N 382.484 5.277 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)c1cccc(C#N)c1 408569043 YKBYYUIOMBSWQZ-YDZHTSKRSA-N 384.442 5.497 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1 408744540 FWSQGDJYSGQSNF-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408890438 TVYWQBDUFGMBAT-NBVRZTHBSA-N 393.443 5.100 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1 4263943 ZEKJINHHUZDHAB-RVDMUPIBSA-N 381.888 5.757 50 40 GKGB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)[C@@H](C)Cl 5953739 QACICMOJFWYBQE-SECBINFHSA-N 399.990 5.814 50 40 GKGB Cc1cc(/C=C(\C#N)c2cccc(Br)c2)c(C)n1-c1ccccn1 9264775 HRCOTWRMIMSRTA-WOJGMQOQSA-N 378.273 5.316 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)c(C)c1 59201866 SMNZPRFERLAOKW-HMAPJEAMSA-N 382.463 5.428 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(F)cc3)cc2[C@H](C)CC1(C)C 208321545 FNPJHPYHQZTBBV-FRQJIFLKSA-N 381.495 5.010 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc(F)c1)[C@@H](C)CC(C)(C)N2C(C)C 223590704 KJWOAOOPSAJZED-HSOLMKNUSA-N 395.522 5.399 50 40 GKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 409118184 PCDYDHNACGDNPC-GIEPYWIESA-N 397.931 5.136 50 40 GKGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)c1 409202383 QGPAMHUIGOHKIN-BOPFTXTBSA-N 388.379 5.014 50 40 GKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ncc(Cc2ccccc2)s1 1905797 UFUNAWFDNSKQCN-XSFVSMFZSA-N 395.487 5.433 50 40 GKGB Cc1c(Cl)ccc2c([C@H](O)CBr)cc(-c3ccccc3)nc12 2042444 KUILAJXXPFYFNH-QGZVFWFLSA-N 376.681 5.292 50 40 GKGB O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@@H](Cl)c1ccccc1 3346405 NLFOJLAPITXLOW-INIZCTEOSA-N 377.296 5.306 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1 4263946 SYHGUFCRBLIFSW-FOWTUZBSSA-N 395.915 6.147 50 40 GKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(Cl)c1Cl 4704005 ATISZJKYEMZNOH-ZMOGYAJESA-N 399.277 5.190 50 40 GKGB CN(C)P(=O)(Nc1cccc2ccccc12)Nc1cccc2ccccc12 38144573 DQKBUPFPKRGTFU-UHFFFAOYSA-N 375.412 6.187 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 408817415 WENCMDYBCPLQGP-AFUMVMLFSA-N 387.870 5.107 50 40 GKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408817817 WVENSRMRFBRGFF-OQLLNIDSSA-N 387.266 5.412 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(F)c(Cl)c1 408818176 XBVYVQFCFZNNKZ-BOPFTXTBSA-N 399.897 5.243 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(Br)cc1 409017097 FDWCVOGGMOUPQI-BOPFTXTBSA-N 375.225 5.645 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 1911537 YYASFSWILVVEGA-RVDMUPIBSA-N 389.282 5.718 50 40 GKGB COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 5128488 WTIHJGUDWQBJCP-DEDYPNTBSA-N 386.407 5.247 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)c1 6200272 WJHMBMZENMLCRH-VGOFMYFVSA-N 387.291 6.190 50 40 GKGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3\C[C@H](C)CC(C)(C)C3)cc12 34781747 WBQFPATWWIQBPX-XLOANJQZSA-N 394.544 5.327 50 40 GKGB O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1 59488964 JPCJCONZFCURKW-ZCXUNETKSA-N 396.453 5.221 50 40 GKGB CCS/C(=C\[PH](c1ccccc1)(c1ccccc1)c1ccccc1)SC 104214783 QFWOORAKGNMPCL-NMWGTECJSA-N 396.561 5.628 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)c1ccc2ccccc2c1 408552692 USRPNUQGYVFBSP-OYKKKHCWSA-N 379.434 6.622 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408727117 XFQNWWWNIGXIND-ZNWPBULUSA-N 391.298 5.530 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408788171 BPIWJXWWOCNDIK-VGOFMYFVSA-N 375.255 5.165 50 40 GKGB N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccccc1Cl)C(=O)c1ccccc1 4837046 BERRLCGUJHDHIO-HMAPJEAMSA-N 383.838 5.251 50 40 GKGB aggregator C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1cccc2ccccc12 6312253 LVSPOEGIBUCEJA-ZXVVBBHZSA-N 394.474 5.426 50 40 GKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc1 6441046 SLODFQMCRBKNGR-HKWRFOASSA-N 379.415 5.951 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)c(F)c3)n2)cc1OC 13648236 BYRCEULAIJJCDC-PTNGSMBKSA-N 395.459 5.251 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NCc1ccccc1 28356557 MGEXDBJLCHUCBR-ATVHPVEESA-N 396.368 5.189 50 40 GKGB CCSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 102600230 JPEWOITYMLLDLW-HNNXBMFYSA-N 379.312 6.016 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 216066279 ATRHJZROGOKARE-KAMYIIQDSA-N 397.261 6.108 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1 408738476 YUUPHTSIFVEXEJ-FSJBWODESA-N 386.282 5.165 50 40 GKGB CC(C)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 408852614 LYBRPDWACSVRBD-NHDPSOOVSA-N 385.261 5.083 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 3217461 BVJFQZPBJVVAIC-HZHRSRAPSA-N 397.522 5.819 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3)n2)cc1C 4329523 AAOJGNKSPUPMKQ-LFIBNONCSA-N 376.441 5.312 50 40 GKGB Cc1ccc(-c2csc([C@@H]3C(=N)NC(S)=C(C#N)C34CCCCC4)n2)cc1 5409123 QGXCRUVIXCXSER-KRWDZBQOSA-N 394.569 5.398 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1C 6332824 VMYHXDPOKQUZBT-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB C#CCOc1c(CC=C)cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC 9263450 NFHOOOIQFLTSLH-XSFVSMFZSA-N 397.478 5.075 50 40 GKGB C[C@@H]1C/C(=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)CC(C)(C)C1 33043969 RXCCFGXIOFNNAH-DAWOQIAZSA-N 375.472 5.427 50 40 GKGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 59248221 LSEOGRNPQYRKRO-KAMYIIQDSA-N 382.250 5.330 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)c1cc(/N=N\c2ccccc2)ccc1O 100133631 BRMQPMCBJQEWAE-QPLCGJKRSA-N 398.402 5.447 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c(Cl)c3)n2)cc1 100860096 NWNVEOIMIUGOOS-JLHYYAGUSA-N 385.851 5.588 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1)c1ccc(Cl)cc1 408580287 NWZMCAWWGYXWSM-XDHOZWIPSA-N 389.838 5.681 50 40 GKGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409229877 VRRHJHMZRUNSES-FOKLQQMPSA-N 391.229 5.085 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 409240093 OIXYBFRNURNIFG-LUJRCDHRSA-N 376.843 5.384 50 40 GKGB Cc1oc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)c(C#N)c1C 409358873 LVTFBPJUCVOAKJ-GRSHGNNSSA-N 375.859 5.893 50 40 GKGB O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1cc2c(ccc3ccccc32)o1 1011396 GUCRFAQITUWSDD-AUEPDCJTSA-N 399.233 5.362 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 6058166 JWMWDQDBQNGCDR-ZROIWOOFSA-N 385.206 6.226 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OC 6207203 BLTVVTQITMYCHE-JYRVWZFOSA-N 376.225 5.060 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1F 6886207 PIIAKCMWGDQQBF-HAHDFKILSA-N 379.434 6.622 50 40 GKGB CC(/C=N\NC(=O)c1cc(C2CC2)nc2ccccc12)=C/c1ccc(C(C)C)cc1 31867296 FETYVQWYLDKKEU-IMBWXTMRSA-N 397.522 6.055 50 40 GKGB Cc1c(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc2n1Cc1ccc(F)cc1 33668632 CVWMQXTXOXKYNL-HYARGMPZSA-N 391.449 6.073 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(C)C 33742750 BXRYORZLVNKRAG-PXNMLYILSA-N 386.835 5.498 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 6240224 SOQIYJZSZKSAFB-UXBLZVDNSA-N 386.065 5.846 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Cl 6293483 YDXWNCQVVPHYFT-JYRVWZFOSA-N 391.229 5.243 50 40 GKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)o1 17079903 MKZCOAJUDRWYTL-LGMDPLHJSA-N 391.434 5.381 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCC 33731195 WFOQOFYUXNZBFR-UYRXBGFRSA-N 387.483 5.461 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc21 208247578 GAVXMGSXWDNZDX-DISPHTKASA-N 393.918 5.608 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(O)cc1 408794579 IYWOILLCYBDMBC-ACCUITESSA-N 396.855 5.335 50 40 GKGB Cn1c(/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc21 4865115 PNWVQWFLPLYKKD-NTCAYCPXSA-N 393.368 5.916 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 35212441 QVVRCXISFPWGSA-GZTJUZNOSA-N 396.874 5.158 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)n2)cc1C 44827400 YVJPCFYKSQGBFY-LZYBPNLTSA-N 377.425 5.105 50 40 GKGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(CSc2ccccc2)cc1 58915983 WQAGILYJYZFVJQ-ZMOGYAJESA-N 398.890 5.535 50 40 GKGB ClC[C@H](Cl)CCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100369925 IWXWHHDLRXAPJT-GHMZBOCLSA-N 377.010 6.931 50 40 GKGB in-vitro CCN1c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2[C@@H](C)CC1(C)C 223538206 KVALIOIGQTUUTR-GMQKBEEJSA-N 389.499 5.309 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3cccc(Br)c3)o2)cc1 408851401 YSHRHDJOUCSWAB-VBKFSLOCSA-N 396.309 6.566 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccccc1F 409075636 ZFZYOXIJEHMISS-HZHRSRAPSA-N 399.465 6.206 50 40 GKGB CCN(CC)CCOc1ccc(/C(C#N)=C\c2ccc(SC(C)C)cc2)cc1 4758147 KDRRJYFXQJJXRM-XLNRJJMWSA-N 394.584 5.972 50 40 GKGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 5919277 VOPDDOZDEHQGJT-CSUZIONRSA-N 376.481 5.110 50 40 GKGB CCC[C@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Cl)cc2s1 20132665 ZLJWEDXPIIQCQG-NSHDSACASA-N 389.746 5.575 50 40 GKGB N#C/C(=C\c1ccc(F)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 44835543 AABCAKMFRVSCMH-NTUHNPAUSA-N 375.255 6.320 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1 102983066 MSPAYUHMOQIOAF-LVZFUZTISA-N 390.552 7.100 50 40 GKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccccc1 104164698 UURXMXQBILMTIB-RWEWTDSWSA-N 386.624 7.398 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)cc1Cl 408527995 GZQIAYJCBCJYOU-YBEGLDIGSA-N 398.687 6.735 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C)c2)cc1 408792586 LDUVKZHLNACYGS-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)c1 408891359 PIMUOJKOWUELPS-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Clc1cc(Cl)c2oc(-c3ccc(CBr)c(Cl)c3)nc2c1 41127197 JRSBMKPPXUAFQL-UHFFFAOYSA-N 391.479 6.350 50 40 GKGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)c(Cl)c1 408588356 VQXJMFCSBBYXCD-WZUFQYTHSA-N 398.043 5.728 50 40 GKGB O=C(Sc1ccc(Cl)cc1)[C@H](Cl)[C@@H](Cl)c1ccc(Cl)cc1 1685419 RJWWDVMPCZLDGN-UONOGXRCSA-N 380.123 6.200 50 40 GKGB Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 5543438 MUVQGBCMWLFWNF-PDGQHHTCSA-N 390.870 6.071 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3cc4cccc(C)c4nc3Cl)nc(O)c2c1 6025363 ZJOXOTOMJAGUQI-MHWRWJLKSA-N 386.842 5.218 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccccc1C#N 6595632 ZLZOVHUFFIYTOH-BKUYFWCQSA-N 398.437 5.739 50 40 GKGB Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c(C)c1 6961362 MCZFALFGJTYWFV-DHRITJCHSA-N 393.918 5.437 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1 8654137 KFKDGECIKRDVEU-CXUHLZMHSA-N 385.319 6.743 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)c1nc(-c2ccc(Cl)cc2)cs1 44827337 RYEVDGANFHYSAT-MDWZMJQESA-N 391.710 6.834 50 40 GKGB Cc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1 71789920 ZZYZSNODVVFFFR-FFGOWVMKSA-N 388.374 5.124 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1C 408542662 KQKRLQXQOZVRRN-KGENOOAVSA-N 379.463 5.823 50 40 GKGB N#C/C(=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12)C(N)=S 408543021 MVNKCFCZUHMWHE-WQLSENKSSA-N 386.307 5.189 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408581111 USDFSBJWYOWFHM-UDWIEESQSA-N 394.301 6.945 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)c(C)c1 408603400 QMWFNDTYFWFGMO-MHWRWJLKSA-N 394.833 5.902 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1 408858456 SDYSDUVVRHGWRQ-QINSGFPZSA-N 394.883 5.938 50 40 GKGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc2ncccc2c1 408963850 AMCCRAVBYRKXJC-MOSHPQCFSA-N 389.462 5.583 50 40 GKGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCCC(C)C)cc2)cc1 409139668 CSAOFSJFSXUXHM-XQNSMLJCSA-N 384.545 5.052 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 4115177 CWMOTEGAXGHXPY-ZTNFWEORSA-N 390.918 5.206 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1 4248162 DPFCRCVHOBNPSK-FOWTUZBSSA-N 378.225 5.499 50 40 GKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccccc2Cl)o1 4551285 LBFOFGQMAXBVOY-MFKUBSTISA-N 388.854 5.446 50 40 GKGB Br[C@@H](c1ccc2c(c1)OCCO2)[C@H](Br)c1ccccc1 4776218 TXBCLVCVSXZVHK-CVEARBPZSA-N 398.094 5.030 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 5928507 JFXFDRGERVXGGD-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] 33608330 BWPNSRLRZLFYKD-YBEGLDIGSA-N 375.340 5.136 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1 252481721 CQXIPBZNUNNKCS-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC 408552008 RESWYRUNLMGSKH-MTJSOVHGSA-N 387.866 5.968 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@H](/N=C/c1ccccc1)C(F)(F)F 1885288 MGMQZTWCGXTNGM-KXWHUPIZSA-N 387.341 5.008 50 40 GKGB CCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 3515525 ISHZRUSJEWOWKH-NCELDCMTSA-N 389.499 5.200 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3[N+](=O)[O-])n2)cc1 6616467 YVKGMVWHWWDRCI-XDHOZWIPSA-N 389.480 5.981 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3CC)n2)cc1 17185928 GDDFZYBXJMAYDW-JXAWBTAJSA-N 375.497 5.748 50 40 GKGB C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@@H]2CC[C@]1(C)C2(C)C 102889171 LSQKTLIPGPORGO-GLYQVZKVSA-N 390.564 5.610 50 40 GKGB N#CC(C#N)=C/C=C/C=C1N(c2ccccc2)c2ccccc2N1c1ccccc1 685944457 OIVGDWHRTVMXFW-JXMROGBWSA-N 386.458 6.348 50 40 GKGB Cc1ccc(C)c(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1 4063769 RJZKHTFTVNGAIB-KGENOOAVSA-N 387.552 6.602 50 40 GKGB CCCCc1ccc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 4148670 VTYXKTYUSJGYFP-XDJHFCHBSA-N 389.524 6.138 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 7164591 JDXYTWVGZNYJSA-NTCAYCPXSA-N 389.282 5.718 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3OC)n2)c1 100368759 HZBIERHYTWLZDO-SDNWHVSQSA-N 397.887 5.457 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1 408799825 LQUUWLRQXQAFPV-SFQUDFHCSA-N 393.849 5.432 50 40 GKGB COc1ccc(NC(=O)[C@@H](Cl)Cc2ccc(C(F)(F)F)cc2Cl)cc1 2243893 UBPFJIGGYXKDNK-HNNXBMFYSA-N 392.204 5.156 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1ccc(Cl)cc1 3272718 VHNVVHUQUSZOMW-GZTJUZNOSA-N 383.875 5.450 50 40 GKGB COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c1 4175044 CQIQENPZYCFBQY-LICLKQGHSA-N 376.481 5.508 50 40 GKGB O=C(CSc1cccc2ccccc12)N/N=C/c1ccc(C(F)(F)F)cc1 4545144 NOGYAUWZPFJLEO-WYMPLXKRSA-N 388.414 5.101 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)c1ccccc1Br 5583678 CRVAYCMHUNGKCV-UHFFFAOYSA-N 379.342 5.840 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccco2)cs1 26786572 BBXMKISZROFNRJ-UVTDQMKNSA-N 378.840 6.381 50 40 GKGB CCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 97965349 SNXKKBCLELFZBX-JJIBRWJFSA-N 382.504 5.085 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408872587 GTUHJWVQVUUWIV-YKFOOOLPSA-N 390.405 5.242 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ccccc4c3)n2)cc1 1302106 UGVXRWOFGHQBGG-XMHGGMMESA-N 383.476 5.948 50 40 GKGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 4082450 NPPCUHBVVPCURZ-OQLLNIDSSA-N 399.277 5.466 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2C)c1 6389564 DWLBAVAYOGBZKY-ZHZULCJRSA-N 385.467 5.039 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccccc1 6627804 FGEJYFVPQGGUKP-WQRHYEAKSA-N 393.845 6.131 50 40 GKGB CCCCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 20814009 DZAJVRGDVPUGAK-FQEVSTJZSA-N 393.512 5.148 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)Cc3ccccc3)cc21 223503517 CBALAURBBJBTHW-WGOQTCKBSA-N 389.543 5.098 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C 223527811 BLXSGKKDDPAATN-BGHCKBSUSA-N 383.923 5.216 50 40 GKGB Cc1cc(C)c(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c(C)c1 5695679 QQASIUWDMKRPIG-HMHNVIDESA-N 389.524 5.099 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3Cl)n2)c1 6451236 WJHMBMZENMLCRH-AUWJEWJLSA-N 387.291 6.190 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c(C)c1 28217373 HBEFIRMLRNXJAW-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2ccccc2c1 33666337 ITNSXGBDTJZXHU-QRVIBDJDSA-N 393.446 6.220 50 40 GKGB CC(/C=C/c1ccccc1)=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 33685345 RVSSFADLPULGQQ-JENSOSHKSA-N 391.474 5.721 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(=O)OC)cc3)n2)cc1 39383884 XIAKVGDQBNJGEN-LDADJPATSA-N 390.464 5.060 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc21 208205164 YLGCZMHRGJRDCH-MOROIOLQSA-N 385.511 5.326 50 40 GKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)c1ccccc1 409047190 NOVUOPWCTPYUCT-VCHYOVAHSA-N 398.264 6.776 50 40 GKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc(-c2ccccc2)cs1 4670454 KQUWAGUUPJFHNM-ZHZULCJRSA-N 380.472 6.667 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1Cl 13895919 WYJKAFMEIFCLCO-YVNNLAQVSA-N 393.657 5.671 50 40 GKGB Cc1ccc2nc(SSc3nc(C)c4cc(C)ccc4n3)nc(C)c2c1 59431809 KWZWPPJFTSIEJS-UHFFFAOYSA-N 378.526 5.606 50 40 GKGB N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2ccc(F)cc2)cs1 100839849 FSKNSSAPYKYGAC-XFXZXTDPSA-N 390.270 6.233 50 40 GKGB CC1CCN(c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)CC1 252502173 UNDCKSZYPUIZSW-XMHGGMMESA-N 377.488 5.185 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)c1 2333198 PFDWGLSQXGNXEZ-DTQAZKPQSA-N 390.464 5.375 50 40 GKGB N#C/C(=C/c1ccc(Cl)cc1)C1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1 5671843 ZSQGJFSBOIKIQH-QDJKKUJYSA-N 385.275 5.613 50 40 GKGB CC1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 5950602 KJFVVZYFAZBCHU-UHFFFAOYSA-N 391.902 5.851 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(F)c4)cc3)[nH]c2c1 35386298 JZPVHRRQNIEFII-UNOMPAQXSA-N 383.426 5.654 50 40 GKGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1ccc2ccccc2c1 408548920 NKEJMJXJDKUGIG-IDUWFGFVSA-N 398.245 5.674 50 40 GKGB C#CCOc1c(CC=C)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC 408550349 GKAVZVPMYQVSAX-XYGWBWBKSA-N 393.486 6.043 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408579846 KLNXVAARXVGORI-NTUHNPAUSA-N 394.685 6.284 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)c(C)c1 408872190 AUUMFCHJEPRMHC-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB N#C/C(=C\c1ccccc1Br)C(=O)Nc1cccc(Cl)c1Cl 1095540 MGVYKLMWMODBCZ-DHZHZOJOSA-N 396.071 5.302 50 40 GKGB N#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21 1106475 LNBVWKUDMKGMQG-RAXLEYEMSA-N 395.249 5.017 50 40 GKGB O=C(Cc1ccccc1)N/N=C/c1cc(/N=N\c2ccccc2Cl)ccc1O 4499609 FRYYZFQRUKWPKF-HVNIOBLQSA-N 392.846 5.154 50 40 GKGB O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1ccncc1 4721689 KBLCPKHZRSGYSI-RVTFTXCGSA-N 395.422 5.120 50 40 GKGB CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N/NC(N)=O 5396171 SFOCYFZQHHWIRZ-XYKWWVFASA-N 387.612 6.336 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3Cl)n2)cc1 6441582 IBFLHAFSTDGILF-ZROIWOOFSA-N 387.291 6.190 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2cc1O 27024553 CRRRFSDJOYQTTQ-CFRMEGHHSA-N 390.826 5.223 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NC3CCCCC3)cc21 208238242 NRTLGSCHHPPWQI-DISPHTKASA-N 399.966 5.418 50 40 GKGB CN(C)c1ccc(/C=C(\C#N)c2ccc(C(=O)c3ccccc3F)s2)cc1 3048821 FMHMPHFPQRSLTK-DTQAZKPQSA-N 376.456 5.248 50 40 GKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 6410743 FYWBCAUGYYCAEI-LFIBNONCSA-N 399.288 5.092 50 40 GKGB CC/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccccc1 15134845 CURYQWHNGBVLMP-BSYVCWPDSA-N 395.300 5.075 50 40 GKGB Cc1ccc(/N=N\c2ccc(N(CCCl)CCCl)cc2C)c(C(=O)O)c1 104184692 XRFDKVDPDHASAL-FCQUAONHSA-N 394.302 5.701 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccc(Br)cc1 408526265 BIMJXZCNQBFKKR-WJDWOHSUSA-N 394.224 5.471 50 40 GKGB CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 408548535 IIDJQRDZBAVKNM-ODLFYWEKSA-N 378.269 6.065 50 40 GKGB N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1ccccc1Cl 408878472 BBZXFWXYNUGBNI-XMHGGMMESA-N 390.845 5.616 50 40 GKGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2ccccc2c1 409012898 LLKXUUTXNDEKBR-YZSQISJMSA-N 382.463 5.546 50 40 GKGB N#C[C@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 409197199 YHVXHOQWJYXOFS-SOAGAIGUSA-N 398.249 5.011 50 40 GKGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1cccc(Br)c1 409250609 RGLCLFRLMLIVDH-PDGQHHTCSA-N 397.316 5.512 50 40 GKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 409387796 QREDWGWPGCPMDU-WJDWOHSUSA-N 399.372 5.061 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)cc1 1299558 WRJIIAPUNGIPAE-SDNWHVSQSA-N 399.422 5.397 50 40 GKGB CC/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 13736736 RFCARSAMNZTYMX-HPNDGRJYSA-N 379.463 5.446 50 40 GKGB COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 35254386 RYEMQRDUZSNXQP-VGOFMYFVSA-N 387.291 6.190 50 40 GKGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 100182386 MUGMYCBDMMTNKL-YYSWYDHSSA-N 391.298 5.530 50 40 GKGB CC(=O)c1ccccc1/N=N\c1ccc(N(CCCl)CCCl)cc1C 104184714 XJKKJVZBTPIMEC-FCQUAONHSA-N 378.303 5.897 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(-c2ccccc2)n1-c1ccccc1 408776637 XWTONQOXZKGEMP-QJOMJCCJSA-N 394.905 7.170 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 8379938 UBCDRCWGKCADJG-UNOMPAQXSA-N 390.826 5.891 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1 14177779 PXDQWNRRNDHSNR-NTCAYCPXSA-N 378.428 5.108 50 40 GKGB N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 20348168 MPNQBJGVDZIWSQ-LJQANCHMSA-N 378.522 5.111 50 40 GKGB O=[P@](Nc1ccc(Cl)cc1)(c1ccccc1)c1nc2c(s1)CCCC2 101023658 MJRZGFJYNHDJDK-XMMPIXPASA-N 388.860 5.016 50 40 GKGB Cc1cc(C(C)(C)C)c(O[Si](C)(C)Oc2ccc(F)cc2)c(C(C)(C)C)c1 195795067 DXXLBKRSXKRDQR-UHFFFAOYSA-N 388.599 6.889 50 40 GKGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)c2cccc(Cl)c2)c2ccccc21 408598639 GVKAWTKNXICETP-SFQUDFHCSA-N 378.859 5.230 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2C)o1 408742970 CZIQZLMQYOPSED-WJDWOHSUSA-N 376.843 5.763 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 409067534 FDEBLWKRWGFCMH-LGMDPLHJSA-N 382.315 7.209 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 409366617 XDGRDSJUDCNJEK-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB S=C(Cl)Sc1ccc(-c2ccc(SC(=S)Cl)cc2)cc1 1574695 TWIDILZWZBUQGB-UHFFFAOYSA-N 375.392 6.585 50 40 GKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)ccc1O 6306914 UDXWSSSOLHOVKW-ODLFYWEKSA-N 390.508 5.787 50 40 GKGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1 17206857 OKQMJYCMPDCEHK-ZXVVBBHZSA-N 384.523 5.656 50 40 GKGB Cc1cccc([PH](Cc2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)c1 104094131 LPCJPFXJHWIKBQ-UHFFFAOYSA-N 396.514 5.838 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)cc2)cc1 107959252 HOGAOPDMUCUKQN-STZFKDTASA-N 379.463 5.823 50 40 GKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 2774466 IHXXSRHVLWRDJE-QGOAFFKASA-N 388.854 5.986 50 40 GKGB Cc1cn2c(/C=C(C#N)/C(O)=N/c3ccccc3C(F)(F)F)c(C)nc2s1 28624033 BBMYYBNTKYPEQM-KPKJPENVSA-N 390.390 5.227 50 40 GKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)ccc1O 44827355 UDXWSSSOLHOVKW-YBFXNURJSA-N 390.508 5.787 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 58823000 WKLWIULBIRZYNI-XMHGGMMESA-N 388.854 5.465 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)cc1 85879242 BQSUJQMRTOROBZ-GHRIWEEISA-N 375.497 5.919 50 40 GKGB CCCCCCCCCCCCCCCCOc1ccc(C(=O)NN)cc1N 104099459 JAXBEUQIBACQBB-UHFFFAOYSA-N 391.600 5.732 50 40 GKGB Cc1c2ccccc2c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc12 408726473 SYIYLPWWUATVFK-CVKSISIWSA-N 386.882 5.648 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C 408804004 BROBFGNDMMLRRA-KZHXTJCYSA-N 376.500 5.230 50 40 GKGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3cccc(Cl)c3)c2c1 409007955 SLRLPWJVQQNXRO-OYKKKHCWSA-N 396.874 5.055 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)CC)c(Cl)c2)c1 409012398 JTZKKZJCFAEGJP-QJISPJEISA-N 398.890 5.462 50 40 GKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 409255116 HEOXQIDDEXSGHV-MFKUBSTISA-N 394.902 5.590 50 40 GKGB CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccoc3)c3ccccc3n2)cc1 1003366 UUKOTDIMZAAFIG-AEIQVQRHSA-N 397.478 5.772 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 5527886 MEXBACICBHAXJN-LUJRCDHRSA-N 376.843 5.384 50 40 GKGB Cc1ccc(/C=C/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)o1 15057319 PHPXAMVRQBEIAW-YCACLHEQSA-N 386.432 5.438 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\C=C\c3ccc([N+](=O)[O-])cc3)n2)c1 33720965 HVQZTSWILUVICB-JVMMSCJMSA-N 389.436 5.347 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cccc(OCc4ccccc4F)c3)[nH]c2c1 51105159 DBAQCHJIMMZTJF-UNOMPAQXSA-N 383.426 5.654 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3F)n2)cc1 90427185 RJTMHUHTASJNEU-ATVHPVEESA-N 395.478 6.263 50 40 GKGB N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F 97990786 HDIJDLZOSJMKDG-XFXZXTDPSA-N 384.279 5.270 50 40 GKGB CC(C)=C[C@H]([C@@H](O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1 98175064 FOACQDQSDXLHMH-RPWUZVMVSA-N 382.484 5.277 50 40 GKGB CCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 105424702 WMRRUKMFFJEIJD-LFVJCYFKSA-N 386.923 5.730 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc2ncccc2c1 165534313 BHAYGDDMUGCQPZ-BKUYFWCQSA-N 383.882 6.360 50 40 GKGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 301398930 LOFAWSSIZVHHFJ-UYRXBGFRSA-N 378.472 5.037 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408870449 DUKFOWZONJZNPS-CPNJWEJPSA-N 388.854 5.465 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)c1 408877001 SKUGNVKVMPSIBV-PCLIKHOPSA-N 394.518 6.057 50 40 GKGB O=C(Nc1ccccc1SCc1cccc(C(F)(F)F)c1)C(Cl)Cl 2577678 NNNNPRXDVNLTJM-UHFFFAOYSA-N 394.245 5.740 50 40 GKGB CCCCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1 13284539 MIEZGMDIBBHWLF-OAQYLSRUSA-N 380.557 6.613 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc12 13372244 QVOJVJMKJSFARA-XSFVSMFZSA-N 378.431 5.547 50 40 GKGB CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1 17113511 BNRURZKFTZXEMA-RVDMUPIBSA-N 395.509 5.413 50 40 GKGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 36047382 FRLHPQFGRNXFLL-QPEQYQDCSA-N 383.816 5.141 50 40 GKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1 58823009 HKUMNTQWBUYZES-CPNJWEJPSA-N 388.854 5.465 50 40 GKGB ClC1(Cl)C[C@@H]1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95676915 CJPCRWMUEXIVKE-GOSISDBHSA-N 386.282 5.174 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408814932 ZVLBYTYUKZFEIR-LICLKQGHSA-N 398.890 5.300 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)cc1)c1ccccc1 409231277 JMLUMCMECGKBBK-TVJQZGFISA-N 384.504 5.622 50 40 GKGB CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 4063661 FGFIDVQPTILFAR-SAPNQHFASA-N 393.487 6.105 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 4547404 QUKVJKZMBIMECP-XNTDXEJSSA-N 397.261 6.108 50 40 GKGB CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 13774549 RLYSQPALABTSOQ-WQRHYEAKSA-N 376.481 5.454 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1CC 408866936 KCVWXNYRSCXKNZ-CAPFRKAQSA-N 384.479 5.737 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)cc1 408938669 QYLFKGDYGWLXDF-JCMHNJIXSA-N 382.463 5.374 50 40 GKGB N#CC1=C(N)OC2=C(CC/C2=C\c2ccccc2Cl)[C@@H]1c1ccccc1Cl 705835 PHVJIUXRWPYOJS-IXDOJHRFSA-N 395.289 5.933 50 40 GKGB aggregator O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)cc1 4775416 UONOHUWTSVQUPP-YVNNLAQVSA-N 393.657 5.671 50 40 GKGB Cc1ccc(SC[C@H](Cl)CSc2nc(O)c3ccccc3n2)cc1 27586405 LOKOHOCDGIFTMH-ZDUSSCGKSA-N 376.934 5.136 50 40 GKGB CCCCCCCCCCCCC(=O)NNC(=O)C1CCC(CCCC)CC1 33354598 QGZHCCQSFPURLQ-UHFFFAOYSA-N 394.644 6.441 50 40 GKGB CCCCCCCCCCCCCCCC#CC(C)(C)OOC(C)(C)CCC 97950407 HHJUSFAQTKOEAS-UHFFFAOYSA-N 394.684 8.777 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc21 208205892 CFYGFXAROHITIC-CICSQNLLSA-N 399.538 5.255 50 40 GKGB COc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(Cl)cc1 226364059 YJSGOEARPOUISO-UHFFFAOYSA-N 390.060 5.069 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccccc1 408580642 DIPAOVYVIVRDIK-PXLXIMEGSA-N 385.463 5.737 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C 408589136 KQXDWBMFURBDDR-WGOQTCKBSA-N 381.479 5.320 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)c1 408876373 OCMIXXQPCWIRPN-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1Cl 4175292 XQZCMVAPRJWLSX-GXDHUFHOSA-N 396.859 5.657 50 40 GKGB CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4812624 VIFIVKCMNICRJK-LFIBNONCSA-N 379.872 5.643 50 40 GKGB COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3[C@H]2Cl)cc1OC 5808611 USJDNYYDOAJQEU-GOSISDBHSA-N 381.255 5.122 50 40 GKGB O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccncc1 6276854 GJZRHJROCIDYBO-ZXVVBBHZSA-N 392.462 5.315 50 40 GKGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12040166 RGFOEHRXUCROQC-CTHDPYQKSA-N 389.499 5.025 50 40 GKGB CC[C@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Cl)cc2s1 20132356 VMXPEMRLIZHRDC-JTQLQIEISA-N 375.719 5.185 50 40 GKGB O=C(CCCC[C@H]1CCSS1)N1CC=C(c2c[nH]c3ccccc23)CC1 42037011 ZGOGYPAWKWMZBR-KRWDZBQOSA-N 386.586 5.498 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(F)F 408544314 VJHYTICNVRGWDM-DHDCSXOGSA-N 383.398 5.244 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 408581459 XAEPSSSGMSHRRT-RIYZIHGNSA-N 392.680 5.574 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1 408791062 VLWLHNDOTCKBSN-YBEGLDIGSA-N 385.269 6.604 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1cccc(Cl)c1 408886266 JHBSIFPRROQIEX-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1 1759447 HYUAUXQISNIYJN-WOJBJXKFSA-N 393.280 5.300 50 40 GKGB ClCN(CCl)c1ccc(/C=N/Nc2nc(-c3ccccc3)cs2)cc1 5274520 XACCODKQGXATOH-UFFVCSGVSA-N 391.327 5.455 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc([N+](=O)[O-])c1 6225097 GNYDLATYYZEKGH-NTEUORMPSA-N 395.758 5.481 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccccc2F)c(C)n1-c1ccc(Br)cc1 34861906 AYIVFUQMNFDIJC-SFQUDFHCSA-N 395.275 6.060 50 40 GKGB C/C=C/[C@@H]([C@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1 98175074 TXTZOAHOWWVHSJ-FUHBPKKJSA-N 398.527 6.057 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(-c2ccccc2)n1-c1ccccc1 408772633 PZMSEVCQCHCPTN-KQWNVCNZSA-N 394.905 7.170 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 409243749 YAWWSCGQLPEZFB-NFBGKYEXSA-N 389.886 5.224 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 843404 JAMLMRHODQMPAM-WOJGMQOQSA-N 377.831 5.720 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(C)C)cc3)n2)cc1 4603959 PNZZASFSAJZFIX-HZHRSRAPSA-N 386.564 7.340 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 59335490 QDDFDOQAHVADIM-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)cc1 408896806 TUFONRAYVKSBBT-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Br)cc1 408924727 NXULMILOQHQCBO-DHZHZOJOSA-N 396.071 5.302 50 40 GKGB CC(C)c1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408970995 CHBQNXAODLJTMT-YVNNLAQVSA-N 391.323 6.095 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409043847 AWLRGLYZXJJGHM-TWOGVEJSSA-N 396.918 5.195 50 40 GKGB C=C[Si](ON=C(C)CC(C)C)(ON=C(C)CC(C)C)ON=C(C)CC(C)C 575173429 NEWZDLBDOIOSJW-UHFFFAOYSA-N 397.636 5.966 50 40 GKGB COc1cccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)n2)c1 1791197 CCMSMDSVFRQHPO-OQLLNIDSSA-N 395.871 5.018 50 40 GKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 3167811 PCIXCEKHYNOLSC-OEAKJJBVSA-N 396.899 5.375 50 40 GKGB N#C/C(=C/c1cccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4805483 XNSCXRUPWHMMNF-WQRHYEAKSA-N 383.432 5.936 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Br)s1 7210548 QQFBBPPDEFJJTB-UXBLZVDNSA-N 381.682 5.018 50 40 GKGB Cc1ccc(-c2ccc(/C=N\NC(=O)Nc3ccccc3)o2)c(Br)c1 8368416 MHRLPDXWGNPLTG-MTJSOVHGSA-N 398.260 5.173 50 40 GKGB CC(C)n1ncc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(Cl)nc21 24829373 BJBSNUYACUYBED-NTUHNPAUSA-N 379.876 5.339 50 40 GKGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(OCc2ccccn2)cc1 40139668 DYZMFSPZAXXUNI-XMHGGMMESA-N 393.446 5.240 50 40 GKGB Cc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(C)cc2)cc1 51329690 LEUQRPNRVUXMSV-YAMOPBLLSA-N 392.930 5.665 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 59335127 FUZLDYUIMVUBSE-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2[C@H](C)CC1(C)C 208327712 AWUNJSLUPQNTIP-UEXNTNOUSA-N 384.527 6.048 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(F)c3)cc2[C@@H](C)CC1(C)C 223543574 NYZVCILMSZOWIL-MMDHUZEPSA-N 381.495 5.090 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408788890 GFDYOFIHWFDVME-LICLKQGHSA-N 396.874 5.076 50 40 GKGB C/C(CCc1ccccc1)=N\NC(=O)CSCc1c(Cl)cccc1Cl 409137775 YQIAFPXGEKNYMK-HYARGMPZSA-N 395.355 5.352 50 40 GKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c(C)c1 409378069 NBUMYKVMOINWJA-BKUYFWCQSA-N 399.494 5.271 50 40 GKGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2669636 HHBHIUNJWJONIE-NTCAYCPXSA-N 377.362 5.606 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 6240172 QLTXYHXCPLHNGQ-RMKNXTFCSA-N 386.065 5.846 50 40 GKGB CC1(C)[C@H](Br)C(=O)C[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@@H]12 118928286 ZPVSFFKADISUJX-VWIDRTNFSA-N 381.398 5.998 50 40 GKGB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](CBr)[C@@]4(C)CC[C@@H]32)C1 118931489 BPLVWHHOFCJYCY-URNIPBEBSA-N 381.398 5.975 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)c1 408857776 PUZIXCVGZNPUDH-VXLYETTFSA-N 376.500 5.802 50 40 GKGB O=C(O)CC[C@@H](SS[C@H](CCC(=O)O)c1ccccc1)c1ccccc1 1569985913 JIAUMCISRSSKSK-QZTJIDSGSA-N 390.526 5.580 50 40 GKGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(C(C)C)cc1 13324325 OOEIJLOSVKMZFL-YFYPKNJKSA-N 376.544 5.751 50 40 GKGB O=C(CCSc1ccccc1)N/N=C/c1ccc(Oc2ccccc2)cc1 20243994 JVXDCJXYVMCLBI-HAVVHWLPSA-N 376.481 5.111 50 40 GKGB CC(C)(C#N)c1cc(C(Br)Br)cc(C(C)(C)C#N)c1 72400603 AJUNARPIHUBZNV-UHFFFAOYSA-N 384.115 5.077 50 40 GKGB in-vitro Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2C)cc1 408789632 NJLORDLPQURRIL-WQRHYEAKSA-N 381.306 6.774 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc3noc(-c4ccccc4)c3c2)cc1OC 5234429 MHNNUVDWFDBMLZ-XDHOZWIPSA-N 382.419 5.576 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(F)cc1 33643664 RNVCYTZLQXYPQG-UYRXBGFRSA-N 391.417 6.007 50 40 GKGB N#Cc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 98007019 KCEOOWGQUWFXAD-UHFFFAOYSA-N 378.415 5.367 50 40 GKGB CC(C)=C[C@@H]([C@@H](O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1 98175063 FOACQDQSDXLHMH-ZEQRLZLVSA-N 382.484 5.277 50 40 GKGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc4ccccc4c3)c2)cc1 408888601 XRZCUKBVBMZMPZ-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB O=C(CSCc1ccccc1Cl)N/N=C/c1c(Cl)cccc1Cl 3088738 YSERTXBTWPQYMG-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 7210445 LYKLOMDBSPUORI-LFIBNONCSA-N 376.843 5.356 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1C 16312658 INOWMUUAPHCBCM-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB CCCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1 408534698 WBULUBOYLDQPFY-LFIBNONCSA-N 390.708 6.346 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 409068781 VOUCEWKZCJPDDF-VKAVYKQESA-N 396.943 5.847 50 40 GKGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 3354081 DBXUXHBNLKRVQC-YRNVUSSQSA-N 383.181 5.140 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 15189347 IYNYSUKMEDDAKT-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c3c(cccc13)CC2 59473714 LSLHGWVLVITFMM-KIQCMGJBSA-N 394.927 5.223 50 40 GKGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966719 NBYCJZCGECCGHE-XYGWBWBKSA-N 388.515 5.547 50 40 GKGB O=C(N/N=C\c1ccccc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408968683 BCDCXARZTISISO-ZBKNUEDVSA-N 383.687 5.625 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1Cl 409013039 SJCAHFQHWUTZOP-KWZJRMENSA-N 384.863 5.072 50 40 GKGB O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccc(Cl)cc1Cl 4503221 FVBBLSOSKNJLON-PIBLRHIOSA-N 398.087 5.145 50 40 GKGB N#CC(C#N)=C1C=CC=CN1/C(=C/c1ccc(Cl)cc1)C(=O)c1ccccc1 33738797 FQOZZWFTQZNYBR-HYARGMPZSA-N 383.838 5.251 50 40 GKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 58927944 VAIPGLLVANNUTB-YPZZKDGISA-N 387.719 5.278 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)c(Cl)c1 208204664 NXBMXPXBUOPYBR-GMJSKMFWSA-N 383.923 5.134 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4F)cc3)[nH]c2cc1C 408543485 PKFHEMRCFLZNTA-DEDYPNTBSA-N 397.453 5.962 50 40 GKGB CCOc1c(Br)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 409356528 HPMJCWONCQNUKJ-ZSOIEALJSA-N 392.680 5.574 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(F)c3)n2)cc1 13658265 AYYUTDPQGJKVSM-KAMYIIQDSA-N 383.423 5.464 50 40 GKGB CCN(CC)c1ccc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)cc1 34745804 RDOAYRCESRSKOM-QRVIBDJDSA-N 399.947 5.473 50 40 GKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1Cl 59410628 KKDTVOBZFPAMAR-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408567579 OQVSTRYMRALULF-GRSHGNNSSA-N 392.289 6.337 50 40 GKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl 408815060 UCMZSABBOVKFJO-JJFYIABZSA-N 389.238 5.068 50 40 GKGB CC[C@H](C)n1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc21 409244602 GBLNZTVDSUOQNY-JIVYGXRASA-N 385.511 5.268 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3F)c2)cc1 4616958 QTLJIBXLKNBWKJ-DEDYPNTBSA-N 386.426 5.259 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(\C#N)c3cccc4ccccc34)c2C)cc1 6414977 VCPLVMYQNAWINX-CJLVFECKSA-N 378.475 6.320 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 6428636 VKXUDJJOMVLRDA-NTCAYCPXSA-N 389.282 5.718 50 40 GKGB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 12318523 MQKDJZNKVQJXEX-LAEUHMPSSA-N 387.612 6.336 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCC 107711334 GQPJOBCIISZCOU-UNOMPAQXSA-N 378.428 5.185 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)c3cccs3)cc21 223504840 TXOKULJHYKHUFU-QRVIBDJDSA-N 381.545 5.231 50 40 GKGB CC(C)COc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Cl 409042595 NRHXDJVCZJDBLY-VGOFMYFVSA-N 387.266 6.234 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c2C)c1 409064943 REXJZQREEYEIPX-HYARGMPZSA-N 383.495 5.565 50 40 GKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2)cc1 409239361 MZISXJAYCFYQCD-IWIPYMOSSA-N 386.476 5.656 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCO4)n2)cc1C 1248749 BUYGSSINHYMFRP-MHWRWJLKSA-N 375.453 5.132 50 40 GKGB CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(C)c(C)c1 3170370 JEJCOUUSZJDHSE-UHFFFAOYSA-N 383.520 6.518 50 40 GKGB N#CCCn1cc(/C=C(\C#N)c2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 5258740 FJWIBSPSLQIWTQ-FOWTUZBSSA-N 399.454 5.277 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 5928933 UUMBZVYKLQBNGE-FOWTUZBSSA-N 396.368 5.820 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4)cc3)[nH]c2c1 35045433 GCTKNHXIHCOPAL-UYRXBGFRSA-N 399.881 6.168 50 40 GKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 59117239 ASFJCQSPINTSRR-GXDHUFHOSA-N 375.255 5.328 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)c1 59133221 PHPIOLHHKPQEMT-ZHZULCJRSA-N 386.426 5.259 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(C)cc2)c1C 408961904 VKIJLCKONIVWGR-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB COc1cc(C)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 4031634 CDRFIBKDXIKLPU-FOWTUZBSSA-N 392.842 5.463 50 40 GKGB COc1ccc2ccccc2c1/C=N/NC(=O)c1sc2ccccc2c1Cl 5918512 RXXQLZOXXRTVTM-FSJBWODESA-N 394.883 5.480 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1 6240974 FHKAPAKUIYYMTE-NTCAYCPXSA-N 382.341 5.511 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)c(Br)c1 8368376 GSYFLQCFMJQZNJ-PTNGSMBKSA-N 398.687 6.735 50 40 GKGB Cc1ccc(C)c(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)c1 33719345 GTTUSHQSKZSTKG-YDRQLGOLSA-N 375.497 5.203 50 40 GKGB ClCc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 41127388 NBDJTLYKWADIBQ-UHFFFAOYSA-N 398.687 6.663 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc21 208456327 MSXGDTUZLKOGNS-DHRITJCHSA-N 395.934 5.352 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1 409216531 JBALPCDEOGGCFI-BKUYFWCQSA-N 381.391 5.110 50 40 GKGB O=C(c1ccccc1)[C@H](Cl)[C@@H](c1ccccc1)[C@]1(Cl)CCCCC1=O 2257309 VXYDXULHYXNWKC-SBHAEUEKSA-N 375.295 5.381 50 40 GKGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 2669624 JOPLBBLJFXGSMU-ACCUITESSA-N 378.255 5.894 50 40 GKGB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@@H](Cl)c1ccccc1 3268200 YBLDOBGHJATNJD-HNNXBMFYSA-N 397.714 6.036 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1nc(-c2ccccc2)cs1 4523303 GUMRNOOUVFIRDZ-SFQUDFHCSA-N 388.879 6.788 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Br)n2)cc1C 6478082 OKBXBVXSAKPVOS-YVLHZVERSA-N 395.325 6.254 50 40 GKGB COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1cccc(C)c1 62715487 BDMQVQYQVRFDNB-VOTSOKGWSA-N 395.680 5.124 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408601217 JCHQBDRSZCGWNW-UVTDQMKNSA-N 396.805 5.293 50 40 GKGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408890804 ZMHQFRFSJGRACG-BJMVGYQFSA-N 396.617 5.101 50 40 GKGB CC[C@H](C)n1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 408965727 IECAUBIJUCHOJN-DSKMXOTJSA-N 387.405 5.395 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 1516422 XXPCEIGSFKUUBY-SFQUDFHCSA-N 376.843 5.763 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(Cl)c3)n2)cc1 2286574 WSEFQAUEHYLTKY-GXDHUFHOSA-N 386.307 6.402 50 40 GKGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 4156409 NROSIUALRAMKSJ-GHONEHJGSA-N 393.314 5.209 50 40 GKGB Cc1ccsc1/C=N/NC(=O)CSC1c2ccccc2-c2ccccc21 4514924 DBBWHLRMZMKRJU-WSDLNYQXSA-N 378.522 5.010 50 40 GKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)o1 6174602 JQEOBABIHHJTON-UYRXBGFRSA-N 396.402 6.081 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C(C)C)c(OC)cc1C 6280526 DJVXUITTYQCWHF-AFUMVMLFSA-N 390.483 5.053 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(F)cc1 58822972 CKVRSQMVKSKUHD-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB CC(C)(C)[Si](C)(C)Oc1cc(CCl)cc(O[Si](C)(C)C(C)(C)C)c1 195950088 ROPMCNJAYSUMMU-UHFFFAOYSA-N 387.112 7.193 50 40 GKGB in-vitro Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1C 409191913 QFZTWZXEHZRARV-PDGQHHTCSA-N 381.907 5.022 50 40 GKGB CC1(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)SCCS1 409365099 PWYPXLAOPZMTJK-HYARGMPZSA-N 380.538 5.029 50 40 GKGB Cc1ccc([C@@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1 639083 ODHPUETVBUGHRO-NRFANRHFSA-N 384.504 5.420 50 40 GKGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1C(C)(C)C 4724421 JNKRCTIOFOCRKW-ANZPOQNASA-N 376.500 5.125 50 40 GKGB N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2ccccc2)cs1 7348007 NVXNHYLLTKDCCL-SDNWHVSQSA-N 382.286 5.549 50 40 GKGB O=C(N/N=C/c1ccccc1)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 17206606 HIDQBNZHKOCEDW-RBQFRDKWSA-N 393.490 5.277 50 40 GKGB CCCCCCCCC/C=N\NC(=O)C(=O)N/N=C\CCCCCCCCC 104375717 WIWFSISEOXTBJM-SRPFLQSCSA-N 394.604 5.472 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc(F)c1 409394208 XEOMABIGONBQDO-UNOMPAQXSA-N 386.857 6.546 50 40 GKGB Cc1ccc2cc([C@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)c(Cl)nc2c1 650437 DPXAKSOEZFMVBP-NRFANRHFSA-N 397.865 5.568 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 4322452 AIHWNBMRSFDWAO-XYOKQWHBSA-N 391.710 6.834 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C1 5490131 CWMOTEGAXGHXPY-ZAAXVRCTSA-N 390.918 5.206 50 40 GKGB CCCCCCC/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 8426996 QENLRXVRZLIXRA-RYEBZEHMSA-N 393.531 5.010 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C/c3cccc(OCc4ccc(F)cc4)c3)nc2c1 9263479 CXILOXRBVUQTIU-XDHOZWIPSA-N 383.426 5.654 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 13896182 HWJDCMNVFAVJHY-XNTDXEJSSA-N 395.871 5.018 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OC 15013781 QNHBBKCHIOTBBM-RIYZIHGNSA-N 376.225 5.060 50 40 GKGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59250327 KUCSHZQPLWOOFG-KAMYIIQDSA-N 382.250 5.330 50 40 GKGB Cc1ccc(-c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncnc(N)c23)cc1 196162634 RFVMOIGQWBIQRO-UHFFFAOYSA-N 396.611 5.401 50 40 GKGB in-vitro Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2)cc1 409241603 KGIXHNOEHWTVRJ-CYVLTUHYSA-N 376.525 5.502 50 40 GKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1 409244737 IARMOSAKZBNVJG-YZSQISJMSA-N 396.515 6.063 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OC(=O)c1ccccc1C 4694007 RJHXESIVCMOUNM-QGOAFFKASA-N 391.467 5.135 50 40 GKGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)c2c1 5006966 UQFXAHYOVRXXIB-ZMOGYAJESA-N 391.540 5.217 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)cc1 16736716 MZKYMNBEUCGECO-GJISQHIDSA-N 392.458 5.601 50 40 GKGB CCOc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1OCC 33792749 KIXKKZWTMDLCBI-RVDMUPIBSA-N 382.510 5.750 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 102970590 BTVIJBOOUJPBIX-PTGBLXJZSA-N 390.527 5.649 50 40 GKGB CC(C)c1ccc(P(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1 104157695 NTUMNRFLAZXNBW-UHFFFAOYSA-N 388.535 6.815 50 40 GKGB N#C/C(=C/c1ccccc1I)c1ccc2ccccc2c1 408552436 UHZPBIUYAGXDDS-PDGQHHTCSA-N 381.216 5.509 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1C(C)C 408851824 GKNAVAKYZPAFCM-UDWIEESQSA-N 376.500 5.680 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1cccc(Cl)c1 409214812 UQJLOHGKGWHFAQ-BHGWPJFGSA-N 392.764 5.383 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ccc(C)cc2)o1 1096940 LLINARURIPGRIP-NBVRZTHBSA-N 388.492 5.847 50 40 GKGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1c(Cl)cccc1Cl 3324135 LCHCWTCWNIATFF-YRNVUSSQSA-N 385.172 5.558 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)c(Cl)c1 5777166 CONZVWBNSURMNH-DHRITJCHSA-N 393.273 6.064 50 40 GKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC 59335726 GAIDYMTXMGVPGP-ZHZULCJRSA-N 390.483 5.067 50 40 GKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 83261288 VEIABLNKNSOQQY-RHCGTSLQSA-N 392.967 5.303 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc(F)c1 409389512 BSUIXQQSILFNRA-ZDLGFXPLSA-N 398.264 6.776 50 40 GKGB O=C(CCl)N1c2ccc3ccccc3c2Sc2ccc3ccccc3c21 1574249 HBHPGJFKSZCDRJ-UHFFFAOYSA-N 375.880 6.361 50 40 GKGB CCc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 4155082 PUTQVKQHLDLXAQ-WQRHYEAKSA-N 384.460 5.543 50 40 GKGB N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1 5024183 VVSDXBXIFNUQEZ-NTEUORMPSA-N 390.817 6.546 50 40 GKGB O=C(CC(c1ccccc1)c1ccccc1)NNc1ccc(Br)cc1 32752823 MVOPOAWZTNKHIE-UHFFFAOYSA-N 395.300 5.114 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21 208192544 OQAIHIXHDURAIG-ZCQLHAAUSA-N 377.463 5.093 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21 208239342 KILXOALMHDESMI-SLVCOGOPSA-N 390.918 6.002 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2[C@H](C)CC1(C)C 208303232 QTEYAVSCPQCIHO-OVKKOYPGSA-N 399.538 5.716 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3CC)c2C)cc1 408757664 BJWNCTGKZHFFFV-KQWNVCNZSA-N 397.522 5.765 50 40 GKGB COc1cc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)ccc1OCC(C)C 13020778 KQAIRGILMVOYMR-QPJJXVBHSA-N 388.891 5.113 50 40 GKGB CC[C@@H](Cl)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 299817273 QCNUSOJQZULYQA-GOSISDBHSA-N 375.899 6.433 50 40 GKGB in-vitro Cc1sc2nc(/C(C#N)=C\c3ccc(C(F)(F)F)cc3)nc(O)c2c1C 33617538 AHYMLUFTDODAMU-GHXNOFRVSA-N 375.375 5.097 50 40 GKGB O=C(Cl)/C=C/c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327514 RZPFDDQYWNAQJE-ZZXKWVIFSA-N 379.559 5.507 50 40 GKGB COc1cccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 59435323 HEZLNEGGLUKQFH-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)c(C)c1 208191003 JNLMENJRZFPSPI-HRVJUDJTSA-N 387.527 5.571 50 40 GKGB CC(C)(C)c1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1O 408544804 VGRAIZYWWFETCP-WQRHYEAKSA-N 377.484 5.750 50 40 GKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)cc1 408579037 CLKILTJSZRDFOI-VCHYOVAHSA-N 398.264 6.776 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1 408592479 YMLSVTULDKNZAR-WGOQTCKBSA-N 381.479 5.320 50 40 GKGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1Cl 408828153 JEGDVBDVLAIDDK-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)c1 409013267 UCQBVJWOVMGRKU-VBKFSLOCSA-N 376.387 5.030 50 40 GKGB C[C@H](C(=O)c1ccc(Br)cc1)[C@H](Br)c1ccccc1 1724912 PSXAPZIEBSHLHT-NHYWBVRUSA-N 382.095 5.404 50 40 GKGB C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc2c(c1)Nc1ccccc1S2 5692362 WVPKIWAFGQFJCX-PCLIKHOPSA-N 387.508 5.666 50 40 GKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccccc2)cc1 20243974 AAXFAHLBECFHKM-OEAKJJBVSA-N 396.899 5.375 50 40 GKGB CCOC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 23411610 VJKYJWRGNNDNSQ-OVCLIPMQSA-N 376.239 5.042 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)Nc1ccccc1F 59117136 XJFWGLKXVGQDHK-AQTBWJFISA-N 390.389 5.089 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)cc1Cl 252489225 JLKLZLWNIQHTNY-GZTJUZNOSA-N 376.843 5.763 50 40 GKGB Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)ccc1F 585655912 PDAHTGPBAWVSPZ-SDNWHVSQSA-N 380.806 5.593 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1 1510781 UVUDWVNXNSLAHQ-KAMYIIQDSA-N 383.234 5.799 50 40 GKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1OCc1ccccc1 3167447 OWYXMJMEDUNAQN-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C(F)(F)F)c3)n2)cc1 4063741 RGROWHDXEGJNOQ-PTNGSMBKSA-N 385.414 6.114 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 4813988 DKYZUIAAXXGUIA-YVNNLAQVSA-N 377.202 5.156 50 40 GKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(Oc2ccc(Cl)cc2)c1 5446627 RDSOIRJYAXLBNM-PVAJOEHMSA-N 394.902 5.734 50 40 GKGB N#C/C(=C\c1csc(Br)c1)c1nc2ccccc2n1C(F)F 12544586 WGLZDEUWTATHBP-BJMVGYQFSA-N 380.217 5.320 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C 208194241 IYJIIABDFIBUPG-VJOZSWGJSA-N 387.527 5.517 50 40 GKGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 212592844 OBRCYEVQVHFRLH-WQLSENKSSA-N 384.279 5.270 50 40 GKGB CCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1OC 408539025 DPBHSMVMXFSAMX-PLRJNAJWSA-N 396.531 5.127 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1C 408542878 LLZMGZJZSNHLFM-RVDMUPIBSA-N 384.395 5.412 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c1 408568042 RTLBVMXOIMAWOK-ODLFYWEKSA-N 384.458 5.791 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)c2C)cc1C 408809265 GRQHZJXUHVWWLM-MHUXXMMNSA-N 389.543 5.313 50 40 GKGB CC(C)(C)OC(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408819319 RFZWNCIJUVVERG-SSDVNMTOSA-N 395.286 5.431 50 40 GKGB Cc1cc(C)nc(S[C@@H](C)C(=O)NN=C2CCCCCCCCCCC2)n1 4480359 ZWRPGKHZXCZHFX-SFHVURJKSA-N 390.597 5.351 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1Cl 4544661 DNXVVMCZYPZQEI-YVNNLAQVSA-N 377.202 5.156 50 40 GKGB N#C/C(=C\c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 4985044 ZIUBFXNCAJVICY-FOWTUZBSSA-N 388.879 6.806 50 40 GKGB Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)s1 13027814 HTTGYAMMQNMQRD-MDWZMJQESA-N 387.327 6.007 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(C)cc1 33826610 YIKPFAIZXYYUKI-STZFKDTASA-N 387.454 6.176 50 40 GKGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 59473124 URMSNSCQDFWSMQ-QKIXXSFTSA-N 388.964 5.659 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccccc3F)cc2[C@@H](C)CC1(C)C 223543500 ATXSDTZYUOUHSI-MMDHUZEPSA-N 381.495 5.090 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)c1ccc(Cl)cc1 408581726 ZBEUZBMDROJVIK-CPNJWEJPSA-N 386.857 6.546 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1cccc(F)c1 409071704 RWOFWBXDBQSZKF-OEAKJJBVSA-N 399.465 6.206 50 40 GKGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccccc2)cs1 17081664 XDZZKBINIJTZIR-XNTDXEJSSA-N 399.397 5.375 50 40 GKGB CCCCC/C=C/[C@@H](CCCCCCC/C=C/C=C/C(=O)NCC(C)C)OO 225453832 SWLNXMJZQXZBCB-POSFLONCSA-N 393.612 6.596 50 40 GKGB biogenic,in-vitro CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1 408741872 LSFVQTDIZGZVDF-QJOMJCCJSA-N 397.522 5.982 50 40 GKGB O=C(c1ccc(-c2ccccc2)cc1)[C@H](Cl)[C@H](Cl)c1ccc(Cl)cc1 1685507 BLCZKULWNRFGQZ-WOJBJXKFSA-N 389.709 6.777 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 4115178 CWMOTEGAXGHXPY-CVAIRZPRSA-N 390.918 5.206 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c1 5942893 XGUMQGCSENDPHR-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc(Cl)c1)[C@H](C)CC(C)(C)N2C 208210777 YFIFCWPFAGAGPI-GMJSKMFWSA-N 383.923 5.134 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1)[C@H](C)CC(C)(C)N2C(C)C 223588684 FGSYCZDAZYMSOI-BFTFCADCSA-N 377.532 5.260 50 40 GKGB N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)c1ccc2ccccc2c1 408553542 ZVNZGELHAANRIY-CJLVFECKSA-N 397.930 7.709 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(C)c1OCc1ccc(F)cc1 408854837 ABEOVRJTJFTXLL-FYJGNVAPSA-N 375.418 6.225 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc2ccccc2c1 409191528 YGMAEHOJZVUBIC-HMAPJEAMSA-N 383.495 5.213 50 40 GKGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1cccc(C(F)(F)F)c1 409243237 QXJNHZWAIFQVEE-PDGQHHTCSA-N 386.417 5.768 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NC1CCCCC1 862401 JLMHEFUEAPPNCR-ACCUITESSA-N 389.282 5.609 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1C 408964664 DBHUYDQHYMROSW-HAHDFKILSA-N 397.522 5.819 50 40 GKGB N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 4063670 FGKYFABWDYJQBE-JLHYYAGUSA-N 382.832 5.348 50 40 GKGB N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(F)cc2)cs1 13757160 GHQQVGIFHBVEDI-JLHYYAGUSA-N 389.377 5.945 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc2ccccc12 102952127 YSLSICLSODVDBL-VBKFSLOCSA-N 390.269 7.471 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C(C)(C)C 409230214 CLRJFFMMWOJFDC-YBEGLDIGSA-N 389.421 5.424 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)o1 3246415 HANQNGOROLKFGD-ZMOGYAJESA-N 389.842 5.221 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 5602976 WMQXEZMOEYZYAS-YDZHTSKRSA-N 387.266 5.336 50 40 GKGB Cc1cc2c(cc1C)N(C(=O)[C@@H](C)Cl)C(C)(C)c1ssc(=S)c1-2 6189400 DOHOBENYMKYKBK-SNVBAGLBSA-N 383.991 6.032 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)ccc3OC)n2)cc1 8659714 JKCKDHPWRBKKQP-GZTJUZNOSA-N 392.480 5.290 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccccc3)c2C)c1 28216986 ZMYBLFYKPMFMAC-LFVJCYFKSA-N 391.540 5.035 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 33381628 PNCICHDWBROREE-WJDWOHSUSA-N 384.863 5.073 50 40 GKGB CCCN1/C(=C\C=C(/C#N)c2nc3ccccc3s2)Sc2ccccc21 33459342 PQSZGLZMSFZUJN-KFURHSOJSA-N 375.522 6.067 50 40 GKGB CCN(CC)c1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br 408544606 VFWKVAQLTIXNSS-BOPFTXTBSA-N 399.288 5.058 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1 408896485 NUPXFZILTYRAIR-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CC(C)c1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 13615848 XKUIHBSDHMESFS-ODLFYWEKSA-N 398.487 6.104 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)[nH]c3ccccc23)c1 33248189 MPTDWZQETQYBIR-HKWRFOASSA-N 391.474 5.997 50 40 GKGB FC(F)(C(Br)Br)C12CC3C[C@](F)(C1)C[C@](F)(C3)C2 100405083 PPQUHFBVNFDQPN-MUTHCCDMSA-N 394.044 5.138 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(C)c(C)c1 107566032 NTJSUSQXAIJBJW-WGOQTCKBSA-N 397.478 5.020 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc21 208446938 KOXBJIQWXFNJFV-NDENLUEZSA-N 385.511 5.481 50 40 GKGB Cc1ccc(/N=C2/NC(=O)/C(=C/C3=C(Cl)C[C@H](Cl)C=C3)S2)cc1C 256055890 XZJNUXFHPWNZIB-KHAFMBKQSA-N 379.312 5.098 50 40 GKGB N#CC1=C(N)OC2=C(CC/C2=C\c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 705831 CBGMIOSUEWUDCY-RNTFSAEZSA-N 395.289 5.933 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)cc1 5567513 UONOHUWTSVQUPP-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB C/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(Cl)cc1 17081377 ZYCSBRWLTOCTCQ-ZVBGSRNCSA-N 397.714 6.016 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c3ccccc3cc3ccccc23)cc1 34795833 WXZFPGCKFXJTHO-SILNSSARSA-N 392.458 5.937 50 40 GKGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 59336629 PCBNUHQDNDMXRF-XFFZJAGNSA-N 381.646 5.201 50 40 GKGB O=P(c1ccccn1)(c1cccc2ccccc12)c1cccc2ccccc12 102936237 MCKJJNLVDBMICP-UHFFFAOYSA-N 379.399 5.027 50 40 GKGB O=P(/C(=N/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 103452805 GMCZXBVNXXXZFA-OCEACIFDSA-N 381.415 5.779 50 40 GKGB Cc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1Br 108087566 PGSBJUKIEHTINI-MDWZMJQESA-N 387.327 6.024 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C(=O)O)cc1 408543689 SCNBQKSOMMVYSZ-STZFKDTASA-N 378.431 5.452 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccccc1Cl 409063064 GHYPWTRXABRTQB-QGOAFFKASA-N 381.907 5.103 50 40 GKGB N#C/C(=C\Nc1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4175220 ZFDCJFHSQZZTIH-JLHYYAGUSA-N 382.832 5.348 50 40 GKGB C/C(=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 33794273 CFJLBKFNHOLADM-JLPGSUDCSA-N 394.927 5.786 50 40 GKGB CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 59473811 GIHDGLVJCRQQAE-LFVJCYFKSA-N 390.508 5.142 50 40 GKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cn2ccccc2n1 96991414 XSQQBCLJDUQKKW-HKWRFOASSA-N 387.446 5.251 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccccc2)c1 408806000 DOMWTRZCFUQKEC-KGENOOAVSA-N 398.462 5.128 50 40 GKGB COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccccc3)c(-c3ccccc3)[nH]c12 408839930 BLQAGXBDVZVCRO-OBGWFSINSA-N 393.446 5.389 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1C 408848305 TVVFZZWPBGQUKI-QFEZKATASA-N 385.467 5.221 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2c1 4503319 WLYRLZQNNKJKDD-YZSQISJMSA-N 380.447 5.183 50 40 GKGB C/C(=N\NC(=O)NC1CCCCC1)c1ccc2c(c1)Nc1ccccc1S2 4881997 LFRNKWGQNBJJSX-ZVHZXABRSA-N 380.517 5.251 50 40 GKGB O=C(O/N=C(/c1ccccc1)[C@H](Br)c1ccccc1)c1ccccc1 5048966 HVJVRICSBHAWND-IGTQYIEMSA-N 394.268 5.384 50 40 GKGB Cc1ccc(Cn2cc(/C=C(/C#N)c3ccc4ccccc4c3)c3ccccc32)cc1 6814220 KGHDTEMYNURRLG-ONUIUJJFSA-N 398.509 7.215 50 40 GKGB COc1cc(Br)c(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 16194809 NJFNYAXSRAQWSY-NTUHNPAUSA-N 378.653 5.184 50 40 GKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1ccc(C(F)(F)F)cn1 22958429 VFUQGUWHLCSHET-UKTHLTGXSA-N 388.780 5.312 50 40 GKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc(C)c1 108851705 YHGMICIFXKWEOO-STZFKDTASA-N 398.462 5.128 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc21 208435931 ZLSUKARDKDALLJ-WGOQTCKBSA-N 383.495 5.235 50 40 GKGB BrC(Br)c1ccc(-c2nc3ccccc3s2)cc1 216828056 CIHYMEBPHLMWIG-UHFFFAOYSA-N 383.108 5.752 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 409009525 GAYJIZHEBQOOKY-PTNGSMBKSA-N 379.822 5.124 50 40 GKGB C=CCn1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 409391791 LIHMPYRXMOLZLM-OVVQPSECSA-N 393.490 5.110 50 40 GKGB Cc1cc(C)c(CSc2ccc(Br)cc2)cc1C=C(C#N)C#N 1085023 SQFKWQPLZNHIGW-UHFFFAOYSA-N 383.314 5.789 50 40 GKGB C=CCc1ccccc1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 3174396 UFJUAXIODZCITF-WPWMEQJKSA-N 394.474 5.251 50 40 GKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 3184091 YMUGHYATAFRVCV-MFKUBSTISA-N 388.854 5.446 50 40 GKGB Cc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(C=C(C#N)C#N)cc2)o1 5576492 SIEJOIAEPNNLEG-HXUWFJFHSA-N 384.464 5.436 50 40 GKGB N#C/C(=C\c1ccc(I)cc1)c1cccc2ccccc12 6496568 UEBZOFAEPVYKDS-FOWTUZBSSA-N 381.216 5.509 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2s1 35387497 XZUMPPMBUSCRRS-DTQAZKPQSA-N 388.517 6.505 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)Nc3ccccc3)cc21 208464663 QDQHLELPOUXPTI-QRVIBDJDSA-N 382.895 5.127 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1 409001693 QMDYIKJPXZXKSM-OVVQPSECSA-N 393.490 5.525 50 40 GKGB C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 409038714 ATJPLWJELADYFD-OQLLNIDSSA-N 387.266 5.412 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2)cc1 59133272 HCFXTTRLGGWDST-JCMHNJIXSA-N 382.463 5.428 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)c1 408868098 MKRAKWOAJIMXBO-PCLIKHOPSA-N 394.518 6.057 50 40 GKGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(-c2ccccc2)cc1 4598948 ZZCJOCOWBKKDDO-YZSQISJMSA-N 380.447 5.366 50 40 GKGB CC(C)(C)c1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 107616427 LGSPFJNWPDCQTK-YVLHZVERSA-N 378.472 5.960 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408580163 ATJQYEPDYYGNDG-DEDYPNTBSA-N 375.855 5.992 50 40 GKGB CCc1cccc2c(/C=N/NC(=O)c3cc4c(s3)CC[C@H](CC)C4)c[nH]c12 3438199 KKUCGAXYFQYIAY-KIQCMGJBSA-N 379.529 5.071 50 40 GKGB N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 4785708 OUKRXASNFWBCKA-GHXNOFRVSA-N 391.710 6.834 50 40 GKGB C/C(=N\NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc(Cl)cc1 5659674 DVAXQDKFDIKEOF-ZVHZXABRSA-N 383.854 5.041 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c1 5740581 ITIXVVWKNYTVQV-CVKSISIWSA-N 397.478 5.025 50 40 GKGB CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)=C\c1ccccc1 17016146 FKQKOYIGRYLRSG-HXWVNQCUSA-N 399.281 5.203 50 40 GKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 83261287 VEIABLNKNSOQQY-QGZPSTLZSA-N 392.967 5.303 50 40 GKGB biogenic CCN1c2cc(C)c(/C=C(/C#N)C(=O)NC3CCCCC3)cc2C(C)=CC1(C)C 208518442 ABZXENHHGJXCIE-MOSHPQCFSA-N 391.559 5.373 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 408795825 NGDFHRLBJCRYQC-XNTDXEJSSA-N 397.261 6.108 50 40 GKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 409184055 ICAFWIDKHADLGS-NHDPSOOVSA-N 389.839 5.379 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 4175113 JFMGOWIVHMERQD-ZSOIEALJSA-N 397.843 5.444 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1Cl 5214367 IDVDXGDTORNSJV-SDNWHVSQSA-N 383.234 5.799 50 40 GKGB CN1/C(=C/C=C(\C#N)C(=O)Nc2cccc3ccccc23)C(C)(C)c2ccccc21 5809571 NDNSNAXGBUDDFN-NZWMEJTDSA-N 393.490 5.540 50 40 GKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1Cl 17081376 BPESAHNIMJXMKU-ZVBGSRNCSA-N 397.714 6.016 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3cccc(C(F)(F)F)c3)[nH]c2c1 51105161 CPDJYZUTWXWNHW-PTNGSMBKSA-N 392.384 5.745 50 40 GKGB N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1cccs1 102586995 JLYVQYWOJFBJAK-IBGZPJMESA-N 378.522 5.951 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)cc1 408760642 CGQCXESDVUVIAP-HAHDFKILSA-N 397.522 5.819 50 40 GKGB Cc1cc2ccccc2c[n+]1CCCCCCCCI 1579154 ZVGTXSIAPPPBAA-UHFFFAOYSA-N 382.309 5.211 50 40 GKGB Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 4135188 BCYOOVLIXGLLEI-CPNJWEJPSA-N 391.515 6.433 50 40 GKGB Cc1cccc(OC[C@@H](CCl)S[C@@H](CCl)COc2cccc(C)c2)c1 5619724 NTRZMPXIFJDBQT-BGYRXZFFSA-N 399.383 5.709 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3Cl)n2)cc1C 8664757 RSSNAUDBBCAVMM-CXUHLZMHSA-N 385.319 6.798 50 40 GKGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1 20243964 HYVVBNLVTPROAM-BUVRLJJBSA-N 390.508 5.171 50 40 GKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 59473179 GUJKBCDBIQBCOB-YPZZKDGISA-N 387.719 5.278 50 40 GKGB Cc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)s1 408848018 OYKSVHGVFQHEHQ-XYGWBWBKSA-N 399.519 5.587 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1C 409010979 FAKUGLMXLGDEDK-PDGQHHTCSA-N 389.886 5.602 50 40 GKGB N#C/C(=C/c1c(Cl)cccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 6500073 AIHWNBMRSFDWAO-WQLSENKSSA-N 391.710 6.834 50 40 GKGB COc1ccccc1/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 35062993 WWCWPMSCEDEKIJ-OQLLNIDSSA-N 397.297 5.645 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 408762659 PZQDMCZAARHLBA-VBKFSLOCSA-N 387.395 5.017 50 40 GKGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 408794524 IUHCTOKNGILZCQ-LICLKQGHSA-N 398.890 5.300 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2)cc1 408808391 GCYJCIXDVYKOEK-ZHZULCJRSA-N 386.426 5.259 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1O 408989698 LKPBSHRCGYBABE-GZTJUZNOSA-N 396.874 5.027 50 40 GKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 409000422 SXKFYWVEJKEIEZ-ONUIUJJFSA-N 387.527 5.084 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)NCCCc1ccccc1 409250167 MMDMFYCAVSTUCB-MNDPQUGUSA-N 388.492 5.087 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(Cl)c3)n2)c1 13659650 PXKYAZJZWLSSGC-RAXLEYEMSA-N 385.851 5.588 50 40 GKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1 33406575 XQVHUWSLTMLVJR-PTNGSMBKSA-N 388.298 5.385 50 40 GKGB CCCCCCCCCCCC(=O)N/N=C/C(C)=C/c1ccc(C(C)(C)C)cc1 97962854 PTTVIOTWLANDAY-MZQYRVRXSA-N 398.635 7.410 50 40 GKGB COc1cc(/N=N\c2cccc(C(=O)O)c2)ccc1N(CCCl)CCCl 104184701 QESPBCZLGMXBOK-DQRAZIAOSA-N 396.274 5.093 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)Cc1ccccc1)[C@H](C)CC(C)(C)N2C(C)C 223592296 IQIRJULGMMHBGC-DZTFFZQKSA-N 391.559 5.188 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)cc1 408762808 LHVSIDDWSYUHJZ-QNGOZBTKSA-N 375.516 5.012 50 40 GKGB N#C/C(=C/c1cccc(Cl)c1Cl)c1nc(-c2ccc(F)cc2)cs1 4175085 IXSSRNXWRUABCH-JYRVWZFOSA-N 375.255 6.320 50 40 GKGB N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1Cl)c1nc2cc(Cl)ccc2o1 5568309 FOTDSPFJPQPKCK-HJWRWDBZSA-N 375.171 5.019 50 40 GKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 6225852 UDPFWOKMCWPMDE-GHRIWEEISA-N 391.496 5.366 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1Cl 6338674 DDSHMWKYJIMQBD-PCLIKHOPSA-N 392.886 5.002 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 408582676 OUJYDNJZCSGLEA-HZHRSRAPSA-N 399.490 6.046 50 40 GKGB CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408810833 UXCNKGDCNZBIPM-NTEUORMPSA-N 375.255 5.326 50 40 GKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1F 4135179 VSQVSXGMXDYIFO-UYRXBGFRSA-N 385.467 6.387 50 40 GKGB CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 5418489 XPTGQXSDEUJXAL-OAQYLSRUSA-N 382.891 5.387 50 40 GKGB CCCCCCc1cc(C(=O)N/N=C\c2ccc(Cl)cc2)c2ccccc2n1 31629147 SHVAUWLSVCZMHG-XYGWBWBKSA-N 393.918 5.775 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 39884398 BMAJGSUIJWFSKQ-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB ClC[C@H](Cl)CCCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100369937 HAWCFLYPEAVOKJ-VXGBXAGGSA-N 391.037 7.321 50 40 GKGB in-vitro Cc1cc2c(cc1/C=C(/C#N)c1cccc(Cl)c1)[C@@H](C)CC(C)(C)N2C(C)C 223597014 YTSVTLXZZIZKFO-DUQUIBLKSA-N 392.974 7.213 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1OC 408581738 ZCAOYIVLBBEMHA-HYARGMPZSA-N 385.463 5.655 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)c1 408866332 GTZSPBIFNIXXPP-HYARGMPZSA-N 384.454 5.579 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 409049410 WRBFXEYYJZIJIU-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 5773699 BSLJEOHAALJGDV-XMHGGMMESA-N 388.854 5.465 50 40 GKGB Cc1csc(/C(C#N)=C\c2ccc(COc3ccc(Cl)cc3Cl)o2)n1 6925363 KICSONTTWHHRNE-SDQBBNPISA-N 391.279 5.995 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 59201492 PHQNDIJRADEQLP-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB CCO/C=C(\C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(C)cc2)s1 80345978 YWIYWEOLIMVWRA-NBVRZTHBSA-N 389.480 5.272 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408785244 XLIUIWICWVELHA-QNGOZBTKSA-N 388.942 7.109 50 40 GKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)c1ccccc1 409048434 SXKNBWUZTRLSDZ-VCHYOVAHSA-N 398.264 6.776 50 40 GKGB Cc1c(/C=C(/C#N)c2cccc(F)c2)c2ccccc2n1Cc1ccccc1F 409391553 IPWWILDHWVTXAA-ZHZULCJRSA-N 384.429 6.340 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1)c1ccccc1 3258973 NDGICUBWNXCRBA-CKMDTHJYSA-N 382.463 5.050 50 40 GKGB Cc1ccccc1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 4063621 BYOUOBHBQYVLIH-RVDMUPIBSA-N 396.313 5.858 50 40 GKGB O=C(c1ccc(Cl)cc1)C(Cl)(Cl)[C@@H](Cl)c1ccc(Cl)cc1 8615671 HVBWKHVEGFWBFN-ZDUSSCGKSA-N 382.501 6.330 50 40 GKGB N#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 16672965 CFZZADXOWRFQHZ-AQHRCUNFSA-N 393.309 6.193 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 33406433 HJIPQSLNEAJZNS-BOPFTXTBSA-N 393.849 5.432 50 40 GKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1 58871270 ZPWHLWXHELMLQP-YZSQISJMSA-N 380.447 5.183 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc21 223480894 HBIIODYYPBQJMA-XKZIYDEJSA-N 399.538 5.320 50 40 GKGB CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1 408767505 LUNQNPTWHSMVEX-UNOMPAQXSA-N 378.472 5.054 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408796188 XIQXMARZJOAZQZ-OVCLIPMQSA-N 389.282 5.555 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3CC)c2C)cc1 408936870 QBYFWBUHBHCQLR-XYGWBWBKSA-N 388.515 5.375 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1Cl 4544031 IGZSNRFFIUKPCU-JLUADYMRSA-N 392.846 5.533 50 40 GKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C 5752151 KTZRWJAVOAWPLF-WJDWOHSUSA-N 376.441 5.312 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1C 6421486 IDALZVRHWGWGMD-LFIBNONCSA-N 376.441 5.312 50 40 GKGB CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 33936241 NFXZDTCVCVBRRP-VBHSOAQHSA-N 396.947 5.267 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)o2)cc1 59137777 RGXCHDLLFBHRBY-VBKFSLOCSA-N 385.410 6.822 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)c1 408875377 FABVQFKRWBJDQL-RCCKNPSSSA-N 386.882 5.785 50 40 GKGB CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1 409042366 MPCBKTKRWBZZLM-OVCLIPMQSA-N 389.282 5.574 50 40 GKGB Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1 6571350 JCVJURSIZOHQLN-GZTJUZNOSA-N 390.468 5.620 50 40 GKGB Cc1n[nH]c(C)c1[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102923149 NRQLIVJRIBKRAG-DEOSSOPVSA-N 386.435 5.130 50 40 GKGB ClCCn1c(/C=C/c2nc3ccccc3n2CCCl)nc2ccccc21 104118134 SZMCFBSYHULBIM-MDZDMXLPSA-N 385.298 5.034 50 40 GKGB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](CBr)[C@@]4(C)CC[C@@H]32)C1 118931488 BPLVWHHOFCJYCY-IFBUNOGVSA-N 381.398 5.975 50 40 GKGB COc1ccc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1 408579000 CHSHRPVCBKMJFM-MDWZMJQESA-N 393.078 5.284 50 40 GKGB COc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1Br 408586485 NDQDZLMSKYDUEM-SDQBBNPISA-N 383.072 5.829 50 40 GKGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408764470 IUARBTGQEOLCMZ-XFFZJAGNSA-N 396.071 5.302 50 40 GKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl 408787458 AJSKDNRDWGEPBO-OQLLNIDSSA-N 387.266 5.412 50 40 GKGB N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1302756 VDXQMDYHRZHCPZ-LFIBNONCSA-N 398.447 5.064 50 40 GKGB N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2283236 KWAQYNWUNHGKHN-XFXZXTDPSA-N 390.270 6.233 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)c1 4063731 UUCXLZVKWSLGDK-GHRIWEEISA-N 375.497 5.919 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 4460560 KQIZTORUBJRQMV-QINSGFPZSA-N 378.815 5.154 50 40 GKGB CC(C)(C)C1CCC(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 5632368 JUPAVQKADQAUAH-UHFFFAOYSA-N 399.538 6.224 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 7351724 DLUPPUZFLDNGLC-LICLKQGHSA-N 398.890 5.300 50 40 GKGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCCO2 97997536 SBQISMZCCLCQIC-DHDCSXOGSA-N 392.842 5.081 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2C)o1 252497159 QABRNQSJPTULSJ-FOWTUZBSSA-N 376.843 5.763 50 40 GKGB Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)c2n1 1244338 ZCZCISDCRCEYQV-DEDYPNTBSA-N 396.519 6.260 50 40 GKGB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(SC#N)c(Cl)c1 5489174 DMLJEAOBEKQQQE-MHWRWJLKSA-N 396.903 5.249 50 40 GKGB CC(C)c1cc(Br)cc2sc(NC(=O)CCCCl)nc12 20133593 OWZDQJVPYQSCKT-UHFFFAOYSA-N 375.719 5.140 50 40 GKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1 59472843 VRRDUMAUXZUMIZ-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB O=[N+]([O-])c1ccc(S[C@H]2CCCCCC[C@@H]2Br)c([N+](=O)[O-])c1 1638423 YVKZGGMTGLRVBA-AAEUAGOBSA-N 389.271 5.081 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NC1CCCCC1 32138820 BPQGFBITAVHRMY-QINSGFPZSA-N 388.389 5.321 50 40 GKGB ClC[C@@H](Cl)CCCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100369933 HAWCFLYPEAVOKJ-NEPJUHHUSA-N 391.037 7.321 50 40 GKGB in-vitro CCCCCCCc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1 100916125 NTTVBOWTBMZTPK-DEOSSOPVSA-N 396.534 6.291 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 408582509 OMDGZKVWDASNHE-KGENOOAVSA-N 398.462 5.085 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408793913 HAFIHTZFSKDGCV-VGOFMYFVSA-N 375.255 5.165 50 40 GKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1 408808197 DPDIOQJQRJHULI-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 937133 KTLXSDPMSKCIRC-GXDHUFHOSA-N 397.261 6.108 50 40 GKGB COc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)ccc1OCc1ccccc1 4155084 IBUSMFOGNNQZQK-ODLFYWEKSA-N 388.492 5.672 50 40 GKGB Cc1ccsc1/C=C(/C#N)c1nc(-c2cccc(Br)c2)cs1 4175170 RDQQDEXSRGETAX-JYRVWZFOSA-N 387.327 6.007 50 40 GKGB COc1ccc2ccccc2c1SSc1c(OC)ccc2ccccc12 5720936 NMSNXTQURXVTLH-UHFFFAOYSA-N 378.518 6.810 50 40 GKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2ccccc2F)c1C 33728663 JNDKJWJPJRLMPP-BOPFTXTBSA-N 391.402 5.214 50 40 GKGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(Cl)cc4)nc(O)c23)C1 33856997 ONZHGSQTDGPEIT-NASPGAHYSA-N 381.888 5.239 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)c3c[nH]c4ccccc34)o2)cc1Cl 36636058 LHUCTPOYJAQAGY-MHWRWJLKSA-N 386.838 6.180 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)cc1 58926973 FYLKPLRRXVEJTI-IERINAHZSA-N 391.540 5.033 50 40 GKGB FC(F)(F)c1cc(Cl)nc(Cl)c1[C@H](Cl)c1ccc(Cl)cc1 91695092 DCTWCUDZPBLPKU-LLVKDONJSA-N 375.004 6.389 50 40 GKGB N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1cccc(Cl)c1 408878165 XHGZICIKVWZNBF-CPNJWEJPSA-N 390.845 5.616 50 40 GKGB CCCCCCc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 4696881 ZCODCBQWKBJNHY-BWAHOGKJSA-N 388.515 5.354 50 40 GKGB CC(C)c1ccc(-c2cc(C(=O)NN=C3CCCCCC3)c3ccccc3n2)cc1 5727528 JNGQUNRUVGVNBU-UHFFFAOYSA-N 399.538 6.465 50 40 GKGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 15012570 ZTMSIBGRXMAZCB-POHAHGRESA-N 386.065 5.846 50 40 GKGB C[C@H]1C/C(=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)CC(C)(C)C1 33043971 RXCCFGXIOFNNAH-BDKXHVGHSA-N 375.472 5.427 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 33957623 BYCBZMNVNSZZDC-YZSQISJMSA-N 396.446 5.405 50 40 GKGB Cc1ccc(CSCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 59473351 ZZHJWEKEWATSQK-CVKSISIWSA-N 398.531 5.685 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc21 208453933 QIBNWIOOLQKRGV-MTJSOVHGSA-N 399.538 5.789 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3cccc(Cl)c3)cc2C(C)=CC1(C)C 208522975 NPXFBMDNSWEITC-JAIQZWGSSA-N 376.931 6.734 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1 408539227 GCANIIJKCYQVPN-XDJHFCHBSA-N 384.317 6.472 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(Cl)c1 409050808 AAIKVRWVTMUNFA-DHRITJCHSA-N 396.849 5.130 50 40 GKGB CC(C)COc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl 409053918 DPDDHNRHUCOHMQ-VGOFMYFVSA-N 386.282 5.969 50 40 GKGB Cc1ccc(SSC[C@H](O)[C@@H](O)CSSc2ccc(C)cc2)cc1 1617542 FMZZGVNNDQNDED-ROUUACIJSA-N 398.640 5.206 50 40 GKGB O=C(c1ccccc1)[C@@H](CBr)[C@H](Br)c1ccccc1 1660023 KUFJRYXCKFQGHE-LSDHHAIUSA-N 382.095 5.017 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(F)cc2)nc1-c1ccccc1 4981098 OKBVMJQQCANMOL-FOWTUZBSSA-N 377.444 5.362 50 40 GKGB CC[C@H](C)n1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21 6940515 ZBFWVTKWIAEKKY-GIEPYWIESA-N 399.947 5.508 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3Cl)cc2[C@H](C)CC1(C)C 208320907 HUBYULWZNSDXJS-FRQJIFLKSA-N 397.950 5.524 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408581156 GVSRMNJJKHNGEN-XSFVSMFZSA-N 375.855 5.992 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)cc1 408746118 XKLQLNNFSQINLO-JCMHNJIXSA-N 382.463 5.428 50 40 GKGB N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1cccc(Cl)c1 4743269 NERMXEWVOKXFCA-RGVLZGJSSA-N 389.838 5.681 50 40 GKGB O=C(/C=C\c1ccccc1)[C@@H](Br)[C@H](Br)c1ccccc1 5004957 QWRCGOMWOXYYBU-XMNQGQKYSA-N 394.106 5.169 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1 408819097 WRBIOYMZTGTXII-HMMYKYKNSA-N 384.479 5.735 50 40 GKGB Cc1cc(C)c(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)c(C)c1 408985540 MSQDMXVPIJCBAL-KGENOOAVSA-N 393.490 6.131 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C/c1ccccc1Sc1ccccc1)c1ccccc1 409237941 YCVOEXHCDJDHDN-SAGAUJLNSA-N 384.504 5.622 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1 4115175 GWTXVLCYCBNNRY-LIVBEALHSA-N 390.918 5.206 50 40 GKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4502203 LHYUCLDQJWKURH-AFUMVMLFSA-N 396.531 5.068 50 40 GKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 4953596 ZUWQTVLKQNINLV-QGOAFFKASA-N 399.406 5.241 50 40 GKGB O=NN(CCCl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12 5004867 FHBQPKADXQTYOW-UHFFFAOYSA-N 377.831 5.900 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccccc1Cl 28217389 DYZKNTMWDGVAGB-FSJBWODESA-N 386.282 5.165 50 40 GKGB C/C(=N/NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc2ccccc2c1 96399249 UKCPDJIUDZCIAT-PKAZHMFMSA-N 399.469 5.540 50 40 GKGB CCCC[Sn]1(CCCC)OO[C@H](c2ccc(C)cc2)O1 195999606 FWOKHOXWWXFHOS-VFIYQRISSA-M 385.092 5.014 50 40 GKGB COc1ccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 408599256 QYNGYGHJKBAZNK-UVTDQMKNSA-N 380.787 5.581 50 40 GKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1C1CCCCC1 408739755 FKPUHVLWEZGQMH-YZSQISJMSA-N 387.527 5.456 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408794472 JHEASTJOROTRDK-SFQUDFHCSA-N 390.870 5.746 50 40 GKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408886378 KKCDRIUBOXGEHP-DTQAZKPQSA-N 399.288 5.174 50 40 GKGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 111904462 GMIVQXAFXHHECN-POHAHGRESA-N 396.617 5.101 50 40 GKGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408745902 WHVPFGWZCMXAJS-XFFZJAGNSA-N 396.071 5.302 50 40 GKGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794198 IEGYBQTWIOYCIL-LTGZKZEYSA-N 398.462 5.210 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NCc1ccccc1 1082482 OSCMJZYPRVIQGV-RVDMUPIBSA-N 397.261 5.477 50 40 GKGB Cl[C@H](CN(Cc1ccccc1)Cc1ccccc1)[C@H](Cl)c1ccccc1 1843041 JLEICQIVHNIUFR-DHIUTWEWSA-N 384.350 6.276 50 40 GKGB Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 2283962 XXCJZHDNQXEQHP-LFIBNONCSA-N 376.441 5.312 50 40 GKGB O=C(c1ccccc1)[C@@H](Cl)C(c1ccccc1)[C@@H](Cl)C(=O)c1ccccc1 2311415 WPPWJZVIVJPWCN-SEJPIABJSA-N 397.301 5.751 50 40 GKGB Cc1ccc(OCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1C 4458569 VMFIQYOTZQNNDX-YSMPRRRNSA-N 382.463 5.139 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1 15134498 ZVSPQSLUGOLEMO-MOXGXCLJSA-N 390.918 5.206 50 40 GKGB N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 16478831 UXCDHRHVOFVGNH-MYKKPKGFSA-N 387.914 5.609 50 40 GKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 408582046 LKCCAJGGBHQISQ-XDHOZWIPSA-N 393.845 6.131 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccccc1 408785456 ZCTRSMRXLWUJSR-KGENOOAVSA-N 399.494 5.427 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408872586 GTUHJWVQVUUWIV-YBTNFBMKSA-N 390.405 5.242 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)n1 408980796 XRZNZCMQNOTIQN-HYARGMPZSA-N 394.478 5.308 50 40 GKGB CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)cc1 408996833 NGESFFOHDZHFQQ-ITYLOYPMSA-N 387.527 5.130 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3Cl)c2C)cc1 409054363 VEJIJCURVNOLJS-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CC(C)(C)c1ccc(C(=O)N/N=C(/C=C/c2ccccc2)c2ccccc2)cc1 1803517 UNVLJVIEEOXBAU-GFJPUZEWSA-N 382.507 5.832 50 40 GKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl 2166393 WOCNLONJMPWQRO-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1 4354949 ZVSPQSLUGOLEMO-BPAFIMBUSA-N 390.918 5.206 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 4724466 PFASWDPJKCUPBK-XUYLAZSVSA-N 389.326 5.545 50 40 GKGB Cc1ccc(C(=O)Nc2cccc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2)cc1 4865054 MATCVTOZAIWUPX-CPNJWEJPSA-N 378.435 5.188 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)OC1CCCCC1 5016924 SPJQMVNGGSDWQE-NTCAYCPXSA-N 382.441 5.106 50 40 GKGB CCCCCCCCCCCCCCCCCC[Si](C)(OCC)OCC 170154993 DJVQMRRXRRBRIH-UHFFFAOYSA-N 386.737 8.393 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c1C 409004590 APRJWDXQVCVTOB-OEAKJJBVSA-N 397.522 5.874 50 40 GKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccc(F)c1 409390035 DFCZLWNLOPLQQJ-UNOMPAQXSA-N 386.857 6.546 50 40 GKGB C=CCOc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC 409390540 FROIXOQXVRBEEI-NVNXTCNLSA-N 388.236 5.226 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)OC1CCCCC1 2669754 QBIBGSRSRUAHHM-JLHYYAGUSA-N 390.266 6.036 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1ccccc1 33774542 QCEVKQJDSOKWJX-JCMHNJIXSA-N 399.465 6.206 50 40 GKGB O=c1c(-c2ccccc2)c(-c2ccccc2)oc2cc(OCCCCl)ccc12 2559176 UTVUPWKXKQEEMB-UHFFFAOYSA-N 390.866 6.135 50 40 GKGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 13843828 QDLAPBVDLBYESR-KOEQRZSOSA-N 392.886 5.002 50 40 GKGB CCc1nc(/C(C#N)=C\c2ccc(-n3ccc(C(F)(F)F)n3)cc2)sc1C 98055036 UDXFARKYRJDNFV-UVTDQMKNSA-N 388.418 5.283 50 40 GKGB CCCSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1 102609124 UKWCSJPISRTTKC-IBGZPJMESA-N 382.529 5.744 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2[C@@H](C)CC1(C)C 223557599 VRLJLSVGDJREKN-YNGKYYQNSA-N 393.575 5.543 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2)cc1 408553137 XWALTJRDWWVTQR-JLPGSUDCSA-N 377.512 7.364 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)Sc1nc2ccccc2[nH]1 408599285 RVYDCTYRWSEXLM-XSFVSMFZSA-N 383.476 5.799 50 40 GKGB CC1(C)C=C([C@@H](Br)c2ccc(Cl)cc2)C(=O)c2ccccc21 5459931 BDYNSETUNJKRQN-KRWDZBQOSA-N 375.693 5.877 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=C\C#N 39106099 JYIVYQUKEVPWQK-MDBRMFRASA-N 395.587 6.311 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)c1C 408884919 VZIWAVMRDAHVHJ-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1cccc(Cl)c1 408984848 NBQZIBHRRCCARG-PDGQHHTCSA-N 381.907 5.103 50 40 GKGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)c1ccc(Br)cc1 4675533 QKEVJZPOPOGDSZ-FOWTUZBSSA-N 393.240 5.002 50 40 GKGB CCCCCCOc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1 408539957 KXAKVTDWFRQMQF-XHPQRKPJSA-N 388.511 5.492 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c1 408759500 GDWFSJJCYCOABP-RCCKNPSSSA-N 398.462 5.210 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C 408847686 NZLSJWIPMNDEKH-QFEZKATASA-N 385.467 5.221 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 409016592 DUTAOESGYHQHJG-WMJRALALSA-N 399.705 5.588 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1C1CCCCC1 985565 IMPMNJGREXTAOG-HNNXBMFYSA-N 389.286 5.134 50 40 GKGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 6341809 FOYAVMHONJCTDR-XYOKQWHBSA-N 395.178 5.014 50 40 GKGB N#C/C(=C\c1ccc(Oc2ccccc2)cc1Cl)c1nc(O)c2ccccc2n1 41157631 JZMJGSYDUODMPI-FOWTUZBSSA-N 399.837 5.845 50 40 GKGB CC(C)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 59473734 HZKSUWVIYCQUFK-HJGVYBFFSA-N 390.936 5.006 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc12 408803316 NOGZHPCRFBXHRZ-JRHQXSJRSA-N 390.527 5.621 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)cc1Cl 408815674 XTXUNGOHTDEFKT-OVCLIPMQSA-N 389.282 5.635 50 40 GKGB C=CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21 408857141 LBMJMOOLPHJXGO-KAMYIIQDSA-N 396.277 5.680 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)cc2)cc1 409244273 AMEVQSKDBCYXLH-UYRXBGFRSA-N 395.449 7.229 50 40 GKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)c2cccc(F)c2)cc1 409389537 BXDWHICSHRDWDX-KQWNVCNZSA-N 393.461 6.931 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cccc(Br)c2)cc1 5632576 VQHKECBRQISIAS-TXSSHTDISA-N 399.332 5.000 50 40 GKGB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N/NC(=O)C[N+](C)(C)C 17109916 YYSKFWJSNVCJED-YZBDGJJRSA-O 399.386 5.155 50 40 GKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)c(C)c1 33784728 NUTKMARSNGVDSS-UUYOSTAYSA-N 385.467 5.992 50 40 GKGB CC(C)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 59383067 OODFQKXVCKENSU-LPYMAVHISA-N 390.936 5.007 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)c1C 207863235 PHDRXRAFBJSXAS-HMAPJEAMSA-N 382.463 5.428 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc21 208436319 FAYXNBBWFRFBKI-WPWMEQJKSA-N 397.522 5.164 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)o2)cc1 408850364 MECUBRYKLWTDLP-SSZFMOIBSA-N 390.464 5.294 50 40 GKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccccc1Cl 409139612 BMDXKHHNECALHJ-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1C 409202528 QXXSGXORPXATND-MLPAPPSSSA-N 390.226 5.064 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1 409238278 WQKIWXYZEQDQAB-VKINRBECSA-N 397.522 5.441 50 40 GKGB CC[C@H](C)Oc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cccc1OC 4525074 JSGKISAIIPSRKV-LUYJPIOASA-N 384.863 5.072 50 40 GKGB CC/C(=N\NC(=O)[C@H](CC)Sc1nc2ccccc2s1)c1ccccc1 6784292 GSRKZWPPKBOZEB-HINJULBWSA-N 383.542 5.098 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c(C)c1 33546616 MNYKPIKCHXVBDB-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)cc1 59137896 NWOPYEAQDCKHHA-QINSGFPZSA-N 378.428 5.424 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C 223577595 INMLXTNSYDFSBG-BRLDDBHUSA-N 378.947 6.825 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 408543475 PIFVQIDOLCIVEE-CJMVGXJBSA-N 375.472 5.430 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1Cl 408588837 JYICBIWXGJXNIE-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c2C)cc1 408761941 IOEFYHDKIKDDFG-HMAPJEAMSA-N 394.522 6.214 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(C#N)cc1 409370929 FBRDTIMARFWGJJ-BOPFTXTBSA-N 375.225 5.645 50 40 GKGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3C)c3ccccc32)cc1 9201251 SFKLEFFGJBLBDM-CVKSISIWSA-N 381.479 5.070 50 40 GKGB CCCCSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1 13284538 MIEZGMDIBBHWLF-NRFANRHFSA-N 380.557 6.613 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1C(F)(F)F 34880719 KIEVMJWWBPSGDU-MSXFZWOLSA-N 398.812 5.302 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc(Cl)c1)[C@@H](C)CC(C)(C)N2C 208210818 YFIFCWPFAGAGPI-MMTYYTLLSA-N 383.923 5.134 50 40 GKGB CCCCCCCC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1 2186604 NGDJRYFWVNHUCE-LFVJCYFKSA-N 395.528 5.790 50 40 GKGB Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(F)cc2)c1CCCl 27585364 VMHIZIUPAPXTKO-UHFFFAOYSA-N 394.881 5.677 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)c1 59432641 ODURCVNREUUBCP-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CC1(C)CC2=NC(S[C@H]3C=CCCC3)=C(C#N)[C@H](c3ccccc3)C2=C(O)C1 103521789 XITBMMXTHOGUEK-UWJYYQICSA-N 390.552 6.434 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cccc(F)c3)cc21 223502512 UQLWOQAYVDOSQJ-VULFUBBASA-N 393.506 5.308 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1 408741707 KRHRETDUQRZHEX-BOPFTXTBSA-N 393.849 5.432 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 408794153 HZWHYAJMFYJVAK-GZTJUZNOSA-N 396.874 5.158 50 40 GKGB C=CCn1c(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc21 408809112 IBTKKEDLIRHOOW-FOWTUZBSSA-N 375.859 5.335 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2F)c1 408816329 TYYPBDIBGWVHBM-ZHZULCJRSA-N 386.426 5.259 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C 409008327 VXUNVDWMEVAZQU-KGENOOAVSA-N 399.494 5.265 50 40 GKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 409068571 UHWNHXRLLAYBBL-QGOAFFKASA-N 395.867 5.172 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)cc1 949400 XPLIIMNJJRYABU-UKTHLTGXSA-N 385.206 6.226 50 40 GKGB Cc1nc(/C(C#N)=C/c2ccc(N(C)C)cc2)sc1/N=N/c1ccc(F)cc1 4235634 RREQAKCZFSTANM-KVXVQJOQSA-N 391.475 6.136 50 40 GKGB CC/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1ccc(Cl)s1 4651836 HVCVUIYRBDBFOP-CJLVFECKSA-N 392.952 5.898 50 40 GKGB CCCCCCCCCCC[C@@H]1C(C#N)=C(N)O[C@H]2c3ccccc3OC(=O)[C@@H]12 170622631 DPRNSWTVQWKXHM-WTNAPCKOSA-N 396.531 5.524 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)[nH]c2cc1C 408544627 WADAWPFYZRQBQN-FYJGNVAPSA-N 379.463 5.823 50 40 GKGB Cc1ccc(COc2cccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)c2)cc1 408578662 AGFFYTJLPKDJCK-YBFXNURJSA-N 394.301 6.945 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl 408579350 GATKVLLUFNBNOQ-VZUCSPMQSA-N 387.093 6.763 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)cc1 408579972 MCMLCOBOMPHDPT-WOJGMQOQSA-N 398.264 6.776 50 40 GKGB COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 408879151 FREOZPTYDJNTAO-IFRROFPPSA-N 392.069 5.073 50 40 GKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1 2735723 JJVCPMUKPSRTIH-CPNJWEJPSA-N 388.854 5.465 50 40 GKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 4807922 CSQZHYCSGIPVJA-QGOAFFKASA-N 389.480 5.272 50 40 GKGB CCN(CC)c1ccc(C(=O)N/N=C(C)/C=C/[C@@H]2C(C)=CCCC2(C)C)cc1 7026792 GJMGQLJVGFTRAE-XCJALGJZSA-N 381.564 5.577 50 40 GKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)c3ccccc3)c2C)cc1 33438385 KGQSZQFNBOLABD-JCMHNJIXSA-N 398.462 5.061 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)c1ccc2ccccc2c1 33617465 WPVBTNSEILIBGM-JLPGSUDCSA-N 379.434 6.622 50 40 GKGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)cc1Cl 252491912 LZJUSCNLIGBJBP-LFIBNONCSA-N 392.842 5.463 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(N(C)C)cc1 408548396 HQSUQGZICGSDQF-UQQQWYQISA-N 391.518 6.378 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)cc1Cl 408598613 FZSBGDPVBSNSQV-LFIBNONCSA-N 391.883 6.442 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1 408817850 WYKMHDVYQJNVFU-NBVRZTHBSA-N 386.451 5.181 50 40 GKGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc2ccccc12 409009470 AGHJNGNHLINTTJ-YZSQISJMSA-N 382.463 5.546 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1Cl 409055565 ZOAOWEXAFHLQOP-DHRITJCHSA-N 396.849 5.130 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)n1 409380130 IRCRTEGRKMWIQV-VXLYETTFSA-N 392.890 5.117 50 40 GKGB O=C(c1ccc(Cl)cc1)C(Cl)(Cl)[C@H](Cl)c1ccc(Cl)cc1 1685400 HVBWKHVEGFWBFN-CYBMUJFWSA-N 382.501 6.330 50 40 GKGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc2c(ccc3ccccc32)o1 2162360 KGMMSNNBRACMEQ-BRJLIKDPSA-N 382.341 5.369 50 40 GKGB CC/C(=N/NC(=O)[C@H]1CC1(c1cccc(C)c1)c1cccc(C)c1)c1ccccc1 4405245 BBTUIYIQCPPHOL-UPIHBEMDSA-N 396.534 5.540 50 40 GKGB CCOc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4807970 WRAMMVWCNBWSTH-NTCAYCPXSA-N 392.440 5.094 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl 5771446 FJMBXCRNWZRANX-SDNWHVSQSA-N 383.234 5.799 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3Cl)n2)cc1 6356351 KFKDGECIKRDVEU-SXGWCWSVSA-N 385.319 6.743 50 40 GKGB CC(C)Oc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 15009075 GCLNLFXNEDEKPX-NTEUORMPSA-N 382.261 5.177 50 40 GKGB O=C(N/N=C/c1ccccc1O)c1ccc(CSc2ccc(Cl)cc2)cc1 59473073 CXYHQCXGAVOYGA-YDZHTSKRSA-N 396.899 5.102 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2[C@H](C)CC1(C)C 208313521 JLVJXCUPHYTCMT-RXWSAZGZSA-N 387.527 5.653 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21 208437498 HXNPFMVYXLSGQG-BOPFTXTBSA-N 391.902 5.517 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(-c2ccccc2)n1-c1ccccc1 408778875 MTYVXLBZUAHDKO-QJOMJCCJSA-N 378.450 6.656 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCCC 409075467 VUHSHAHJOMSHMZ-XMHGGMMESA-N 387.483 5.543 50 40 GKGB COC(=O)c1cc(-c2ccc(/C=C(\C#N)c3ccc(Cl)cc3)o2)ccc1Cl 1105599 PSTDEDWTRCTVAE-XNTDXEJSSA-N 398.245 6.104 50 40 GKGB O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(Cl)Cl 2522851 KDDDLTRKFSGKHG-UHFFFAOYSA-N 377.265 5.663 50 40 GKGB O=C(CSc1ccc(Cl)cc1)NN=C(c1ccccc1)c1ccccc1 4013722 FFPXWLYNGHCXMI-UHFFFAOYSA-N 380.900 5.001 50 40 GKGB CC(C)CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 44932798 NFQUERUGPHHXDJ-ZROIWOOFSA-N 378.255 5.750 50 40 GKGB CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl 59117350 LOZVUSFRXHJXQY-GHXNOFRVSA-N 395.673 5.591 50 40 GKGB CCCCCCCCCCC/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100028252 KDSMXKFPDNXYOM-XSFVSMFZSA-N 392.456 5.140 50 40 GKGB C[C@H](Br)C1=CC(c2ccccc2)(c2ccccc2)c2ccccc21 104149335 APAJBJCCSRJLHO-KRWDZBQOSA-N 375.309 6.201 50 40 GKGB C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1c(Cl)ccc([N+](=O)[O-])c1Cl 110064932 ZSHRINZMUGTYNH-XYOKQWHBSA-N 389.242 5.325 50 40 GKGB C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)c2ccccc21 111458846 LTGLJYGWKQNPBS-JXAWBTAJSA-N 385.467 5.080 50 40 GKGB CC(C)(C)[Si](C)(C)Oc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 195861511 JZWULIBHDSWRFU-UHFFFAOYSA-N 384.504 5.255 50 40 GKGB in-vitro CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12 408879191 CZOSNTPIIUYELV-RELWKKBWSA-N 398.506 6.345 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 408988533 RDACKABHYGFQBL-PTNGSMBKSA-N 397.261 6.108 50 40 GKGB Cc1ccc(/N=C/c2ccc3c(c2)[C@@H](c2ccccc2)C(C#N)=C(N)O3)c(C)c1 2251980 JTYGCXMGXBPAMP-XZZBMYDMSA-N 379.463 5.272 50 40 GKGB CC(C)(C)c1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(C(C)(C)C)c1O 3206687 ABXILLHXUHUNFB-ZMOGYAJESA-N 386.923 5.405 50 40 GKGB CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4063732 SHDZPFDALOKDLM-LFIBNONCSA-N 389.480 5.639 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1)c1ccccc1 6410531 OIQGNYQMUDWZDH-LKZQPVPRSA-N 382.463 5.050 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1F 17080809 QYBOPKZMPPIQJW-XMHGGMMESA-N 395.437 5.374 50 40 GKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(C)cc1 20247387 ZAFSPRJUTCTORD-KOEQRZSOSA-N 386.520 5.338 50 40 GKGB CCc1cccc2c(C(=O)/C(C#N)=C/c3csc(-c4ccccn4)n3)c[nH]c12 40139862 NOCWPKLDKPXGQE-XNTDXEJSSA-N 384.464 5.039 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1C 208206711 OAYRCPIBKGRNGE-HRVJUDJTSA-N 387.527 5.571 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1ccc(Br)cc1 408759079 XLWDMLCUQSSYEM-QINSGFPZSA-N 382.282 6.257 50 40 GKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 408761454 FOKCHTXYYHRABZ-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C#N)cc2)o1 409016737 HUSCFEXXHBUZDE-YVLHZVERSA-N 387.826 5.326 50 40 GKGB Cc1ccc(-c2cc(C(=O)NN=C3CCCCCC3)c3ccccc3n2)s1 5754447 FXOSTHHXZQFPLJ-UHFFFAOYSA-N 377.513 5.712 50 40 GKGB Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(F)cc2)cc1 8812316 DPJDFGUCUYQDNV-DHRITJCHSA-N 396.849 5.130 50 40 GKGB COc1ccc(Cl)cc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1 16226523 NGIXOCBCPMWXSR-FMCGGJTJSA-N 378.815 5.012 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1O 23079123 VICMEHREXSYNQU-IZZDOVSWSA-N 376.359 5.093 50 40 GKGB Cc1ccc([PH](Cc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 104094124 YLIWCCUBWZQIMP-UHFFFAOYSA-N 396.514 5.838 50 40 GKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)cc1 107570731 PEBGGXYQRYQERN-PGMHBOJBSA-N 387.502 6.144 50 40 GKGB Cc1c(CO[Si](C)(C)C(C)(C)C)c2ccccc2n1C(=O)OC(C)(C)C 197883279 XLMAIZVEXYYSLH-UHFFFAOYSA-N 375.585 6.255 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)c1ccc(Cl)cc1 408581812 ZMFMHYDQDFGDTQ-XDHOZWIPSA-N 380.274 6.637 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccccc1Cl 408726489 SEXMPYRYLOQELH-STZFKDTASA-N 389.882 6.382 50 40 GKGB N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 408865952 FKCXGBGYHJMXGP-XMHGGMMESA-N 390.845 5.616 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408868009 NCUHPQADJLXJMG-PXLXIMEGSA-N 382.463 5.146 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c1C 408964231 CHGITTOTLUEWEB-OYKKKHCWSA-N 394.906 5.466 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2C[C@@H]1[C@H](C)C2(C)C 2104503 GAFQCQFVIRUOEG-IPRDPGLQSA-N 390.564 5.465 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C)c2)cc1 59296923 IGHWFTYWRXWKDD-XQNSMLJCSA-N 396.490 5.682 50 40 GKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1 408540433 RSPFKAIHPUPGFF-PLRJNAJWSA-N 380.532 5.752 50 40 GKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OCC 408541539 ZVCDWFLTWUWBIW-PLRJNAJWSA-N 396.531 5.589 50 40 GKGB Cc1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc([N+](=O)[O-])c1C 408976882 GXLZGKPBJQEZKX-MHWRWJLKSA-N 384.395 5.412 50 40 GKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Cl)cc1 409363121 TVVUMIRPHIOVIC-GHRIWEEISA-N 387.895 6.318 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1 409365725 RQHKICIQLYYKGI-UVTDQMKNSA-N 395.212 5.681 50 40 GKGB O=C(NN/C(=N\c1ccccc1)SCc1ccccc1)c1ccc(Cl)cc1 6240072 ZQOMVFLWNUOWKV-UHFFFAOYSA-N 395.915 5.196 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(/C#N)c2cccc3ccccc23)cc1OCC 6354910 XORFGFWSVNPWAB-UYRXBGFRSA-N 389.882 6.521 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)c(C)c1 16285053 QJVJADYQHJJVMR-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB C=CCOc1ccc(Cl)cc1/C=C(C#N)/C(O)=N/c1nc2ccccc2s1 41120673 NPZHFFWDLQYOLV-GXDHUFHOSA-N 395.871 5.710 50 40 GKGB Clc1cc(-c2nc3cc(-c4ccccc4)ccc3o2)ccc1CBr 41127381 YMFLVLVSXKOSBJ-UHFFFAOYSA-N 398.687 6.710 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\c3ccc(Br)cc3)n2)c1 44827329 GLMZDSMSSZCVLM-DHDCSXOGSA-N 397.297 5.645 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)c1 50011289 TVMOWMSEODOVJT-KGENOOAVSA-N 375.516 5.067 50 40 GKGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(C)c(Cl)c2)c(C)c1 409009127 WPVPMIOFZYPZPD-QRVIBDJDSA-N 380.879 5.212 50 40 GKGB O=C(CC1CCCCC1)N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1 199408533 XDTGWXHZBZOWNU-NJNXFGOHSA-N 389.326 5.832 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1C 408860079 YBCHPEXSNLIGFG-VXLYETTFSA-N 376.500 5.802 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)cc1Br 409343079 HMXYTUCSHDABNM-YBEGLDIGSA-N 398.687 6.735 50 40 GKGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C 4705564 DTSRONKEPPZIFD-LDADJPATSA-N 396.450 5.041 50 40 GKGB 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)CCl)CC[C@@H]32)C1 4921431 BJNBUJBEHXHJHF-QTLDOONUSA-N 394.983 5.385 50 40 GKGB O=C(CSc1cccc2ccccc12)N/N=C\c1ccc(-c2ccccc2)o1 6927873 KWJIPGRYMQGKLL-IWIPYMOSSA-N 386.476 5.342 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC(C)C 7210477 FAVVDDICQQBERD-RQZCQDPDSA-N 398.890 5.238 50 40 GKGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1Cl 35326332 KSMXLLPDNCAMCJ-GOSISDBHSA-N 388.298 5.058 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1cc(Cl)ccc1Cl 107853605 BIYBNTJXRVWILV-YBEGLDIGSA-N 385.269 6.604 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)c(Cl)c1 408587091 PYTVOOKHSDIFFF-NTEUORMPSA-N 385.206 6.226 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1 408818369 VIJMNBXHFUOWHP-AQRZYSDFSA-N 387.458 5.018 50 40 GKGB O=C(NN=C1CCCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 408863014 KAYLRKNILQWZRV-UHFFFAOYSA-N 386.948 6.072 50 40 GKGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 408875152 DLVMSKAUPREHGZ-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408927160 ZULMMDIBQWFPGI-RMKNXTFCSA-N 396.617 5.101 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C 408968894 ZZVLIQDGUAZGOS-WPWMEQJKSA-N 395.506 5.574 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1Cl 409013036 SJCAHFQHWUTZOP-FBKCMUNRSA-N 384.863 5.072 50 40 GKGB CCc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@@H]32)cc1 4631654 GFIZBGUBQNMXKW-DXIQSLLYSA-N 384.527 5.115 50 40 GKGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)C1 4656956 WKGLYWHHMYANEP-SAZKUCFMSA-N 395.330 5.557 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(OCC)c3)n2)cc1 17314928 LAYXISXHWBHGGS-BOPFTXTBSA-N 392.480 5.377 50 40 GKGB CC(C)(C)[C@@H]1CC=C2[C@@H](C1)[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 20026772 NFXZDTCVCVBRRP-SNUQEOBHSA-N 396.947 5.267 50 40 GKGB ClCc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 41127389 YSUBNPNFGGSUCQ-UHFFFAOYSA-N 398.687 6.663 50 40 GKGB N#CC(/N=N/c1c(Cl)cc(Cl)cc1Cl)=C(\O)c1ccccc1Cl 103743967 NMPGKYTWGGBXMO-DXTAALDYSA-N 387.053 6.834 50 40 GKGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 408878145 WYYORLHQIRHGMU-LZYBPNLTSA-N 399.288 5.010 50 40 GKGB ClC1=C(Cl)[C@]2(Cl)[C@@H](CBr)C[C@@]1(Cl)C2(Cl)Cl 2039291 DAASOABUJRMZAD-QXGXAUQUSA-N 393.750 5.233 50 40 GKGB in-man N#C/C(=C/c1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4006040 ZPNAMLORHFNVLT-QPEQYQDCSA-N 391.710 6.834 50 40 GKGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 4182057 JKKVZWDHGZFJDO-CAPFRKAQSA-N 386.407 5.117 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC(C)=O)cc3)n2)cc1 5023740 YBGKGFXOTOLXOY-PDGQHHTCSA-N 390.464 5.198 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2C(C)=CC1(C)C 208514235 VQWMXAMKCKJKHW-MOSHPQCFSA-N 385.511 5.563 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 260565530 IWWYGFVDNRMKHK-GMJSKMFWSA-N 383.923 5.134 50 40 GKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCCCCCCCCCC1 408728123 VXHROHBLWDRHRL-KRWDZBQOSA-N 395.012 6.598 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCC 408793492 PEZMDMTVQBLHGF-LICLKQGHSA-N 398.890 5.300 50 40 GKGB N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccccc1 408799063 YAODRGKYYAVSFF-XMHGGMMESA-N 395.437 5.374 50 40 GKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccccc1 408899125 ZGJZFEDVWFSTFC-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc2ccccc2c1 1711040 ZVAPBNNPCVRYTP-PCLIKHOPSA-N 385.338 6.183 50 40 GKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 2162433 GCNPEHIOPWYMJK-JZCUADNKSA-N 386.451 5.527 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)cc1 4864619 MSVPLMZJWDTRME-XMHGGMMESA-N 382.467 5.433 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2ncccc12 33342982 RTNNRXDXOBKMKE-SQFISAMPSA-N 399.837 5.694 50 40 GKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c3c(cccc13)CC2 59473715 LSLHGWVLVITFMM-FIKYGGOLSA-N 394.927 5.223 50 40 GKGB CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 66322044 OREPMMRTKSCBPA-LURJTMIESA-N 380.085 5.203 50 40 GKGB Cl[C@H]1[C@@H](Cl)[C@@]2(Cl)C=C(c3ccccc3)[C@@]1(Cl)C2(Cl)Cl 104120699 WLVUCXXIQDWEAN-RHYQMDGZSA-N 376.925 5.441 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(C(=O)O)cc1 107732072 GBLHRBMXYSVOBY-AQTBWJFISA-N 391.879 6.254 50 40 GKGB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O[Si](C)(C)C 195794021 DVEUJDWURSKKQN-UDDQRKKUSA-N 376.657 6.208 50 40 GKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 206179470 ZPBVQDOQXSGBFO-HKWRFOASSA-N 392.499 5.508 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3cccc(Cl)c3)cc2[C@H](C)CC1(C)C 208319811 JTGPSYQXJMURAJ-LELXDKESSA-N 378.947 6.825 50 40 GKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc3ccccc23)o1 408766027 NWBGUXKNMRQYAP-ZVHZXABRSA-N 399.406 5.080 50 40 GKGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl 408983880 NXBMCWSGGIIKBY-SDQBBNPISA-N 395.673 5.510 50 40 GKGB Cc1c2ccccc2c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc12 409000723 ZVTVSIKPFGLHDP-VKAVYKQESA-N 396.877 6.501 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)c(Cl)c1 409055269 YFVWIIXSMJDUCJ-DHRITJCHSA-N 396.849 5.130 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 409362251 UMVZKDCPOFEXLN-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB CC1(C)CC(=O)C2=C(C1)O[C@@H](c1c3ccccc3cc3ccccc13)C(C#N)=C2N 4438675 FAWMGGKUDHGJDG-RUZDIDTESA-N 394.474 5.444 50 40 GKGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 5024142 WTHGNZFUARPIKT-SGCURDBTSA-N 396.918 5.195 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ncccc12 33406236 RINIKNCKOKAPGE-SSZFMOIBSA-N 399.837 5.694 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 33792806 CXGVWQDCQCFYSI-MTJSOVHGSA-N 381.391 5.110 50 40 GKGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 59281580 ZHQHSQRIUCFSFL-MDWZMJQESA-N 394.780 5.303 50 40 GKGB Cc1ccccc1[P+](Cc1ccccc1)(c1ccccc1C)c1ccccc1C 60150965 BYYYDIWZIDGTEF-UHFFFAOYSA-N 395.506 6.106 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)cc1 408734729 IXGWEVHCKPIMTM-XDHOZWIPSA-N 389.886 5.602 50 40 GKGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cccc2ccccc12 408754891 SMPUUFOSDJTMPL-LFIBNONCSA-N 377.241 5.148 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408797407 RSWZEZKFWFQCFZ-MHWRWJLKSA-N 399.288 5.010 50 40 GKGB CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)C[C@@H]3[C@@H](C(=O)C[C@]3(C)O)C(C=O)=CC[C@H]12 1079927072 PLWMYIADTRHIMY-POGLWFSKSA-N 386.576 5.277 50 40 GKGB CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1sc2ccccc2c1Cl 4860323 BAJCJZDXXRANLM-YQNOKABASA-N 398.871 5.103 50 40 GKGB Cn1c(/C(C#N)=C/c2cccc(OCc3ccc(F)cc3)c2)nc2ccccc21 13149405 MZXUEHRIAZEWOI-CPNJWEJPSA-N 383.426 5.356 50 40 GKGB CC(C)c1ccc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 100082693 WIGVYEZOWANAEI-ATVHPVEESA-N 390.468 5.818 50 40 GKGB Cc1cc(NC(=O)CCl)cc2nc(-c3ccc(-c4ccccc4)cc3)oc12 226327880 WQLXKQBKSZXMFN-UHFFFAOYSA-N 376.843 5.648 50 40 GKGB CN(C)c1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1Br 408599135 PCEWAFQKIOCGML-UKTHLTGXSA-N 399.317 5.048 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc21 223507243 BZXPEWRMXMIEEW-BKUYFWCQSA-N 399.538 5.951 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)c1C 408816481 USQWMWAHLPCNPQ-XSFVSMFZSA-N 384.479 5.790 50 40 GKGB Cc1c(/C=C(\C#N)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 409359789 BXQNFXGQHKQCPR-RCCKNPSSSA-N 382.894 6.716 50 40 GKGB CC[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C(C)\C=C\c1ccccc1 4646889 MTRYHVBRSOHNQA-HCJBYGDNSA-N 395.553 5.373 50 40 GKGB Cc1ccccc1OC[C@H](Cl)CSC[C@H](Cl)COc1ccccc1C 5549272 NMVAPAHWJXYWRQ-HDICACEKSA-N 399.383 5.709 50 40 GKGB Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 5721617 PVNOWTRRBHDCRO-UVTDQMKNSA-N 396.859 5.657 50 40 GKGB CC(C)N(C(=O)C12C[C@H]3C[C@H](C1)CC(P(=O)(Cl)Cl)(C3)C2)C(C)C 102130163 BVDVNYDKDKVENS-QBBMROGASA-N 380.296 5.642 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1 408582035 LHIZWVRJNNROAN-XSFVSMFZSA-N 375.855 5.992 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408727107 XFQNWWWNIGXIND-DJMMXMAHSA-N 391.298 5.530 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)cc1Cl 408981328 ATXPPEASXBFDHW-POHAHGRESA-N 381.682 5.018 50 40 GKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccccc1 409046689 LFLSPQAKAGAQGU-VCHYOVAHSA-N 398.264 6.776 50 40 GKGB CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 409049449 WXMSZVCJZPWMFI-VGOFMYFVSA-N 386.282 5.969 50 40 GKGB Cc1cc(OCC(=O)NN=C2CCCCCCCCCCC2)ccc1Cl 4860656 YVKMDEFRFLLYKQ-UHFFFAOYSA-N 378.944 5.804 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 13512305 CWMOTEGAXGHXPY-XFQXTVEOSA-N 390.918 5.206 50 40 GKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)o1 13940583 PCCQAQITABMKEW-RVDMUPIBSA-N 375.340 5.136 50 40 GKGB CC1(C)OC12[C@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@H]2[C@@H](Cl)C=C[C@@H](Cl)[C@@H]21 104292127 FXYSLPGYEHXPHE-CVGVAHHZSA-N 393.207 5.002 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)NCc3ccccc3)cc2C(C)=CC1(C)C 208523972 NEXOUZYYVPEHAC-XKZIYDEJSA-N 399.538 5.240 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(C#N)cc1 409372867 PBHBGUFJHDZXDK-XYGWBWBKSA-N 386.454 6.355 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)cc1 4817177 WSBFSTGPZNTVPA-NBVRZTHBSA-N 389.524 6.309 50 40 GKGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)c(Cl)c1 6314954 BCUNWIVETPZJON-MHWRWJLKSA-N 390.849 5.827 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2csc(-c3ccc(Cl)cc3)n2)c1 7158539 BGJFIJWRJXONGJ-XNTDXEJSSA-N 379.872 5.318 50 40 GKGB CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 13659032 MPEGWDWDOLWWSZ-YBEGLDIGSA-N 380.856 5.453 50 40 GKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1ccccn1 49573785 VYARDRLMXPEGPQ-AQTBWJFISA-N 382.854 5.652 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccccc1Cl 59434391 JMIXNJWKAKMVGF-UHFFFAOYSA-N 377.916 5.055 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccccc4F)c3)[nH]c2cc1C 408543494 PMAJRPJTKITOIX-UDWIEESQSA-N 397.453 5.962 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)c1 408856196 POYBGIASFGQURO-SSZFMOIBSA-N 391.858 5.075 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3cccc(Br)c3)n2)cc1C 6478071 MDHHSIKUOYOFTP-MFOYZWKCSA-N 395.325 6.254 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C 96471964 WFVXZAKIZQFGMP-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB O=[P@@](Nc1ccc(Cl)cc1)(c1ccccc1)c1nc2c(s1)CCCC2 101023659 MJRZGFJYNHDJDK-DEOSSOPVSA-N 388.860 5.016 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)c1 408587643 SUQJNGWQHUULPB-ODLFYWEKSA-N 381.306 6.774 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc12 408809380 LBWCLKFAZHMKNO-ACXJOVJBSA-N 398.506 5.803 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1C 4599551 CIAKLCVHWBTIEU-HZHRSRAPSA-N 397.522 5.819 50 40 GKGB Cc1cc(C(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1F 12558836 WISAGOLSMFMVPT-XMHGGMMESA-N 387.458 5.089 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OC 33387943 PVHCHKKGEZUTAZ-QPEQYQDCSA-N 378.653 5.184 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc12 408810577 PLRHVUFZIFDPQS-OBGWFSINSA-N 388.442 5.703 50 40 GKGB C[C@]12CC=CC[C@@H]1CC[C@H]1[C@@H]3C[C@@H](Br)C4(OCCO4)[C@@]3(C)CC[C@H]12 4044569 QAHFVTOKOXJWRU-VMJIZDNZSA-N 395.381 5.312 50 40 GKGB biogenic Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1cccc(Cl)c1Cl 6329688 LNAVXEUQSKXRRG-UFFVCSGVSA-N 392.311 5.226 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Cl 33861096 NISROKYNUBDLSE-ZSOIEALJSA-N 382.250 5.254 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 107563268 RECTVCWCJPUZLH-AFUMVMLFSA-N 388.398 5.011 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2[C@@H](C)CC1(C)C 223535568 QTDIDVVTOUPSLO-JIHKLPAASA-N 391.490 5.483 50 40 GKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2cccc(Cl)c2)o1 818730 QWFKAOZZWAMGDL-IBGZPJMESA-N 394.858 5.051 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 1191846 RZZYFOWRACRRJD-STZFKDTASA-N 399.494 5.265 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccn1 1302136 NDHPTAFTJCJJSQ-LSFURLLWSA-N 394.645 5.066 50 40 GKGB N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc(F)cc1 5013229 QWWBXQJINCDUIK-SFQUDFHCSA-N 383.382 5.180 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1 5336772 ZNCCMVHYSQIEFO-QNGOZBTKSA-N 382.894 6.965 50 40 GKGB OCCOc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccccc2)cc1 13914183 LUMKNAVTFCDUIE-WCWDXBQESA-N 378.899 5.646 50 40 GKGB in-vitro CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 15134496 ZVSPQSLUGOLEMO-QKYXUNIQSA-N 390.918 5.206 50 40 GKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1 408776762 RBXKYVCEYAKNIB-PTNGSMBKSA-N 388.298 5.385 50 40 GKGB Cc1c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc2n1Cc1ccc(Cl)cc1 408789988 PJXXHKZWQRFNEQ-PDGQHHTCSA-N 391.902 5.083 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(F)c2)c1 408935683 INLUPXHOLNPNDP-NDENLUEZSA-N 386.426 5.259 50 40 GKGB CC(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 4147471 NWPRBJVFIDSFDI-SXGWCWSVSA-N 399.346 7.304 50 40 GKGB Cn1c(/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21 4159142 KVSJNQFGHOBXFT-ACCUITESSA-N 394.261 6.204 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 5746927 NKNGWBPSLZBLCX-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1 5768734 GPLOBFOQRCSQCX-XFFZJAGNSA-N 396.071 5.302 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c1 39884499 QCBFKAVEGVWHKR-SFQUDFHCSA-N 376.843 5.763 50 40 GKGB N#C/C(=C/Nc1cccc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100839786 ZFDCJFHSQZZTIH-RAXLEYEMSA-N 382.832 5.348 50 40 GKGB O=C(c1ccc(Br)c(C(F)(F)F)c1)[C@H](Cl)c1ccccc1 124498499 SPEGUMJIVIRGQB-CYBMUJFWSA-N 377.587 5.631 50 40 GKGB N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)Nc1cccc(Cl)c1Cl 408759284 BHLDOCPHRDGHCE-LFIBNONCSA-N 393.273 5.791 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408792262 AGNBTZCCLHEWSF-LICLKQGHSA-N 396.874 5.076 50 40 GKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(Cl)cc1 409230562 ZLIGHBOTUHXZNX-FYJGNVAPSA-N 386.857 6.546 50 40 GKGB CCCCCCc1ccc(C(=O)[C@@H](Br)CBr)cc1 575357725 ZDMFEJPAEQOLFR-AWEZNQCLSA-N 376.132 5.151 50 40 GKGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1ccc(Br)cc1 6043976 JRHDVDHUFGOOCZ-BOPFTXTBSA-N 385.280 5.561 50 40 GKGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 6410971 YPQOINICSHBSMM-BJMVGYQFSA-N 386.065 5.846 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 59117358 KSPYGFYVLNWZFA-OQLLNIDSSA-N 389.282 5.574 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccccc4C#N)cc3)nc2c1 107586958 MWULAIFBGDRYSD-BKUYFWCQSA-N 390.446 5.386 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc21 223486320 LBHQFFGOGLQHCD-BKUYFWCQSA-N 399.538 5.951 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)cc1 252478317 AJFZVJGQHXBBRQ-RVDMUPIBSA-N 378.378 5.333 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 408776674 PLPWGORFXOHNOX-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408860542 XXIHLMCTIBCGJW-OVVQPSECSA-N 394.474 5.112 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1C 2283860 SASONVDJYSKCTF-SFQUDFHCSA-N 399.475 5.510 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc2ccccc2c1O 4678890 GPSILKLBSMAARW-JVWAILMASA-N 390.442 5.616 50 40 GKGB O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)Nc1ccccc1 33154968 WNRCXZJCJKDFEI-CFRMEGHHSA-N 397.837 5.214 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 102247246 OABVOERAKHNDFR-NVMMFEFLSA-N 383.319 5.081 50 40 GKGB COc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)c1 223167898 LNRUOISHVVSVCR-BKUYFWCQSA-N 399.494 5.265 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 408746697 VOWBVYRMNKYILM-STZFKDTASA-N 399.494 5.265 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccccc2)c1 408800644 ODGSZQXBYQMGKX-KGENOOAVSA-N 398.462 5.128 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 408803467 PGLIMHUMGBICHQ-LFIBNONCSA-N 399.288 5.092 50 40 GKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)c2ccc(F)cc2)c1C 1051132 RSHJAHJBAGMORJ-WOJGMQOQSA-N 391.402 5.214 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 4817147 ASVHZXHYLRRHAL-LFIBNONCSA-N 376.441 5.312 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1ccco1 5610763 CORQWKADLIPJBC-MDWZMJQESA-N 387.222 5.070 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 108248913 NPXCYEIVDOIAGX-ATVHPVEESA-N 392.867 6.464 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3cccc(Cl)c3)cc21 208474148 YQDUZFNMNZWMJN-IUXPMGMMSA-N 383.322 6.689 50 40 GKGB O=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226339960 ZSTVWZAOHIKBSC-UHFFFAOYSA-N 394.479 5.714 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 409359256 ATRIIEAKZANDHD-MTJSOVHGSA-N 399.446 5.457 50 40 GKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)NCCc1ccccc1 4544481 AZGRANUVIWSWGF-OQKWZONESA-N 376.459 5.259 50 40 GKGB N#C/C(=C\c1ccc(Oc2nc(Cl)ncc2F)cc1)c1nc2ccccc2[nH]1 9310437 VFAODSRDGCARFJ-UKTHLTGXSA-N 391.793 5.002 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 16429198 MIVWQRUJQHNIEW-OWBHPGMISA-N 386.904 5.440 50 40 GKGB O=C(CCCC[C@@H]1CCSS1)NCCc1nc(-c2ccccc2)cs1 96116140 IBDUGACEGRAWLS-MRXNPFEDSA-N 392.615 5.183 50 40 GKGB biogenic Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)cc1 205593160 AKRWYHAAUYOTJR-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408534200 UCIFIZPPUDDETO-RVDMUPIBSA-N 389.282 5.718 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1OC 408579573 IAEWZJQCFYPVRR-DEDYPNTBSA-N 389.426 5.486 50 40 GKGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 954221 YPTWRDUCBJIQCI-OQLLNIDSSA-N 397.862 5.072 50 40 GKGB CN(/C=C\C(=C\C=C(C#N)C#N)c1ccccc1)CC(=O)c1ccc(Cl)cc1 35188496 DLCRWMQECRRLRS-JANXZNDKSA-N 387.870 5.025 50 40 GKGB C=CCN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101220673 CGSLPTXVIBBPQN-UHFFFAOYSA-N 394.478 5.588 50 40 GKGB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O[Si](C)(C)C 195794063 DVEUJDWURSKKQN-KBKDLPJQSA-N 376.657 6.208 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OCc1cccc(C)c1 4674613 NQZYTXHMZYUXHX-OEAKJJBVSA-N 397.474 5.681 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)cc1 5632599 VSVCXJPGUWFMPR-RLWITGEDSA-N 392.543 5.241 50 40 GKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc2ccccc12 6423362 MEUYMSSCZLSWOK-XMHGGMMESA-N 393.402 5.999 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(OC)c1OC 12784816 CRFZPJWAQJCNSS-XNTDXEJSSA-N 396.443 5.039 50 40 GKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3)c3ccccc32)c1 16349405 QYCJJUSDKFVAJW-QNGOZBTKSA-N 391.474 5.544 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cc2)c1 408810130 SYQUPOHJGURDAS-HSJQUHBMSA-N 396.490 5.358 50 40 GKGB CC(C)C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2[nH]1 606440365 XRDXMZAROCJAHL-CRAIPNDOSA-N 391.606 5.480 50 40 GKGB biogenic Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c1 2200496 BNYJROZDMSNFPI-GHRIWEEISA-N 385.467 6.387 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 252501724 UINPDWVRQSGJQG-GZTJUZNOSA-N 376.843 5.763 50 40 GKGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c2c1 408787994 HZZHHBSBIGNYEY-LDADJPATSA-N 386.451 5.020 50 40 GKGB Cc1cc(/C=C(\C#N)c2cccc(Cl)c2)cc(C)c1OCc1ccc(F)cc1 408859581 YIIOWKQZJMDFQJ-CIAFOILYSA-N 391.873 6.739 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(C)o1 1003370 QYEXYPIBLNTGEX-OVVQPSECSA-N 397.478 5.574 50 40 GKGB COc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)ccc1OCc1ccccc1 12561767 IBUSMFOGNNQZQK-YBFXNURJSA-N 388.492 5.672 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C 28515424 MGLKCWULYHWUDI-WQRHYEAKSA-N 397.438 5.251 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc2ccccc2c1 33575542 FWDUTHLSCXEGPM-XDHOZWIPSA-N 390.269 7.471 50 40 GKGB O=C(CSc1nc2ccccc2[nH]1)NN=C1CCCCCCCCCCC1 59417067 YYCJSWVOWMGKJE-UHFFFAOYSA-N 386.565 5.432 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 408580273 BQIMAPZWXXDYBE-DEDYPNTBSA-N 389.426 5.486 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)c(C)c1 408838618 YHSOMNZMCLYLIR-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1 408852311 JJEWUIDKTDPLFT-PTNGSMBKSA-N 394.883 5.938 50 40 GKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)c2cccc(F)c2)cc1 409389372 AWCHCIPDWZFXCY-MOSHPQCFSA-N 386.426 5.216 50 40 GKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OCc1ccccc1 409394268 XYOTUOKXPUNIJB-UCQKPKSFSA-N 399.465 6.206 50 40 GKGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 657006 WVJVVVZWKBAIKQ-WGOQTCKBSA-N 395.462 5.105 50 40 GKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl 3109534 YFTSRVCVNUNVEV-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB COc1cc(/N=N/c2cccc([N+](=O)[O-])c2)ccc1N(CCCl)CCCl 4773899 QDGPFGQYMRHPHZ-QZQOTICOSA-N 397.262 5.303 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1Cn1nc(C)c(Cl)c1C 6925356 WHWORDWUUVBQLV-FRKPEAEDSA-N 398.919 5.039 50 40 GKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(N(C)C)cc1 408568311 SOYJURAUPFGWCC-PDGQHHTCSA-N 399.473 5.240 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)c1 408806071 AONVHMDMELBPCY-LWVIFQEGSA-N 388.511 5.176 50 40 GKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 409070463 XZQZFIWVNSCDDP-NBVRZTHBSA-N 395.867 5.172 50 40 GKGB FC(F)(F)c1cc(CBr)c(C(F)(F)F)cc1Br 575341354 VFTOPCAGVKAKBV-UHFFFAOYSA-N 385.927 5.382 50 40 GKGB CCCCc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 4148669 ULLYWQGEAVFICK-XDJHFCHBSA-N 389.524 6.138 50 40 GKGB COc1cc(N2CCCCC2)c(OC)cc1/C=C(/C#N)c1ccc2ccccc2c1 6247745 XANGAMBHSLTECS-HAHDFKILSA-N 398.506 5.911 50 40 GKGB CCOc1ccc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 100247340 NUVGSOKFYMVFGT-DTQAZKPQSA-N 377.469 5.194 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=C/C#N 118919254 JYIVYQUKEVPWQK-RSZZQFJFSA-N 395.587 6.311 50 40 GKGB CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1 408538653 BDKULWPCCQZGLR-ULJHMMPZSA-N 386.923 5.843 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc(C#N)c1 408568960 XRCTYFNMHRPDIU-SXGWCWSVSA-N 375.771 5.444 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl 408579342 FZARGNZQKLYJDY-NTUHNPAUSA-N 397.099 6.219 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408726428 SSWYBYIAGBKCDE-NQIKBFIPSA-N 391.298 5.530 50 40 GKGB Cc1ccccc1/C=C(/C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4174859 UFRSYJPAKPHMCZ-HAHDFKILSA-N 378.500 6.850 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 13586128 NLAFNEZZMIBOOX-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB Clc1ccc(/N=C2/NCCN/C(=N/c3ccc(Cl)cc3)SS2)cc1 17110380 YTYXMOCNXFGSIW-UHFFFAOYSA-N 397.356 5.243 50 40 GKGB COc1cc(/C=C/C#N)cc(Br)c1OCc1cccc(Cl)c1 33664730 QRDOPVBUIRMBLL-HWKANZROSA-N 378.653 5.227 50 40 GKGB CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Cl 58822899 KABUZIIBKOKSHO-OQLLNIDSSA-N 376.239 5.042 50 40 GKGB N#C/C(=C1/C=C(Br)/C(=N/O)C=C1Cl)c1cccc2ccccc12 101078007 BJDKZONPNOGIEO-KXXWGTPCSA-N 385.648 5.362 50 40 GKGB COc1cc(N(CCCl)CCCl)ccc1/C=N\c1cccc(Cl)c1 104079017 VTLCORLACDJXDW-XKZIYDEJSA-N 385.722 5.383 50 40 GKGB CCCCCCCCCCCCCCCCCCS(=O)(=O)CCCl 104161236 ANHJBBGSPDSWMA-UHFFFAOYSA-N 381.066 6.902 50 40 GKGB COc1cc(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)c1OC 408549694 XDJSJXHVEKDQFY-ZDLGFXPLSA-N 394.268 5.684 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)c1C 408600846 GPRKIMLCWLCRHR-XNTDXEJSSA-N 378.378 5.387 50 40 GKGB N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 409082998 KGGPNBLLIUCUHO-SFQUDFHCSA-N 387.351 5.359 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Cl 2072745 QYNHVMVODFCSJU-AFUMVMLFSA-N 387.870 5.107 50 40 GKGB Cc1nc(/C(C#N)=C\c2ccccc2Cl)sc1/N=N/c1ccc(Cl)cc1 13408229 KTVJNNFXXASLNO-FHLZQYCFSA-N 399.306 7.238 50 40 GKGB COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCc1ccc(Cl)cc1 82070114 VHNVVHUQUSZOMW-BOPFTXTBSA-N 383.875 5.450 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc12 111904233 JGUDZNDOMDPKID-LFIBNONCSA-N 376.843 5.356 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)Cn3cnc4ccccc43)c2)cc1 408691908 XQRWHYKLIQIQCB-XKZIYDEJSA-N 379.463 5.531 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c1C 408745643 OALKWFCOPFNCCR-QNGOZBTKSA-N 399.494 5.211 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 408746663 VDFVYSWTZZNZLE-STZFKDTASA-N 399.494 5.265 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3CC)c2C)cc1 408966285 LDPCLMSXLIPPKB-KQWNVCNZSA-N 397.522 5.765 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 409071056 PWGJMNNTHLUNLT-CPNJWEJPSA-N 378.428 5.185 50 40 GKGB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)[C@H](C)Cl 4575755 COYQGLDSERQIPS-QMMMGPOBSA-N 385.963 5.424 50 40 GKGB CC1=C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)CCC1 43919936 DFDYUHJJSYOWFI-UHFFFAOYSA-N 399.538 6.507 50 40 GKGB in-vitro N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1 59116669 WMHOKVUWIGLRBX-XMHGGMMESA-N 388.854 5.465 50 40 GKGB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O[Si](C)(C)C 195794092 DVEUJDWURSKKQN-PDFLQEANSA-N 376.657 6.208 50 40 GKGB in-vitro CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c2ccccc12 408806267 MIPOMOKHGDSEIJ-GHRIWEEISA-N 390.870 5.746 50 40 GKGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 1108002 BWLMNTNABBYYDE-JVWAILMASA-N 390.446 5.147 50 40 GKGB Cc1ccc(NC(=O)c2ccc(C)c(N(CCCl)CCCl)c2)c(C)c1 1724358 HQWBXJVYVWFDGC-UHFFFAOYSA-N 379.331 5.148 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C(F)(F)F)n2)cc1 5670695 GNJIYFKBAQJVJE-GDNBJRDFSA-N 386.398 5.902 50 40 GKGB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N/NC(N)=O 6962350 SFOCYFZQHHWIRZ-QWIJBOROSA-N 387.612 6.336 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1 13512487 GWTXVLCYCBNNRY-JNAXZKDPSA-N 390.918 5.206 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCc1ccco1 33304248 RFJGWRHRYIRMSY-WQLSENKSSA-N 387.222 5.070 50 40 GKGB C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CC)C[C@H]2C[C@H]1[C@H](C)C2(C)C 100757980 GAFQCQFVIRUOEG-UAKAABGRSA-N 390.564 5.465 50 40 GKGB biogenic COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Cl 408882863 SKWPAEGRRPEYLG-OQLLNIDSSA-N 397.261 5.701 50 40 GKGB O=C(c1ccc(-c2ccccc2)cc1)[C@@H](Cl)[C@H](Cl)c1ccc(Cl)cc1 1685508 BLCZKULWNRFGQZ-UXHICEINSA-N 389.709 6.777 50 40 GKGB C[C@H](CCCN(CCCl)CCCl)Nc1ccnc2cc(Cl)ccc12 5751278 OXCSNJULRYCPDZ-CQSZACIVSA-N 388.770 5.248 50 40 GKGB Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCCl 6201746 FUXFDRLPYNWLDL-INIZCTEOSA-N 395.717 5.915 50 40 GKGB Cc1cc2nc(/C(C#N)=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)[nH]c2cc1C 35169337 YHNUAPKXXZQWCG-XGICHPGQSA-N 387.226 5.459 50 40 GKGB CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 98210392 ALFSYYNBKXKTJH-ZETCQYMHSA-N 394.112 5.593 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1cccc(F)c1 209402457 YDMNQTNQSAKLGW-LPYMAVHISA-N 387.454 6.176 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)c1 408753007 KQDLMDUBKGNJNS-MOSHPQCFSA-N 391.312 6.229 50 40 GKGB CC(C)(C)c1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(C(C)(C)C)c1O 409007919 RTZFHQZVBFTXCE-ATVHPVEESA-N 382.548 5.343 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4836813 JDBNIYLDUHTZBR-SDNWHVSQSA-N 393.786 5.054 50 40 GKGB CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 5022831 WGUQEUHRIPFLCV-MTJSOVHGSA-N 396.471 5.953 50 40 GKGB COc1cc(/C=C/C#N)cc(Br)c1OCc1cccc2ccccc12 6453777 HVRRFWYXPJLWKA-AATRIKPKSA-N 394.268 5.727 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)c3ccccc3F)o2)c(Br)c1 33509717 FHIRIHKBNZFLRG-SDNWHVSQSA-N 382.232 6.221 50 40 GKGB N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59335865 OSYQSJDGFUCYTP-JLHYYAGUSA-N 383.234 5.398 50 40 GKGB FC(F)(C(Br)Br)C12CC3C[C@@](F)(C1)C[C@@](F)(C3)C2 100405079 PPQUHFBVNFDQPN-LTCAWXSRSA-N 394.044 5.138 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccc(F)cc2[nH]1 408566008 CVNSLQZDDPAWFN-BOPFTXTBSA-N 387.389 5.484 50 40 GKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl 408777554 BWFHFKKQJNICNF-ZROIWOOFSA-N 375.255 5.246 50 40 GKGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408887504 OXSVMHVGGWEQOM-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 409056948 NSNWSBWDJBVLLN-OVCLIPMQSA-N 389.282 5.574 50 40 GKGB N#C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 409197200 YHVXHOQWJYXOFS-UPVZUOOXSA-N 398.249 5.011 50 40 GKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccccc2Cl)o1 1107261 SVDFJMZUEOMKFK-LJQANCHMSA-N 394.858 5.051 50 40 GKGB COc1cc(/C=N/c2ccc(Cl)cc2)ccc1N(CCCl)CCCl 1680314 OPNRUMJNOKPWQZ-LPYMAVHISA-N 385.722 5.383 50 40 GKGB CCCCOC(=O)c1cc(N/C=C(\C=O)c2nc3ccccc3o2)ccc1Cl 5419985 HTYVQWCYYLQEIL-WYMLVPIESA-N 398.846 5.090 50 40 GKGB CC/C(=N\NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(F)cc1 5517757 GBWXRHILELKCTH-LGUFXXKBSA-N 387.414 5.178 50 40 GKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(C)C 34746935 YAWBZFUPGVSULA-WOJGMQOQSA-N 375.472 5.430 50 40 GKGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2c1 408788142 BIKYDHSRHRFWPH-RVDMUPIBSA-N 392.842 5.056 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1 408803298 NJBWJIFWKHEEBS-SYVPYPDPSA-N 383.495 5.187 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c3ccccc3c(C)c3ccccc23)c1C 408999555 LPDDQVJQTKFYQT-HKWRFOASSA-N 390.486 6.464 50 40 GKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 1508511 XMFFHEAZTHCTCO-RVDMUPIBSA-N 378.815 5.154 50 40 GKGB C=C(/C(C#N)=C/c1ccco1)N(Cc1ccc(Cl)cc1)c1ccccc1N 6361575 GBAVVFQDXWSTMZ-QGOAFFKASA-N 375.859 5.643 50 40 GKGB Cc1ccc(/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 8371517 JEDXXNAGYNLACG-XQNSMLJCSA-N 393.461 6.931 50 40 GKGB C=CCn1c(C)c(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21 35383616 YVBKFIBTHQJLQI-DTQAZKPQSA-N 387.533 6.402 50 40 GKGB CC(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1 83260142 PPVQHHWDMYAQRB-YSMPRRRNSA-N 383.495 5.094 50 40 GKGB Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 100716113 XGPKFYFLRSIYBU-MHWRWJLKSA-N 375.453 5.132 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 106420481 GKKZEGBUMBDSEH-RELWKKBWSA-N 390.527 6.280 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)cc1 408586558 NWJNLJVXXDWJTN-WQRHYEAKSA-N 397.305 6.474 50 40 GKGB C/C(=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc(Cl)cc1 1469492 AJPRZQYILJOQGP-XYGWBWBKSA-N 393.918 5.104 50 40 GKGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5880580 WUPMYYPHFKPYLP-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCCC)ccc3ccccc23)cc1 20197590 GDXUTVXOISXPGC-KOEQRZSOSA-N 390.483 5.181 50 40 GKGB N#C/C(=C1\C=C(Br)/C(=N/O)C=C1Cl)c1cccc2ccccc12 102900269 BJDKZONPNOGIEO-DRFYVQGDSA-N 385.648 5.362 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C 408805820 HUYVAOTVAPLQJK-GHRIWEEISA-N 390.870 5.746 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)c1C 408819402 RVVBRUJVQAPMMP-LGMDPLHJSA-N 375.859 5.293 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1C 408968326 VLMFNLMXFPKGKL-STZFKDTASA-N 380.495 5.905 50 40 GKGB C=CCOc1c(CC=C)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 409079696 LOKWMJCIXXIRLI-XSFVSMFZSA-N 390.439 5.351 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 948305 NPULIULOHOZWBX-GZTJUZNOSA-N 375.497 5.168 50 40 GKGB CCCCOc1ccc(C(=O)N(CCCCl)[C@H](C#N)c2ccccc2)cc1 2278948 OMLRBWMTZIGRSI-OAQYLSRUSA-N 384.907 5.201 50 40 GKGB Cc1ccccc1/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 4853365 LEGYCGFPFDOFEK-MHWRWJLKSA-N 381.298 5.945 50 40 GKGB C/C(=N\NC(=O)c1cccc(N/N=C(\C)c2ccc(C)cc2)c1)c1ccc(C)cc1 4863727 AGNYTUYUHALFAE-VCNVVWDHSA-N 398.510 5.294 50 40 GKGB CC1(C)[C@H]2CC[C@H](C2)[C@]1(Cl)CSC(=O)S[C@H](Cl)C(Cl)Cl 5640191 HWKTUDBREZNAGP-GHSRWGRBSA-N 396.232 6.375 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)nc2c1 9263503 LIPXHDANNMAVPW-SDNWHVSQSA-N 397.463 5.556 50 40 GKGB COc1cccc2c(/C=C(\C#N)C(=O)NC3CCCCC3)c(-c3ccccc3)[nH]c12 59513149 QIOHWAXPGZTUKH-OBGWFSINSA-N 399.494 5.199 50 40 GKGB CCCCCCCCCCCCCC[C@H](CCl)OCCOCCCl 100923922 GBWAOBOPHFUSMP-HXUWFJFHSA-N 383.444 6.957 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2[C@H](C)CC1(C)C 260562829 BYLOPGFIIBUPGG-RXWSAZGZSA-N 387.527 5.733 50 40 GKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)c1 408788275 DKBBCVDNOPDJCD-ZSOIEALJSA-N 375.255 5.326 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(Cl)c2)cc1 408793420 FJVSDXSYZDNHNX-RIYZIHGNSA-N 375.255 5.110 50 40 GKGB Cc1c(/C=N/NC(=O)c2ccco2)c2ccccc2n1Cc1ccccc1Cl 409368731 KBOHRBKIJGDPPH-ZMOGYAJESA-N 391.858 5.008 50 40 GKGB O=C(c1ccc(Br)cc1OC(F)(F)F)[C@H](Cl)c1ccccc1 575362626 MHWOUGYJLNVRKE-CYBMUJFWSA-N 393.586 5.511 50 40 GKGB O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1cccc(Cl)c1 3098309 ULFFJSMVVAOPDR-YXLFCKQPSA-N 386.882 5.853 50 40 GKGB Cc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 4313654 ILTYQAYFSNLDMP-XNTDXEJSSA-N 381.844 5.744 50 40 GKGB CC[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1 4631530 CGIHQSKWDIBAID-XUEUYAKLSA-N 384.527 5.214 50 40 GKGB Cc1ccccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 4817099 GCTFNPGBMYIQPN-FOWTUZBSSA-N 385.448 5.202 50 40 GKGB C/C(=N\NC(=O)Cc1c(C)n(-c2ccccc2)c2ccccc12)c1cccs1 12345914 BBKIBWUKEJEWIQ-LFVJCYFKSA-N 387.508 5.083 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)o2)cc1 12461966 YNKVGWHOHNZJGH-VBKFSLOCSA-N 385.448 5.410 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408745913 WIRUYHHLTMORBF-HMMYKYKNSA-N 385.467 5.039 50 40 GKGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408792294 AMBGBJWMMLJCRC-LICLKQGHSA-N 398.890 5.300 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cc(C)cc(C)c2)cc1 408889227 AXBQFCMOMBBKCB-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3Cl)c2C)cc1 408943261 YRJKSJOFMVPKGK-OYKKKHCWSA-N 394.906 5.466 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCC 409072210 MNDSVEUOMNTDMO-GZTJUZNOSA-N 396.874 5.021 50 40 GKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Cl 4545770 TYXKORWEAFLZIF-BGHCKBSUSA-N 380.875 5.434 50 40 GKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccccc3F)cc2)cc1 33749536 DIHURZRRPOFYPN-RGEXLXHISA-N 386.426 5.216 50 40 GKGB BrCc1ccc2nc(-c3cccc(Br)c3)sc2c1 73740262 GGSBNEQOOICHNX-UHFFFAOYSA-N 383.108 5.621 50 40 GKGB Cc1ccc(/N=C2/NC(=O)/C(=C/C3=C(Cl)C[C@@H](Cl)C=C3)S2)cc1C 256055891 XZJNUXFHPWNZIB-TUTDSIAXSA-N 379.312 5.098 50 40 GKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(C(C)(C)C)c1O 408817711 WELQYRLNQJZLQK-LFIBNONCSA-N 394.490 5.672 50 40 GKGB CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)c1 409357318 IKYINGYZTMBGKU-AQTBWJFISA-N 377.827 5.841 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(F)cc1 409391560 IPYMFUPBDPSLDS-ODLFYWEKSA-N 377.390 5.617 50 40 GKGB CC/C(=C(\C#N)c1ccc(Cl)cc1)c1ccc(OCCN(CC)CC)cc1 1692244 JDZVHLCGXYUXLP-FCQUAONHSA-N 382.935 5.905 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1 15012385 UVRZFTRQELUCEE-QNGOZBTKSA-N 399.494 5.211 50 40 GKGB CC[C@H](C)n1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c2ccccc21 18210365 LNPVYPORQLMGPK-FVOVHSBVSA-N 393.494 5.621 50 40 GKGB ICCC(c1ccccc1)(c1ccccc1)c1ccccc1 60296363 HUBLQWZBFWLUGW-UHFFFAOYSA-N 398.287 5.846 50 40 GKGB CCCCCCCCCCCCCCCCCCCC[C@H]1CC(=O)OC1=O 100004478 YOGGQENQAQOXCE-QFIPXVFZSA-N 380.613 7.508 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1C 408805333 ACSMDWNAOLIMRL-RRIKHQFJSA-N 389.543 5.313 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc2c(c1)OCO2 409361595 HQTZFNOIPUFCLO-AUWJEWJLSA-N 394.770 5.301 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)o1 409368840 PGKDUQYMRGMCMN-MFKUBSTISA-N 384.435 5.084 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)c1nc2ccccc2[nH]1 4738885 UQTQTLPKXKZYLI-DEDYPNTBSA-N 399.457 5.502 50 40 GKGB C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc2c(c1)Nc1ccccc1S2 13149976 QKRYENYGCCGGQR-YDZHTSKRSA-N 377.469 5.259 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(C)c4C)c3C)[nH]c2c1 51093204 DXGVSNLORAKTOR-BKUYFWCQSA-N 380.495 5.960 50 40 GKGB O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2F)s1 58314183 YMPJBILYFRCYJJ-UHFFFAOYSA-N 380.366 5.330 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3C)n2)cc1C 85877960 FDGFOKYCDHCSCF-GZTJUZNOSA-N 390.468 5.620 50 40 GKGB CC(C)(C)OOC(C)(C)C#C[C@H](O)/C=C(\Cl)C12CC3CC(CC(C3)C1)C2 100676938 NFERKIKIABXLMA-ONVYHAKLSA-N 380.956 5.215 50 40 GKGB Cc1cc(C)c2c(c1)OC(c1ccccc1)=C/C2=C(/C#N)c1nc2ccccc2[nH]1 101168628 DHUDMUKMVNAMMV-FMQUCBEESA-N 389.458 6.048 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c(C)c1 408566323 FUZOZNYJZUMHLY-ODLFYWEKSA-N 384.458 5.791 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c2C)cc1 408782135 WDGBXBXZJIABOE-BKUYFWCQSA-N 380.495 5.960 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)CC)c(Cl)c2)c1 409012399 JTZKKZJCFAEGJP-ZCQLHAAUSA-N 398.890 5.462 50 40 GKGB COc1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409104307 CPPARYUKWOMHFM-OEAKJJBVSA-N 396.899 5.264 50 40 GKGB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)cc1C 664760 XNFGUEDWBOJKRV-OAQYLSRUSA-N 392.462 5.065 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3)n2)cc1 2281765 VFOMXBKCALJNIW-NTCAYCPXSA-N 381.888 5.839 50 40 GKGB C/C(=N/NC(=O)COc1ccccc1-c1ccccc1)c1ccc2c(c1)CCCC2 4724332 NTVBAANRXNJNAR-DIBXZPPDSA-N 398.506 5.152 50 40 GKGB Cc1ccc(-n2nc(C)c(/C=C(\C#N)c3nc4ccccc4s3)c2O)cc1C 5342618 DKMKCZGGAXTCPO-LFIBNONCSA-N 386.480 5.177 50 40 GKGB CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)c(Br)cc1O 6354845 GPLMCDGHOMLTAZ-MHWRWJLKSA-N 394.268 5.771 50 40 GKGB N#C/C(=C\c1cn(C(=O)c2cccs2)c2ccccc12)c1nc2ccccc2[nH]1 7342799 LXRTWCZJEPMJHP-NTCAYCPXSA-N 394.459 5.332 50 40 GKGB BrCCC[n+]1ccc2ccccc2c1-c1nccc2ccccc12 13207846 UKIGHHOUPGTADA-UHFFFAOYSA-N 378.293 5.128 50 40 GKGB CCCCCCSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 13284574 HMFCWRBZGPZMBQ-NRFANRHFSA-N 380.557 5.738 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc21 208452673 WREWAUIPWWUDCJ-MTJSOVHGSA-N 399.538 5.789 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 4575146 RXQIRVYJGSENAZ-JVWAILMASA-N 383.426 5.195 50 40 GKGB N#C/C(=C\c1c(-c2ccccc2)[nH]c2ccccc12)c1nc2ccccc2s1 5016947 ODHNNVQPNAXADV-SAPNQHFASA-N 377.472 6.509 50 40 GKGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 5696135 YQKYOAJJYCCYMN-FOWTUZBSSA-N 377.469 5.112 50 40 GKGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(C)ccc4[nH]3)o2)c(C)c1 9263500 YUKFCZCYHSLLHT-SFQUDFHCSA-N 397.434 5.291 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c(Cl)c3)n2)c1 100860098 PXKYAZJZWLSSGC-JLHYYAGUSA-N 385.851 5.588 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 408531900 MTEGKXUGALFUOA-SFQUDFHCSA-N 386.289 5.701 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Br)cc1 408534957 WZBFCQJIMLESDC-PTNGSMBKSA-N 384.660 6.427 50 40 GKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(C(C)C)cc1 408567384 MGYGPJUYFXHRGI-NDENLUEZSA-N 398.485 6.297 50 40 GKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCCCCCCCCCC1 408728125 VXHROHBLWDRHRL-QGZVFWFLSA-N 395.012 6.598 50 40 GKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc(F)cc1 408758626 OBFKIKYBZYYYDR-XMHGGMMESA-N 395.437 5.483 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 409043719 ACWXWHCVPUZRFV-MDWZMJQESA-N 393.245 5.467 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(F)c3)n2)cc1OC 13659089 DSDXGVVISARFJT-RAXLEYEMSA-N 399.422 5.082 50 40 GKGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 17201715 BCWFEVLIYCBYAD-MFKUBSTISA-N 396.849 5.212 50 40 GKGB ClCCN(CCCl)c1ccc(/C=N\Nc2nc3ccccc3s2)cc1 104385532 XJMFQDQSJWOMAB-BKUYFWCQSA-N 393.343 5.026 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408794080 HUHAHUPIYDRFPN-LFYBBSHMSA-N 395.673 5.510 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@H](C)CC)c(Cl)c1 409019904 KTWFXOFKTNVENV-PWDRBQJJSA-N 382.891 5.625 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(F)cc1 409391421 IDGCOHCCJZIGRI-NDENLUEZSA-N 391.417 6.007 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 4711234 BVJFQZPBJVVAIC-HAHDFKILSA-N 397.522 5.819 50 40 GKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)cc1 4784510 PHWRMTUMDUCQEI-OOHHOYHOSA-N 394.446 5.128 50 40 GKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1C 408543110 PARJBUDUOAVVIL-NDENLUEZSA-N 390.870 5.818 50 40 GKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)c1 408598569 DRCVBRXQIOXPIJ-JAIQZWGSSA-N 390.870 5.598 50 40 GKGB Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408883287 URXFRZFNMQOLQM-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB Cl[C@@H](c1ccccc1)[C@H](Cl)CN(Cc1ccccc1)Cc1ccccc1 1843045 JLEICQIVHNIUFR-PKTZIBPZSA-N 384.350 6.276 50 40 GKGB Br[C@H]1CC[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1 5395452 DBNPEHNXIFTVSX-ZCNNSNEGSA-N 375.306 5.105 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(C)cc1 6845245 OWKTUHGOLLNXEN-XKZIYDEJSA-N 399.446 5.345 50 40 GKGB CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 17080945 MIPNCCKHMJCLTD-XMHGGMMESA-N 395.934 5.821 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c(C)c1 39884514 DFHFLAWVHSMOFU-SFQUDFHCSA-N 376.843 5.763 50 40 GKGB Cc1cc2nc(/C(C#N)=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)[nH]c2cc1C 408543859 SAOLNSUKPDFROW-BOPFTXTBSA-N 397.434 5.511 50 40 GKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CCc2ccccc2)c1C 408590261 OLHAHIUEJGYGRK-MFKUBSTISA-N 393.918 5.139 50 40 GKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2F)cc1 408806757 BFLYLYARIFLXHH-PKAZHMFMSA-N 397.453 5.356 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1Cl 409019045 XXRGQHNWBDZLDG-LWLPBDFMSA-N 379.809 6.600 50 40 GKGB Cc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 954195 ASBUTOMRYPYOST-LICLKQGHSA-N 393.899 5.241 50 40 GKGB COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 1819894 OGNJWLAWWPYROF-SDNWHVSQSA-N 395.871 5.227 50 40 GKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 408538698 PGTFCOSMZIFQKK-PYCFMQQDSA-N 390.527 6.280 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408580529 CDXQRMQUNFAUAZ-KGENOOAVSA-N 385.419 5.037 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1C 408598458 AVQYHDVQDRWGMC-CPNJWEJPSA-N 384.508 5.936 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408811727 KQDMFIZYKZKGAO-CAPFRKAQSA-N 382.463 5.513 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 4063632 BSDMCNAIEBSBBI-RVDMUPIBSA-N 396.313 5.858 50 40 GKGB COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 5023953 FIWFIEHMMLHMMU-MTJSOVHGSA-N 396.471 5.814 50 40 GKGB C[C@@H](COc1ccccc1)N(CCCl)C1c2ccccc2-c2ccccc21 6487238 MOVVLGZPTVVAPA-SFHVURJKSA-N 377.915 5.765 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1NC(=O)c1ccccc1 8334386 SCQROFXKHURMBS-NDENLUEZSA-N 375.859 5.206 50 40 GKGB Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccc(C(C)(C)C)cc1 13286328 DQGPWROXDQGUDP-UCQKPKSFSA-N 379.529 5.217 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 33677110 PFARMFMTCURNPN-SLVCOGOPSA-N 395.890 5.775 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(C)c3)n2)cc1OC 100302573 JOLCSLUGFXYCMT-SFQUDFHCSA-N 391.496 5.421 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)Cn1cnc2ccccc21 408691618 IOUHYEOGRTZACE-AQTBWJFISA-N 399.881 5.876 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc2ccccc2c1 408742912 UCKLFGRGKSKHLA-JVWAILMASA-N 398.437 5.322 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408802166 XITGIRSIZNGABM-SAPNQHFASA-N 388.854 5.604 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H]1C[C@@H]1c1ccccc1 5531979 IGTZBZJFHNENRA-OSKVOAQMSA-N 399.277 5.507 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1Cl 7159159 UVPBLRYOEWXOLS-XMHGGMMESA-N 388.854 5.465 50 40 GKGB CC(C)C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1 14921532 WLFQIEUSJCOLFD-HELSZXIZSA-N 396.534 5.559 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408805661 BNOPBVFCOOSIBN-GHRIWEEISA-N 390.870 5.826 50 40 GKGB FC(F)(F)c1cc(Br)c(CBr)c(C(F)(F)F)c1 575341209 PPWBISYJKDXSJP-UHFFFAOYSA-N 385.927 5.382 50 40 GKGB O=C(CCl)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCCC2 1328859 ORTSBRVSYDOXQT-UHFFFAOYSA-N 382.312 5.079 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3C)n2)c(C)c1 4333978 XQKDYATUJSDOKP-LFIBNONCSA-N 390.468 5.620 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 6080109 KRKDSJBUJJSDNQ-MOSHPQCFSA-N 379.419 5.662 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3Br)n2)c(C)c1 6814062 BLKASQVYZZOYFM-MHWRWJLKSA-N 395.325 6.254 50 40 GKGB CC1(C)[C@H](Br)C(=O)C[C@@]2(C)[C@@H]3CC[C@@]4(C)CCC[C@@H]4[C@@H]3CC[C@@H]12 25544739 ZPVSFFKADISUJX-BQVSSROESA-N 381.398 5.998 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCCC2)c1C 408967233 PJTXJQJEMPNQHI-QNGOZBTKSA-N 375.516 5.012 50 40 GKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)Nc1ccccc1 409068725 BQXHMDUNMSZQCS-HMAPJEAMSA-N 381.888 5.647 50 40 GKGB CCc1cccc2c(/C=N/NC(=O)c3cc4c(s3)CC[C@@H](CC)C4)c[nH]c12 3438192 KKUCGAXYFQYIAY-FIKYGGOLSA-N 379.529 5.071 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(F)cc1 3663665 FGVNFKUFHROSHH-LSHDLFTRSA-N 377.202 5.156 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cccc4ccccc34)cc21 208455992 PVARBHVDKMGLHG-JVWAILMASA-N 397.522 5.544 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)c1 408600307 BJOPTDCSGFWOIF-XNTDXEJSSA-N 378.378 5.387 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)cc1C 408870586 TXSQVVXYUVQDDC-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 409201301 LGZFOCGLMXDQFI-GHRIWEEISA-N 392.867 6.464 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2c(c1)OCO2 409361024 GJRYWNYBPBTQNG-QPEQYQDCSA-N 384.218 6.046 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C/C=C/c2ccccc2)nc1-c1cccs1 1100593 KASZIOZYBJRRNL-KSHOZRLPSA-N 377.494 5.450 50 40 GKGB O=C(N/N=C/CCc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 4553596 ZTQSDIXJKOQNSB-PCLIKHOPSA-N 392.886 5.267 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1Cl 4827337 ZVMVAAHFNKRHEC-NTEUORMPSA-N 395.871 5.477 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 6356346 SQAFOWDZVBBBHS-YVLHZVERSA-N 391.452 5.353 50 40 GKGB CC(C)(C)[C@H]1CC=C2[C@@H](C1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 33936240 NFXZDTCVCVBRRP-JCGVRSQUSA-N 396.947 5.267 50 40 GKGB Cc1cc2c(cc1/C=N\NC(=O)c1cc3ccccc3o1)[C@H](C)CC(C)(C)N2C 208227938 MTBIPOVBPPQKGQ-OOHHOYHOSA-N 389.499 5.227 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3F)cc2[C@H](C)CC1(C)C 208321375 GBTDZMATZGJSNV-FRQJIFLKSA-N 381.495 5.010 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1cccc(Cl)c1 408598798 JUPGPUFJKNYHFU-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408872585 GTUHJWVQVUUWIV-XOBLPBBUSA-N 390.405 5.242 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 408992414 RROBWIWOGJJJMM-RVDMUPIBSA-N 399.435 5.081 50 40 GKGB ClC(Cl)c1nc(-c2ccc(Br)cc2)nn1-c1ccccc1 947257 RZCIPRFFIQHXDL-UHFFFAOYSA-N 383.076 5.173 50 40 GKGB O=C(N/N=C(\c1ccccc1)c1ccccn1)c1sc2ccccc2c1Cl 5680295 VQCMRLSXRFUNRH-LYBHJNIJSA-N 391.883 5.132 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1 59202125 NVBYJZMCCDINIJ-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB C/C(=N/NC(=O)Cc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 83254614 VRWOYEMJSUAODA-UQQQWYQISA-N 392.886 5.002 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(Br)cc1 408738143 QKRBIZPACNDVBN-CPNJWEJPSA-N 377.285 5.921 50 40 GKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)o1 408959768 FPNGRRLYDKNCIQ-WJDWOHSUSA-N 397.352 6.036 50 40 GKGB N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2)cs1 4175278 KJKFQNOOTFGONT-FMIVXFBMSA-N 390.270 6.233 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 6240253 ZJBJEJMDFSBZLZ-VQHVLOKHSA-N 386.065 5.846 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)ccc3OC)n2)cc1 6355323 JKCKDHPWRBKKQP-BOPFTXTBSA-N 392.480 5.290 50 40 GKGB N#C/C=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 33574441 CKHMHKDPMAYYPS-OWOJBTEDSA-N 383.072 5.872 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2s1 33654304 RRYMHSFGUHURGX-SAPNQHFASA-N 398.512 6.118 50 40 GKGB N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 96751813 HEMZGCMDJQUVDX-LGMDPLHJSA-N 398.447 5.848 50 40 GKGB COc1ccc(/N=C\c2ccccc2P(c2ccccc2)c2ccccc2)cc1 100409088 IBFUUZLLVDAISF-OOAXWGSJSA-N 395.442 5.204 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408578736 ANBFDUJRMOVPEA-NTUHNPAUSA-N 396.701 6.508 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 408579836 KGESYNDMAUBNGP-PXLXIMEGSA-N 382.463 5.385 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(C)cc2C)c1C 408967272 PSGCJLGNDUIJFX-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CCSc1ccc(Cl)cc1 4502874 KYXLYXAQOCZVDD-XQNSMLJCSA-N 388.964 5.682 50 40 GKGB Cc1cc(-c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])cc1C 4596716 IAOQJYUTEILSNP-PTNGSMBKSA-N 384.395 5.412 50 40 GKGB N#C/C(=C/c1cccc2ccccc12)c1nnc(NC(=O)c2ccccc2)s1 4852565 LUWUBPDTIHUSBL-AQTBWJFISA-N 382.448 5.008 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccc(Cl)cc1 408580955 SOYFBZKQLMCITQ-DEDYPNTBSA-N 389.838 5.681 50 40 GKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccccc1Cl 408813525 DAGWHZDNECYNMC-CFRMEGHHSA-N 391.858 5.258 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 408965607 WGYFGXQQVYFURT-BHGWPJFGSA-N 392.764 5.383 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(C(F)(F)F)c1 4739631 YTAOZIZKQNVAAS-MZJWZYIUSA-N 392.380 5.776 50 40 GKGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc([C@H](C)CC)cc2s1 20133014 CHAOGVPASDXEDS-DGCLKSJQSA-N 383.355 5.702 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)c1 35362227 BPDRVSNJVMXTGX-BKUYFWCQSA-N 380.495 5.960 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1 36047383 IEQZVBKMSOZGJP-SXGWCWSVSA-N 377.425 5.050 50 40 GKGB Cn1c(/C(C#N)=C/c2ccc(Oc3ccccc3)cc2Cl)nc2ccccc21 41158220 LJBNTKPSFGNTQR-GHRIWEEISA-N 385.854 6.083 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1F 408745847 PMMVZERLYFPTCL-ATVHPVEESA-N 393.849 5.432 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1C 1241407 AINPDBAHLPEWPU-SFQUDFHCSA-N 389.480 5.175 50 40 GKGB O=P(Nc1nc2ccc(Cl)cc2s1)(c1ccccc1)c1ccccc1 1442493 HTHHOVTZVNRQQC-UHFFFAOYSA-N 384.828 5.291 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c[nH]c4ccccc34)[C@@H]2C1 4149907 PTXNBFKYVVSJJY-YBOAYWMSSA-N 395.510 5.034 50 40 GKGB O=C(CCCl)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 4214961 DSJSXDIVANSHNZ-UHFFFAOYSA-N 381.284 5.219 50 40 GKGB N#C/C(=C\NC(=S)Nc1ccccc1Cl)C(=O)c1ccc2ccccc2c1 6576600 CUFWHZYMDAZLLP-GHRIWEEISA-N 391.883 5.070 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3C)o2)cc1 408746599 SYLXXRHTGOMONV-PTNGSMBKSA-N 392.842 5.463 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)[nH]c2c1 409392688 RHPBRGWVLIVKNH-NDENLUEZSA-N 396.494 5.660 50 40 GKGB CCCCCCC/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 8426995 QENLRXVRZLIXRA-BOJFNEGLSA-N 393.531 5.010 50 40 GKGB CN/C(=N\c1cccc(C(F)(F)F)c1)SCc1ccc(N=C=S)cc1 16958725 JLGLYOGXDCENSE-UHFFFAOYSA-N 381.448 5.580 50 40 GKGB Cc1cc2nc(-c3ccc(Br)c(NC(=O)CCl)c3)oc2cc1C 226328434 OADWXQBUBHLBAA-UHFFFAOYSA-N 393.668 5.051 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc(C(=O)O)cc1 408541137 DXFGXUSSMRRELR-DHDCSXOGSA-N 393.782 5.061 50 40 GKGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)o1 408566540 AKHKNVDGDIDUMC-ZSOIEALJSA-N 387.370 5.033 50 40 GKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2)c1 408568262 SGSCPZBLHZQVTK-UNOMPAQXSA-N 383.426 5.654 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCC 408582741 PTMOENGGEVVEKI-CXUHLZMHSA-N 387.863 5.219 50 40 GKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)cc1 408598991 NDDHEMWXLFSCRO-NDENLUEZSA-N 390.870 5.598 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OC(C)C)ccc2ccccc12 408869660 SSLMLBPNFDUMDC-HMMYKYKNSA-N 384.479 5.735 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c1 409238394 ZIWQVBLJQBAKNB-ZOLHPDHPSA-N 397.522 5.495 50 40 GKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 867580 MNVRBBFCZYFCKK-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1CCCC2=O 1436318 GMRYVSFZLVLVFN-IBGZPJMESA-N 395.915 5.015 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1 33338995 NVGYKMFOCUZDNV-HAHDFKILSA-N 396.490 5.737 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2[C@H](C)CC1(C)C 208314554 ISEHXEPUTWMLAE-RXWSAZGZSA-N 387.527 5.653 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c1 408853156 YTUFGBWJAYWRCL-QFEZKATASA-N 385.467 5.221 50 40 GKGB CCOc1ccc(NC(=O)N/N=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1 408854151 YNNFHANXQLQDFG-YDZHTSKRSA-N 383.492 5.193 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)c1 408865278 CRTUHOUFXJZQLQ-PXLXIMEGSA-N 382.463 5.146 50 40 GKGB O=C(c1ccccc1)[C@@H](Br)[C@H](C(=O)c1ccccc1)c1ccccc1 1759445 HYUAUXQISNIYJN-UXHICEINSA-N 393.280 5.300 50 40 GKGB Cc1ccc2sc(-c3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)o3)nc2c1 11615657 CFLLVPLWCQLAJY-SDNWHVSQSA-N 382.448 5.805 50 40 GKGB N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 13615839 ORMPGADPNWPRPG-VELFRKFLSA-N 382.444 5.537 50 40 GKGB CCCC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(C)cc2s1 20132879 ZDPLDERAMSCONC-VIFPVBQESA-N 375.719 5.150 50 40 GKGB CCOC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 59399065 RWWOFPBKMMBCMO-QGOAFFKASA-N 391.854 5.542 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)cc1OC 409010441 DYFSDISWXAWPNE-PCLIKHOPSA-N 390.483 5.100 50 40 GKGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cc2cc(Cl)ccc2o1 409022476 PNHDQSIYMBOELJ-WGARJPEWSA-N 398.849 6.157 50 40 GKGB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc(SC#N)cc1 13601854 IBNLENHQXKNZHJ-MOSHPQCFSA-N 384.464 5.131 50 40 GKGB N#C/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 33731872 JSKGVEQVKSHNED-OWOJBTEDSA-N 383.072 5.872 50 40 GKGB CC(C)Oc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 40139680 INGVJFWELUMFCX-RVDMUPIBSA-N 391.496 5.127 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc2ccccc12 59445310 JGQKOLSDZIGFIE-JVWAILMASA-N 398.437 5.322 50 40 GKGB Fc1c(F)c(F)c(SSc2c(F)c(F)c(F)c(F)c2F)c(F)c1F 100101255 DVDJHJDHPBSYTN-UHFFFAOYSA-N 398.246 5.877 50 40 GKGB C[Si](C)(C)CCOC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 231923498 BSCMGFXVVZDEPO-UHFFFAOYSA-N 394.571 5.025 50 40 GKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408544936 WEJDHMKMWJFOOY-RGEXLXHISA-N 392.414 5.237 50 40 GKGB N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1824817 LNMBEZVMSNNGSD-JLHYYAGUSA-N 382.832 5.348 50 40 GKGB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Br)c1ccccc1 2581854 UEERJPPLSNDSCW-CYBMUJFWSA-N 392.602 5.434 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C/[C@@H]3C[C@@H]4C=C[C@H]3C4)c3ccccc3n2)cc1 4183096 MIMQTSZUPNOIGL-ARZWPBRQSA-N 381.479 5.138 50 40 GKGB N#C/C(=C/c1ccccc1)c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 4793353 PMHBYWDIVATYKG-HKWRFOASSA-N 396.540 7.025 50 40 GKGB CC(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 58917373 CGFZTACKWHJGRB-ZSGUECFFSA-N 379.891 5.027 50 40 GKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 59117012 DKIJSVGUQFQZIS-JXAWBTAJSA-N 382.891 5.845 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc4ccccc34)n2)c(C)c1 100840006 PIKKCQJFPADOFL-RGEXLXHISA-N 381.504 6.557 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1Cl 409013811 VWZZMAZMMQHMMA-QENILXLESA-N 380.702 6.888 50 40 GKGB O=[P@](Oc1ccc(Cl)cc1)(c1ccccc1)c1nc2ccccc2s1 3172225 HYLGFQHZBWDYMK-DEOSSOPVSA-N 385.812 5.258 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C3\CCC[C@@H](C)C3)c3ccccc3n2)cc1C 6215838 UGOVPYFMZMRPLX-BMJQMZGESA-N 385.511 5.815 50 40 GKGB Cc1n[nH]c(C)c1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 40139735 FVNNXFRVKXINIA-VZUCSPMQSA-N 375.284 5.521 50 40 GKGB CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CC/C(C)=N/NC(N)=O 43729537 SFOCYFZQHHWIRZ-VFCHIIOHSA-N 387.612 6.336 50 40 GKGB Cc1cc(Cl)ccc1NC(=O)C(=O)NN=C1CCCCCCCCCCC1 59515762 SRJZXIURYXPPCJ-UHFFFAOYSA-N 391.943 5.364 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408580484 PTKCGNXWYBETAJ-UDWIEESQSA-N 377.846 6.431 50 40 GKGB CCCCOc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 408601886 LYIRKXXYYHASLG-XYGWBWBKSA-N 386.451 5.529 50 40 GKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1 408760663 CNTYOSNUQNCORS-STZFKDTASA-N 396.446 5.014 50 40 GKGB Cc1nc2ccc(Cl)cn2c1C(=O)NN=C1CCCCCCCCCCC1 637504 OEKFSCKOHMWLOM-UHFFFAOYSA-N 388.943 5.687 50 40 GKGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc4cc(Br)ccc4c32)cc1 692213 KASDNHVIDRNQIC-LJQANCHMSA-N 391.268 5.129 50 40 GKGB FC(F)(F)c1cc(Cl)nc(Cl)c1[C@@H](Cl)c1ccc(Cl)cc1 91695089 DCTWCUDZPBLPKU-NSHDSACASA-N 375.004 6.389 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1F 3947287 UYUHZMZNMSRUPI-LDADJPATSA-N 399.425 5.354 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3Br)n2)cc1C 8664758 OKBXBVXSAKPVOS-LICLKQGHSA-N 395.325 6.254 50 40 GKGB O=[N+]([O-])c1cccc(/C=N/c2ccc3c(c2)[C@@H](Br)c2ccccc2-3)c1 18085063 JMAXOOIYEFBEBJ-CNSRZQHFSA-N 393.240 5.810 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59117446 UPXXYYXGKPMHNT-OQLLNIDSSA-N 389.282 5.574 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 59201471 BVPHRRGAZORNME-ZHZULCJRSA-N 392.499 5.427 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C 223527874 CSNSVQDAVVCHDW-BGHCKBSUSA-N 383.923 5.216 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 260562913 CTZLEGVTAWGISV-BDBXIWDTSA-N 387.527 5.571 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC 408583705 WUDQXQLVTFKTAM-LICLKQGHSA-N 399.874 5.385 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 409121900 VQJHMGIWSJZGJW-PCLIKHOPSA-N 392.886 5.002 50 40 GKGB CC(C)c1ccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)cc1 2163380 ZQAGQWGGSMCEMY-UHFFFAOYSA-N 379.465 5.521 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)cc1C 2313168 VSMJILJJFRJDGO-LDADJPATSA-N 399.475 5.510 50 40 GKGB CCCCCCCCOc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 3208968 LFPRVHLEMROEBI-YZSQISJMSA-N 391.515 5.671 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc2ccccc2c1 33850689 SJPMWBGYYBVFMH-UNOMPAQXSA-N 399.833 6.516 50 40 GKGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21 59336418 PEACYJYGRZNQQI-KAMYIIQDSA-N 394.261 5.127 50 40 GKGB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1 100148747 DMLJEAOBEKQQQE-YBEGLDIGSA-N 396.903 5.249 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc21 208452458 PWSSPTZAXMJDRE-NDENLUEZSA-N 385.511 5.481 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c1 408591897 VYVPLCKMEVZQBO-WGOQTCKBSA-N 381.479 5.320 50 40 GKGB COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1C(C)C 408847467 NAOFYORMNDVRRM-CIAFOILYSA-N 384.479 5.826 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2F)c(Cl)c1 409051330 KVWCGWDSKNLMMO-DHRITJCHSA-N 396.849 5.130 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 6429498 GANVODYQLCOPJE-GHRIWEEISA-N 398.890 5.463 50 40 GKGB N#C/C(=C\c1ccc(O)c(I)c1)c1cccc2ccccc12 6496562 QXGZKGYVYGFVKE-XNTDXEJSSA-N 397.215 5.214 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nc(-c2ccco2)cs1 11690661 BBXMKISZROFNRJ-GXDHUFHOSA-N 378.840 6.381 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 408807578 DEHRSTFIVOZPDT-FOWTUZBSSA-N 384.863 5.073 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C 408961974 WFWDHJCUWUNKPB-YSMPRRRNSA-N 399.494 5.475 50 40 GKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccccc3F)o2)c1 44950347 VIRXUALRGLKNNE-DHRITJCHSA-N 394.446 5.047 50 40 GKGB BrCc1ccc2nc(-c3cncc(Br)c3)sc2c1 73635257 SDDOOOSZHMQMEO-UHFFFAOYSA-N 384.096 5.016 50 40 GKGB O=C(N/N=C\c1c[nH]c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 83323715 BWLMNTNABBYYDE-YUMHPJSZSA-N 390.446 5.147 50 40 GKGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)Sc1nc2ccccc2[nH]1 408599014 NRZLZKUPHXXOEW-XSFVSMFZSA-N 383.476 5.799 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 408754762 RLEQSXICGYITKV-KAMYIIQDSA-N 380.856 5.630 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1Sc1ccccc1)c1ccccc1 409237943 YCVOEXHCDJDHDN-WKSXIXGESA-N 384.504 5.622 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccccc3C)c3ccccc23)n1 409379309 WQOGUGHFQJEJNW-FYJGNVAPSA-N 394.478 5.059 50 40 GKGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 954199 UYOJZVKSCJJTSG-OQLLNIDSSA-N 397.862 5.072 50 40 GKGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 4714665 NBENZGTXVPTOSJ-GZPJKGAFSA-N 384.504 5.624 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(C)ccc3C)n2)cc1OC 17026205 ZUZANAYEHASMBQ-ATVHPVEESA-N 391.496 5.421 50 40 GKGB CCCC[C@H](Br)C(=O)Nc1nc2c(C)cc(Cl)cc2s1 20132831 WUPPLCPNDACMBO-JTQLQIEISA-N 375.719 5.150 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1C(C)C 408852813 IMWVFQMLDNUAEK-GZTJUZNOSA-N 382.891 5.716 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 409200509 HTTXQWQCEGFULH-YBEGLDIGSA-N 375.340 5.136 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc2ccccc2o1 2261936 LOYODZORRJIQDU-CVKSISIWSA-N 393.446 5.200 50 40 GKGB CC(C)c1ccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 4923414 GJINJUMFTZQGPI-FQEVSTJZSA-N 389.524 5.029 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 6209334 HNDIKCFPSYJHTB-YRNVUSSQSA-N 385.172 5.558 50 40 GKGB N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1 57414125 JLKYPYBFROUJFA-NXVVXOECSA-N 389.842 5.590 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21 208455095 JEEDHOUSDGTTLU-WQRHYEAKSA-N 389.474 5.312 50 40 GKGB COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 5023609 KHQOEVIVDXLEOP-CPNJWEJPSA-N 396.471 5.814 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408726672 UUJUKQYYUYIQGR-MOSHPQCFSA-N 386.407 5.247 50 40 GKGB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(CBr)cc1 2381179 PIDISHAWZWUURP-UHFFFAOYSA-N 392.196 5.660 50 40 GKGB N#CC(C#N)=C/C=C(\Sc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 2572979 ZZBHKVIOLKCSRC-LSCVHKIXSA-N 375.255 6.239 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 2777304 ZFGFUQHRVOZLOT-OQLLNIDSSA-N 387.266 5.412 50 40 GKGB CCOc1cc(C)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1C(C)C 4738532 KPLXPDFTFLOFOP-BRJLIKDPSA-N 392.421 5.300 50 40 GKGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 6283530 SOVVJJJOQIYMGR-FOWTUZBSSA-N 377.241 5.148 50 40 GKGB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC)N1 20029075 USNFTHIRTBWZLD-KRWDZBQOSA-N 390.936 5.132 50 40 GKGB O=S(=O)(c1ccccc1)[C@H]1[C@@H]2c3ccccc3[C@@H]1c1ccccc1[C@H]2Cl 104091232 UJHROKOHZLQDOP-GXRSIYKFSA-N 380.896 5.052 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21 208207511 WLGLHWVSJUGMOS-QJISPJEISA-N 393.918 5.608 50 40 GKGB CC(C)N1c2ccc(/C=N\NC(=O)CCc3ccccc3)cc2[C@H](C)CC1(C)C 260572608 XKHYRHDFDWDYOV-FDRCZSESSA-N 391.559 5.270 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)cc2)cc1 408882127 QATRFABBLPJMAR-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB COc1cccc2cc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)oc12 408971021 CQRYIYKZKHUMMK-CVKSISIWSA-N 394.430 5.512 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 409053180 MHNGCZXCGFJNCM-DHRITJCHSA-N 396.849 5.130 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cccc(Br)c2)cc1 5632590 VQHKECBRQISIAS-BAOAJVHZSA-N 399.332 5.000 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C(C)C)cc1 33406454 OVRQIDQEXNDHCF-JCMHNJIXSA-N 383.495 5.763 50 40 GKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(C)cc1 40889209 CTIBTEPHBMCTLO-STZFKDTASA-N 398.462 5.128 50 40 GKGB Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)c1 408746426 ZBLOHEQMWKPFNG-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1cccc(F)c1 408865083 BMLFZWHHFTUIBT-CJLVFECKSA-N 384.454 5.525 50 40 GKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1 408876637 PLWLFTFWOBGMIB-FOWTUZBSSA-N 377.241 5.148 50 40 GKGB Cc1cccc(Cn2cc(/C=C(/C#N)c3cccc(Cl)c3)c3ccccc32)c1 409001669 QDSGCBJYZNXPFL-BKUYFWCQSA-N 382.894 6.716 50 40 GKGB CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 3233860 QDHVKAGFVPJSMB-LVZFUZTISA-N 392.458 5.768 50 40 GKGB C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)cc1 4619423 SILDOCNPGYSTSO-OEAKJJBVSA-N 390.314 5.138 50 40 GKGB C/C(CC(C)C)=N/NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12 17077672 NHCIPDBHDLMXHT-MYYYXRDXSA-N 379.891 5.707 50 40 GKGB CCCCCC[C@@H](Br)C[C@](F)(Cl)C(F)(F)Br 59188659 IVXKUGOCECZHGU-RKDXNWHRSA-N 388.493 6.003 50 40 GKGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2)cs1 100947636 IBYJXACYUXCJGI-GHRIWEEISA-N 389.480 5.272 50 40 GKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)o1 408549721 XQBDPRXFWJGTRT-UYRXBGFRSA-N 396.402 6.081 50 40 GKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccccc1 408566242 FJNMBRYHZDIDDC-WQRHYEAKSA-N 399.425 5.354 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409060139 XSLLMIVDSAJEIQ-RIYZIHGNSA-N 375.211 5.531 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC 409393926 TVBJQWRPPYKGTF-NVNXTCNLSA-N 390.252 5.450 50 40 GKGB O=C(Cl)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12 1593708 GOHALNCPAIAWDJ-UHFFFAOYSA-N 378.258 6.601 50 40 GKGB O=C(N/N=C/c1c(Br)sc2ccccc12)c1cccc(Cl)c1 1882501 QGBOPILZCJADLL-DJKKODMXSA-N 393.693 5.081 50 40 GKGB CCOc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(F)cc1 33751057 JUBXBSKKNONMJJ-ONEGZZNKSA-N 376.225 5.103 50 40 GKGB O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(OCc2ccccc2)cc1 100309044 BIGMIHPCRWJUCL-IMRQLAEWSA-N 394.474 5.112 50 40 GKGB Cc1ccc(N2CC=C(c3ccc(Cl)cc3Cl)O[P@]2(=O)Cl)cc1 104232784 COGJAVDPUOGKKA-HSZRJFAPSA-N 388.618 6.526 50 40 GKGB CCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408816863 UUTPIBRKNVLPCM-XNTDXEJSSA-N 398.293 5.039 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)c(OC)c3)n2)cc1 1310373 KJCTWANUKVBMQV-GHRIWEEISA-N 391.496 5.366 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CCSc2ccccc2)c1C 28216985 CXGWMSPGQNDRMM-LFVJCYFKSA-N 391.540 5.035 50 40 GKGB N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 33773869 PRFHLDWGZOCMAU-HKWRFOASSA-N 384.439 5.197 50 40 GKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1c(Cl)cccc1Cl 59381670 MLKWTKLEGKXFFP-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB FS(F)(F)(F)(F)c1cc(Br)cc(CBr)c1 97949987 PSRNYAZILJJJGP-UHFFFAOYSA-N 375.982 6.001 50 40 GKGB COc1cc(/N=N\c2cccc([N+](=O)[O-])c2)ccc1N(CCCl)CCCl 104184709 QDGPFGQYMRHPHZ-MRCUWXFGSA-N 397.262 5.303 50 40 GKGB N#CC(C#N)=Cc1cc(Br)ccc1OCc1cccc2ccccc12 4511524 NBNLOKKTVGDYBV-UHFFFAOYSA-N 389.252 5.612 50 40 GKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4793919 ATPILSKRIMDSKP-LFIBNONCSA-N 375.453 5.078 50 40 GKGB CCC/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 4897906 PMBQUJLXLMICMP-WEMUOSSPSA-N 393.490 5.836 50 40 GKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 5379899 LDFHFGPJOVLOLD-WPWMEQJKSA-N 380.491 6.054 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 5525142 LSSVDPBVRISGJZ-XDJHFCHBSA-N 378.472 5.200 50 40 GKGB CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 6401464 MYKFTKGEVKPANS-QNGOZBTKSA-N 393.446 5.163 50 40 GKGB CCCOc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 20197621 GNCLIPVFPUNIHI-YZSQISJMSA-N 382.463 5.546 50 40 GKGB Cc1c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc2n1Cc1ccccc1 408540725 BELHWRWXBVQRKM-JCMHNJIXSA-N 392.458 5.760 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1nc2ccc(F)cc2[nH]1 408570943 ZRAMGTWRIQBIMY-XFXZXTDPSA-N 395.846 6.164 50 40 GKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccc1 408891430 QJXZNKLLYDXFAR-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCc1ccc(N2C(N)=C(C#N)[C@@H](c3cccc(Cl)c3)c3c(C)noc32)cc1 1073836 WKHSXMHXMRWOLK-HXUWFJFHSA-N 390.874 5.176 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)cc1 2307740 OAKYOEOXWFKSAJ-RVDMUPIBSA-N 383.423 5.697 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 2726957 FFJVXYKXLCLPRS-HZHRSRAPSA-N 397.522 6.072 50 40 GKGB CCCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Cl)cc2s1 20132828 WUPPLCPNDACMBO-SNVBAGLBSA-N 375.719 5.150 50 40 GKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2ccc3ccccc3c2)o1 408548363 GXPVKLRFLMIYEP-XSFVSMFZSA-N 380.403 6.381 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1 408752678 JFRYTPDXTKMNHD-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB Cc1cc(C)cc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1 3039953 UWWRWIHUUVJFTB-CVKSISIWSA-N 382.463 5.139 50 40 GKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)c1ccc(Br)cc1 6237902 ZFLLZXFMUCIAEX-RGEXLXHISA-N 384.276 6.820 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)c1nc2ccc(F)cc2[nH]1 408567249 LBSQKBNYPZWIFK-YVLHZVERSA-N 387.389 5.484 50 40 GKGB COC(=O)Cn1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c2ccccc21 408773737 IXTCKWWYCYMUIY-JYRVWZFOSA-N 385.250 5.185 50 40 GKGB Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2)cc1 408852316 JLCVIEDNNDUOLB-MYYYXRDXSA-N 384.435 5.084 50 40 GKGB C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21 408988949 SGJMNKJPXIGSAD-LGMDPLHJSA-N 389.886 5.643 50 40 GKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(C(C)C)c4ccccc34)cc2c1 409188028 WKUUQPAFERFEID-CFRMEGHHSA-N 389.455 5.131 50 40 GKGB N#CC(C[C@@H](Br)CBr)(c1ccccc1)c1ccccc1 1848491 ZYYSPXJVBQFPDN-MRXNPFEDSA-N 393.122 5.045 50 40 GKGB CC(C)CCOc1ccc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 3389163 XBAJDDANAIGWJD-BRABVMKYSA-N 384.545 5.062 50 40 GKGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 4723062 ZTMSIBGRXMAZCB-UXBLZVDNSA-N 386.065 5.846 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccn1 6049296 CCEHSWPXPGIAOC-BUVRLJJBSA-N 395.915 5.181 50 40 GKGB CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 98210393 ALFSYYNBKXKTJH-SSDOTTSWSA-N 394.112 5.593 50 40 GKGB N#C/C(=C/c1cc(/N=N/c2ccccc2)ccc1O)C(=O)Nc1ccccc1F 408808420 GSOBBIONVCRGPM-KNXQWKLUSA-N 386.386 5.492 50 40 GKGB Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408965477 HWBHBFFSFFCYJK-YSMPRRRNSA-N 397.482 5.106 50 40 GKGB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1C 664749 JYSOMAOKBXKIIF-HXUWFJFHSA-N 398.510 5.209 50 40 GKGB Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 1436397 FLLXEGGKWQBMST-GOSISDBHSA-N 395.915 5.015 50 40 GKGB COc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1 4175298 DAEWGYOZFZXLFZ-RVDMUPIBSA-N 395.915 6.066 50 40 GKGB Cc1ccc(SSC[C@@H](O)[C@@H](O)CSSc2ccc(C)cc2)cc1 17190043 FMZZGVNNDQNDED-HDICACEKSA-N 398.640 5.206 50 40 GKGB CCCC/C(=N/NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 33566493 RHNIOQBZUXAGLT-LCUIJRPUSA-N 386.495 5.590 50 40 GKGB CC(C)(C)[Si](C)(C)Oc1ccc2ccc(O[Si](C)(C)C(C)(C)C)cc2c1 196294005 BQIQGGLDASBLPY-UHFFFAOYSA-N 388.700 7.608 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)c(C)c1 408549668 WNVRMRZYSWITAZ-QQXSKIMKSA-N 376.503 6.928 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1 408583844 XODMUXRIULIIEF-UDWIEESQSA-N 375.855 5.992 50 40 GKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)cc1 408768296 FAEDTQKAJKBKFL-OWBHPGMISA-N 388.298 5.385 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC 408787665 DIIWJDOCWNKBLM-GZTJUZNOSA-N 396.874 5.158 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)cc1 408802862 IKUQDVHFEMHCEV-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1nc2ccccc2o1 409067286 OUKOOTUPXRCQGD-CPNJWEJPSA-N 396.402 5.169 50 40 GKGB N#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2297862 RVCIGHSIYYNVHY-RHESKXDESA-N 390.511 7.097 50 40 GKGB N#C/C(=C\c1c2ccccc2c(Cl)c2ccccc12)c1nc2ccccc2[nH]1 4864387 BQXGKUWRCWQYOB-FYWRMAATSA-N 379.850 6.587 50 40 GKGB CCc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 6428882 IGPWGUJOBMVMBI-WLRTZDKTSA-N 390.226 5.010 50 40 GKGB CC(C)c1ccc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 30735288 DOLAJXIXUHGSDO-ONUIUJJFSA-N 387.527 5.184 50 40 GKGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@@H]2Br 100848738 OSCXACVZPRKXIO-DAXOMENPSA-N 391.136 5.522 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2[C@H](C)CC1(C)C 260572458 VRLJLSVGDJREKN-RXWSAZGZSA-N 393.575 5.543 50 40 GKGB C#CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 408549245 RIOPNESQTNOMRT-NDENLUEZSA-N 388.264 5.678 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)cc2)cc1 408587623 SNKGMWLSMZZIBB-NDENLUEZSA-N 394.301 6.945 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2F)c1 4547353 XMQDRSYZIMJVDE-DEDYPNTBSA-N 386.426 5.259 50 40 GKGB O=C(/C=C\c1ccccc1)[C@H](Br)[C@H](Br)c1ccccc1 5004956 QWRCGOMWOXYYBU-MMCLNADLSA-N 394.106 5.169 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5756247 RHROCJPWQOHIDA-XNTDXEJSSA-N 397.261 6.108 50 40 GKGB N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 8846223 YXUWMXKEMPGUDO-GOSISDBHSA-N 398.249 5.054 50 40 GKGB CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 19879939 HTBIWHGQMIRGGY-QGZVFWFLSA-N 390.936 5.131 50 40 GKGB CCCCCCCCCCCCCC[C@H](Br)CBr 100075920 JFIKENUFKAQPIP-INIZCTEOSA-N 384.240 7.236 50 40 GKGB Cc1cc(NC(=O)CSC#N)cc2nc(-c3ccc(-c4ccccc4)cc3)oc12 226327993 PPMSZDFAMYNRCH-UHFFFAOYSA-N 399.475 5.623 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(C)C 408542140 HALMUSGCCFBRSN-ODLFYWEKSA-N 389.499 5.677 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3C)o2)c(Br)c1 409174975 WYAMLRZGZWSSQC-WSDLNYQXSA-N 397.272 5.090 50 40 GKGB CC(C)(C)c1cc(/C=N/NC(=O)c2cccc3cc[nH]c23)cc(C(C)(C)C)c1O 2215854 XQLYCJVXQDEUMJ-VULFUBBASA-N 391.515 5.232 50 40 GKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(Oc2ccc(Cl)cc2)c1 3288164 RDSOIRJYAXLBNM-BYWKRUABSA-N 394.902 5.734 50 40 GKGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1cc(C)ccc1C(C)C 5379980 SARVWCWDCVYYGH-WRMUBAMSSA-N 376.500 5.259 50 40 GKGB Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)s1 6216314 JBUBCZLXMMYEFV-YDZHTSKRSA-N 386.561 5.299 50 40 GKGB Cc1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(C)cc2)cc1 11851849 MUXVUBMGHRLSCK-UHFFFAOYSA-N 388.558 5.042 50 40 GKGB C[C@@H]1C/C(=N\NC(=O)c2cc(-c3cccs3)nc3ccccc23)CC(C)(C)C1 33042777 SIPDGROTBWXNEN-DAWOQIAZSA-N 391.540 5.895 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OC(C)C 59202146 VNSCESWQHVXDBY-XDHOZWIPSA-N 378.472 5.035 50 40 GKGB ClC[C@@H]1[C@@H](CCl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100897733 FUZORIOHZSVKAW-FLMVNYLGSA-N 397.771 5.542 50 40 GKGB in-vitro CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(Cl)c3)cc2[C@H](C)CC1(C)C 208320773 KBAMYNXYHJYRLB-FRQJIFLKSA-N 397.950 5.524 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(OCC)c1O 408805009 IKGVWCTXIIPEAJ-GZTJUZNOSA-N 396.874 5.027 50 40 GKGB COc1ccccc1NC(=O)N/N=C\c1ccc(Sc2ccc(C)cc2)cc1 409241548 YGVLQCBRTOOHTI-HAHDFKILSA-N 391.496 5.310 50 40 GKGB CC(C)(C)c1cccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)c1 2561311 IORFSCBGLAPGHZ-UHFFFAOYSA-N 393.492 5.695 50 40 GKGB O=C(N/N=C/c1cccs1)c1ccc(CSc2ccc(Cl)cc2)cc1 3275404 ITCRYTGPBWAAOL-CIAFOILYSA-N 386.929 5.458 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)C1CCCCC1 5788740 BOEWNRAKDPJYJK-KOEQRZSOSA-N 396.560 5.072 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc(Br)cc1 5862445 UDLDRKOLXSSHIT-UHFFFAOYSA-N 379.342 5.840 50 40 GKGB N#C/C(=C\c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1ccccc1Cl 16742625 GQCKJCBCSZMYPD-SAPNQHFASA-N 398.853 5.200 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)cc2)c1 59133241 GFOUKGBUGQETQR-MOSHPQCFSA-N 386.426 5.259 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1 59335480 DLIYDZXNEYCJFC-QNGOZBTKSA-N 399.494 5.347 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1cccc([N+](=O)[O-])c1 107876566 WSIGMGJYOVMBMB-UCQKPKSFSA-N 393.446 6.220 50 40 GKGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 408799501 ZPXXVCPBKWXJNL-GZTJUZNOSA-N 398.890 5.245 50 40 GKGB Cc1cccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 4174870 GBTKKLVWIJTWRP-YBEGLDIGSA-N 381.298 5.945 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 6358342 KEUAQLUAUJWWMU-TUTDSIAXSA-N 386.835 5.498 50 40 GKGB Cc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 6391578 JWEIQPLOXISLKT-CJLVFECKSA-N 393.515 6.762 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 6961593 SZRXBWSLEWTSAU-QNGOZBTKSA-N 399.494 6.364 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 15134495 ZVSPQSLUGOLEMO-XFQXTVEOSA-N 390.918 5.206 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12 59117575 FLFKCUWNUHSMEA-GXDHUFHOSA-N 397.261 5.701 50 40 GKGB C=C[Si](O/N=C(/C)CC(C)C)(O/N=C(\C)CC(C)C)O/N=C(\C)CC(C)C 169808823 NEWZDLBDOIOSJW-QQLCYVAVSA-N 397.636 5.966 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OC 408599769 ZKFZMGCKWXAHHG-AUWJEWJLSA-N 392.680 5.574 50 40 GKGB COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C(C)C 408791329 WCCRTMAMYVINQX-RQZCQDPDSA-N 382.891 5.635 50 40 GKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1 408870774 UOYHJKPEECMQMB-XDHOZWIPSA-N 390.845 5.616 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 408888187 XTFVVUCXLVYTFK-XNTDXEJSSA-N 389.282 5.574 50 40 GKGB N#CC(C#N)=C(Nc1ccc(F)cc1)SCc1ccc(Cl)c(Cl)c1 2341029 YNYIPRQCZJGOCD-UHFFFAOYSA-N 378.259 5.737 50 40 GKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12 3115604 OUFZBIWVTYEDRY-AFUMVMLFSA-N 388.854 5.176 50 40 GKGB CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)ccc1O 6168880 ZYFIMXMHCWJPIF-WOJGMQOQSA-N 376.481 5.541 50 40 GKGB CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3ccccc3F)ccc21 6342277 RSOSQFVAUPVXPJ-GHRIWEEISA-N 383.426 5.499 50 40 GKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc2ccccc12 38200136 UNFQWQQEEVHCQR-OQKWZONESA-N 398.465 6.692 50 40 GKGB N#CC1=C(SCC(=O)c2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccco1 102600961 LBLASODEDMNYIL-FQEVSTJZSA-N 390.464 5.165 50 40 GKGB CCCCSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1 102616190 KLLSMSRVQZXNOO-FQEVSTJZSA-N 396.556 6.134 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc2C(C)=CC1(C)C 208524011 ZNIHUCXQCQEONF-MOSHPQCFSA-N 385.511 5.563 50 40 GKGB COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1cccc2ccccc12 226337838 NIFFRKHLNAKLLZ-MDZDMXLPSA-N 387.262 5.859 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Cl)c1C 408745276 QTLSKRXFCOWZEL-UYRXBGFRSA-N 389.886 5.602 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccccc1 408874639 CYCUKFNEAABLPH-CPNJWEJPSA-N 390.845 5.616 50 40 GKGB Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 409053605 NNMSLXFZKGODHU-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB Clc1ccc([C@H](CI)c2ccccc2Cl)cc1 1705313 RBOZOSFDVBTWFD-ZDUSSCGKSA-N 377.052 5.560 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1cccnc1 5739774 WXMYVQZJSCQPKF-ZDLGFXPLSA-N 378.273 5.316 50 40 GKGB COc1ccc2cc(/C=C(\C#N)c3nc(-c4ccccc4)cs3)c(O)nc2c1 9134577 WOMQWNBYNYVENM-LICLKQGHSA-N 385.448 5.137 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc2c(c1)OCO2 16362184 JWOABCUDOQTDCL-QPEQYQDCSA-N 394.770 5.301 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)CCc3ccccc3)cc21 208466137 CDRSNDQZZOGBTD-MYYYXRDXSA-N 395.934 5.055 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(Cl)c1 408598706 IZHSXBKMRSJEPH-ODLFYWEKSA-N 380.274 6.637 50 40 GKGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C 408599715 YWISHKQEHQGUSQ-UNOMPAQXSA-N 390.870 5.598 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1 408743174 FBDQBNKRRAVYNY-QNGOZBTKSA-N 399.494 5.347 50 40 GKGB CCCC[C@@H](I)C[C@@](F)(OC(F)(F)F)C(F)(F)F 2530910 QQQSHSLFOZIZQR-RNFRBKRXSA-N 396.084 5.135 50 40 GKGB CCOc1ccc(N2C(C)=CC(=C(C#N)c3nc4ccccc4s3)C=C2C)cc1 12624537 MJQXXOFDVXKEIB-UHFFFAOYSA-N 399.519 6.300 50 40 GKGB CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 17078628 DFTLXUZDFCYSRC-NTCAYCPXSA-N 384.907 5.838 50 40 GKGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc2ccccc12 33451432 PESLOMUSCIWNGU-RCCKNPSSSA-N 388.474 6.188 50 40 GKGB O=C(N/N=C1/C[C@@H]2CC=C[C@@H]12)c1ccc(CSc2ccc(Cl)cc2)cc1 35418421 WRSMDMRLTBGRTP-BPZWCHMKSA-N 382.916 5.314 50 40 GKGB Cc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)N=C3CCCC(O)=C32)cc1 102596648 IFUZWFIAFPABML-QFIPXVFZSA-N 386.520 6.198 50 40 GKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccccc1F 408805596 HEARKCGVMIRNKA-LDADJPATSA-N 390.389 5.089 50 40 GKGB N#C/C(=C/c1ccccc1Br)C(=O)Nc1cccc(Cl)c1Cl 1095541 MGVYKLMWMODBCZ-FLIBITNWSA-N 396.071 5.302 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c3ccccc23)cc1 4722814 MMMAOKKBLKIVNY-SDXDJHTJSA-N 386.451 5.183 50 40 GKGB CC(C)c1cc(Cl)cc2sc(NC(=O)[C@H](Br)C(C)C)nc12 20133400 WQYBMDKLNQHCOU-GFCCVEGCSA-N 389.746 5.431 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3C)n2)cc1 100839987 NVMNBBMAQLEMQT-ATVHPVEESA-N 379.916 6.311 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(C#N)c1 408566923 JDUTVGHUOJRKRA-GZTJUZNOSA-N 375.225 5.645 50 40 GKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1 408767057 VDRUDRXBZICFPZ-QNGOZBTKSA-N 396.446 5.014 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccccc2C)c1C 408962570 ZHVZDBJXFXVGFU-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 409052763 AHTFDBPIPGWBIE-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1 409361416 HDTQKYSMXUAYOG-MOSHPQCFSA-N 390.280 6.092 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)NC1CCCCC1 13126071 LXRLUZBXKIHVNN-QINSGFPZSA-N 399.288 5.065 50 40 GKGB CC1(C)[C@H](Br)C(=O)C[C@]2(C)[C@H]3CC[C@@]4(C)CCC[C@@H]4[C@@H]3CC[C@@H]12 25544747 ZPVSFFKADISUJX-SQFRCFRUSA-N 381.398 5.998 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 27020783 NNDUTKNTHIHBFL-LDADJPATSA-N 389.480 5.150 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(OC)c3)n2)cc1 96572446 GLVROZYGRKTQLN-UNOMPAQXSA-N 390.508 5.931 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(C)c3)n2)cc1 100714772 IRQYCRVQIMGHIR-QGOAFFKASA-N 375.497 5.802 50 40 GKGB Cc1c(CCO[Si](C)(C)C(C)(C)C)c2ccccc2n1C(=O)OC(C)(C)C 197883311 NMYULIBHZXWELX-UHFFFAOYSA-N 389.612 6.297 50 40 GKGB N#CC(C#N)=C/C=C\C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1 205711054 HCQJGPBMJSVZOT-AUWJEWJLSA-N 388.470 6.479 50 40 GKGB Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccc(-c2ccccc2)cc1 408993715 FEBGLKJBKYBPNV-XYGWBWBKSA-N 383.451 5.118 50 40 GKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cccc(F)c1 409394127 WAYFWJNPPRWADA-NVMNQCDNSA-N 398.264 6.776 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 5214356 RNFYSXVDKRRHNG-GXDHUFHOSA-N 397.261 6.108 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 5678029 RZJWGQMQSZIQDP-XMHGGMMESA-N 396.877 6.501 50 40 GKGB Cn1c(-c2ccccc2)c(C(=O)/C(C#N)=C/c2ccc(O)cc2)c2ccccc21 5688730 RZDSKFQJCLRQHM-XDJHFCHBSA-N 378.431 5.341 50 40 GKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C3/C[C@@H]4CC=C[C@H]34)cc2)cc1 13147002 GRALOGQPOHSRSM-NBDDVHCISA-N 388.511 5.245 50 40 GKGB COc1cc(/C=C/C#N)cc(Br)c1OCc1ccccc1Cl 33714648 CDRRCEGIMNIPRZ-SNAWJCMRSA-N 378.653 5.227 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc3ccccc13)[C@@H](C)CC(C)(C)N2C 208216073 POHSZFTWMQKRMG-NLTKLDOMSA-N 399.538 5.634 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1 408567481 NTFNEUPAJFXBJF-UNOMPAQXSA-N 384.458 5.736 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc([N+](=O)[O-])c3)n2)cc1 4063682 WEDIDUXECFTGFF-FOWTUZBSSA-N 376.441 5.257 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccncc1 6414249 PPKIFASUHORHBU-JCMHNJIXSA-N 392.458 5.887 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c1C 28216381 NJUISMGNFSBRDD-IERINAHZSA-N 391.540 5.033 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)c1 408882910 OOYQCDQBZLCJSF-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1Cl 408886863 MSGBMHLYRUAUHR-WUXMJOGZSA-N 395.673 5.510 50 40 GKGB Cc1noc2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)N2c1cccc(Cl)c1 1073816 HCEMZHQUCBKDFR-GOSISDBHSA-N 397.265 5.267 50 40 GKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12 2131734 NDGXJMXWYWVFSX-YZSQISJMSA-N 380.447 5.279 50 40 GKGB CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 4511722 QKNOXAJLOGXDEI-XDHOZWIPSA-N 391.854 5.542 50 40 GKGB CCOc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1OC 6155225 SFXVVWMKJUVNLI-JYRVWZFOSA-N 376.225 5.060 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc2ccccc12 6496624 QBZGCSREKJRXES-JCMHNJIXSA-N 395.889 7.136 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 13512309 CWMOTEGAXGHXPY-QKYXUNIQSA-N 390.918 5.206 50 40 GKGB CCCC[C@H](I)CC(F)(C(F)(F)F)C(F)(F)F 71790006 IJWSNNHYHDWJKB-LURJTMIESA-N 380.085 5.203 50 40 GKGB Cc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1 408849883 AFLOQLKPRJROIL-IMRQLAEWSA-N 393.490 5.525 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1 959306 QGXLBRDQFPMOFS-JLHYYAGUSA-N 393.786 5.054 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1 4863031 NKNSHORUTCIQTC-XNTDXEJSSA-N 397.297 5.645 50 40 GKGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(C(C)C)cc1 13324331 OOEIJLOSVKMZFL-OXEWXOLVSA-N 376.544 5.751 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)c1ccncc1 28538195 NJHIQSIODLRTDP-SETPZQEVSA-N 391.559 5.376 50 40 GKGB O=C(N/N=C\c1cccc(Cl)c1Cl)C(c1ccccc1)c1ccccc1 35025915 MRAKEKWMIXQYPX-OYKKKHCWSA-N 383.278 5.276 50 40 GKGB CCCCCCCC/C=N\NC(=O)CCC(=O)N/N=C/CCCCCCCC 102181719 LVBIEEYYMYTFCQ-KDMDJZHMSA-N 394.604 5.472 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C\c1c2ccccc2c(C)c2ccccc12 408996000 CLXAFLKCUSDLDK-SDXDJHTJSA-N 392.458 5.856 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc(Br)cc2)cc1Cl 409010400 KHZUZTQDFZBMOA-WJDWOHSUSA-N 397.703 6.266 50 40 GKGB N#C/C(=C\c1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 4010710 HCVMAWRZUMTPCH-NTEUORMPSA-N 385.261 5.776 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(NC(C)=O)cc3)n2)cc1 5393633 SDKUJQQHWVIUGF-QGOAFFKASA-N 388.496 5.307 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccccc1Cl 7159162 BCPNDVYUZZQWOC-SDNWHVSQSA-N 393.786 5.054 50 40 GKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(Cl)cc1Cl 20248030 LVOVESSTUQKJIC-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB CCCCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1OCC 34695316 OOSIPBKWJARVLP-UQQQWYQISA-N 390.483 5.181 50 40 GKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1 408896015 OVDPLJATWWFHRV-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Cl 409011863 OPOWHZPFSUKHQF-BUVRLJJBSA-N 380.875 5.436 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NC1CCCC1 409191373 GDMORYAAJSEYBC-ZRDIBKRKSA-N 375.255 5.219 50 40 GKGB CC(C)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 695045 JAUCICGEBJGWMV-AFUMVMLFSA-N 386.451 5.385 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C 15226979 KXLZEWFOXREIQA-ZHZULCJRSA-N 387.458 5.341 50 40 GKGB ClCc1ccc2nc(-c3cccc(I)c3)sc2c1 73635176 OJUVONINULXKSB-UHFFFAOYSA-N 385.657 5.307 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 109138597 LQQSKYHZNSAOBF-LVZFUZTISA-N 394.490 6.111 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc4ccccc4c3)o2)cc1[N+](=O)[O-] 408548605 JOULYZPHAULRKS-BKUYFWCQSA-N 380.403 6.381 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408783504 PTIOZFKPNFZXTL-UYRXBGFRSA-N 389.886 5.602 50 40 GKGB CC(C)c1ccc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1 20238204 RULVVMOWIPTSAC-HXUWFJFHSA-N 395.572 5.158 50 40 GKGB Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(F)cc4)c3C)[nH]c2cc1C 59137168 WJALZMZQIIBTQP-UNOMPAQXSA-N 384.458 5.791 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1cccc2ncccc12 104378918 RNARQPHQPUYPCS-MYYYXRDXSA-N 386.326 5.578 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408735480 SOFFYWMGKSQQAB-GHRIWEEISA-N 390.870 5.828 50 40 GKGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3ccc(Cl)cc3)c2c1 409007921 RUYOQIUJMCWYPV-OYKKKHCWSA-N 396.874 5.055 50 40 GKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 1510752 KQIZTORUBJRQMV-NTCAYCPXSA-N 378.815 5.154 50 40 GKGB CC(C)c1ccc(O[P@](=O)(c2ccccc2)c2nc3ccccc3s2)cc1 3172295 LFELAGPSMNMTOT-AREMUKBSSA-N 393.448 5.728 50 40 GKGB Cn1c(/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc21 4888836 IRSOKJNITAIOGY-JLHYYAGUSA-N 394.261 6.204 50 40 GKGB N#C/C(=C\C(Br)=C/c1ccccc1)c1nc(-c2ccccc2)cs1 25608006 AIUDKQVJJQVCKE-VQVMMYKWSA-N 393.309 6.153 50 40 GKGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 58871655 VIKHGRLGPOUDPH-OVVQPSECSA-N 394.474 5.112 50 40 GKGB CCCCCCCCOc1ccccc1C(=O)NNC(=O)c1cc(C)ccc1C 68569051 SAPKYHBVDJHAML-UHFFFAOYSA-N 396.531 5.118 50 40 GKGB biogenic CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C 223573581 FNPJHPYHQZTBBV-MMDHUZEPSA-N 381.495 5.010 50 40 GKGB CCOc1ccc(NC(=O)N/N=C/c2cc(C(C)C)c(OCC)cc2C)cc1 408858376 RUBQTQGHFBZPJW-OEAKJJBVSA-N 383.492 5.071 50 40 GKGB ClCCN(CCCl)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 722222 HWWKSWLIWUVSEG-INIZCTEOSA-N 386.775 5.868 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(OC)c1 5601039 HQGKMGIQLVCCFQ-LDADJPATSA-N 378.472 5.027 50 40 GKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 6388230 FTQLNLPGLBMIJN-RCCKNPSSSA-N 387.552 6.548 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc(Cl)c2)cc1OC 33684487 BNCYSZBYYMIHPN-TUTDSIAXSA-N 376.283 6.243 50 40 GKGB O=C(N/N=C\C=C\c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 35002844 NTVMGWLTXDUHLN-ZHERBLJJSA-N 377.447 5.331 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 57838111 PVMCIKWMMQFBQE-LTXUPPABSA-N 386.495 5.097 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)c1 59137145 NALNNXROBJRDSI-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB ClC[C@@H]1[C@H](CCl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100897729 FUZORIOHZSVKAW-KJQSODDZSA-N 397.771 5.542 50 40 GKGB in-vitro Cc1ccc(N2P(N(C)C)N(c3ccc(C)cc3)P2(=O)N(C)C)cc1 104160582 OUASFUGIXOAXAO-UHFFFAOYSA-N 376.381 5.088 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1O 1114370 BBVYEVZXTIABCR-NTUHNPAUSA-N 378.653 5.271 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C/[C@@H](C)c2ccccc2)nc1-c1ccc(C)cc1 2377237 HMLPXJRHMDCKHB-RBYWHNRPSA-N 387.508 5.788 50 40 GKGB COc1ccc2c(-c3ccccc3)c(C(=O)NNc3cccc(Cl)c3)oc2c1 65631643 YAEJQWQDGKKMMN-UHFFFAOYSA-N 392.842 5.519 50 40 GKGB COc1ccc([C@H]2CCCCN(C(=O)CCCC[C@H]3CCSS3)C2)cc1 206885395 SBQKXCNYEREHNZ-ICSRJNTNSA-N 393.618 5.505 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(F)cc1 408768559 HCKNJIFSMSWNFZ-CVKSISIWSA-N 385.442 5.150 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C 408804005 BROBFGNDMMLRRA-VJOCHBMWSA-N 376.500 5.230 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(C)c(Cl)c1 409019576 JUVLVXRAVSBMIG-AQTBWJFISA-N 389.886 5.547 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 1190884 JWPSVROXVXXIQC-STZFKDTASA-N 399.494 5.265 50 40 GKGB Cc1ccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 1322016 ZADZJTWAXQCVTQ-UHFFFAOYSA-N 388.858 5.016 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)c(C)c1 3188267 MNYKPIKCHXVBDB-DEDYPNTBSA-N 387.458 5.396 50 40 GKGB CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 4148684 ZYFULDWQFFBKOX-XMHGGMMESA-N 395.487 6.142 50 40 GKGB CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@@]1(C)[C@H]2Br 4185011 OSCXACVZPRKXIO-UHOFOFEASA-N 391.136 5.522 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\c3cccc(Br)c3)n2)cc1 6441581 YSVYWUWRRBOYLA-DHDCSXOGSA-N 397.297 5.645 50 40 GKGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1c(Cl)cccc1Cl 13040930 POEIDIOBXPFKSU-JBQYMGEESA-N 388.210 5.003 50 40 GKGB Cc1nc(-c2ccc(CNC(=O)CCCC[C@H]3CCSS3)s2)cs1 25396094 RNLJOTVPMGPVKL-ZDUSSCGKSA-N 398.644 5.510 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OC(C)C)c(Br)c3)[nH]c2c1 34771885 WUGVAMJEGLGDIE-DHDCSXOGSA-N 396.288 5.485 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc21 208435667 NSMIOAWCZLMBMN-WGOQTCKBSA-N 383.495 5.235 50 40 GKGB CC(C)c1ccc2oc(-c3cc(NC(=O)CSC#N)ccc3Cl)nc2c1 226328638 WDXYNGUVANYJNS-UHFFFAOYSA-N 385.876 5.424 50 40 GKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc2ccccc2c1 3150209 VPSAOFMRNRBBAV-YZSQISJMSA-N 380.447 5.036 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c[nH]c4ccccc34)[C@H]2C1 4149909 PTXNBFKYVVSJJY-FXCLAUTBSA-N 395.510 5.034 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 6339289 HEIBJXZOIFUXQW-RVDMUPIBSA-N 395.212 5.681 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(Br)cc3)n2)cc1C 6478054 UGCRIKRPGONQDA-YVLHZVERSA-N 395.325 6.254 50 40 GKGB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1C(Br)Br 103535157 YBSZEPQFGUPLGN-UHFFFAOYSA-N 389.890 5.050 50 40 GKGB Cc1cc(NC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)ccc1Br 408904841 PJMITERVBMQMNJ-MTJSOVHGSA-N 388.309 5.211 50 40 GKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C(C)C)c(OC)cc3C)cc2c1 409186871 IWZDTBIYQZHFMC-CFRMEGHHSA-N 394.471 5.036 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)NC1CCCCC1 4524303 PZXWMAUCTVQSSA-UYRXBGFRSA-N 394.902 5.275 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1F 33632934 OXFQORWXEHVHAQ-ATVHPVEESA-N 398.264 6.776 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)c1 408760823 GIMLBUHSCGRDHQ-MOSHPQCFSA-N 380.413 6.486 50 40 GKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1 408801736 VMCOGBDNOBIBKG-LFIBNONCSA-N 385.854 5.829 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)c1cccc(F)c1 409392069 KPVVZESGXDLVON-IWIPYMOSSA-N 379.434 6.622 50 40 GKGB O=C(Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(Cl)Cl 1710720 AQHSBRBGQJVWAT-UHFFFAOYSA-N 376.281 5.696 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)C(C)C 4979504 VJHZTZYPRGJRBJ-LFVJCYFKSA-N 377.513 5.289 50 40 GKGB CCc1ccc(-c2cc(C(=O)N/N=C(/C)C(C)C)c3cccc(Cl)c3n2)cc1 17080500 WPGOWCKCKUBHSM-YSMPRRRNSA-N 393.918 5.879 50 40 GKGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(C)c1OCc1ccccn1 32075182 JTONURGCXXUTNO-CPNJWEJPSA-N 380.451 5.218 50 40 GKGB Cc1ccc(Cn2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 35386985 NOPKSDYEHPZHAL-STZFKDTASA-N 393.446 5.970 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)cc1 59296903 LCRYQWKWTAUQND-XQNSMLJCSA-N 396.490 5.682 50 40 GKGB ClCCN(CCCl)c1ccc(/C=N\CCc2c[nH]c3ccccc23)cc1 104388745 IDWOYBDNESEHQH-IWIPYMOSSA-N 388.342 5.114 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2)cc1 408569113 YUWJVICFDBJHKW-UNOMPAQXSA-N 383.426 5.654 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cc2)c1 408810133 SYQUPOHJGURDAS-WEKPXBEKSA-N 396.490 5.358 50 40 GKGB CC(C)CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 5214613 SDNNXZKUNXYTCF-RVDMUPIBSA-N 388.261 5.205 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)cc1 5740455 RZLAGLCCCYSYMB-CVKSISIWSA-N 397.478 5.025 50 40 GKGB N#C/C(=C\Nc1cccc(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 6863025 IASXXEYIVZRBSK-UKTHLTGXSA-N 381.844 5.169 50 40 GKGB CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 7348025 WIGVYEZOWANAEI-SFQUDFHCSA-N 390.468 5.818 50 40 GKGB CC/C(=C(/C#N)c1ccc(Cl)cc1)c1ccc(OCCN(CC)CC)cc1 17002510 JDZVHLCGXYUXLP-GHVJWSGMSA-N 382.935 5.905 50 40 GKGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 100182351 WTHGNZFUARPIKT-AUUIUISBSA-N 396.918 5.195 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccc3ccccc3c2)c1C 408549434 STNRNPZTUQBDQW-QQXSKIMKSA-N 376.503 6.928 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Cl)cc1 408581463 XBAPDDOIJFOMGQ-UDWIEESQSA-N 394.301 6.945 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 409391011 GTEGBBMPWAZLEH-UYRXBGFRSA-N 381.435 5.215 50 40 GKGB CCc1ccc(-c2nc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)sc2CC)cc1 4957123 PMRMFEYMXIKTJI-QGOAFFKASA-N 389.480 5.907 50 40 GKGB N#C/C(=C/c1ccccc1OCCOc1ccccc1)c1cccc2ccccc12 6496001 VUONDQBFUKAAQR-NMWGTECJSA-N 391.470 6.362 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc(Cl)cc1 15013766 WDOGTOVUVLUALS-NTEUORMPSA-N 384.218 6.016 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 17186305 MZKCOSREQLCKPU-UCNNPTNUSA-N 389.436 5.347 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCC 209488046 QLLRFHWZTVDCBI-LICLKQGHSA-N 386.289 5.619 50 40 GKGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)cc1Cl 252503555 VFDXQCZTLLOTLT-LFIBNONCSA-N 392.842 5.463 50 40 GKGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 408883378 QXEOOTKFAPKUPY-LZYBPNLTSA-N 399.288 5.010 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc([N+](=O)[O-])cc1 409202403 SJDSIHSYPZHKGZ-BKUYFWCQSA-N 381.391 5.110 50 40 GKGB O=C(c1ccccc1)[C@@H](Br)[C@@H](C(=O)c1ccccc1)c1ccccc1 1759444 HYUAUXQISNIYJN-PMACEKPBSA-N 393.280 5.300 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)cc(C)c3)n2)cc1 2287568 QTAMOMKPIVTVKM-QGOAFFKASA-N 375.497 5.802 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1 2632519 SLRLGOANROADHE-LTGZKZEYSA-N 382.463 6.148 50 40 GKGB Cc1cc(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cccc(C)c2n1 5006979 IHIXECUBNXIDOL-ZMOGYAJESA-N 391.540 5.217 50 40 GKGB O=C(COc1ccc2ccccc2c1)NNc1c2ccccc2nc2ccccc12 31817363 HODAUZQOWYGBSR-UHFFFAOYSA-N 393.446 5.063 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 408587116 QHZDUGNKOCECMV-ZROIWOOFSA-N 399.233 6.534 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1cccc2ccccc12 409366760 YALVBDMLSWGYAT-JLPGSUDCSA-N 391.470 6.492 50 40 GKGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 5739032 RRYCYXZCFJGXHV-ZXCVBSDHSA-N 386.282 5.097 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3nc4ccccc4s3)cc2)cc1 33786933 FCIHMSAIVJTKHL-ZHZULCJRSA-N 382.488 6.248 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c1 58823032 SKWRBEVPWDLHRK-RCCKNPSSSA-N 391.474 5.544 50 40 GKGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 59473123 URMSNSCQDFWSMQ-FVQJWRHTSA-N 388.964 5.659 50 40 GKGB O=C(N/N=C\c1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 83296150 GFIUZXUCABIKFZ-MYYYXRDXSA-N 385.854 5.319 50 40 GKGB N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1ccccc1Cl 408871557 YYXCSXIYKLIUFN-XMHGGMMESA-N 390.845 5.616 50 40 GKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408894898 KZNJWRLSMGOFAN-OBGWFSINSA-N 382.891 5.845 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)c1 409220066 UADCJTHFIYXZOP-WSDLNYQXSA-N 397.272 5.090 50 40 GKGB COc1cc(N(CCCl)CCCl)ccc1/C=N/c1cccc(Cl)c1 1680312 VTLCORLACDJXDW-LPYMAVHISA-N 385.722 5.383 50 40 GKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc2c3c(cccc13)CC2 2070381 XVENOVQECBSBMM-ZVHZXABRSA-N 394.927 5.224 50 40 GKGB COc1cccc(N2C(C)=CC(=C(C#N)c3nc4ccccc4s3)C=C2C)c1 3170569 VXFZERCGNONAPL-UHFFFAOYSA-N 385.492 5.910 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1OCc1ccccc1 4070470 DTBBAVPWVGNHGK-ODLFYWEKSA-N 388.492 5.672 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cccc(Br)c2)cc1 5632595 VQHKECBRQISIAS-ICXVXVOZSA-N 399.332 5.000 50 40 GKGB O=C(c1ccc(Br)cc1C(F)(F)F)[C@H](Cl)c1ccccc1 229510769 WQSZKOMNSSMKOX-CYBMUJFWSA-N 377.587 5.631 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(F)c3)cc2[C@H](C)CC1(C)C 260568266 NYZVCILMSZOWIL-FRQJIFLKSA-N 381.495 5.090 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)cc1 408566868 BEYJDQKCOCQGKN-UVTDQMKNSA-N 375.428 5.819 50 40 GKGB ClC[C@H](Cl)CCCCCCCC[C@H](Cl)CC(Cl)(Cl)Cl 2539149 HAWCFLYPEAVOKJ-NWDGAFQWSA-N 391.037 7.321 50 40 GKGB in-vitro O=C(CCl)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 3885286 CHKHGJBMVRVZGK-IJSVIJOASA-N 376.934 5.171 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1F 4135173 MATMOJITHYBYFF-CPNJWEJPSA-N 391.515 6.433 50 40 GKGB CC1CCC(=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)CC1 5950599 MNRXGZFXZHNCOO-UHFFFAOYSA-N 399.538 6.321 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1ccc(Cl)cc1 408853244 QFLKXOXFHVGJCT-QINSGFPZSA-N 383.676 5.957 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c(C)c1 409007692 QHEGNQMVUABTQO-OEAKJJBVSA-N 397.522 5.874 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1nc2ccccc2[nH]1 4738897 WLALVARSGCZFGQ-LCYFTJDESA-N 389.798 5.239 50 40 GKGB N#CS[C@@H](CC(=O)c1ccccc1)[C@@H](Nc1ccc(F)cc1)c1ccccc1 5604234 RDCOHIZNJNPQHY-GOTSBHOMSA-N 390.483 5.835 50 40 GKGB N#CC(=C1C=CC(=NOC(=O)Nc2cccc3ccccc23)C=C1)c1ccccc1 5734757 NQXZGKIEOOZPQP-UHFFFAOYSA-N 391.430 5.848 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 6410728 QKJZNPUWOWHYPO-KGENOOAVSA-N 398.462 5.128 50 40 GKGB N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 7347999 XDUJGAFWLCFOCB-SDNWHVSQSA-N 389.411 5.032 50 40 GKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)cc1 252489703 JXNRDADYPCOYAG-LFIBNONCSA-N 392.405 5.894 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2ccccc2c1 408599532 VUTPOMHIIGDINR-WGOQTCKBSA-N 382.463 5.544 50 40 GKGB N#CCC[C@H]1CCCC/C1=N\NC(=O)CSCc1ccc2ccccc2c1 408725797 IAZVHGNICAVNSH-HRMOWSKASA-N 379.529 5.039 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1F 408817194 VIESSBCAQHNVOP-AQTBWJFISA-N 390.389 5.089 50 40 GKGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408877026 SHYPWCYHFHJFAE-AWNIVKPZSA-N 394.780 5.303 50 40 GKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408880320 HHLSHDQQXPSBNP-NBVRZTHBSA-N 382.891 5.845 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc2ccccc2c1 1410900 JTWXYFGOZIYFPC-LTGZKZEYSA-N 392.458 5.937 50 40 GKGB CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4135145 MPEGWDWDOLWWSZ-MHWRWJLKSA-N 380.856 5.453 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc(-c2ccccc2)cc1 5604510 FFCRAUZKGBVYQE-UHFFFAOYSA-N 376.544 6.744 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Sc2ccccc2)o1 100200431 KBJICYATLOROJW-YVLHZVERSA-N 396.475 5.439 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2[C@H](C)CC1(C)C 208313177 NQPYPOUSYTYSLH-LZAZYHHXSA-N 387.527 5.022 50 40 GKGB Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4815298 JSIGLAPTMGTLPB-ZROIWOOFSA-N 395.871 5.477 50 40 GKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 5379913 NQPWVNJJPPOCBX-ZVHZXABRSA-N 380.875 5.661 50 40 GKGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c2c1 5744861 AYBQSJUJCFRBSP-LDADJPATSA-N 386.451 5.020 50 40 GKGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1ccc(Cl)cc1Cl 6043977 GIEGUAXAIJXPNZ-DHDCSXOGSA-N 375.274 6.105 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 6410516 SHGXRRUIXQECEL-KMYAOZERSA-N 382.463 5.050 50 40 GKGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9201256 YAVVXAOYZJXCMB-CVKSISIWSA-N 381.479 5.070 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 33599480 HSTRYKWYBBJJRW-PTNGSMBKSA-N 394.228 5.212 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3Cl)n2)cc1 100839853 LCEQUDYCHHQUNX-UVTDQMKNSA-N 386.307 6.402 50 40 GKGB CC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C(=O)CCC[C@@]21C 199574383 SSBPDZGZFAVZPC-VMIIQTFKSA-N 394.716 7.379 50 40 GKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 408581270 VRRJREOSPYPPMK-XDHOZWIPSA-N 380.274 6.637 50 40 GKGB COc1ccc(CNC(=O)/C(C#N)=C\c2c3ccccc3cc3ccccc23)cc1 408814935 QSXWTMVTFARKTN-QNGOZBTKSA-N 392.458 5.225 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1C 408818353 VGAAMBLPMUQZSD-DEDYPNTBSA-N 387.458 5.396 50 40 GKGB Cc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1Cl 409008982 AWOLHADKSPXNOZ-UUYOSTAYSA-N 387.270 5.248 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccccc1C#N 409390711 GRGMTGLFCXTMSW-NHDPSOOVSA-N 384.410 5.349 50 40 GKGB CCCCCCCCCCC(CBr)CCCCCCCCCC 2237365261 JMCAGDFICOEVJC-UHFFFAOYSA-N 389.506 9.059 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)c(C)c1 2176197 FKGPOJKCJSYSGD-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1F 6218200 BHJXKPSJZFPYON-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)c1cccc2ccccc12 6496563 UOCSTEHPBRPVOW-XNTDXEJSSA-N 379.213 5.575 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1F 33525368 TUBLUJIAYBFWDI-BOPFTXTBSA-N 398.264 6.776 50 40 GKGB Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1 408820283 WMLAMKZGJKPKJQ-MOSHPQCFSA-N 387.458 5.396 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 408870056 URRVWHSODVGLQL-PCLIKHOPSA-N 394.518 6.057 50 40 GKGB N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@@H]1c1cccs1 409133571 MIZUOONTXFRHJZ-KRWDZBQOSA-N 376.506 5.173 50 40 GKGB C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)[C@H]1C[C@H]1c1ccccc1 585145964 ROFUXMCDMXGKFY-ZWNWYESHSA-N 375.497 5.028 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C/[C@@H](C)c2ccccc2)nc1-c1ccccc1 2346334 GRGHKBFVLPFRHW-NISQSXRWSA-N 387.508 5.869 50 40 GKGB C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccccc1Cl 4674745 ZEUMXHHRVHXMSL-PCLIKHOPSA-N 389.886 5.378 50 40 GKGB O=C(NN/C(=N/c1ccc(Cl)cc1)SCc1ccccc1)c1ccccc1 15931821 FYJLCOJLUPLPPW-UHFFFAOYSA-N 395.915 5.196 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc2ccc(F)cc2[nH]1 408566864 IRWQTRUCOSJLQV-DHZHZOJOSA-N 398.224 6.333 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccc(Cl)c(Cl)c1 408587745 UGIRWLSJEITRPX-DHDCSXOGSA-N 384.218 6.016 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(F)c(Cl)c1 408809081 HROILOLMYFETHH-MFOYZWKCSA-N 385.269 6.604 50 40 GKGB C=CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 408985416 WTCIOBBEPKXCIE-WJDWOHSUSA-N 375.859 5.335 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)c1 4723198 GVTZBNPQDHRVLF-VBKFSLOCSA-N 392.842 5.544 50 40 GKGB CCCCCCCCCN1C=C/C(=C\C=C(/C#N)C(=O)OCC)c2ccccc21 100167771 UOMMPPMHZFAFHE-YHARCJFQSA-N 392.543 6.167 50 40 GKGB CC[C@@H](C)n1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c2ccccc21 101684418 LNPVYPORQLMGPK-SAGYFLTASA-N 393.494 5.621 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)c1C 408806512 JMFITAOCRRKKAZ-DONDKABMSA-N 389.543 5.313 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1C(C)C 408851896 BHIDGBGBXSJHFE-LICLKQGHSA-N 382.891 5.716 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1C 408968527 WSIGZPXWXAWFNQ-ZHZULCJRSA-N 387.458 5.341 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)c1ccccc1 409074222 SNIILFQQNSXCHN-UDWIEESQSA-N 389.838 5.681 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 409393339 QIOIDAOBQUWUQD-WQRHYEAKSA-N 398.264 6.776 50 40 GKGB Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)c2n1 1297736 VLKMBBWUOVXCJU-SFQUDFHCSA-N 386.455 5.782 50 40 GKGB CC(C)n1cc(C(C)(C)C)nc1SSc1nc(C(C)(C)C)cn1C(C)C 1575068 UACGDGTZNFKYQI-UHFFFAOYSA-N 394.654 6.636 50 40 GKGB N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1 4063800 WSPXDGCQUCCGAD-GHRIWEEISA-N 387.895 6.593 50 40 GKGB COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 4070476 CYOROANDZSQJJF-DHDCSXOGSA-N 382.872 5.545 50 40 GKGB CC(C)Oc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1Br 6307283 VVIBTQBFMYJOMU-LDADJPATSA-N 392.296 6.454 50 40 GKGB CC(/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)=C\c1ccco1 13382273 KJRSOBPNPHVCBC-HKGZSDAISA-N 381.435 5.314 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc2ccccc2c1 33776848 RMEWZZGHFQVTDU-OYKKKHCWSA-N 392.458 6.010 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1 33915822 ABMMZYVBTHXMDL-MOSHPQCFSA-N 386.455 5.133 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(C)C)cc3)n2)cc1 4007418 BTYZPESHAFVEBD-QGOAFFKASA-N 375.497 5.339 50 40 GKGB O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccccc1 4673305 AZPCUTDWVIJTIK-QTANEOQUSA-N 378.819 5.225 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2ccccc2o1 4739147 MMTIIYZSQUCODM-FOKLQQMPSA-N 399.233 5.764 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 33620310 MKCKPMKSVSGPIS-FYJGNVAPSA-N 398.918 7.195 50 40 GKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)c1 408785483 ZODPNVITLHZONX-ATVHPVEESA-N 390.414 5.419 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408802418 DWFPUAMGOAXKMD-SAPNQHFASA-N 386.838 5.051 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c3ccccc3c(C)c3ccccc23)cc1C 408998220 ILEWHWOWFYXZQC-HKWRFOASSA-N 390.486 6.464 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OC 409067292 OUWLHFBMGRWUPC-SFQUDFHCSA-N 396.874 5.021 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 4723208 BRPLBXAJEFWXLN-QINSGFPZSA-N 378.815 5.154 50 40 GKGB C/C(=N/NC(=O)CCCNc1ccc(C)cc1)c1ccc(Cl)cc1Cl 5008390 HLVJZRKUTQBQIG-UCQKPKSFSA-N 378.303 5.034 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1C1CCCCC1 15012236 TWVCCWFQUUQEPV-HAHDFKILSA-N 397.522 6.309 50 40 GKGB C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccc(C2CCCCC2)cc1 17078920 GFQVNKCUPZHFRW-YZSQISJMSA-N 386.495 5.747 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 34913630 JFMGOWIVHMERQD-RIYZIHGNSA-N 397.843 5.444 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408758572 MWIYQJTYFAHPAQ-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc1Cl 409013768 VGZOUESBWWTAHD-CJMVGXJBSA-N 382.891 5.680 50 40 GKGB CCCCCC1CCC(C(=O)N/N=C/c2ccc(Oc3ncccn3)cc2)CC1 4088923 ZPOHZGSIEMJQHD-YZSQISJMSA-N 394.519 5.106 50 40 GKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)c2ccc(C)cc2)cc1 6476490 OCJRPDPWZUHCFQ-KOEQRZSOSA-N 389.498 7.100 50 40 GKGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 20248485 ISGKAIDNWDEMIW-HZHRSRAPSA-N 388.964 5.660 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1 59281825 LOQMBZKVNIEHLL-CJLVFECKSA-N 382.463 5.374 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c2ccccc12 408804098 VTMRNPOOKUWVRH-FOWTUZBSSA-N 376.843 5.356 50 40 GKGB CCc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 4957134 OVIGFQQQWHSVFK-RVDMUPIBSA-N 385.319 6.743 50 40 GKGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccc2ccccc12 17206748 NYYAVUXPNWQJIG-YDZHTSKRSA-N 387.266 5.066 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(C(=O)O)cc1 107565503 CIYDAWIGKRZZIA-GXDHUFHOSA-N 384.218 6.016 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 408580329 OKHNNNOXPVGEGY-YBFXNURJSA-N 393.845 6.131 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2c(c1)OCO2 409364644 OGEJRPWBOCVDFW-DHDCSXOGSA-N 383.325 5.758 50 40 GKGB COc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 2316614 ZPDLFODTMHTKHU-XMHGGMMESA-N 389.524 5.994 50 40 GKGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1Cl 35326328 KSMXLLPDNCAMCJ-SFHVURJKSA-N 388.298 5.058 50 40 GKGB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)[C@@H](Cl)c1ccccc1 41091567 UFJMZKHCZKLKNC-SFHVURJKSA-N 377.831 5.117 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 59335131 FFJVXYKXLCLPRS-HAHDFKILSA-N 397.522 6.072 50 40 GKGB N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccc(O)cc1 408870856 XSPLGWYGNKPASU-XMHGGMMESA-N 388.854 5.182 50 40 GKGB Cc1c(Br)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl 1083812928 NMBZQSBUWADMFY-UHFFFAOYSA-N 377.826 6.965 50 40 GKGB O=[N+]([O-])c1ccc(S[C@@H]2CCCCCC[C@@H]2Br)c([N+](=O)[O-])c1 1638424 YVKZGGMTGLRVBA-WCQYABFASA-N 389.271 5.081 50 40 GKGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 2292150 XFQBHVLVWCAJLD-XNTDXEJSSA-N 399.277 5.466 50 40 GKGB N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2ccc(F)cc2)cs1 2317927 OCGAMYFJRYDARL-RVDMUPIBSA-N 389.411 5.032 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Cl 4545769 TYXKORWEAFLZIF-LZCVXGSNSA-N 380.875 5.434 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1 59266524 JIMKGINOCPLQOS-LVZFUZTISA-N 392.499 5.590 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cccnc2)cc1 103007410 YMXWAKLVFWGMFR-NCELDCMTSA-N 381.520 5.365 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 409006240 IGBCQVVZSFIVSB-OEAKJJBVSA-N 397.522 5.874 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc([N+](=O)[O-])cc1 409202717 UIDKJJSAHUFECN-PTNGSMBKSA-N 384.313 5.938 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccco3)c3ccccc3n2)cc1C 2109735 MYULHDUTOAMCPM-ZMSVTBESSA-N 395.462 5.541 50 40 GKGB N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2ccc3ccccc3c2)cs1 5022686 UEHGRACTEUFTHD-ATVHPVEESA-N 389.430 6.218 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1c(Cl)cccc1Cl 6209910 UWKHRGRLYDFVTL-UXBLZVDNSA-N 386.065 5.846 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(F)cc1 59137063 LVDJHQBPPFLTMD-PDGQHHTCSA-N 384.376 6.316 50 40 GKGB C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)C)C[C@H]2C[C@@H]1[C@@H](C)C2(C)C 100756579 OBEDIMGIHQHZOK-NWFVXXGESA-N 376.537 5.075 50 40 GKGB COc1cc(C(=O)Cl)cc(Cl)c1OCc1cccc(Br)c1 226327566 QQMZMCRMBNRKQS-UHFFFAOYSA-N 390.060 5.069 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)c1 408763353 NAZJNRXAAFTPCQ-WPWMEQJKSA-N 395.506 5.249 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c(C)c1 409245358 RNYXDIKNKUCEAK-ORQKMDSUSA-N 397.522 5.495 50 40 GKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1C 2278343 OUXIXOVWUYYWFZ-STZFKDTASA-N 387.552 6.602 50 40 GKGB Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCl)c2c1CCC2 2381212 TXYWRAWPGIYDFX-UHFFFAOYSA-N 383.797 5.472 50 40 GKGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 4591943 GREQOCFFERVXJE-OQLLNIDSSA-N 376.239 5.042 50 40 GKGB N#CC(C#N)=C/C=C(\Sc1ccc(F)cc1Cl)c1ccc(Cl)cc1 5569155 IPOZZDWMWVRBCD-IDUWFGFVSA-N 375.255 6.239 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c[nH]c4ccccc34)[C@H]2C1 15218242 PTXNBFKYVVSJJY-QRFQSNJMSA-N 395.510 5.034 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1cccc(C)c1C 33731713 UYMOUBYFWBJYFE-WGOQTCKBSA-N 397.478 5.020 50 40 GKGB CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 59336051 ALGIGZGRTGTTDN-GDNBJRDFSA-N 389.282 5.574 50 40 GKGB Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1CCl 102237691 OGIQXQYBCAKQBD-UHFFFAOYSA-N 396.854 5.505 50 40 GKGB in-vitro Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1cccc2ccccc12 408541358 GBFRSYMUVLGART-HAHDFKILSA-N 392.458 6.010 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2cccc(C)c2)c1 408803192 MGRRETJGRVCTIE-KGENOOAVSA-N 398.462 5.128 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)o2)cc1 408844298 BZGAYBAGKHHPPF-AQTBWJFISA-N 388.492 5.902 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 408980750 XCFDSHUUSHLLQG-RIYZIHGNSA-N 386.238 5.314 50 40 GKGB CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 4063660 KJUYZZJPGIARKN-QGOAFFKASA-N 375.497 5.802 50 40 GKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4063722 GADZVLUUZACJCU-FOWTUZBSSA-N 376.441 5.257 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OCC)ccc3ccccc23)cc1 4722813 KUGSHNLMJSFPRD-SDXDJHTJSA-N 386.451 5.183 50 40 GKGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 5322068 RTANWGAQCVIDFP-IBGZPJMESA-N 388.298 5.058 50 40 GKGB CNCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1 33650458 WKJKBQYEFAFHCY-IZHYLOQSSA-N 391.942 5.873 50 40 GKGB world O=C(Cl)/C=C/c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226334657 YDSXEIZLXPTVLD-FNORWQNLSA-N 386.072 5.460 50 40 GKGB CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc12 2304184 JVAHMVHJPSBKHB-DHRITJCHSA-N 386.373 5.021 50 40 GKGB C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 4024595 MQKDJZNKVQJXEX-BNONEXONSA-N 387.612 6.336 50 40 GKGB biogenic CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1O 4175004 JYVXQBHGVUVDRX-VCHYOVAHSA-N 376.481 5.595 50 40 GKGB COc1cccc(/C=C(\C#N)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)c1 6788243 YXVGOTVQGITEFY-HMMYKYKNSA-N 392.458 5.644 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(Cl)c1OC(C)C 23043043 OZVSOJSVADCIPQ-OQLLNIDSSA-N 381.863 5.087 50 40 GKGB CCCCCCCCOc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 100035656 LDSCVOWENUKXHO-HAVVHWLPSA-N 397.475 5.098 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 408599448 HKLVITYPWHMAHR-WGOQTCKBSA-N 388.511 5.688 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(Cl)c1 408722614 MFFKZSYKFHWPCN-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1C(C)C 408735666 VWXDLJBFDOEOIU-RQZCQDPDSA-N 382.891 5.635 50 40 GKGB O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccnc1 3504064 ZFNAZIQXSJGEPZ-OVVQPSECSA-N 392.462 5.315 50 40 GKGB COc1ccc(CSCC(=O)NN=C2CCCCCCCCCCC2)cc1 4482132 GKUJOSCNZHKJIF-UHFFFAOYSA-N 390.593 5.705 50 40 GKGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 5739243 VQZISHGSXRAFSD-GHONEHJGSA-N 386.282 5.097 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1 408753401 MLLJQSVVULMYJH-OWBHPGMISA-N 380.856 5.630 50 40 GKGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 408883499 UWLFFKAYOWGKFZ-RCCKNPSSSA-N 398.462 5.210 50 40 GKGB C#CCOc1c(CC=C)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1OCC 409073056 OOTVWXIGODSQDK-XMHGGMMESA-N 384.435 5.031 50 40 GKGB C=C[C@H]1CC[C@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1 2171432768 HLHMSIHQKMDRHU-RQNOJGIXSA-N 385.511 5.973 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NC1CCCCC1 862399 LXRLUZBXKIHVNN-NTCAYCPXSA-N 399.288 5.065 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(C)C 59292021 CKTCNVDEUCKNMK-OQLLNIDSSA-N 389.282 5.635 50 40 GKGB Cc1ccc(F)c(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)c1 100933904 BNYJROZDMSNFPI-LGMDPLHJSA-N 385.467 6.387 50 40 GKGB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](OC(=O)CBr)CC[C@]3(C)[C@H]1CC2 118925357 VJRJIJYWEUTVEU-KPKYYQPRSA-N 395.381 5.646 50 40 GKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl 408803827 AVOZKVAFVGBFNW-YRNVUSSQSA-N 381.646 5.201 50 40 GKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccccc1 409049796 XKUWSEBTIPMZFS-YBFXNURJSA-N 380.274 6.637 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 6221027 CAXMJSOXYBYDHI-LCYFTJDESA-N 385.206 6.226 50 40 GKGB CCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 7348016 DMVQJBMSSTWIME-LGMDPLHJSA-N 391.496 5.366 50 40 GKGB CC1(C)[C@H](Br)C(=O)C[C@]2(C)[C@@H]3CC[C@@]4(C)CCC[C@@H]4[C@@H]3CC[C@@H]12 25544744 ZPVSFFKADISUJX-RUVIIKFWSA-N 381.398 5.998 50 40 GKGB CC(/C=N\NC(=O)c1cc(C2CC2)nc2ccccc12)=C\c1ccc(C(C)C)cc1 33861837 FETYVQWYLDKKEU-DLLIHPKWSA-N 397.522 6.055 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Br)cc1 408580746 ROCGLCLDWLIYHL-NBVRZTHBSA-N 390.280 6.231 50 40 GKGB C=CCn1c(C)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c2ccccc21 408861341 CFUNOTVFIUGWQN-GHRIWEEISA-N 389.886 5.643 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1 408923895 KYSFDVFLPNDSOU-CJLVFECKSA-N 391.474 5.793 50 40 GKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 5946424 BXKPZVHFOLYSEJ-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1cccs1 6216354 LVPQJLXRVDUYMU-OEAKJJBVSA-N 391.521 5.487 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCc1ccccc1 6410739 AGPGNEGNKGOTOV-KGENOOAVSA-N 398.462 5.128 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc4ccccc34)n2)cc1C 100840009 NSXITLCOKNACSF-ZHZULCJRSA-N 381.504 6.557 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)cc1Cl 408735930 ZMDYCTKNMLPZGS-XDHOZWIPSA-N 389.886 5.602 50 40 GKGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 4505084 WCBKDJSLNGGLKC-UFJFUXFXSA-N 386.539 5.849 50 40 GKGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cccc(Oc2ccccc2)c1 5741139 LLMHEBMCUCQVET-WPWMEQJKSA-N 395.462 5.194 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1cccc(C)c1 6351090 DMBSESKGVOYWIH-STZFKDTASA-N 387.454 6.176 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1cccc(C)c1 13942788 JYSSRQONHPWOBY-HZHRSRAPSA-N 397.474 5.763 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 408580555 CJAXKUCBNGVIND-RCCKNPSSSA-N 398.462 5.085 50 40 GKGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408788849 MMFPQLLKJFMNCU-LICLKQGHSA-N 398.890 5.300 50 40 GKGB CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1 1003415 BFPJGRIMHGELMO-WPWMEQJKSA-N 394.478 5.013 50 40 GKGB N#C/C(=C\c1cc(Br)ccc1F)C(=O)Nc1cccc2ccccc12 2658774 IBNFKNRAUXVOLQ-XNTDXEJSSA-N 395.231 5.287 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C(F)(F)F)c3)n2)cc1 4063745 MASFKFXXBZMQHL-VBKFSLOCSA-N 399.441 6.368 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1ccccc1Cl 4681555 FMMYYWFTOQEKPG-LDADJPATSA-N 397.902 5.840 50 40 GKGB CCCCC[C@H](NNC(=O)c1cccc(Br)c1)c1ccccc1 4719299 UFPLZQLLVQVMOK-SFHVURJKSA-N 375.310 5.005 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc2ccccc12 5683269 FROIVHNQFKSZJV-YZSQISJMSA-N 380.447 5.183 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OCC 5837413 LJENOAPKWIJDES-GHRIWEEISA-N 378.497 5.938 50 40 GKGB CC(C)c1nc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c2ccccn12 98056518 QIPQMPNNLANSHF-JLHYYAGUSA-N 384.266 5.554 50 40 GKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2cccc(Cl)c2)o1 408599274 RNLLZPKWIHPWLF-LDADJPATSA-N 385.854 6.158 50 40 GKGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3)c3ccccc32)cc1 408745359 MFCBBTANOIEMEJ-QNGOZBTKSA-N 391.474 5.544 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccc(-c2ccccc2)cc1 408778674 WEYLFEVNOCRWPB-HZHRSRAPSA-N 383.495 5.193 50 40 GKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(Cl)cc3)c2[C@H]1c1ccc2ccccc2c1 664582 NVVOKJWLVANNJJ-IBGZPJMESA-N 398.853 5.101 50 40 GKGB CCOc1cc(/C=C/C#N)cc(Br)c1OCc1ccccc1Cl 6155415 HDGAVZWZRRATMJ-AATRIKPKSA-N 392.680 5.617 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 6329326 DULUVQWXUFUWEC-FSJBWODESA-N 386.282 5.165 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3cccc(Br)c3)n2)cc1 6477758 VDQIAFVFOKBSMV-SXGWCWSVSA-N 381.298 5.945 50 40 GKGB CCCCCCOc1ccc(OCCOc2ccccc2C=C(C#N)C#N)cc1 6655795 UILDQQUHHIMXHB-UHFFFAOYSA-N 390.483 5.534 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3F)n2)cc1OC 13658612 VQDROZLSISMNCN-RAXLEYEMSA-N 399.422 5.082 50 40 GKGB O=C(CSCc1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 20248256 PXINPAIALXAQBZ-MFKUBSTISA-N 384.504 5.377 50 40 GKGB COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 40476951 WRGBBYRONPJGEN-RVDMUPIBSA-N 395.871 5.227 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(F)cc1 59116770 PHECHRSMQMVHPH-QGOAFFKASA-N 390.389 5.089 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)cc1C 408743010 YIWMLDVIJODJFH-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB Cc1cccc(Cn2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 409212761 QXFWUBMVSQCGLU-STZFKDTASA-N 393.446 5.970 50 40 GKGB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1C 664752 JYSOMAOKBXKIIF-FQEVSTJZSA-N 398.510 5.209 50 40 GKGB CCCCCCCCCCCC(=O)N/N=C(\C)c1ccc(Cl)c(Cl)c1 8398712 OYXWKRAICMFUGP-XQNSMLJCSA-N 385.379 6.755 50 40 GKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 15229688 FSFQVIPBMRTUJU-MFKUBSTISA-N 378.447 5.076 50 40 GKGB CCCCCCCCCCC/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100028270 XNYRNTCCMGJOGM-UDWIEESQSA-N 392.456 5.140 50 40 GKGB CCOc1cc(OCC)c(/C=C(/C#N)c2ccccc2F)cc1Br 107563420 ZNPBJUNMUILAKJ-ZROIWOOFSA-N 390.252 5.450 50 40 GKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(Cl)cc1 409124712 LLNYIQCHOBVXET-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 5322029 RTANWGAQCVIDFP-LJQANCHMSA-N 388.298 5.058 50 40 GKGB O=C(c1ccccc1)[C@@H](Cl)[C@H](c1ccccc1)[C@@]1(Cl)CCCCC1=O 13512322 VXYDXULHYXNWKC-IRFCIJBXSA-N 375.295 5.381 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 33339702 MSFTXRQWDRMAKH-VBKFSLOCSA-N 396.368 5.820 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2C(C)=CC1(C)C 208507322 PIWTZIVNLWWKQD-ZVHZXABRSA-N 381.907 5.126 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223542777 LQZYVKYMIUGLKX-BFTFCADCSA-N 377.532 5.260 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1189643 ZDIFDXDYHANINF-STZFKDTASA-N 399.494 5.265 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCCc1ccccc1 4342268 IPONDOSWRIXVNP-HMMYKYKNSA-N 395.462 5.257 50 40 GKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 40948902 MOQOTXKSCJFGFU-GXDHUFHOSA-N 375.255 5.328 50 40 GKGB CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(F)cc1Cl 217711318 WFKILBSALDSDRP-UHFFFAOYSA-N 377.626 5.489 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)Nc3ccccc3)cc21 223478769 YYEVTWBHKMWBHA-IWIPYMOSSA-N 376.504 5.253 50 40 GKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1 408753031 KUJNYAGXPGXOJS-RGEXLXHISA-N 382.419 5.227 50 40 GKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 408811394 QXDQNKKAZGBOGC-RVDMUPIBSA-N 380.806 5.593 50 40 GKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl 408884425 ZBJBYKGFCKFFSS-NTCAYCPXSA-N 389.282 5.718 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C)c(Cl)c2)c(C)c1 409016541 DIJWYYUIKILVAQ-PDGQHHTCSA-N 389.886 5.602 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(F)c2)cc1Cl 409052416 HDIAPXGIVOXDGJ-DHRITJCHSA-N 396.849 5.130 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl 409243748 YAWWSCGQLPEZFB-MCRQTXEHSA-N 389.886 5.224 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1 1190214 QRIDPMPTAHWCGL-RGEXLXHISA-N 377.488 5.164 50 40 GKGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2cccc3ccccc23)cs1 2198219 YAYPXSCUMUVROK-GHRIWEEISA-N 396.475 5.039 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(F)cc1 8812051 UHVCJUFFQRZOQP-JVWAILMASA-N 398.437 5.322 50 40 GKGB CCCCCCCCCCC[C@H](I)CC(F)(F)F 103528337 RLYCIGLMQGWVEV-ZDUSSCGKSA-N 378.260 6.663 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl 108022006 XGHVRISOPSECIQ-WJDWOHSUSA-N 385.269 6.604 50 40 GKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1ccc(Cl)cc1 408861063 LYQQRFRPDYOYCQ-XQNSMLJCSA-N 388.964 5.433 50 40 GKGB N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@H]1c1cccs1 409133573 MIZUOONTXFRHJZ-QGZVFWFLSA-N 376.506 5.173 50 40 GKGB Cc1ccc(-c2cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 863001 KONJAYZJDFTLJH-UHFFFAOYSA-N 384.391 5.338 50 40 GKGB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CNCCCl)c1 1681164 KBWOPIAJIUGGND-RTWAWAEBSA-N 375.940 5.417 50 40 GKGB CCCCOc1ccc(C(=O)N(CCCCl)[C@@H](C#N)c2ccccc2)cc1 2278947 OMLRBWMTZIGRSI-NRFANRHFSA-N 384.907 5.201 50 40 GKGB O=C(COc1cccc(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12 3168907 HUDQEDOQDQZXJY-AFUMVMLFSA-N 388.854 5.176 50 40 GKGB Cc1ccccc1/C=C(/C#N)c1nc(-c2cccc(Br)c2)cs1 4174847 FJKONMWOAJYTQP-SXGWCWSVSA-N 381.298 5.945 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1cccc(F)c1 6453851 PUZVPFIZAFKOQD-WQRHYEAKSA-N 377.390 5.617 50 40 GKGB CC(C)n1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 13108755 NWAQMERUTIZGCT-VULFUBBASA-N 395.462 5.886 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cccc(F)c2)o1 101675869 WMLMJWIXYNLCEE-MFOYZWKCSA-N 382.398 5.094 50 40 GKGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(OCCC)c(Cl)c2)cc1 216068490 UNWOEQKKXGQIMN-HZHRSRAPSA-N 388.895 5.072 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1ccc(C(=O)O)cc1 408544928 YSWQWYYZEIPIGE-VBKFSLOCSA-N 393.240 5.002 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3ccc(Sc4ccc(C)cc4)o3)[nH]c2c1 409393076 UXIXMVXHIDNGQL-PTNGSMBKSA-N 387.464 5.688 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)Nc1ccccc1 59219847 PTYMKWYCFIPSHA-WYMLVPIESA-N 382.341 5.511 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)cc1 408867186 JYSURTAYHGSNFW-CJLVFECKSA-N 384.454 5.525 50 40 GKGB Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 1436396 FLLXEGGKWQBMST-SFHVURJKSA-N 395.915 5.015 50 40 GKGB CC(C)c1ccc(/C=N/NC(=O)Cc2ccc3c4ccccc4n(C)c3c2)cc1 3382808 VMCUZRMNULWSHA-WGOQTCKBSA-N 383.495 5.148 50 40 GKGB O=S(=O)(c1ccccc1)[C@@H]1[C@@H]2c3ccccc3[C@@H](Cl)[C@H]1c1ccccc12 5049066 UJHROKOHZLQDOP-DXBBTUNJSA-N 380.896 5.052 50 40 GKGB N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cn1 22958650 WIEQMJNQYHCCRD-KPKJPENVSA-N 391.805 5.941 50 40 GKGB CCCCCC[C@@H](Br)C[C@@](F)(Cl)C(F)(F)Br 59188657 IVXKUGOCECZHGU-BDAKNGLRSA-N 388.493 6.003 50 40 GKGB COc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408579352 GBDSLNVCCVBRIK-IZZDOVSWSA-N 383.072 5.829 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccccc1 408599248 QVGYFVOBXQWYBI-NDENLUEZSA-N 375.855 5.992 50 40 GKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 4863896 ZENPECSQOTZIOC-LTGZKZEYSA-N 378.479 5.654 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NC1CCCCC1 5749655 FWYNTUWYWPPVLI-GXDHUFHOSA-N 389.282 5.609 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 6410754 RUCNOLOVXHQSHH-XMHGGMMESA-N 378.472 5.118 50 40 GKGB C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 12362500 LRKUSKSJSLUZHH-HZHRSRAPSA-N 393.284 5.270 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cc(Cl)c1O 12863891 PIOYPUMIMNLABM-ONNFQVAWSA-N 377.252 5.381 50 40 GKGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(OCc4cscn4)cc3)c12 58229239 RMZUTPJXVYQZNW-MFOYZWKCSA-N 399.475 5.302 50 40 GKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)o1 408566646 IEYNXSHONRBCNA-UKTHLTGXSA-N 388.358 5.243 50 40 GKGB CCOc1cc(C)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C(C)C 409232173 HFQAPTJTCGQOHO-PKIWBCANSA-N 376.500 5.302 50 40 GKGB CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NC(=O)N1 409371641 IZEIFVQETSEOTQ-IBGZPJMESA-N 395.890 5.097 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 948313 BDBFAKGNLUHCEU-CLXYIWAZSA-N 389.524 5.414 50 40 GKGB CCCCc1ccc2nc(NC(=O)[C@@H](Br)CCCC)sc2c1 20133003 HCSBXMSQNHBZDG-ZDUSSCGKSA-N 383.355 5.531 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1 58822980 VWBWCRBVHFRKFJ-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB Cc1cn2c(/C=C(\C#N)c3ncc(C(F)(F)F)cc3Cl)c(C)nc2s1 98042520 NCQFQGDBSKHMPH-XCVCLJGOSA-N 382.798 5.144 50 40 GKGB CC1=CC(C)=[N+]2C1=C(c1ccc(N=C=S)cc1)c1c(C)cc(C)n1[B-]2(F)F 198042875 DXAAJJOOBZTXQR-UHFFFAOYSA-N 381.260 5.268 50 40 GKGB in-vitro CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 260573437 YOPBTXGWQYVOEL-FRQJIFLKSA-N 397.950 5.605 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)c([N+](=O)[O-])c1 408543536 PTCOCHRSTVJBPX-LFIBNONCSA-N 398.422 5.721 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 408743638 HLJAOURTITZAKA-PDGQHHTCSA-N 390.527 5.841 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 408795204 KOGTWIKPVCQUBW-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB Cc1ccccc1Cn1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)c2ccccc21 409364219 NPGUVHFSAXHLHQ-MTJSOVHGSA-N 392.458 5.791 50 40 GKGB CC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 4148685 JOBPTIBKFPLGBI-STZFKDTASA-N 395.487 6.142 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1 59224670 LNLYRHHIUDUBPX-CJLVFECKSA-N 382.463 5.374 50 40 GKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 59473180 GUJKBCDBIQBCOB-KTMXNEEYSA-N 387.719 5.278 50 40 GKGB CC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 100934997 ZYFULDWQFFBKOX-RGEXLXHISA-N 395.487 6.142 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C(C)C)c(OC)cc2C)c1 408746637 UNJNOQMMDNURRR-WQRHYEAKSA-N 378.472 5.071 50 40 GKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C 408923550 JMLVHUCEFZUIQP-CPNJWEJPSA-N 389.886 5.602 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 4651821 RJQQBYFEZQWQGG-MJIXRDHLSA-N 388.433 5.257 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 7159178 UBBHISWNJAZWIH-FOWTUZBSSA-N 384.863 5.073 50 40 GKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(Cl)=C(C=O)C[C@H]32)C1 267329346 UCTLHLZWKJIXJI-ZWZXKMJASA-N 376.924 5.183 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccc2ccccc2c1 408549805 ZKTHDINVEVSRFL-OYKKKHCWSA-N 379.434 6.622 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408865799 FTJNGPWIDXEBQQ-HGBSZDESSA-N 396.918 5.195 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 858281 JJMCFTGCWUCDMX-PTNGSMBKSA-N 382.341 5.511 50 40 GKGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1082000 NYNQFOXLYUATTI-KPKJPENVSA-N 395.178 5.014 50 40 GKGB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc(C)c(SC#N)cc1C 16268189 CYDHQXAMLLRVGC-YVLHZVERSA-N 396.903 5.249 50 40 GKGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 16439501 PZYMNSROGPKFEY-UXBLZVDNSA-N 386.065 5.846 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1 59432733 GLCBMMQWWDUVEB-XMHGGMMESA-N 388.854 5.465 50 40 GKGB Cc1ccc(/C(=N/NC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)c(C)c1 199417994 ANWOSFLAGPBXFM-SZXQPVLSSA-N 396.412 5.505 50 40 GKGB CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(F)c1 2319543 ASEGUULFQUVZGF-OAQYLSRUSA-N 384.426 5.011 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(Cl)c1 2773913 HELZSAVDOYJAIZ-GXDHUFHOSA-N 393.786 5.054 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3)n2)cc1OC 4063636 VFIHTFQCRIZCKC-FOWTUZBSSA-N 377.469 5.112 50 40 GKGB CC1=C(C/C=C(C)/C=N/NC(=O)c2[nH]c3ccc(F)cc3c2N)C(C)(C)CCC1 4113400 DQQWNXANCLBPOC-SKLBTNMISA-N 396.510 5.468 50 40 GKGB O=C(N/N=C\c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccc(F)cc1 4814026 MYHNCTMWLLCDPM-LTKUWPENSA-N 396.809 5.364 50 40 GKGB Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1 5024876 HYMZXPPANCJBDS-LICLKQGHSA-N 389.480 5.441 50 40 GKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 6209526 HOWQUVLEWBSZIR-LFIBNONCSA-N 399.288 5.092 50 40 GKGB Cn1c(/C=C(\C#N)c2nc3ccccc3s2)ccc1-c1ccc(Cl)cc1 11690319 IDYPLYGGPGSXAF-NTCAYCPXSA-N 375.884 6.019 50 40 GKGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)c1nc2ccccc2[nH]1 16448916 FJEDZDGXKBZVSB-QGOAFFKASA-N 385.854 5.859 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccc(N(C)C)cc3)n2)cc1 33927892 FLROVJZLVJWODC-QNGOZBTKSA-N 387.552 6.283 50 40 GKGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 408985730 YETQTDKWRZHUHC-XGICHPGQSA-N 395.673 5.510 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc2ccccc12 409011799 HTPFLTOWSGAQMO-OVVQPSECSA-N 396.490 5.936 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)CC)c(Cl)c2)cc1 409012204 JQKJHVMFLIXCDL-BRYHAGSVSA-N 382.891 5.625 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3ccc(-c4cc(Cl)ccc4C)o3)[nH]c2c1 409391035 HCOCQIWXYHPVHU-ZROIWOOFSA-N 389.842 5.858 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc2ccccc2[nH]1 5729131 HHBLGPHBSHSHIR-UKTHLTGXSA-N 380.234 6.194 50 40 GKGB CCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C#N)=C(c2ccccc2)N1 20348100 DHKFGJMKLPNFFI-HXUWFJFHSA-N 391.927 5.840 50 40 GKGB N#C/C(=C/c1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 27490375 HRUAGGWJTDMWMP-STZFKDTASA-N 398.918 7.195 50 40 GKGB O=C(NNc1ccccc1)Nc1ccc2sc3nc4ccccc4nc3c2c1 33658665 IZOYJXUVSKDXNF-UHFFFAOYSA-N 385.452 5.146 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc21 223475434 WDJNLDKSXABREZ-MFKUBSTISA-N 375.516 5.169 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCCC 409068296 ABPBQPYYAFRLBA-XSFVSMFZSA-N 390.483 5.067 50 40 GKGB COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1 6478050 PHVWGFIFMJEOFX-ZDLGFXPLSA-N 376.481 5.508 50 40 GKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1 19338267 QPNAJCUPJIYFTG-VULFUBBASA-N 398.384 5.048 50 40 GKGB CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1 33391399 XKEDMMAOSPGVHA-AQTBWJFISA-N 376.481 5.672 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)cc1Cl 33715475 NICUKJDMYKKWOU-WOJGMQOQSA-N 386.886 5.996 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2c1 51092086 MCTONLXMSVEADK-BOPFTXTBSA-N 387.527 6.236 50 40 GKGB N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2c(F)cccc2F)cs1 84559854 WHTOBGSFJVJTRN-NTEUORMPSA-N 390.418 5.543 50 40 GKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc4[nH]c5ccccc5c4c3)cc2c1 409185226 UMWCUFVCUZKGKO-QFEZKATASA-N 397.434 5.230 50 40 GKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2cccc(F)c2)c1C 409392383 LVIQLXGOZHUEMF-ZDLGFXPLSA-N 391.402 5.214 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc([N+](=O)[O-])c3)n2)c(C)c1 1756309 GLBUXDJAHVNNMJ-RVDMUPIBSA-N 376.441 5.312 50 40 GKGB CCc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4063694 KARIOKLBHIXWGV-FOWTUZBSSA-N 376.441 5.257 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(F)cc1 4906954 KDRZCBSWDFRCNA-LFVJCYFKSA-N 378.472 5.272 50 40 GKGB Cc1ccc(C(=O)/C=C2\SS/C(=C\C(=O)c3ccc(C)cc3)S2)cc1 5052023 FQKPINNOUFFAKI-YZLQMOBTSA-N 384.547 6.180 50 40 GKGB CCC1(CC)Cc2ccccc2C(NC(=O)Nc2cccc(OC)c2)=C1C#N 15841459 ZSUORJGCYDJQGI-UHFFFAOYSA-N 375.472 5.114 50 40 GKGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@@H](C2)C3)[C@@H]1CC1(c1ccccc1)c1ccccc1 16477912 FALMDOJBGCVECB-RWHZSPOJSA-N 398.550 5.311 50 40 GKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C3/C[C@H]4CC=C[C@@H]34)cc2)cc1 35612346 GRALOGQPOHSRSM-WAMJTFORSA-N 388.511 5.245 50 40 GKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226334445 UOOCPWAJMHVBAU-XBXARRHUSA-N 386.072 5.460 50 40 GKGB Cc1ccc(COc2cccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2)cc1 408599004 NLONLCQPBBYAEH-KGENOOAVSA-N 397.503 6.107 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl 409220596 BXSDUDNKPXXGHY-PNWWAVQQSA-N 396.918 5.173 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 4851792 ZIZWNWMIXYNXJD-YDZHTSKRSA-N 387.266 5.336 50 40 GKGB CC(C)CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5214611 NFQUERUGPHHXDJ-NTEUORMPSA-N 378.255 5.750 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)cc1 33659983 RWIRBPKIGANXLE-UYRXBGFRSA-N 382.467 5.352 50 40 GKGB O=C(Cl)/C=C/c1cc(Br)ccc1OCc1ccccc1Cl 62715855 VVOKSDHDUGGFMN-VMPITWQZSA-N 386.072 5.460 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl 408791975 FYGWKKGARUPNBV-LFYBBSHMSA-N 395.673 5.510 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 408798596 WDGZPTBIEISEQX-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(C(C)C)cc1 409379512 WXTMFTRPTBTIQI-STZFKDTASA-N 399.494 5.469 50 40 GKGB CC(C)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br 2847231 XCIYULOJPTUCED-OQLLNIDSSA-N 376.681 5.954 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1 4814126 TVMHCBHXKYQWQT-YVNNLAQVSA-N 393.657 5.671 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 5528955 MEXBACICBHAXJN-QLENYVDCSA-N 376.843 5.384 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\C=C\c3ccccc3[N+](=O)[O-])n2)c1 44827419 YGINMSQNCAZELS-ALQDRXFZSA-N 389.436 5.347 50 40 GKGB C/C(=C\CC/C(C)=C/CC/C(C)=C/COCc1ccccc1)CBr 201439082 JEAODJZRJXBJTC-GJLPZIKMSA-N 391.393 6.997 50 40 GKGB in-vitro Cc1cc2c(cc1/C=C(/C#N)c1ccc(F)cc1)[C@H](C)CC(C)(C)N2C(C)C 223597218 UCTMGORBRDCHSU-UZQMFHLOSA-N 376.519 6.699 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 252485071 GNFZWMPALHBPGH-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 408539973 LFBXJULGWYQNDE-ULJHMMPZSA-N 382.504 5.117 50 40 GKGB CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)c2ccccc2)=C(C)N1 4905938 BDTDYIPDESRFKO-LJQANCHMSA-N 380.900 5.282 50 40 GKGB COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 5023800 JXYRCEJROYCVRA-RIYZIHGNSA-N 397.843 5.444 50 40 GKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1Cl 20247354 IZSBDDXUUCVHEK-ZMOGYAJESA-N 392.911 5.293 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(C)n(-c2ccccc2)c1C 33780165 NYQOPISAXWIEMT-QQXSKIMKSA-N 397.478 5.020 50 40 GKGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 206954158 WFJLJAURIUPOLZ-UVTDQMKNSA-N 375.255 5.326 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21 223513650 WDAWOQXGNXEYBE-NDENLUEZSA-N 396.538 6.346 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408578806 BCHBOVLUAYCAHT-FYJGNVAPSA-N 389.882 6.300 50 40 GKGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccc1F 408997596 RZRNFXCGYZLXFC-YSMPRRRNSA-N 385.442 5.150 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1C 409200861 JUGYFIDKFMBUBH-MLPAPPSSSA-N 390.226 5.064 50 40 GKGB Cc1noc2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)N2c1cccc(Cl)c1 1073818 HCEMZHQUCBKDFR-SFHVURJKSA-N 397.265 5.267 50 40 GKGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C1 4523967 HEISGARWPFZAHN-JUVXEETASA-N 381.303 5.165 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2cccnc12 33283033 XPCOAVYCHRMBET-SSZFMOIBSA-N 399.837 5.694 50 40 GKGB COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccc(C)cc1 62715524 KDZLSMWJHZHAKX-BQYQJAHWSA-N 395.680 5.124 50 40 GKGB N#C/C(=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 96840580 VGNZBTZRYRFWGC-YHYXMXQVSA-N 396.617 5.101 50 40 GKGB Cc1cccc(N2P(N(C)C)N(c3cccc(C)c3)P2(=O)N(C)C)c1 104160571 RGOURZLDICWKRN-UHFFFAOYSA-N 376.381 5.088 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)cc1Br 408599473 VKCGSSYYWUIXRZ-YBEGLDIGSA-N 398.687 6.735 50 40 GKGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1c2ccccc2cc2ccccc12 408731778 MZORROGZWDDLMF-JOCHJYFZSA-N 385.419 5.237 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(O)cc1 408799626 ZYMDIMZVQXPRDW-FMIVXFBMSA-N 399.233 5.505 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccc2ccccc2c1 408890180 PEDCZDSWHDTXSS-JVWAILMASA-N 398.437 5.322 50 40 GKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Cl 409009653 BAUWUNUVHBLTSA-JZCUADNKSA-N 394.902 5.363 50 40 GKGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1 2204972 ZPDKLVYOYDOHHZ-NTCAYCPXSA-N 393.443 5.102 50 40 GKGB C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 4505037 RXIKSWCXUIEGBY-LHULXJFASA-N 388.555 5.507 50 40 GKGB Br[C@@H]1CC[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1 5395453 DBNPEHNXIFTVSX-AQNXPRMDSA-N 375.306 5.105 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccccc2F)c(C)n1-c1ccc(-c2ccccc2)cc1 33647741 MWNZFGRVSKJOBC-JJIBRWJFSA-N 392.477 6.964 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OC 408580670 QNKJXOODKNTEAP-WUXMJOGZSA-N 382.674 6.118 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408727111 XFQNWWWNIGXIND-GSAAOPSWSA-N 391.298 5.530 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)cc1 408875019 HPBNXTUOZLGVKN-CJLVFECKSA-N 384.454 5.525 50 40 GKGB Cc1ccc2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)NC3CCCCC3)c2c1 408999772 SIVLUJZCIDMEDK-CYVLTUHYSA-N 383.495 5.499 50 40 GKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409048819 UEICHNCEVZEIRQ-RIYZIHGNSA-N 377.227 5.755 50 40 GKGB N#CC1=C(N)SC2(CCCCC2)S[C@@H]1c1cccc(Br)c1 1875864 BZKPMGDMEDCGFN-CQSZACIVSA-N 381.364 5.324 50 40 GKGB N#C/C(=C\c1cccs1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 4827381 CYIKZRDHKCGGEA-KPKJPENVSA-N 396.880 5.696 50 40 GKGB CCOC(=O)/C(C#N)=C/C=C(\Nc1cc(C)cc(C)c1)c1ccc(Cl)cc1 16682008 UMRJJUCPFHAIPZ-LHTSNBENSA-N 380.875 5.423 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 100182382 MUGMYCBDMMTNKL-YVIGJMDOSA-N 391.298 5.530 50 40 GKGB Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1 100843707 UWHUKDNNXOOOMH-CPNJWEJPSA-N 385.467 6.387 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 408580207 NAWBLEFHTIEYQL-PCLIKHOPSA-N 375.471 6.791 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1 408725024 GDLBUBPIYRKZTC-STZFKDTASA-N 389.882 6.382 50 40 GKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2276746 KHZGJXKEVIEZNA-JWGURIENSA-N 393.515 6.762 50 40 GKGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3278877 DIXCPGKWUGVUKJ-UHFFFAOYSA-N 399.855 5.760 50 40 GKGB O=C(O/N=C(\c1ccccc1)[C@H](Br)c1ccccc1)c1ccccc1 16923826 HVJVRICSBHAWND-VKQKAZQBSA-N 394.268 5.384 50 40 GKGB N#C/C(=C/NC(=S)Nc1ccccc1Cl)C(=O)c1ccc2ccccc2c1 104304849 CUFWHZYMDAZLLP-LGMDPLHJSA-N 391.883 5.070 50 40 GKGB Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)cc2)c(C)c1 408978492 MKHNUICMAKRCQS-LPYMAVHISA-N 399.494 5.252 50 40 GKGB CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2o1 409047176 NIEJMRRFACQXSZ-VGOFMYFVSA-N 387.266 6.234 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1 4175193 HVQZTSWILUVICB-BZAMGBJESA-N 389.436 5.347 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 8570963 NQNCXWSBNMBJPH-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C 9201412 FLHUQYAGNFQBST-WGOQTCKBSA-N 381.479 5.320 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1Cl 408586002 AFQTWHHEXSBKQN-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C)cc(=O)oc4c3)n2)cc1 1288694 VQPKWOHYDXBCJW-SFQUDFHCSA-N 399.475 5.510 50 40 GKGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl 3237545 RCSZZZGCELXSKQ-NTEUORMPSA-N 375.255 5.326 50 40 GKGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)c1ccc(C(F)(F)F)cc1 4675550 CRFPQUFAYUAHQR-FOWTUZBSSA-N 382.341 5.258 50 40 GKGB CCOc1ccc(/C=C(/C#N)Sc2nc3ccccc3s2)c(OCC)c1 6207469 SPIQJAITNDWVPH-WJDWOHSUSA-N 382.510 5.750 50 40 GKGB CN(C)P(=O)(Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 98043340 SOTCAJAKGRGJSJ-UHFFFAOYSA-N 375.412 6.187 50 40 GKGB COc1cc(/N=N\c2ccc([N+](=O)[O-])cc2)ccc1N(CCCl)CCCl 104184703 STRJCONEGQPRKH-MRCUWXFGSA-N 397.262 5.303 50 40 GKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(Cl)c1 408766843 HJNZJVYKMGSVQE-KAMYIIQDSA-N 377.856 6.025 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Cl)cc1 408813838 FQNMATMQQXEIKS-VKAVYKQESA-N 375.859 5.239 50 40 GKGB O=C(N/N=C/c1ccccc1)c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 5338296 HIDQBNZHKOCEDW-CWHMAJTASA-N 393.490 5.277 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc2ncccc2c1 6961935 QTYBUTATYPFLOJ-BKUYFWCQSA-N 394.434 5.615 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=C\C#N 118919253 JYIVYQUKEVPWQK-IOUCPEHISA-N 395.587 6.311 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2[C@@H](C)CC1(C)C 223530439 OWIBFCHBAZWLTP-MMDHUZEPSA-N 397.950 5.524 50 40 GKGB CCOc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)C 408853800 SISPMDQVXXXPPS-FOKLQQMPSA-N 393.314 5.588 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl 409045211 FRCQLXBAUQFNRW-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 9668270 NYAXHALBPHWXGQ-XMHGGMMESA-N 389.495 5.725 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cccc(C(=O)O)c1 13810170 GATOTYSDLFYIMH-GRSHGNNSSA-N 376.843 5.510 50 40 GKGB CCCCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 100860047 ULLYWQGEAVFICK-CYVLTUHYSA-N 389.524 6.138 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc21 208437047 XKMOPPDHGOUOGR-NDENLUEZSA-N 385.511 5.481 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccccc3Cl)cc21 208458046 WBQBFXJPTFKJJQ-ZMOGYAJESA-N 381.907 5.044 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nc2ccccc2[nH]1 408599764 ZJAQQWQYZQHEPJ-LFIBNONCSA-N 388.408 5.388 50 40 GKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1 408809777 IRWLPXJVIIISKT-IOVUBPJKSA-N 376.500 5.013 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc2ccccc2cc1O 1957669 JTPWXRPXSPTQGP-JVWAILMASA-N 390.442 5.616 50 40 GKGB Cn1c(/C(C#N)=C/c2cccc(OCc3ccccc3F)c2)nc2ccccc21 4423427 UBDWPRMZRLKIIA-CPNJWEJPSA-N 383.426 5.356 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 40161129 SFKPAZZITDBPPJ-MSKHEQNASA-N 379.300 5.081 50 40 GKGB c1ccc2oc(P(c3cc4ccccc4o3)c3cc4ccccc4o3)cc2c1 95486408 IAXKECXLXUIGIR-UHFFFAOYSA-N 382.355 5.683 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)cc1 208516194 LYTLNCJBXCYYJA-STZFKDTASA-N 399.538 5.816 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408808976 GZIFDEQUWYHGQV-GZTJUZNOSA-N 398.890 5.382 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1Cl 409009994 CVKDZZIHQPHBJT-ATTDUZETSA-N 379.809 6.600 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(O)cc1 409370202 MWAYVHSFVNECOV-KAMYIIQDSA-N 398.340 5.217 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)[nH]c2c1 51093196 CMJZKBWRBUKWGC-BKUYFWCQSA-N 380.495 5.960 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1 207051307 CDFVLHVHLXDBGK-JCMHNJIXSA-N 382.463 5.374 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)c(C)c1 408849919 BABJIGGSZBXOOX-VXLYETTFSA-N 376.500 5.802 50 40 GKGB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)cc1C 664763 XNFGUEDWBOJKRV-NRFANRHFSA-N 392.462 5.065 50 40 GKGB COc1ccc(CC(=O)NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)cc1 2134370 PPILBIBTHIZAKW-UNZYHPAISA-N 396.490 5.137 50 40 GKGB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)N/N=C/C=C/c2ccccc2)cc1 3085831 SDKCXJSIDABMCJ-LLZLJMPVSA-N 394.518 5.425 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)c(C)c1 4090749 IISZJYYRBYSGNS-LDADJPATSA-N 379.891 5.103 50 40 GKGB CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)s1 4520479 PMBZIGAEASOYCL-FMIVXFBMSA-N 380.296 5.972 50 40 GKGB COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2ccc(C)cc2)cs1 4808209 YFGRTWSXAAUOLM-PTNGSMBKSA-N 381.888 5.757 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)c1C 208206789 MOGYQZFTOILRNC-BRLDDBHUSA-N 387.527 5.571 50 40 GKGB Cc1cccc(COc2ccccc2/C=N/NC(=O)c2ccc(C)cc2Cl)c1 409053077 XBTGXTZQBMHNCY-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@H]1c1ccc(Cl)cc1 806252 UCRPWBQALDCRHT-IBGZPJMESA-N 398.853 5.101 50 40 GKGB CCN(CC)CCOc1ccc(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)cc1 1689670 FBADFTXARFJIBJ-XDJHFCHBSA-N 388.433 5.490 50 40 GKGB CC(C)c1ccc(/C=N/NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 2779736 GCPKBEHDLYQLKM-LSFURLLWSA-N 399.705 5.299 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)c(Cl)c1 59417844 HRCJLVWLFXUDAA-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCO/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(C)cc2)s1 82087318 YWIYWEOLIMVWRA-JXAWBTAJSA-N 389.480 5.272 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 108004275 HAAGZALUCIORCS-KWZJRMENSA-N 384.863 5.072 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 408528279 DROWZYNSJYLEHY-GDNBJRDFSA-N 389.282 5.718 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)cc1C 408548025 BZECNTFYDHWJLW-QQXSKIMKSA-N 376.503 6.928 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(O)cc1 408793986 HMJCLEXYTPSMMW-ZRDIBKRKSA-N 399.233 5.505 50 40 GKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl 408799153 YGPACKPUYRDZHA-LICLKQGHSA-N 398.890 5.300 50 40 GKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408811489 RDPMNMCRGXWKKK-LUJYGJGBSA-N 384.479 5.240 50 40 GKGB O=C(Sc1ccc(Cl)cc1)[C@H](Cl)[C@H](Cl)c1ccc(Cl)cc1 1685420 RJWWDVMPCZLDGN-ZIAGYGMSSA-N 380.123 6.200 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccccc1 2216964 WTTHMOHORVVMKZ-HZHRSRAPSA-N 391.474 5.793 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 2670440 PNCICHDWBROREE-LFIBNONCSA-N 384.863 5.073 50 40 GKGB CCCCCC[N+](C)(C)CCSSCC[N+](C)(C)CCCCCC 4311815 NJGYKWVVSHWJLC-UHFFFAOYSA-N 378.736 5.681 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 4311871 KOWZBOGDUGKDIR-RVDMUPIBSA-N 392.440 5.012 50 40 GKGB CCCCCOc1ccc(/C=N/NC(=O)c2cc(Cl)cc(Cl)c2O)cc1 4699159 GGCUUFFZKBKZOG-WSDLNYQXSA-N 395.286 5.032 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1Cl 7893970 BZFBFXGFJOOGHA-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB C[C@H](Cl)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20132092 IJGPBBXJZKFDCL-JTQLQIEISA-N 381.284 5.095 50 40 GKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1 30821988 ABHPNDANHPDYFS-BTXKWLAHSA-N 379.287 5.036 50 40 GKGB CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2[nH]1 42227151 HVCUZEMPAJWDFH-KSSFIOAISA-N 377.579 5.090 50 40 GKGB biogenic COc1ccc(Cl)cc1-c1csc(/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)n1 97994608 QNKCIXWWIDJCPW-JYRVWZFOSA-N 397.843 5.444 50 40 GKGB Cc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(Cl)cc1 408566866 ISTZLPJFKGGVHJ-MHWRWJLKSA-N 390.849 5.827 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408795511 LXHGHTFCSGWLPR-OQLLNIDSSA-N 389.282 5.500 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)cc1C 408812481 SORWGEHRCOXJRC-KGENOOAVSA-N 398.462 5.134 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1C 408814778 SFFFJMHYTIFZCY-XSFVSMFZSA-N 384.479 5.790 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C)cc2)cc1 3242698 TVSAKJLQQZSKKL-QNGOZBTKSA-N 398.462 5.128 50 40 GKGB CCOc1ccccc1/C=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4174924 KQLQJHPHTSOASM-YBEGLDIGSA-N 377.425 5.181 50 40 GKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccccc2)cc1 33794059 UESHFCPFQIHESW-YZSQISJMSA-N 380.447 5.279 50 40 GKGB CCOC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 59399064 BIVRLYBVEDVTAT-QGOAFFKASA-N 391.854 5.542 50 40 GKGB BrCc1ccc2nc(-c3ccccc3Br)sc2c1 73740277 SIWAASTVUZPJFQ-UHFFFAOYSA-N 383.108 5.621 50 40 GKGB COc1cc(OC)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 408548967 OKMGGIFVXDHFEO-ZDLGFXPLSA-N 394.268 5.684 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)cc1 408585767 IDVJXSUHKMYNQB-YVLHZVERSA-N 385.269 6.604 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)o1 408590042 NYERQOZUEFFXQT-LSHDLFTRSA-N 390.270 5.066 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408726432 SSWYBYIAGBKCDE-OQIPFHDDSA-N 391.298 5.530 50 40 GKGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 408753119 LNZXTEQSQPFCRU-YHYXMXQVSA-N 386.065 5.846 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)cc1C 408871692 ZDHGLLHKTFJITD-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)c1 409000858 NLEQIPTUAZDNGH-QNGOZBTKSA-N 397.522 5.354 50 40 GKGB CC(C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409207928 CSIHZSOKMIWKHE-DHDCSXOGSA-N 387.233 5.209 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1F 409240693 UWXIHWNQMLZAGA-XESZTULISA-N 387.458 5.018 50 40 GKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc12 855538 QVOJVJMKJSFARA-ZHZULCJRSA-N 378.431 5.547 50 40 GKGB O=C(N/N=C/c1c(Cl)[nH]c2ccccc12)c1sc2ccccc2c1Cl 1308236 JBNHJXLVBXWVIV-ZVBGSRNCSA-N 388.279 5.453 50 40 GKGB S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1 1680413 VNDRMZTXEFFQDR-UHFFFAOYSA-N 384.708 5.206 50 40 GKGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1 1821606 DOIXXDSBZYPPHG-PKMWXWRXSA-N 380.451 5.049 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 4025875 NJHIQSIODLRTDP-VMLIXWHFSA-N 391.559 5.376 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3)n2)cc1 6306917 IVAJBFHOAIWZEP-UNOMPAQXSA-N 378.928 6.726 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)c1 28216385 JSHGXBTVOPXIHO-IERINAHZSA-N 391.540 5.033 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)[nH]c2c1 33826171 OKZQAMUCHWVWAH-LDADJPATSA-N 386.886 5.996 50 40 GKGB CC[C@H](Cl)CCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 299817274 QCNUSOJQZULYQA-SFHVURJKSA-N 375.899 6.433 50 40 GKGB in-vitro CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(SC(F)F)cc2)o1 2669632 BVUPVDGEKMSHTH-NTCAYCPXSA-N 391.439 5.902 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1 5881685 ZFNLRQSGVJNBCC-NBVRZTHBSA-N 379.891 5.184 50 40 GKGB Cc1cccc(Cn2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c3ccccc32)c1 15013363 QACQAAACMQWDKK-XSFVSMFZSA-N 388.474 5.939 50 40 GKGB Cc1cc(/C=C(\C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)n1C1CC1 96032403 FDGXCVNIAFQXSS-OQLLNIDSSA-N 381.451 5.906 50 40 GKGB CC(C)(C)c1ccc(OCC(=O)N/N=C2/CCCC[C@H]2C2CCCCC2)cc1 103458806 WMEFGAHKQGWCTO-FNLARSECSA-N 384.564 5.606 50 40 GKGB CC(C)=C1[C@H]2c3c(F)c(F)c(F)c(F)c3[C@@H]1[C@H]1[C@H](Cl)C=C[C@H](Cl)[C@H]21 104292112 CCWKSRTXLNRHSM-WGNWSJKRSA-N 377.208 5.791 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)c(Cl)c1 408585828 JCLYRYIYEFZBSM-SFQUDFHCSA-N 378.258 6.223 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 408718901 UWYPXDWYNTVCRG-FBWDRCQYSA-N 396.918 5.195 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 408735515 TYYSVPQXOOAHSF-CPNJWEJPSA-N 388.854 5.465 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c1C 408804738 HBBNYYRKUZWMPY-FBTHGLLTSA-N 397.522 5.495 50 40 GKGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1 408994149 GOIRXKCGKGYTCN-QQXSKIMKSA-N 397.478 5.020 50 40 GKGB O=C(NN=C1CCCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1 5784265 WCXPXROOJKIPKQ-UHFFFAOYSA-N 384.479 5.592 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccccc4F)cc3)nc2c1 107571756 IXSOYQNGBDKZSJ-UYRXBGFRSA-N 383.426 5.654 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)Nc3ccccc3)cc21 208245207 RWOOVFJVSABFGF-LTOJSDLTSA-N 384.911 5.218 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408725605 MOONGCVCXJJICZ-OQIPFHDDSA-N 391.298 5.530 50 40 GKGB N#C/C(=C/c1ccc(I)o1)c1ccc(Cl)cc1Cl 408758859 SOZQXKNMAMSHAP-YVMONPNESA-N 390.007 5.255 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)cc1 408769078 NHONXTNDJYGKAO-MOSHPQCFSA-N 380.413 6.486 50 40 GKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl 408843764 UCCIAFIKFUHFHZ-OEAKJJBVSA-N 393.314 5.232 50 40 GKGB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)CSC#N)c3ccc(C)cc32)cc1 2317862 MPDFZCVQDFLGAO-QHCPKHFHSA-N 378.541 5.339 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1)c1ccccc1 3258977 NDGICUBWNXCRBA-SYVPYPDPSA-N 382.463 5.050 50 40 GKGB O=C(CCl)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 3885298 YASLXSUMPZREQH-UHFFFAOYSA-N 377.296 5.236 50 40 GKGB CC(C)O[P@@](=O)(CCl)OCCCCO[P@](=O)(CCl)OC(C)C 4917309 UPPHLVLSXDATPC-FGZHOGPDSA-N 399.188 5.429 50 40 GKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 5584377 OOECSZCXRCXENG-ATVHPVEESA-N 387.351 5.359 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2C)cc1 98001325 PDDKNTWFGOMFCD-LHLOQNFPSA-N 394.559 6.278 50 40 GKGB c1ccc(CCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 104086717 YCQLRIXXWUOUSS-UHFFFAOYSA-N 382.487 5.346 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc12 111904564 BQTZEEYXRJPWGB-SFQUDFHCSA-N 390.870 5.746 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C 223573036 PNYPLRKUHIGAKJ-MMDHUZEPSA-N 397.950 5.524 50 40 GKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2)c1 408549416 SLOMZULATRKSCY-QQXSKIMKSA-N 375.471 6.791 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)o2)cc1 59137884 LLIUIAGPMUDWBL-AQTBWJFISA-N 388.492 5.902 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)cc1 59201956 QVKQICFHLODTSU-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB Cl[C@H](CC[C@@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 79979347 NRBGXCOKLPAQMS-PHDIDXHHSA-N 389.792 6.502 50 40 GKGB CCCCCCCCCCC[C@@H]1C(C#N)=C(N)O[C@H]2c3ccccc3OC(=O)[C@H]12 229993877 DPRNSWTVQWKXHM-YHYVQYDKSA-N 396.531 5.524 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 408542938 LXIIUVSVXNHONY-ZLYHGVDXSA-N 385.847 5.288 50 40 GKGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1Cl 409013761 VFOWCCCZQBLGOL-MFKUBSTISA-N 387.870 5.356 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc(F)c1 409392173 LRVRAYONLCRPBS-ZDLGFXPLSA-N 398.264 6.776 50 40 GKGB O=C(COc1cccc(Cl)c1)N/N=C\c1c2ccccc2cc2ccccc12 4724102 HUDQEDOQDQZXJY-QFEZKATASA-N 388.854 5.176 50 40 GKGB CCCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1 5385700 JPOQEIWWWMHBTD-XNTDXEJSSA-N 396.288 5.487 50 40 GKGB N#C/C(=C/c1cccc(OCCOc2ccccc2)c1)c1cccc2ccccc12 6495999 MKKVHHBVDRNJLY-NKFKGCMQSA-N 391.470 6.362 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 35656616 ZAVBSFLTLJKBKA-BOPFTXTBSA-N 387.395 5.017 50 40 GKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1cccc(Cl)c1 408873012 LUFQXJHQUHJBAE-XDHOZWIPSA-N 390.845 5.616 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(C)C 408986214 OSMWZHQQKMWYIO-GZTJUZNOSA-N 398.890 5.319 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 409366584 WQCBOJDFJVNLAR-ODLFYWEKSA-N 389.838 5.712 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@H](c1ccccc1)[C@H](O)c1ccccc1 2127161 VOSMIMJSQXRDMX-CLJLJLNGSA-N 398.442 5.475 50 40 GKGB CCOc1ccccc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2282105 LQCBSTNCXFVUCP-NTCAYCPXSA-N 392.440 5.094 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(Cl)c3)n2)cc1 4175290 NZAITHFUFLNNLC-SFQUDFHCSA-N 379.916 6.311 50 40 GKGB O=C(NNc1c2ccccc2nc2ccccc12)c1cc2ccccc2cc1O 5477552 XFCCKOHKVLGFGL-UHFFFAOYSA-N 379.419 5.004 50 40 GKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 13982883 IDSGVPAZXAACRT-XIJPWPHISA-N 379.287 5.036 50 40 GKGB COc1ccc(COC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1 59488014 VJKZGGPIZOEGGZ-MFKUBSTISA-N 399.450 5.104 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2 409360399 FGEAKONCFBDDFS-GRSHGNNSSA-N 389.838 5.712 50 40 GKGB CC/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 15938748 SQGRCGOQUBKTQR-RCCKNPSSSA-N 390.097 5.844 50 40 GKGB N#CC1=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)SCC1 100363422 JBFWENSXAXGPQJ-UHFFFAOYSA-N 386.460 5.036 50 40 GKGB Cc1c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc2n1Cc1ccccc1Cl 408768253 VLAOUWWUQNKSRL-PDGQHHTCSA-N 391.902 5.083 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 408772190 CCMIWYDMTTUUAU-UHFFFAOYSA-N 379.888 5.639 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 408804745 HCNMYYGCJVUBKI-SFQUDFHCSA-N 398.890 5.382 50 40 GKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408819526 ZFXNVDGEAGEARZ-CQHJRZBDSA-N 384.479 5.240 50 40 GKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCCC(C)C)cc2)cc1 409121505 YERAUWROECSEFE-MMTNMYCKSA-N 384.545 5.051 50 40 GKGB CC(C)Oc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 4457860 BADFICFQMCZIFC-NTEUORMPSA-N 382.261 5.177 50 40 GKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 12654456 VEIABLNKNSOQQY-LXGBQXIBSA-N 392.967 5.303 50 40 GKGB biogenic CCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Br 169948960 WJQYWVLHEGVNSN-DHDCSXOGSA-N 396.288 5.405 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1C 208206671 OAYRCPIBKGRNGE-BDBXIWDTSA-N 387.527 5.571 50 40 GKGB O=C(CCCCBr)c1ccc(COc2cc(F)ccc2F)cc1 575358413 SZLHNNORGLKUNC-UHFFFAOYSA-N 383.232 5.292 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)cc1 3178756 XXUHBSHRCJVJTM-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)C12CC3CC(CC(C3)C1)C2 4600019 AIYVILPYSBCNHW-JVWAILMASA-N 382.507 5.660 50 40 GKGB N#C/C(=C/c1ccc(OCCOc2ccccc2)cc1)c1cccc2ccccc12 6495996 CTJSZAQUEKFIAV-NMWGTECJSA-N 391.470 6.362 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1Br 6941690 HDXHBQBGFKMZQB-QGOAFFKASA-N 392.296 6.455 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1 100035242 PRMCJJKDHLHHTF-YYADALCUSA-N 394.559 6.360 50 40 GKGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccccc1F 107582859 ZLACTKHQSGDIJY-LGMDPLHJSA-N 390.389 5.046 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1 409244165 YVEAGEGZKUXXNG-FJSNCCPHSA-N 388.492 5.524 50 40 GKGB COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc12 695165 DWNBDISXIVXEEC-CVKSISIWSA-N 394.430 5.512 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC(C)C 7159651 CDSLHWZHRDOTEU-LICLKQGHSA-N 398.890 5.238 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1 409361386 HCFYXGLRKKTYBZ-ZHZULCJRSA-N 390.280 6.092 50 40 GKGB CCCCCCCC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 2185035 ZXGASLALCZXRQS-KGENOOAVSA-N 391.309 5.520 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c1 2859910 VSHWNXNQVKDTAD-XSFVSMFZSA-N 391.515 5.555 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(OCCC)c1 3249169 KVFCUOJNGTUYMN-CQHJRZBDSA-N 392.499 5.049 50 40 GKGB N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 8846224 YXUWMXKEMPGUDO-SFHVURJKSA-N 398.249 5.054 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3c(C)cc(C)cc3C)n2)cc1 13766035 KOTHFYLRTJQUSY-PDGQHHTCSA-N 375.497 5.721 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cc1 13939818 NNMGRDRUYFAMSM-QNGOZBTKSA-N 399.494 5.347 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)c1C 59473695 LFDOAYWZXUUTBJ-MFKUBSTISA-N 388.536 5.668 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 4514969 QVVRCXISFPWGSA-BOPFTXTBSA-N 396.874 5.158 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(\C#N)c1cccc2ccccc12 6323448 QHULYSMTJNNZHM-RELWKKBWSA-N 377.487 7.236 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 59410717 NYMKEUOIKNMRDG-PCLIKHOPSA-N 392.886 5.002 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 408532851 PJZPCAQWGHSNRB-PDGQHHTCSA-N 382.891 5.681 50 40 GKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 408583087 RLKWQDWBIMYDNO-FYJGNVAPSA-N 389.882 6.300 50 40 GKGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409220549 BHWPUSMBYUMEEG-FOKLQQMPSA-N 391.229 5.085 50 40 GKGB CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 4063726 HMFBSJQPUWBFMI-FOWTUZBSSA-N 379.916 6.563 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 6339310 KUBQDQXNKVMACI-NTEUORMPSA-N 385.206 6.226 50 40 GKGB CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc2ccccc2c1 6351467 ZLMJMNKGTFQWTP-UNOMPAQXSA-N 378.269 6.065 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1 8321211 QYAGGFUFSJBSPS-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB Cn1c(/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)nc2ccccc21 12519892 VXJQYUFDUZBYIH-NTCAYCPXSA-N 386.436 5.274 50 40 GKGB O=C(NN/C(=N/c1ccccc1)SCc1ccc(Cl)cc1)c1ccccc1 15931802 OKWSGZRMHIXEAR-UHFFFAOYSA-N 395.915 5.196 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1 58871136 ZSLKTFLUXWOFTL-YZSQISJMSA-N 380.447 5.183 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(F)cc1 58916009 JQEOWLMSQOEKCB-KOEQRZSOSA-N 392.499 5.413 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)cc1 209387627 POHPTIUGHYCKTB-SSZFMOIBSA-N 376.387 5.030 50 40 GKGB CCCCOc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 408719114 DYHBSRVHJVWNLO-PXLXIMEGSA-N 390.936 5.151 50 40 GKGB N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408893019 DRWXDDYMBBDJAL-GXDHUFHOSA-N 382.341 5.110 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(F)c3)n2)cc1 6306908 DECNIQMRYLPZIB-QGOAFFKASA-N 377.488 6.124 50 40 GKGB CCn1c2ccccc2c2cc(/C=C(\C#N)c3nc4ccccc4s3)ccc21 6366462 IYJYFOFKJUHSRZ-GHRIWEEISA-N 379.488 6.488 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 106269773 OABVOERAKHNDFR-WCVSUZCSSA-N 383.319 5.081 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1cc(Cl)ccc1Cl 408567521 OFSCHIOXYCNIQT-GRSHGNNSSA-N 392.289 6.337 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2C)cc1 408785642 AERBNUVKOWPJSH-UYRXBGFRSA-N 389.886 5.602 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)cc1 408790005 PSGVCOVSJHQZJM-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1C(C)C 408851878 AZUTXCUFPHSDCT-LDADJPATSA-N 378.472 5.071 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC 408984081 PPXGBZXJWJPSRC-QGOAFFKASA-N 380.875 5.321 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 409364570 OAZKLMXKJCGIMT-ODLFYWEKSA-N 389.838 5.712 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 1439419 XECWRKBVMSMRDX-NYYWCZLTSA-N 381.646 5.201 50 40 GKGB Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4263947 VYYCELJHOMOYIT-GXDHUFHOSA-N 396.859 5.657 50 40 GKGB N#C/C(=C/c1ccc(O)c(Br)c1)c1nc(-c2ccccc2)cs1 17192229 XWVMBTCFYRLEPM-ZSOIEALJSA-N 383.270 5.342 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 208319310 INMLXTNSYDFSBG-SYERDGIWSA-N 378.947 6.825 50 40 GKGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408799186 YIRPDDYLIWALAQ-LICLKQGHSA-N 398.890 5.300 50 40 GKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(C)c2)c2ccccc12 408800358 OMFWWKOIBCLBTO-SXZORUHJSA-N 385.511 5.128 50 40 GKGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3cccc(C)c3)sc2c1Cl 408970244 DJJNPBGHCNLSCP-NKVSQWTQSA-N 393.295 5.289 50 40 GKGB O=S(=O)(c1ccccc1)[C@H]1[C@@H]2c3ccccc3[C@@H](Cl)[C@H]1c1ccccc12 5049067 UJHROKOHZLQDOP-CBPXPLCBSA-N 380.896 5.052 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccccc1 5774404 QGFFWYLQKCBKNA-ACCUITESSA-N 383.234 5.799 50 40 GKGB Cc1cc(C)c(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 13135440 LUCIEDMZXCREPW-OQLLNIDSSA-N 380.296 5.257 50 40 GKGB N#C/C(=C\c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 13546815 GYJVPRKCEASDDB-RVDMUPIBSA-N 383.329 5.468 50 40 GKGB COc1cccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 13943262 YCCPPGURQMQYCL-WPWMEQJKSA-N 395.462 5.064 50 40 GKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C(\C)CCCCC)cc1 100045051 AVBRXMJOJMAINK-NJNXFGOHSA-N 388.596 6.892 50 40 GKGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OCC 107635184 XMXIWJMLAILVIB-BWAHOGKJSA-N 396.531 5.371 50 40 GKGB Cc1ccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)cc1C 409186576 DYYXXPJPKDEBQP-UUYOSTAYSA-N 399.903 5.857 50 40 GKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(OC)cc1Cl 948319 ZDAJAWWQYJRUQW-CXUHLZMHSA-N 384.863 5.026 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 1095534 ODQXFISSJBMZLM-SDNWHVSQSA-N 397.261 5.701 50 40 GKGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408895401 KFYHSWZGNFUTAC-IZZDOVSWSA-N 385.172 5.558 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1Cl 409019629 ZZZGJFBLHVGIRL-WJDWOHSUSA-N 386.804 6.522 50 40 GKGB O=C(CCCCCBr)c1ccc(C(F)(F)F)cc1C(F)(F)F 575360767 IAQXMQQQTQCROD-UHFFFAOYSA-N 391.149 5.862 50 40 GKGB C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1c(Cl)cccc1Cl 3175124 OELQHWZCJPDNMC-GHONEHJGSA-N 387.266 5.064 50 40 GKGB Cc1ccccc1/C=C(\C#N)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 4147577 ONBPFFMBSWIOCI-HZHRSRAPSA-N 384.548 7.230 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C(F)(F)F)n2)cc1 4995915 GNJIYFKBAQJVJE-XNTDXEJSSA-N 386.398 5.902 50 40 GKGB CCOc1cc(C(=O)NN=C(CC(C)C)CC(C)C)cc(OCC)c1OCC 5020402 JWYBBQCWXACHSU-UHFFFAOYSA-N 392.540 5.061 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)cc1 6306905 HAHMOOVOXJYKTR-QGOAFFKASA-N 393.943 6.639 50 40 GKGB N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 20348170 MPNQBJGVDZIWSQ-IBGZPJMESA-N 378.522 5.111 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1 33481911 VTDIZQADCWNLKS-RCCKNPSSSA-N 388.536 6.616 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 408776638 XWYKKGUCUMKUBX-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)c1 408876016 MEFDXOSGGXDFII-PCLIKHOPSA-N 394.518 6.057 50 40 GKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 409117644 PQQQSINQVKCKQH-PMFZIYJTSA-N 398.531 5.932 50 40 GKGB O[C@@H](CBr)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 1671981 XNMDILPXJMMUCF-KRWDZBQOSA-N 397.099 5.637 50 40 GKGB Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CCl)c3C#N)C(C)(C)C2)o1 3252736 AWESZRRECXKIEA-FNORWQNLSA-N 386.904 5.477 50 40 GKGB CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)cc1 8395933 WVYUMNGJONWOEN-XIEYBQDHSA-N 396.531 5.263 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCCCC1 16669635 VUKTVEDEPXTRFI-QBFSEMIESA-N 375.255 5.173 50 40 GKGB CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 59116692 LFIMMYZZEHKWRZ-FOWTUZBSSA-N 399.288 5.174 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2C(C)=CC1(C)C 208524186 IQMRHAZJSGSAAQ-BKUYFWCQSA-N 399.538 5.871 50 40 GKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1ccc(Cl)cc1 408867508 LGRHSNIXAHGZGY-CPNJWEJPSA-N 390.845 5.616 50 40 GKGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 4677332 QZQJSTKTUJEGDL-DNTJNYDQSA-N 389.666 5.765 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4790779 JVUDEMWLWGDFBK-SDNWHVSQSA-N 393.786 5.054 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4851740 MUGMYCBDMMTNKL-FRVCPQCZSA-N 391.298 5.530 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(F)cc3)o2)c(Br)c1 8368367 AIVWRJAQFOQYGL-PTNGSMBKSA-N 382.232 6.221 50 40 GKGB Cc1ccsc1/C=N/NC(=O)c1sc2cc(C(C)(C)C)ccc2c1Cl 26965875 WGPITRZCRZKLIL-UFFVCSGVSA-N 390.961 5.986 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 33343631 OGEJYQFXHLYUDY-UVTDQMKNSA-N 397.261 6.108 50 40 GKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(C=O)=C(Cl)[C@@]4(C)CC[C@@H]32)C1 38933906 UCTLHLZWKJIXJI-LXIBVNSESA-N 376.924 5.183 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2C(C)=CC1(C)C 208501869 AJOFKVZVCHABRM-AFUMVMLFSA-N 395.934 5.434 50 40 GKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)c1 408567033 KGQQRYNZVJATDV-QRVIBDJDSA-N 395.462 5.207 50 40 GKGB O=C(CSCc1ccccc1Cl)NN=C1CCCCCCCCCCC1 4578315 VDVLHNVWJQEBBF-UHFFFAOYSA-N 395.012 6.350 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cc(C)ccc3C)n2)cc1 13773977 UCMJBJJKFNUUQP-AQTBWJFISA-N 375.497 5.802 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 58822928 SYOVWIGHNBYLJO-XNTDXEJSSA-N 380.806 5.593 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)NC1CCCCC1)[C@H](C)CC(C)(C)N2C 208234770 NFXJDQZNBBDARO-UEXNTNOUSA-N 379.548 5.073 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1C1CCCCC1 408740823 MXZDBSCYDCTWRB-UYRXBGFRSA-N 383.333 6.437 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 408772125 DDEGPAXXKTYODB-WQRHYEAKSA-N 395.275 6.060 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408792711 BNKCWIAVIGNATH-VGOFMYFVSA-N 375.255 5.165 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC 408794554 SOJFTVFKECUBPK-LICLKQGHSA-N 398.890 5.300 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccccc34)n2)cc1 999281 RMXZQVLAPYKWIW-XDJHFCHBSA-N 397.503 6.339 50 40 GKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1F 34861907 WKYXYOJHUXYIBT-LGMDPLHJSA-N 390.389 5.046 50 40 GKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1 59116695 GXZHHFCLYJKTRM-CPNJWEJPSA-N 388.854 5.465 50 40 GKGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cc3ccccc3)cc2)cc1 216069310 JLJIWNZWGCOVKY-LGUFXXKBSA-N 386.495 5.220 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2)cc1 408585905 KBYFJBMZIIPLQT-JAIQZWGSSA-N 394.301 6.945 50 40 GKGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1 408587618 GMBHZVUBCSVUGT-WGOQTCKBSA-N 397.478 5.020 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1cc(Cl)ccc1Cl 408592509 YUPOQZBWGQDLDJ-UFFVCSGVSA-N 392.311 5.226 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1)Sc1nc2ccccc2[nH]1 408598580 DXVCZEZDIZYNAQ-RGEXLXHISA-N 383.476 5.799 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C 408960251 KFECYJJANFUTMW-AFUMVMLFSA-N 393.918 5.382 50 40 GKGB O=C(N/N=C\c1ccccn1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408969333 MBSUNDHTWHZNMS-SCDVKCJHSA-N 384.675 5.020 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 1977734 PAOQYPCQTQGEOD-HMMYKYKNSA-N 394.471 6.017 50 40 GKGB Cc1ccc2cc(/C=C(\C#N)c3nc(O)c4ccccc4n3)c(Cl)nc2c1C 5072299 OPIOULGPBVAUTN-MHWRWJLKSA-N 386.842 5.218 50 40 GKGB CCn1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 13108757 SZNCZUXIWJOQGY-QFEZKATASA-N 381.435 5.325 50 40 GKGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)c1nc(-c2ccccc2)cs1 18903019 XLGXLJKJJJNKAZ-CPNJWEJPSA-N 382.492 5.677 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\C1=Cc2cc(Cl)cc(Cl)c2OC1 58168866 FSRQLSPIOOGKEZ-CHHVJCJISA-N 385.250 5.166 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)nc2c1 107664286 SCYSLSAXVHVGTQ-GDNBJRDFSA-N 384.395 5.412 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccccc3)cc21 223501542 XOSBIACVNHNXPY-MFKUBSTISA-N 375.516 5.169 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1 408569016 YBZQSAXBLKSGIO-BOPFTXTBSA-N 386.430 5.182 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408580099 AEKLYRJXLWGOQR-CXUHLZMHSA-N 387.863 5.219 50 40 GKGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1cccc2ccccc12 408591213 RZWUJIAZRRMMNT-OVVQPSECSA-N 395.506 5.330 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccccc1 408599679 YJNJQVHZSURGJM-BKUYFWCQSA-N 389.882 6.382 50 40 GKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408746652 UXBAMIUYPZKMJQ-GHXNOFRVSA-N 395.673 5.591 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 408976004 DNYRSPVXROEDIE-MDWZMJQESA-N 386.238 5.314 50 40 GKGB CCc1ccc(N2C(N)=C(C#N)[C@H](c3cccc(Cl)c3)c3c(C)noc32)cc1 1073833 WKHSXMHXMRWOLK-FQEVSTJZSA-N 390.874 5.176 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1 57838118 PVMCIKWMMQFBQE-HKLPFQIESA-N 386.495 5.097 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 207156217 RNUOUMFQQFNPRK-RNLRLKOUSA-N 396.490 5.358 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3C)o2)c1 408746458 ZIZDZQFZIHEPOY-WJDWOHSUSA-N 376.843 5.763 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCC 408795730 MWYKWRNCOKQEMZ-LICLKQGHSA-N 398.890 5.300 50 40 GKGB COc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(C)C 408851232 AKSRXAVZEWKTOL-LSHDLFTRSA-N 379.287 5.198 50 40 GKGB Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)NC3CCCCC3)c2c1 408997332 NSLANYGKZNFGIL-HKWRFOASSA-N 397.522 5.808 50 40 GKGB N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1cccs1 409128446 FPCJKIVZVOLGPY-LBPRGKRZSA-N 395.336 5.327 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)NC1CCCC1 409196264 YDEINDIDYLCIGD-SSZFMOIBSA-N 382.916 5.457 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1 1112694 VIHUSPODVWHRRB-XSFVSMFZSA-N 387.439 5.465 50 40 GKGB O=C(c1ccccc1)[C@H](CBr)[C@H](Br)c1ccccc1 1660021 KUFJRYXCKFQGHE-HUUCEWRRSA-N 382.095 5.017 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl 4691203 XXVXNPJINBKVPQ-BVTUPMQUSA-N 390.708 6.344 50 40 GKGB C/C(=N\NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc2ccccc2c1 5570583 UKCPDJIUDZCIAT-WPWMEQJKSA-N 399.469 5.540 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OC)n2)cc1 6892528 FSURRAKQFODAEX-SFQUDFHCSA-N 392.480 5.290 50 40 GKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c(C)c1 6961358 CESPZZGQCIEYRM-XKZIYDEJSA-N 385.467 5.992 50 40 GKGB N#C/C(=C1/C(O)=Nc2ccc(Br)cc21)c1nc2ccccc2s1 16545354 SLFYSWAGHFRMMM-PTNGSMBKSA-N 382.242 5.095 50 40 GKGB FCCN(CCCl)c1ccc(/C=N/c2ccc(Br)cc2)cc1 17837526 IZTDVWPJTVBVGE-FYJGNVAPSA-N 383.692 5.214 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 209485221 MWQFONQVPXKELL-BUVRLJJBSA-N 383.491 6.345 50 40 GKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)cc1 408585191 CNPIUZJDZNBHTF-YBEGLDIGSA-N 398.245 6.104 50 40 GKGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 2069292 NGZZBALOBCQGDO-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl 6962526 DWZFRUNQGFCCAT-PDGQHHTCSA-N 377.831 5.720 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 59201502 BLQYWROTRQNJMH-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl 212126775 LQBZMVBMBBXRTG-WDZFZDKYSA-N 396.071 5.302 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1F)[C@H](C)CC(C)(C)N2C(C)C 223590622 QQRVHDQULVXYTC-OXVLKEGXSA-N 395.522 5.399 50 40 GKGB N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1ccccc1Cl 408871562 HIGHJIDOBWGHMH-XMHGGMMESA-N 390.845 5.616 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)=O)cc3)n2)cc1 5007567 YBGKGFXOTOLXOY-LDADJPATSA-N 390.464 5.198 50 40 GKGB Cc1cc(C)c(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c(C)c1 5695680 QQASIUWDMKRPIG-SEJMYLSOSA-N 389.524 5.099 50 40 GKGB CCCC[C@H](Br)C(=O)Nc1nc2cc(Cl)c(C)cc2s1 20132893 MCLAHMSILQBSIY-VIFPVBQESA-N 375.719 5.150 50 40 GKGB CCCCCCCCCCC[C@@H](I)CC(F)(F)F 103528340 RLYCIGLMQGWVEV-CYBMUJFWSA-N 378.260 6.663 50 40 GKGB COc1ccc(Br)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 408543386 OPTNNLMDUALWMY-RIYZIHGNSA-N 382.261 5.015 50 40 GKGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1c(Cl)cccc1Cl 7164581 SBPWJLMXGXKWPC-YRNVUSSQSA-N 396.071 5.302 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)Sc1nc2ccccc2[nH]1 408599558 WJMYZKUYBRLBCW-LFIBNONCSA-N 387.420 5.178 50 40 GKGB CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(C)cc1C 3177522 SPYVWJNCTPLEBY-UHFFFAOYSA-N 383.520 6.518 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccs1 4739418 BMNSATYUUMOGRA-FSJBWODESA-N 393.899 5.168 50 40 GKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1C 33658056 MOAUYIVBOFZAFX-ODLFYWEKSA-N 391.858 6.028 50 40 GKGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CSCc2ccccc2)cc1 59473653 SWUPKFVAUQCOGQ-ZVHZXABRSA-N 394.927 5.537 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc21 223482364 VVEGGSMRKSRJEE-NDENLUEZSA-N 376.931 6.814 50 40 GKGB N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1 408874754 ADXNGAACPJMAIK-CPNJWEJPSA-N 390.845 5.616 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1F 409240690 UWXIHWNQMLZAGA-RHTHQAGFSA-N 387.458 5.018 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc([N+](=O)[O-])ccc3F)n2)cc1 2064340 WRIHVNSNHHDDTL-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1cc2c(s1)CCCC2 7239055 IQXRCGUNUYBPSK-UHFFFAOYSA-N 388.536 5.198 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cn(C(C)C)c2ccccc12 16249531 NMGDIDIAASGEJH-GIJQJNRQSA-N 379.467 5.231 50 40 GKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccc(F)cc1 59534998 GVCGPWKCKXIODY-LDADJPATSA-N 390.389 5.089 50 40 GKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C 408802906 JBDBSUWUECEXKI-CPNJWEJPSA-N 389.886 5.602 50 40 GKGB N#C[C@H](c1ccc(OCc2ccccc2)cc1)N(C(=O)CCl)c1ccccc1 2378316 YUESFWNUEBKBIE-JOCHJYFZSA-N 390.870 5.102 50 40 GKGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 4156406 NROSIUALRAMKSJ-ZXCVBSDHSA-N 393.314 5.209 50 40 GKGB CC1(C)[C@@H]2CC[C@@H](C2)[C@]1(Cl)CSC(=O)S[C@H](Cl)C(Cl)Cl 5640189 HWKTUDBREZNAGP-XIJZCFGVSA-N 396.232 6.375 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1 12652792 IWCBPJUUWGJZEG-FMIVXFBMSA-N 390.786 5.449 50 40 GKGB C[C@@H](Cl)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20132089 IJGPBBXJZKFDCL-SNVBAGLBSA-N 381.284 5.095 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc21 208440442 PLUHCGPQOGRXSF-ZDLGFXPLSA-N 393.328 6.145 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc21 223481126 UHEMSRVRMRYCSH-BKUYFWCQSA-N 399.538 5.951 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc12 408809551 HLEWAYPGHIZJGA-TWKCPADZSA-N 390.527 5.476 50 40 GKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(C#N)cc1 3612930 NLKSSBDVEVGATG-MYYYXRDXSA-N 386.454 6.355 50 40 GKGB N#CC(C(=O)c1cc(-c2ccccc2)nc2ccccc12)=C1Nc2ccccc2N1 4076636 UQEVOOTUTYWJIB-UHFFFAOYSA-N 388.430 5.357 50 40 GKGB CC/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 13144117 OOWQABYECCLSJN-PNHLSOANSA-N 386.539 6.066 50 40 GKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(C(C)(C)C)c1O 13895828 KOMRSHKSKBIXGI-SFQUDFHCSA-N 376.500 5.533 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1C 408818900 YRWVFGPBAMDBGT-FBTHGLLTSA-N 397.522 5.495 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc2ccccc12 6496627 VLNAIMWPNAWDOY-JWGURIENSA-N 395.889 7.136 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 7351774 WXWGMGFDYLMPFP-LICLKQGHSA-N 398.890 5.300 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3cccc4ccc(C)nc34)n2)c1 12971105 RSNOWCCKGPKTQR-QGOAFFKASA-N 398.491 5.652 50 40 GKGB CCSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 102600231 JPEWOITYMLLDLW-OAHLLOKOSA-N 379.312 6.016 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C 208210697 PGEVYLPHJYKKMQ-GMJSKMFWSA-N 383.923 5.134 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccccc1Cl 408549166 QEHJGUYGFHZAEM-HAHDFKILSA-N 382.894 6.965 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Cl)c2C)c1 408745468 SOXNNCGKSWPHOX-UYRXBGFRSA-N 389.886 5.602 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)cc1 408804049 VHOUSIAYURILGW-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408808541 QBQWOTYTXCEGFP-HMMYKYKNSA-N 382.463 5.567 50 40 GKGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Oc3ccccc3)c2)[C@@H]2CCCC=C12 1065441 GWWULIWUWIAJLT-FYYLOGMGSA-N 392.462 5.073 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1CCc1ccccc1 5409274 PUFWUCYKVVOPCZ-HXUWFJFHSA-N 392.462 5.033 50 40 GKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccccc1 5773806 ZFXIRIRQCDMFSD-OVVQPSECSA-N 394.474 5.112 50 40 GKGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(F)(F)F 16388462 HDIJDLZOSJMKDG-FMIVXFBMSA-N 384.279 5.270 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)c1 2210415 IGBQUZIUFDGBLV-SDNWHVSQSA-N 399.422 5.397 50 40 GKGB CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 2224723 XNMILMNBYHMINO-YZSQISJMSA-N 395.462 5.064 50 40 GKGB COc1cccc(/C(C#N)=C/c2c(-c3ccc(Cl)cc3)nc3cc(C)ccn23)c1 4025049 JWJZXRPLUYXQKR-XMHGGMMESA-N 399.881 6.036 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 33706842 XKXSPLMZTWZMBB-UYRXBGFRSA-N 378.472 5.037 50 40 GKGB O=P(NCC1CCCCC1)(NCC1CCCCC1)NCC1CCCCC1 102130230 UMCSHHJGMJLJAM-UHFFFAOYSA-N 383.561 5.604 50 40 GKGB Cc1ccc(-n2c(C)cc(C(=O)N/N=C3/C[C@H]4CC[C@@]3(C)C4(C)C)c2C)cc1 103461041 UIWMSQYALNPDID-RGQJNFSCSA-N 377.532 5.335 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 408604144 SYOVWIGHNBYLJO-GDNBJRDFSA-N 380.806 5.593 50 40 GKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 409014844 QIFOAAYVKOWBAY-ZOCVZFIWSA-N 399.705 5.588 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1cccc(C(F)(F)F)c1 409236273 GAINGKNVIDVYIF-VBKFSLOCSA-N 382.341 5.258 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1 409386111 LDQLDLAKDDJPIU-XNTDXEJSSA-N 385.345 5.026 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccc(Br)c1 409391867 KBIQRXQCTPTLDW-ZDLGFXPLSA-N 395.275 6.060 50 40 GKGB CC(C)(C)[Si](C)(C)O[C]1C/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1 1560407484 DPOOVBMRBZJAOA-ZFOVBUMHSA-N 385.717 6.033 50 40 GKGB O=C(O)CC[C@H](SS[C@H](CCC(=O)O)c1ccccc1)c1ccccc1 1569985912 JIAUMCISRSSKSK-HDICACEKSA-N 390.526 5.580 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 59410626 ZAECKBYZBJYLHJ-PCLIKHOPSA-N 392.886 5.002 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3C)o2)cc1 252506975 WELJYDVEVABNMJ-FOWTUZBSSA-N 376.843 5.763 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2ccccc2o1 408855481 NMAIBHHIXWEWPL-FOKLQQMPSA-N 399.233 5.764 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)c([N+](=O)[O-])c1 408893853 GIWAGRZBUFMPKQ-ZVHZXABRSA-N 399.406 5.080 50 40 GKGB Cc1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 2283878 NCRQMPYCAXRNSX-RAXLEYEMSA-N 386.307 6.402 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1Cl 4702496 QARKIOXTQNIVBD-AFUMVMLFSA-N 394.902 5.970 50 40 GKGB O=C(N=P(Nc1ccncc1)(c1ccccc1)c1ccccc1)c1ccccc1 98008925 MATUKESOKWAYJG-UHFFFAOYSA-N 397.418 5.101 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccccc1OC 211890770 HQIBUZMLASDMQD-SDXDJHTJSA-N 386.451 5.183 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OC 408579850 KONMBYDFENEYIV-NTUHNPAUSA-N 378.653 5.184 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c3ccccc23)c1 408745336 LVCIFTFUAHIGQL-JXAWBTAJSA-N 386.451 5.183 50 40 GKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl 408778449 GBWOESMXXKAPSE-ZSOIEALJSA-N 375.255 5.246 50 40 GKGB N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1ccc(Cl)cc1Cl 408815831 SLEUDODTFQSYDI-WZUFQYTHSA-N 382.630 5.174 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C/[C@H]3C[C@@H]4C=C[C@H]3C4)c3ccccc3n2)cc1 1015816 MIMQTSZUPNOIGL-ZWTNBSJGSA-N 381.479 5.138 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)c1nc2ccc(F)cc2[nH]1 408569228 MLIVJISZLKMMHR-BOPFTXTBSA-N 387.389 5.484 50 40 GKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1cccc2ccccc12 409233843 UCAPQGFDGJOJKK-YUMHPJSZSA-N 399.469 5.079 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccn2)cc1)c1nc(-c2ccccc2)cs1 40139784 IDYQMDRLVKWFCP-ZHZULCJRSA-N 395.487 5.848 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(F)(F)F)c3)n2)cc1 100839921 MASFKFXXBZMQHL-FOWTUZBSSA-N 399.441 6.368 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C 408586527 CJVJMYZPLFUCTG-AFUMVMLFSA-N 393.918 5.057 50 40 GKGB O=C(CCCCBr)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361271 WBWOZOUVMBYZIB-UHFFFAOYSA-N 377.122 5.472 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccncc1 1820988 POXYBMSNANTCJK-LSFURLLWSA-N 394.645 5.066 50 40 GKGB O=C(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(CCl)cc1 2161631 GFRLSZQYPWXVHV-UHFFFAOYSA-N 382.687 5.682 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 3421549 KXZXERITHAIVOC-LDADJPATSA-N 385.423 5.417 50 40 GKGB N#C/C(=C/C=C\c1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 4567421 ZJDAXVJCZOJZPD-DWFRYJRFSA-N 383.303 6.737 50 40 GKGB CCCCCCN1C=C/C(=C\C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21 4728588 HSJTUNJCDWMTGW-YHARCJFQSA-N 397.522 6.073 50 40 GKGB N#C/C(=C/c1ccc(-n2cncn2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 96993403 OEOSZQISWIRPSX-SXGWCWSVSA-N 389.871 5.108 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccc(F)cc4)cc3)nc2c1 107662917 SLZFTTZWQNZHRR-UYRXBGFRSA-N 383.426 5.654 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3)cc2C(C)=CC1(C)C 208515208 DBNNTXRJYRCSCS-MFKUBSTISA-N 375.516 5.089 50 40 GKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12 408809175 QXCIXDQSAZNUJC-RVDMUPIBSA-N 392.842 5.056 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 5016790 YCPQPSQKNPKAJH-ATVHPVEESA-N 387.395 5.017 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCCOc1cccc(C)c1 26642208 KWMONKQCUSUATJ-HAVVHWLPSA-N 399.490 5.916 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3ccc(Cl)cc3)cc2C(C)=CC1(C)C 208522566 CNWAWCZDMOPZHP-NDENLUEZSA-N 376.931 6.734 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)c1ccc(Cl)cc1 408579663 JGYUXVCYIKHXDP-WOJGMQOQSA-N 398.264 6.776 50 40 GKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 408765952 SCNQWKHFBNSYEG-VBKFSLOCSA-N 390.826 5.348 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12)c1ccccc1 408794681 ATEMUPIWFLRABK-RMDTYCCRSA-N 376.459 5.777 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1 408900413 VOTUHYIJEYKJQY-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OC 409073015 OKDGJOYUEZMXBL-SFQUDFHCSA-N 396.874 5.021 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccccc4F)c3C)[nH]c2c1 409391710 KWWMMLODGCDLBQ-BOPFTXTBSA-N 386.430 5.182 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1cccc2ncccc12 1686802 RNARQPHQPUYPCS-MFKUBSTISA-N 386.326 5.578 50 40 GKGB CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C(C)(C)C)c1O 4950691 XDBFKVJVKIHDDT-ZMOGYAJESA-N 386.923 5.405 50 40 GKGB N#C/C(=C\c1ccc2ccccc2c1)S(=O)(=O)c1cc(Cl)ccc1Cl 7000259 BWOJACQZXCWFRS-LICLKQGHSA-N 388.275 5.485 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4s3)c2C)c(C)c1 12559067 KQZCIVNICKZRQU-DEDYPNTBSA-N 383.520 6.385 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)o1 33725987 DQAYMDLAGKZART-UVTDQMKNSA-N 378.815 5.160 50 40 GKGB CCO[P@@](C)(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 103439836 LZHXZBGBLSETHX-RUZDIDTESA-N 383.368 5.024 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc21 208203992 IKSBHDHINPJBOU-MOROIOLQSA-N 385.511 5.326 50 40 GKGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408865977 FOWBQDRYDFHMPM-MKMNVTDBSA-N 375.255 5.246 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C 408987449 BAUWVPJNFLZYCV-YUMHPJSZSA-N 395.506 5.628 50 40 GKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2cccc(F)c2)c1C 409394303 YIEUQCXLWPJCSS-ZDLGFXPLSA-N 380.850 5.959 50 40 GKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)cc1 948743 BHQVGANVZBISRI-RCCKNPSSSA-N 396.446 5.068 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 1865325 HXYSDOQNUIDUEV-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](Cl)c1ccccc1 3269781 RUAYRFOIOHQJFR-SFHVURJKSA-N 399.899 5.510 50 40 GKGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C 6043975 XAHLRQPCDXJKMG-BOPFTXTBSA-N 397.881 5.242 50 40 GKGB C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccccc1 14923805 DXETWKWSVGGLPI-XIEYBQDHSA-N 380.532 5.320 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 252505981 VUOQQAPVDBSPHH-GZTJUZNOSA-N 376.843 5.763 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc2ccccc2c1 408548635 KCJLZAMUMGWPBV-YSMPRRRNSA-N 386.454 6.355 50 40 GKGB N#C/C(=C/c1c[nH]c2ccc(Br)cc12)c1nc2ccc(F)cc2[nH]1 408569835 QKNHXWQHKYYWFC-YHYXMXQVSA-N 381.208 5.010 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc12 408735035 MPBFMYFAWGVQQM-GHRIWEEISA-N 390.870 5.746 50 40 GKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1ccccc1 409045812 HSVDHCJTODFYPB-YBFXNURJSA-N 380.274 6.637 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc2ccccc12 6496613 YCIZVTJRVHVAHS-JXAWBTAJSA-N 389.376 7.183 50 40 GKGB CC/C(=N/NC(=O)[C@@H](C)Oc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 17079427 CFABYVZREYHJLH-XIFCBVLRSA-N 388.939 5.206 50 40 GKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 20198189 YTCSGQWKGNGMPG-LFVJCYFKSA-N 381.520 5.163 50 40 GKGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3\C[C@@H](C)CC(C)(C)C3)cc12 34781748 WBQFPATWWIQBPX-LIIAEISMSA-N 394.544 5.327 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(N(C)C)cc3)n2)cc1 36370338 XMRMSFYQSSYEAB-STZFKDTASA-N 387.552 6.139 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(F)cc1 59137155 VNYABLKZQPVCRV-ATVHPVEESA-N 393.849 5.432 50 40 GKGB CC(C)=C1[C@H]2c3c(F)c(F)c(F)c(F)c3[C@@H]1[C@H]1[C@@H](Cl)C=C[C@@H](Cl)[C@H]21 104292108 CCWKSRTXLNRHSM-HUCPFDPDSA-N 377.208 5.791 50 40 GKGB C[Si](C#CCSc1ccccc1)(C#CCSc1ccccc1)CCl 195820695 ZCFUQRACPKPXAK-UHFFFAOYSA-N 387.045 5.513 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)c(C)c1 408601635 LBFXTPOLEADOOS-XNTDXEJSSA-N 378.378 5.387 50 40 GKGB CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2CCCCCCC2)cc1 408948734 DMFMPIRXJPCWLS-UHFFFAOYSA-N 392.543 5.608 50 40 GKGB N#CC(C#N)=Cc1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1 409273938 AMCLRFJLVOAJTB-UHFFFAOYSA-N 398.369 5.337 50 40 GKGB Cc1ccc(Cn2cc(/C=C(\C#N)c3cccc4ccccc34)c3ccccc32)cc1 6415384 XNMWQSISYQLVLF-JJIBRWJFSA-N 398.509 7.215 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1OCc1ccccc1Cl 6474602 SGLWFDLDKXBRDX-BKUYFWCQSA-N 389.882 6.300 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)cc1 408873106 MZGBJSBFUYVXCD-CJLVFECKSA-N 384.454 5.525 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)c1C 408968246 UYQNKLHCUPTJNY-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 408983799 CQXXPEYTQMFFBA-LICLKQGHSA-N 379.504 5.048 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(C)c4C)c3C)[nH]c2c1 409393663 YWQGXQBPFLMMRL-NDENLUEZSA-N 396.494 5.660 50 40 GKGB C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 4505027 RXIKSWCXUIEGBY-CRXOHRPDSA-N 388.555 5.507 50 40 GKGB CCc1ccc(-c2nc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)sc2C)cc1 4996467 LXMUJCGCWPUWIM-LDADJPATSA-N 375.453 5.653 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C/c2cccs2)nc1-c1ccc(C)cc1 5856128 OVFFOUXIZCCIHV-RVDMUPIBSA-N 379.510 5.593 50 40 GKGB Cc1ccsc1/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 13027811 HGYAZVOLWQSKFD-MDWZMJQESA-N 387.327 6.007 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2[C@@H](C)CC1(C)C 223531502 NQPYPOUSYTYSLH-PKIWBCANSA-N 387.527 5.022 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2C)c1 408761948 ISOUDJJDWYIURS-NDENLUEZSA-N 380.413 6.486 50 40 GKGB COc1ccc(/C(C#N)=C/c2c(-c3ccc(Cl)cc3)nc3c(C)cccn23)cc1 4025045 CXZNUFZGJWRPPZ-XMHGGMMESA-N 399.881 6.036 50 40 GKGB aggregator CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1 17286345 LNNGJHIRMGYVPI-NBVRZTHBSA-N 389.480 5.353 50 40 GKGB ClCCCN(CCCCl)c1ccc(/C=N\c2cccc(Cl)c2)cc1 104138056 SAZYBQIUMXULGA-HAHDFKILSA-N 383.750 6.155 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 408579983 MHUSKUSSOHAVIB-UDWIEESQSA-N 394.301 6.945 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)Cn1cnc2ccccc21 408691592 HENOGVPARHTXEY-MOSHPQCFSA-N 390.446 5.094 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408804785 ZKPTYWKHKXVWNO-HMMYKYKNSA-N 384.479 5.791 50 40 GKGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 3290125 MYKFTKGEVKPANS-RCCKNPSSSA-N 393.446 5.163 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(F)c1 4702472 PLZRTUUGPQEOQO-LSHDLFTRSA-N 377.202 5.156 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 5491131 FMSSQLLAMNNTNH-FOWTUZBSSA-N 399.475 5.304 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)cc1 5632586 VSVCXJPGUWFMPR-ZATLWTINSA-N 392.543 5.241 50 40 GKGB O=C(NNc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2)cc1 6947466 DCWIVSBSVWMKPV-UHFFFAOYSA-N 387.266 5.329 50 40 GKGB CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 8427558 BXCNAQXXUKPYBC-KGENOOAVSA-N 384.505 5.118 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 9201760 LEQRVGVNBFLBOR-DHRITJCHSA-N 396.849 5.130 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(OCC)c3)n2)cc1 44827376 LAYXISXHWBHGGS-GZTJUZNOSA-N 392.480 5.377 50 40 GKGB N[C@H](c1ccccc1)[C@@H](c1ccccc1)P(c1ccccc1)c1ccccc1 100006133 MIPGTOGPLXZBQX-CLJLJLNGSA-N 381.459 5.561 50 40 GKGB COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1C(C)C 408806971 NUCKMICHJJFQJW-LICLKQGHSA-N 382.891 5.635 50 40 GKGB O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cc2cc(Cl)ccc2o1 409017654 GKMVOBJZDAPOFU-OYKKKHCWSA-N 390.826 5.642 50 40 GKGB COc1c(Cl)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br 6735435 MFDQFLARVNQEON-XGICHPGQSA-N 393.624 5.083 50 40 GKGB O=C(Cl)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 57327608 FHDJUXCZXMBSAZ-UHFFFAOYSA-N 387.966 5.760 50 40 GKGB CCCCCCCCCCCCCCCC(=O)NCCSS(C)(=O)=O 72400265 WPEYIPXVPAKKLE-UHFFFAOYSA-N 393.659 5.277 50 40 GKGB in-vitro CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 409016593 DUTAOESGYHQHJG-ZOCVZFIWSA-N 399.705 5.588 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(F)c2)c(Cl)c1 409051972 PEOZBLXCFAPBDC-DHRITJCHSA-N 396.849 5.130 50 40 GKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1ccccc1 409229355 NVIWHUTWTICFNX-KGENOOAVSA-N 395.437 5.374 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 409240094 OIXYBFRNURNIFG-QLENYVDCSA-N 376.843 5.384 50 40 GKGB Cn1c(/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 4815934 DHRKBQZCLOYLTN-SFQUDFHCSA-N 387.527 5.938 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OC(C)C 5750425 QYPDTYMTMFSPKU-RQZCQDPDSA-N 398.890 5.298 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(OC)c1 33542073 QCYAHPTWOQTJIY-LICLKQGHSA-N 376.481 5.508 50 40 GKGB CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 34703998 DUNOUKKAWSZJGU-KGENOOAVSA-N 388.536 6.471 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2C(C)=CC1(C)C 208514278 LNTJSTIYLVBVNN-BKUYFWCQSA-N 399.538 5.871 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(C)C 408734880 LAIRGWIWLRVNPS-RQZCQDPDSA-N 398.890 5.238 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408816577 UCASHZWJYGCJFF-GHRIWEEISA-N 386.838 5.051 50 40 GKGB CCCCOc1ccc(/C=N/NC(=O)c2cc(CCC)nc3ccccc23)cc1 2110091 ZIEWSCLXLFFRBH-KOEQRZSOSA-N 389.499 5.130 50 40 GKGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)c1C 8277334 XAIHJVNJBLXYRO-VBKFSLOCSA-N 388.379 5.014 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccccc34)n2)c(C)c1 17026026 PIKKCQJFPADOFL-XMHGGMMESA-N 381.504 6.557 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc21 208437093 UZGVIVYAAFCVLE-NDENLUEZSA-N 385.511 5.481 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C 408590621 PZPVQSPJVBFLNX-WPWMEQJKSA-N 395.506 5.249 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)cc1 1452673 NHRRBYCEEOMEMG-XDJHFCHBSA-N 384.435 5.423 50 40 GKGB CCc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1C 4957131 MMGKXNVTPWWYJE-GZTJUZNOSA-N 389.480 5.962 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 28495933 UUUUQCKSOZGYES-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 59473723 VAJHVQKZUCMJCH-ZVHZXABRSA-N 394.927 5.705 50 40 GKGB CCCCCCSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 102572796 MJSLDSIINUVJQX-NRFANRHFSA-N 380.557 6.578 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1 107594407 KPUPPNQILNYDAF-LCYFTJDESA-N 395.758 5.481 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1)[C@@H](C)CC(C)(C)N2C 208232643 ZLVAOGICQKSAHN-GYXHFJGISA-N 391.490 5.402 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2C(C)=CC1(C)C 208502562 CUMSSQGXAIPZIM-MOSHPQCFSA-N 385.511 5.563 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccc(Cl)c(Cl)c1 408585757 HZYXQVVPLWNYTD-DHDCSXOGSA-N 384.218 6.016 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1 408586371 BOHBDARONSUQQN-JFLMPSFJSA-N 399.469 5.209 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1Cl 408587368 FPUGYMRNTOLQMV-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)n2)cc1 5517049 JDNAFTMSFTVMOL-XDHOZWIPSA-N 389.480 6.125 50 40 GKGB N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1ccccc1 6496155 XDKYJCAWDVSSFW-OAHLLOKOSA-N 389.307 5.265 50 40 GKGB N#CC(C#N)=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3Cl)cc2)o1 16449822 VBRDJSMCCMISQC-UHFFFAOYSA-N 388.810 5.388 50 40 GKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cccc(Cl)c1 20247357 DGIZQCAMJLLNPE-ZMOGYAJESA-N 392.911 5.293 50 40 GKGB C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)[C@H]1C[C@@H]1c1ccccc1 98055455 ROFUXMCDMXGKFY-KTMBLSSYSA-N 375.497 5.028 50 40 GKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)n1 408975299 ACKDLFAXUKVPNI-VXLYETTFSA-N 392.890 5.117 50 40 GKGB CCCCCCCc1ccc(C(=O)[C@H](Br)CBr)cc1 575357604 SWOSLDOOOHITDV-OAHLLOKOSA-N 390.159 5.541 50 40 GKGB N#CC(C#N)=C(Nc1cccc(F)c1)SCc1ccc(Cl)c(Cl)c1 2324469 WAEWFFJPRQSDKP-UHFFFAOYSA-N 378.259 5.737 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 4115179 CWMOTEGAXGHXPY-BPAFIMBUSA-N 390.918 5.206 50 40 GKGB N#C/C(=C\c1cccc(O)c1)c1nc(C(c2ccccc2)c2ccccc2)no1 8239323 BGQGNGDBSCHSCS-XSFVSMFZSA-N 379.419 5.020 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1Br 9201109 OIJHBKTTWHAUQA-WSDLNYQXSA-N 397.272 5.090 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 15227155 NTLQPGRHRQYJCH-RAXLEYEMSA-N 398.249 5.035 50 40 GKGB Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 103010730 QDWIHNCXGMBVFS-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 103010745 ADCDROLHLOSEBJ-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB CC(C)=C1[C@H]2c3c(F)c(F)c(F)c(F)c3[C@H]1[C@H]1[C@@H](Cl)C=C[C@@H](Cl)[C@H]21 104292117 CCWKSRTXLNRHSM-UMHAWLNWSA-N 377.208 5.791 50 40 GKGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 409363875 OHGWGUQDXISLFA-ZVHZXABRSA-N 380.875 5.164 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(Cl)cc1 409391522 IJQWCLRZLZDUBV-ODLFYWEKSA-N 393.845 6.131 50 40 GKGB O=P(O/C(=C/c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1589413 FFWJDCJFZALZBO-YYADALCUSA-N 396.426 6.130 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl 1881450 ULTZOZLFXVINMQ-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c1 4808454 GNYQJTDNUAKEDU-XDJHFCHBSA-N 389.524 6.274 50 40 GKGB COc1ccccc1C(=O)N/N=C(\C)c1ccc2c(c1)Nc1ccccc1S2 17079505 CDNFMCZNRQCSSE-ZVHZXABRSA-N 389.480 5.057 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)C)cc3)n2)cc1 17314919 NFWAGSJZEAMWQV-XMHGGMMESA-N 389.524 6.309 50 40 GKGB CC(C)(C)OC(=O)NN(Cc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C 98181639 HSHADSHZNAVYKT-UHFFFAOYSA-N 391.295 5.170 50 40 GKGB COc1ccc([C@H]2CCCCN(C(=O)CCCC[C@@H]3CCSS3)C2)cc1 206885318 SBQKXCNYEREHNZ-AZUAARDMSA-N 393.618 5.505 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)cc1Cl 408793630 FYACKEKGGPNDQU-RVDMUPIBSA-N 394.883 5.938 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 409045066 YACWVASFPIJMQY-CXUHLZMHSA-N 389.282 5.006 50 40 GKGB CC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C(=O)CCC[C@]21C 504280268 SSBPDZGZFAVZPC-JCUDRXCFSA-N 394.716 7.379 50 40 GKGB CSc1ccccc1NC(=S)P(=O)(c1ccccc1)c1ccccc1 2561327 FNAVGALZCUZUDF-UHFFFAOYSA-N 383.478 5.119 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 4174932 JGYLXQHYUZTYGC-AQTBWJFISA-N 378.472 6.192 50 40 GKGB O=C(Cc1cccs1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 5716388 HUQGQUFPTHTRQE-KEBDBYFISA-N 379.268 5.008 50 40 GKGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCC(C)C)cc2)cc1 6481257 JCKBSEVZNNVMLE-XLNRJJMWSA-N 390.527 6.000 50 40 GKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccccc3)c2)cc1C 108054766 UROBVOYHEAVHOR-HYARGMPZSA-N 382.463 5.385 50 40 GKGB CCCC[Sn](CCCC)(CCCC)OC(=O)CCl 195999136 VULBAORKCQWGGB-UHFFFAOYSA-M 383.548 5.114 50 40 GKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 408806657 ATJAZOFTROCMOE-CJLVFECKSA-N 395.889 7.136 50 40 GKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1 408817774 WGOCMAWOZNXNQB-HRSSBTCLSA-N 392.474 5.007 50 40 GKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1cc2ccccc2o1 408846266 JCHCOZZSZXHUIO-UUYOSTAYSA-N 396.855 5.594 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1Cl 409054948 WQOVWJORYVKPNR-DHRITJCHSA-N 396.849 5.130 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(C#N)cc1 409368247 QEKLFIUFADOWFN-DHDCSXOGSA-N 375.771 5.444 50 40 GKGB CCc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@@H]32)cc1 4631653 GFIZBGUBQNMXKW-XQBPLPMBSA-N 384.527 5.115 50 40 GKGB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCBr)ccc12 6759189 WOPGTSPASVDZFM-UHFFFAOYSA-N 393.664 5.196 50 40 GKGB biogenic Cc1ccsc1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 40912263 INYKIAOXJPZFRY-YDZHTSKRSA-N 386.561 5.299 50 40 GKGB Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/C=C/c3ccccc3)cc1)C2 59501509 FROKPBWLPYNKRR-RBPSKNBOSA-N 395.506 5.253 50 40 GKGB Cc1ccc(S[C@@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1 100019300 ZZYZSNODVVFFFR-AFYVEPGGSA-N 388.374 5.124 50 40 GKGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1C(C)C 408775641 JJQIVJDLIDYVDK-ODLFYWEKSA-N 392.499 5.460 50 40 GKGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408787509 BBQXITPZZJEWFU-JLHYYAGUSA-N 390.270 5.122 50 40 GKGB Cc1ccc2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)NCc3ccccc3)c2c1 409001920 XZDTXSQRTMBARM-QNGOZBTKSA-N 391.474 5.367 50 40 GKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)o1 1112914 NHTNPMQWLHHSOM-GXDHUFHOSA-N 380.787 5.581 50 40 GKGB COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 4897539 VZXGKYJXBRQUFR-WPWMEQJKSA-N 395.462 5.064 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3Cl)cc2[C@@H](C)CC1(C)C 223573167 HUBYULWZNSDXJS-MMDHUZEPSA-N 397.950 5.524 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Br)cc1 408534337 VFRNCZVUGWVEHE-LFIBNONCSA-N 390.708 6.346 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1 408801607 WHVRHWNSBYYWAD-WKSXIXGESA-N 384.479 5.413 50 40 GKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccccc1 409044201 UFSCWUNQGRCOAG-CPNJWEJPSA-N 388.854 5.422 50 40 GKGB CCOc1cc(Cl)c(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OCC 409391881 LYLMQWRVQLGMPN-ZSOIEALJSA-N 397.862 5.086 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)cc1 1298763 MLZFDJSPNLHFDY-QGOAFFKASA-N 399.475 5.455 50 40 GKGB CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(Cl)cc1 3218817 XDMUKDKMRZEPAB-UHFFFAOYSA-N 389.911 6.555 50 40 GKGB O=C/C(=C/Nc1c2ccccc2nc2ccccc12)c1nc2cc(Cl)ccc2o1 100929689 WXMGVBWGXMNBFI-OWBHPGMISA-N 399.837 5.835 50 40 GKGB N#C/C(=C/c1cc(Br)c(Br)o1)c1cccc(Cl)c1 197735495 UHZPRXBJPRMJKY-UITAMQMPSA-N 387.458 5.522 50 40 GKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc2ccccc2c1 408553079 WXZBULIUSHPEBP-RGEXLXHISA-N 393.471 6.524 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccccc1Cl 408727168 YQVZPKZGNFIWGJ-MOSHPQCFSA-N 375.855 5.992 50 40 GKGB Cc1ccccc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408756721 UEDFUWKRUUXHIK-WGOQTCKBSA-N 394.559 5.379 50 40 GKGB Cc1cccc(Cn2cc(/C=N\NC(=O)Nc3ccccc3)c3ccccc32)c1 408993019 BKAVNPLUXASWTD-MYYYXRDXSA-N 382.467 5.154 50 40 GKGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccsc2)C2=C1CCCC2=O 1031670 UWNJDUIFNBUBBK-LJQANCHMSA-N 395.915 5.015 50 40 GKGB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H](Cl)c1ccccc1 3268202 YBLDOBGHJATNJD-OAHLLOKOSA-N 397.714 6.036 50 40 GKGB Cc1cccc(Cn2cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c3ccccc32)c1 4738892 QACQAAACMQWDKK-ZHZULCJRSA-N 388.474 5.939 50 40 GKGB CC(/C=C\c1ccccc1)=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 33685343 RVSSFADLPULGQQ-AIHSCRRRSA-N 391.474 5.721 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1 35332170 QBYLOXYBTFYXII-QGOAFFKASA-N 375.859 5.293 50 40 GKGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc2ccccc2c1 408765348 LEWKVYAIKQFRJG-GZTJUZNOSA-N 377.241 5.148 50 40 GKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1 408817786 WGOCMAWOZNXNQB-YYRYIWNISA-N 392.474 5.007 50 40 GKGB O=C(Cc1ccccc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409069571 LPJYMLVFPOEXFS-HZHRSRAPSA-N 380.900 5.184 50 40 GKGB O=P(O/C(=C\c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1589414 FFWJDCJFZALZBO-QLYXXIJNSA-N 396.426 6.130 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 1912794 IVDIXECNQGBXKR-OQKWZONESA-N 383.447 5.655 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C3\CCC[C@H](C)C3)c3ccccc3n2)cc1C 6215836 UGOVPYFMZMRPLX-DFIGIENVSA-N 385.511 5.815 50 40 GKGB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)[C@H](Cl)c1ccccc1 41091566 UFJMZKHCZKLKNC-GOSISDBHSA-N 377.831 5.117 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)o2)cc1 59137886 OHZSVIKRMIKPBU-AQTBWJFISA-N 388.492 5.902 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCC 408567313 LLKMHXUCULFYJP-MFOYZWKCSA-N 397.272 5.182 50 40 GKGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl 408579542 HNEJWYNTROMGOL-WOJGMQOQSA-N 380.274 6.637 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c1 408746018 QFXZVPUKUZFXRJ-HAHDFKILSA-N 397.522 6.072 50 40 GKGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408865533 CYZSGOYLICDYJS-MKMNVTDBSA-N 375.255 5.246 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3)cc21 208457795 MZLDKUGIHBOJGA-ZMOGYAJESA-N 381.907 5.044 50 40 GKGB CC(C)c1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(C(C)C)c1O 408855379 MEVYAZKUXLCIOK-CVKSISIWSA-N 388.511 5.485 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 408985784 NGLPXAVBFQJYLD-LDADJPATSA-N 390.527 5.841 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=S)Nc1ccccc1 944604 HFOHYFCTXZSPIQ-JLHYYAGUSA-N 399.302 6.600 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 5698327 KUXIHYSCXWUIQD-QGOAFFKASA-N 399.406 5.241 50 40 GKGB N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@@H]1c1ccc(F)cc1 6496718 MVBNDTJMCVJAGQ-HXUWFJFHSA-N 388.467 5.251 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccn1 7155316 GWZZJAKGOAVJPI-FMIVXFBMSA-N 396.200 5.076 50 40 GKGB Cc1nc(-c2ccc(CNC(=O)CCCC[C@@H]3CCSS3)s2)cs1 25396088 RNLJOTVPMGPVKL-CYBMUJFWSA-N 398.644 5.510 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 108043091 DFNRMACLCGJSGH-QINSGFPZSA-N 394.228 5.212 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(C)cc3)cc21 208466605 RNQGYOJYIFSTSO-ZMOGYAJESA-N 381.907 5.044 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1C 408805332 ACSMDWNAOLIMRL-IHIFYXDESA-N 389.543 5.313 50 40 GKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3cccc4ccccc34)cc2)c1 409310386 AZEAHLMDVSZYAB-ULJHMMPZSA-N 375.471 6.791 50 40 GKGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 4714664 NBENZGTXVPTOSJ-XUANBZSPSA-N 384.504 5.624 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1 14134316 SOPFLMPLKJQBDB-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 58822991 GXDWXYFTRBJIAH-AFUMVMLFSA-N 387.870 5.107 50 40 GKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3cc(C)ccc3C)c2)cc1 59201268 MXZWYOODMIOMFY-UCQKPKSFSA-N 396.490 5.737 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2[C@H](C)CC1(C)C 208312793 OWIBFCHBAZWLTP-FRQJIFLKSA-N 397.950 5.524 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2C(C)=CC1(C)C 208524230 IUPQYUMODCWDNV-BKUYFWCQSA-N 399.538 5.871 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc(F)cc1)[C@H](C)CC(C)(C)N2C(C)C 223590911 AHCTUBNXJLCZNY-OXVLKEGXSA-N 395.522 5.399 50 40 GKGB COc1cc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1C 408973015 XHENTXNNXAXSIU-NKVSQWTQSA-N 393.295 5.289 50 40 GKGB CC(C)(C)[Si](C)(C)O[C]1C/C(=C/CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1 1560407481 DPOOVBMRBZJAOA-ABPVARSCSA-N 385.717 6.033 50 40 GKGB O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@H](Cl)c1ccccc1 3346407 NLFOJLAPITXLOW-MRXNPFEDSA-N 377.296 5.306 50 40 GKGB Cn1c(C(=O)NN=C(c2ccccc2)c2ccccc2)cc2cc(Cl)ccc21 4675539 HWXKLUSYLMMVCD-UHFFFAOYSA-N 387.870 5.014 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc2ccccc2c1 104103230 ZVAPBNNPCVRYTP-XYGWBWBKSA-N 385.338 6.183 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccc(F)cc2[nH]1 408568578 KMSDISXSHOVBHE-YVLHZVERSA-N 387.389 5.484 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 408762229 DHTPFLIGPBVBKP-HAHDFKILSA-N 397.522 5.819 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408963716 AKZIXDVMYMVDQT-WGOQTCKBSA-N 387.527 5.464 50 40 GKGB N#C/C(=C/c1cccc(Br)c1)c1nc(-c2ccc(F)cc2)cs1 4174985 RTEYRVRUGHJMPM-ZSOIEALJSA-N 385.261 5.776 50 40 GKGB C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c2ccccc21 5737047 YRTRAERQGZTCDO-SDXDJHTJSA-N 385.467 5.080 50 40 GKGB COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 17053247 XKUFHNNUPMSYKM-LDADJPATSA-N 389.480 5.190 50 40 GKGB N#C/C(=C\c1csc(-c2ccsc2)n1)c1nc(-c2ccccn2)cs1 96310747 JXJKYILOJKWZIG-NTUHNPAUSA-N 378.507 5.454 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 409009801 CBOFHRRZOOPKQV-GZQZNAIASA-N 382.891 5.680 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c1 409065230 FFWFGCKPKCXOKG-HYARGMPZSA-N 383.495 5.565 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccc(C)nc34)n2)cc1 1248886 ZUOWOZDFGJXTIS-XSFVSMFZSA-N 396.519 6.206 50 40 GKGB Cl[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@H](Cl)c1ccccc1 1843039 JLEICQIVHNIUFR-XZOQPEGZSA-N 384.350 6.276 50 40 GKGB COc1ccc(/C=C(\C#N)c2ccc(C(=O)c3ccc(OC)cc3)s2)cc1 3048817 XIWBEVVQZRYPCI-GHRIWEEISA-N 375.449 5.060 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)cc1OC 4739637 QNHBBKCHIOTBBM-ZSOIEALJSA-N 376.225 5.060 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])n2)cc1 6306936 YVKGMVWHWWDRCI-UNOMPAQXSA-N 389.480 5.981 50 40 GKGB N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1ccccc1 6496102 XDKYJCAWDVSSFW-HNNXBMFYSA-N 389.307 5.265 50 40 GKGB Cc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)o1 44827458 ZGUPJTRUPBKQAG-NTUHNPAUSA-N 394.839 5.536 50 40 GKGB O=C(c1ccccc1)N(Nc1ccccc1)c1ccc(N=Nc2ccccc2)cc1 245240255 OYXUJHKHIKVGJS-UHFFFAOYSA-N 392.462 6.776 50 40 GKGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1cccc2ccccc12 408726307 LLESARJHIYVKEG-MFKUBSTISA-N 384.504 5.377 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1C 408743516 GISYWPMILHMHMI-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 408747017 XWZKKXBWJXELGQ-SSZFMOIBSA-N 375.859 5.335 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409043849 AWLRGLYZXJJGHM-VCGQDBBLSA-N 396.918 5.195 50 40 GKGB CC/C(=N/NC(=O)[C@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1 4387262 KFSRZZBKEPGRED-UPIHBEMDSA-N 396.534 5.540 50 40 GKGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)c1ccc(Cl)cc1Cl 4676052 QXOIOSRMUDQIIU-GXDHUFHOSA-N 383.234 5.546 50 40 GKGB COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)c1 4794826 PBGOJNHTZZUESF-VBKFSLOCSA-N 391.496 5.421 50 40 GKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6203377 ZKZSFHNSPFCFMV-JXAWBTAJSA-N 393.443 5.100 50 40 GKGB N#CC(C#N)=Cc1ccc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1 16492806 HFXUSHYFLYNYGB-UHFFFAOYSA-N 397.503 5.349 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)c1 28216388 JSHGXBTVOPXIHO-WWJLXRQJSA-N 391.540 5.033 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1 96466474 TYWGSJRWHTVAMJ-AQTBWJFISA-N 379.891 5.184 50 40 GKGB CN(C)c1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1Br 408586493 NFZMDEXUWIXDAU-QPEQYQDCSA-N 396.115 5.886 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)c1C 408604476 USYHYELEZPAJBQ-YBEGLDIGSA-N 394.833 5.902 50 40 GKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)c1 408887158 OMABAMQCMIKIQI-KGENOOAVSA-N 398.462 5.134 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 1912806 YBOIIUOPHITUMK-HAVVHWLPSA-N 397.474 5.963 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1C 4677942 WFVXZAKIZQFGMP-PXLXIMEGSA-N 383.495 5.511 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 5525126 JQWRDTLURLKSCW-NBVRZTHBSA-N 396.462 5.339 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 15012251 UAGOBHXKZWREDJ-ZHZULCJRSA-N 387.458 5.341 50 40 GKGB CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OCC)cc1 17079992 PGDMGZLDXRUAQK-LVZFUZTISA-N 391.515 5.257 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)c1 408801795 BTAAVKHHNXHQHM-MHWRWJLKSA-N 399.288 5.090 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1 408802643 ZSGMORJGSWPBBI-MHWRWJLKSA-N 385.854 5.829 50 40 GKGB Cc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 408848145 QFEGUWYPBGODPN-XYGWBWBKSA-N 383.451 5.118 50 40 GKGB Cc1cc(NC(=O)N/N=C\c2ccc(-c3ccccc3)o2)ccc1Br 408905274 WLMYOVIOWXWOAB-MTJSOVHGSA-N 398.260 5.173 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)c1 408936502 KPOCFZCOKHDMGH-MOSHPQCFSA-N 386.426 5.259 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc21 208202872 DGEZBCLGFJISCY-GZQZNAIASA-N 395.344 6.235 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)CCc3ccccc3)cc21 208247935 UNXOHWGUWINPBO-GMQKBEEJSA-N 397.950 5.145 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408725603 MOONGCVCXJJICZ-NQIKBFIPSA-N 391.298 5.530 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(F)cc2)c1C 408845316 MALOCOZAALFCDU-QFEZKATASA-N 392.478 5.260 50 40 GKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 409120606 UPVSPZMZOWHMKM-WWJLXRQJSA-N 391.540 5.033 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 409361287 RMFFKKMLOMYULM-UNOMPAQXSA-N 390.826 5.891 50 40 GKGB N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc(F)c1 409390609 GCZMUWKHOIWPRT-QNGOZBTKSA-N 397.424 6.761 50 40 GKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccs2)cc(C(C)(C)C)c1O 2776143 COFWPYNYVXMBNL-OEAKJJBVSA-N 386.561 5.132 50 40 GKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 4807968 IZLKEGWLKGKDJI-GHRIWEEISA-N 399.475 5.455 50 40 GKGB C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc2ccccc2c1 4897620 QGXWTYQWBBUPJP-JVWAILMASA-N 379.463 5.419 50 40 GKGB N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc(F)cc2)cs1 5031280 FCXPIYZCXZISRG-JLHYYAGUSA-N 387.386 5.527 50 40 GKGB CCCCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2o1 35084748 VGZQJWGZGQTANC-RVDMUPIBSA-N 397.272 5.833 50 40 GKGB CCCCCCCCCCCCCCCC[C@H](Br)C(=O)OCC 100306517 XWNFINQDWGXIOT-IBGZPJMESA-N 391.434 7.184 50 40 GKGB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](OC(=O)C(Cl)Cl)CC[C@]3(C)[C@H]1CC2 118925364 WQWFFYCDRORWHD-JBQOJDCNSA-N 385.375 6.055 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Cl 408583978 ZBTBOHPAKIHYLP-OVCLIPMQSA-N 390.266 5.640 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408784052 RXYLSIIRDOBKLZ-ZDLGFXPLSA-N 377.831 5.720 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc21 223480977 YWSNCGBQTMQSER-MOSHPQCFSA-N 385.511 5.643 50 40 GKGB COc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226327493 RXOAWSUKHNEHPT-UHFFFAOYSA-N 380.054 5.613 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 408538463 NFPZOUHJCKOFNY-LVZFUZTISA-N 392.499 5.677 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)cc1 408787839 ABWLQFYBRUSQKR-RGEXLXHISA-N 377.488 5.164 50 40 GKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408804863 ZTVIWARCGAWPID-UGDAACAMSA-N 396.575 5.589 50 40 GKGB C=CCn1c(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc21 408859220 NDVWZYIDMQVIJG-SFQUDFHCSA-N 389.886 5.643 50 40 GKGB CCn1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 659644 SZNCZUXIWJOQGY-AFUMVMLFSA-N 381.435 5.325 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1cccc2ccccc12 4351026 RISCCUIHMGRZSI-UHFFFAOYSA-N 393.531 5.555 50 40 GKGB O=C(N/N=C/c1ccc(Br)s1)c1cc2c(ccc3ccccc32)o1 6283492 UAJQFSZSQMCHJO-KEBDBYFISA-N 399.269 5.174 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 6410952 LZIHDEGIQPLOSZ-SFQUDFHCSA-N 398.890 5.382 50 40 GKGB O=C(N/N=C\c1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 31647585 DDOJVMQCMWJWBI-MYYYXRDXSA-N 385.854 5.319 50 40 GKGB Cc1sc(NC(=O)[C@@H](Cl)Oc2ccc(Cl)cc2Cl)c(C#N)c1C 41091574 OWIQFSNAXMLTGT-ZDUSSCGKSA-N 389.691 5.126 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Br)cc1 408532676 QSQJQKIHMXOPCY-NBVRZTHBSA-N 392.296 6.455 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 408745795 VQGPZOKVURTMMZ-BOPFTXTBSA-N 387.395 5.017 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl 408788111 BCUSRMBNUJVHOH-OVCLIPMQSA-N 389.282 5.555 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c1 409238393 ZIWQVBLJQBAKNB-ORQKMDSUSA-N 397.522 5.495 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCC 409393489 XTHITVSPRFFWOQ-ZSOIEALJSA-N 397.862 5.086 50 40 GKGB O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)NN=C1CCCCC1 947998 CUOHZQKVXQUBMH-UHFFFAOYSA-N 386.499 5.044 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ccccc2)o1 1211304 UASDTSCOTKEVPK-NTCAYCPXSA-N 394.883 5.938 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc2ccccc12 4194392 UFWKHEQNCCYCCB-DTQAZKPQSA-N 390.269 7.471 50 40 GKGB O=C(Cn1c(NCCCl)nc2ccccc21)c1ccc(-c2ccccc2)cc1 4725907 QKWLXJZWDVNGCH-UHFFFAOYSA-N 389.886 5.237 50 40 GKGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3c(O)ccc4ccccc34)sc2c1 5619153 ZAUDWNICFBAVHB-KSEXSDGBSA-N 394.883 5.486 50 40 GKGB O=C(/C=C/c1nc2ccccc2s1)NNc1c(Cl)cc(Cl)cc1Cl 7783646 PKBHNKYJCKNCFC-AATRIKPKSA-N 398.702 5.413 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nc2ccccc2[nH]1 17186330 YTFNGZLVAIHEOQ-XFXZXTDPSA-N 390.786 5.449 50 40 GKGB CC(=NN=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 301054491 VATKBSNZEQFZGR-UHFFFAOYSA-N 394.458 5.588 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1cccc2ccccc12 409337113 XAFAOWBSRWOWOD-VKAVYKQESA-N 389.376 7.183 50 40 GKGB COc1cc(/N=N/c2ccc(C(=O)O)cc2)ccc1N(CCCl)CCCl 4773886 SANISQYYUHDHMW-QURGRASLSA-N 396.274 5.093 50 40 GKGB N#CC(C#N)=C/C=C/C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1 28628025 HCQJGPBMJSVZOT-VGOFMYFVSA-N 388.470 6.479 50 40 GKGB N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1ccc(OCCCF)cc1 100418648 IJVDTAQAZQUQFU-CZIZESTLSA-N 388.442 6.194 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(F)c3)cc2[C@H](C)CC1(C)C 208321416 IHIRNOBACUQTTK-FRQJIFLKSA-N 381.495 5.010 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 408602476 OKSTWHVEAGHTPO-MHWRWJLKSA-N 399.288 5.030 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 409366869 ZRYIGNMQHGJKCH-ODLFYWEKSA-N 380.274 6.637 50 40 GKGB Cc1cc(C)c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)c1 2158009 PLSIBXNVQWJDBL-BOPFTXTBSA-N 390.468 5.620 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccc(F)cc3)[nH]c2c1 33409102 JZOQUJNABDVFIF-UYRXBGFRSA-N 383.426 5.654 50 40 GKGB CCCCCCCCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1 100956332 YQPHIILIKPPCNN-YYADALCUSA-N 378.560 6.725 50 40 GKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(C(C)C)cc1 408813925 FCPKDXUVIBNBKJ-YSMPRRRNSA-N 399.494 5.728 50 40 GKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccc(F)cc1 408868100 LJRVWQHUYRDDIN-XMHGGMMESA-N 390.845 5.616 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1 852975 ZNKUNGLKKQTSRH-JLHYYAGUSA-N 383.234 5.799 50 40 GKGB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC=CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 4025874 NJHIQSIODLRTDP-ZIKOAINVSA-N 391.559 5.376 50 40 GKGB biogenic CCc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 4147472 RLYSQPALABTSOQ-WOJGMQOQSA-N 376.481 5.454 50 40 GKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1 6845480 PYKALNIKPJIUIB-YZSQISJMSA-N 388.511 5.229 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C 9201516 WOGWQBNEQFUNTE-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 33339753 QNULPGPRFNFQNG-UVTDQMKNSA-N 375.255 5.326 50 40 GKGB COc1cc(F)c(Oc2ccccc2)cc1/C=C(/C#N)c1ccc2ccccc2c1 408549849 AFOUIKKXRNSZKM-HMAPJEAMSA-N 395.433 6.844 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Cl)c1 408599415 ULHJCLZUGUJJKG-UNOMPAQXSA-N 390.826 5.891 50 40 GKGB Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 408730230 PETXXZHGPYLTBF-XSFVSMFZSA-N 383.882 6.111 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 409022447 OFWXFSGGQOAEJD-CIAFOILYSA-N 386.929 5.625 50 40 GKGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 4663315 KHBXMMBVKGWBQV-RVDMUPIBSA-N 386.282 5.139 50 40 GKGB N#C/C(=C\c1cc(Br)c(Br)o1)c1ccc(Cl)cc1 4690955 VZLZCQUXHUQKOF-WEVVVXLNSA-N 387.458 5.522 50 40 GKGB N#CC(=C\c1ccc(Cl)cc1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 4953780 GSSWYHMGWZPOSF-YRNVUSSQSA-N 395.724 5.462 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2O)cc1 408579912 LIQRRPKRSLISJY-AWNIVKPZSA-N 393.078 5.290 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)o1 409245980 BZLSOXIRNHSMHF-JIHKLPAASA-N 390.870 5.693 50 40 GKGB Cc1c(/C=N/NC(=O)c2sc3ccccc3c2Cl)c2ccccc2n1C 2309445 SKJBYYKTKANORL-SSDVNMTOSA-N 381.888 5.119 50 40 GKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@@H]2Br 4185012 OSCXACVZPRKXIO-WQVCFCJDSA-N 391.136 5.522 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc2ccccc2[nH]1 33926856 UBUCCDRFSOZMKS-KAMYIIQDSA-N 379.341 5.906 50 40 GKGB CCOP(=O)(CCCCCCCCCCCCBr)OCC 36424506 LBZCVVYKOAEEAR-UHFFFAOYSA-N 385.323 6.548 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2ccccc2c1 408550104 DOMRRAHZSYECPN-ZHZULCJRSA-N 389.376 7.183 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408793590 FVBGLDWPXARAQH-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(Cl)cc1 408846298 IJGADPWDLZTPJR-LCYFTJDESA-N 377.669 5.360 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 409375096 FMWVELZAXUBKHA-MLJKTZRHSA-N 381.863 5.466 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 948311 BDBFAKGNLUHCEU-LZNAANCOSA-N 389.524 5.414 50 40 GKGB CCC/C(=N\NC(=O)C(O)(C1CCCCC1)C1CCCCC1)c1ccccc1 4852031 UARITHXIFKBAOW-YYDJUVGSSA-N 384.564 5.199 50 40 GKGB CCc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 4957129 JOTDUAGISIULOL-GZTJUZNOSA-N 375.453 5.653 50 40 GKGB CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1Br 4994993 OSRNGLIANLPSEE-LCYFTJDESA-N 384.302 5.189 50 40 GKGB CC1(C)C=C([C@@H](Br)c2cccc(Cl)c2)C(=O)c2ccccc21 5459936 BXBHEAJZGKXYOA-KRWDZBQOSA-N 375.693 5.877 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C 7164376 LCWPHCDAERJGBB-SFQUDFHCSA-N 387.395 5.017 50 40 GKGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 12859442 ZVHFZLZRYHLCMO-WYMPLXKRSA-N 396.874 5.054 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NC1CCCCC1 13382085 JLMHEFUEAPPNCR-QBFSEMIESA-N 389.282 5.609 50 40 GKGB CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 33350564 ZEHYFHAAMPKBQD-ONUIUJJFSA-N 395.462 5.064 50 40 GKGB CC(C)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2[nH]1 42227148 HVCUZEMPAJWDFH-RDTXWAMCSA-N 377.579 5.090 50 40 GKGB biogenic N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)c1ccc(Cl)cc1Cl 408580599 PWDIOPVWWIGUTI-VZUCSPMQSA-N 382.630 5.174 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1 408691883 VYVYRRKFMXUKMM-ZHZULCJRSA-N 396.494 5.450 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)cc1 408752341 HWYRKTKLTVPJHD-ZVHZXABRSA-N 379.891 5.074 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 5745936 CIIFAYSJYVOSFY-XNTDXEJSSA-N 397.261 6.108 50 40 GKGB Cc1cc(-c2ccc(/C=C(\C#N)c3cccc4ccccc34)o2)c([N+](=O)[O-])cc1C 6456237 VRKQAPDAIMQKAM-XMHGGMMESA-N 394.430 6.689 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 33692916 FUZBGWNFKVRUIR-RGEXLXHISA-N 387.891 7.302 50 40 GKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 39884466 UUELKANVPUQGGW-QGOAFFKASA-N 390.870 6.269 50 40 GKGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCc1ccc(Cl)cc1 5560636 GLKWQCBKASUZDP-LDADJPATSA-N 376.843 5.387 50 40 GKGB aggregator N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 7095060 ZAOBWQBVJNJSDI-ZHZULCJRSA-N 379.419 5.662 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc2ccccc2c1 35073693 VJJYHOFERLDOHE-IWIPYMOSSA-N 379.434 6.622 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408579582 IDKDVRDQPZXEPW-NTUHNPAUSA-N 392.669 5.732 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)c1 408598615 GBKCCKWGMKUWSS-DEDYPNTBSA-N 384.508 5.936 50 40 GKGB Cc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 408854554 IEOOWNJSXSPYFG-IMRQLAEWSA-N 393.490 5.525 50 40 GKGB COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 408880353 JLYDTJLVIPOAPB-IFRROFPPSA-N 392.069 5.073 50 40 GKGB N#CC(C#N)=CNc1cc(C(F)(F)F)ccc1Oc1cccc2ccccc12 2549930 OIZQFKQFZYOBET-UHFFFAOYSA-N 379.341 5.994 50 40 GKGB Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4263949 IILAVDTXCSQCKQ-NTEUORMPSA-N 395.871 5.477 50 40 GKGB CCCC/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1 5417460 BIDRUTJBAYJPOF-ZUSYLBMNSA-N 396.534 5.703 50 40 GKGB CCC(C)(C)c1cc2c(O)c(c1)[C@]1(CC(C)(C)c3ccc(O)c1c3)SS2 5964819 OQIHCCMVKXANQT-JOCHJYFZSA-N 386.582 6.464 50 40 GKGB C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(Cl)cc1 12465947 TXRKQHPXQLLQTR-XYGWBWBKSA-N 389.886 5.378 50 40 GKGB COc1ccc(-c2nc3cc(CBr)ccc3o2)cc1Br 226318004 ZCASCTQGHDGNPA-UHFFFAOYSA-N 397.066 5.161 50 40 GKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(CSc3ccccc3)cc2)CC1 408833266 XFKOTUGUSLFWLV-UHFFFAOYSA-N 394.584 6.301 50 40 GKGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1 408950082 DIIOPYNKBJBOCE-VKAVYKQESA-N 381.401 5.626 50 40 GKGB Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1 409212243 OXUAXYCBGYPODZ-QNGOZBTKSA-N 393.446 5.970 50 40 GKGB O=C(CCl)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 3885285 CHKHGJBMVRVZGK-OUCXFHLZSA-N 376.934 5.171 50 40 GKGB CC/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(C)cc1 15938785 DMFXNUUFWYUSAE-CJLVFECKSA-N 399.705 5.265 50 40 GKGB CCOc1cc(/C=C/C#N)cc(Br)c1OCc1ccccc1F 33663164 TWKIIPXCVXJQRD-AATRIKPKSA-N 376.225 5.103 50 40 GKGB C/C(=N/NC(=O)c1cccc(N/N=C(/C)c2ccc(C)cc2)c1)c1ccc(C)cc1 35224917 AGNYTUYUHALFAE-ULLHUXCLSA-N 398.510 5.294 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl 408819170 WXCOHLKGSUXAFV-XNTDXEJSSA-N 389.282 5.636 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)c1 408878802 BVLVRWOBCWZWJJ-RCCKNPSSSA-N 386.882 5.785 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1cccc(C)c1 409390615 GFLHWTLENCVWKT-XKZIYDEJSA-N 387.454 6.176 50 40 GKGB C=CCn1c(C)c(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc21 4704991 ZZQQNGGLBWDMLG-LTGZKZEYSA-N 391.474 5.835 50 40 GKGB CCC/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(C)s1 5792034 YCKMALMCGAZYFC-KGENOOAVSA-N 390.961 6.167 50 40 GKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2[nH]1 39400753 OCFNABARNURAIJ-CYVLTUHYSA-N 387.446 5.480 50 40 GKGB CCCCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 100827881 ONSCKXCCMAFSRJ-OAQYLSRUSA-N 380.557 5.772 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(Cl)cc3)cc21 208237440 WPEDPTNRIBSWFN-KDVQLTRESA-N 385.338 6.780 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc12 408734979 MFHDBSIXBQCJHB-FOWTUZBSSA-N 376.843 5.438 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C 408802816 HSYGMQYJSDWSPX-LFIBNONCSA-N 384.863 5.072 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)c([N+](=O)[O-])c1 408896149 PLBFHCSYYRCLTE-ZVHZXABRSA-N 399.406 5.080 50 40 GKGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccccc1Br 2632732 BISZXTGBGBLRJD-SFQUDFHCSA-N 383.289 5.120 50 40 GKGB COc1cc(/N=N/c2ccccc2C(=O)O)ccc1N(CCCl)CCCl 4773903 FJPCSXLXDDTALC-QURGRASLSA-N 396.274 5.093 50 40 GKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 6570498 RUWXOTKHNPBDQT-FOWTUZBSSA-N 376.441 5.257 50 40 GKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1C 19868996 QBEIFLYGKXMJIL-RAXLEYEMSA-N 384.266 5.339 50 40 GKGB CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 33936242 NFXZDTCVCVBRRP-LXIYXOSZSA-N 396.947 5.267 50 40 GKGB N#CC(=C/c1cnc(-c2ccccc2)nc1)/C(O)=N/c1c(Cl)cccc1Cl 53103168 VDKUWFJVXLLJMY-DHDCSXOGSA-N 395.249 5.646 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)c(Cl)c1 408588962 XMGFFYBSRLSQAR-GZTJUZNOSA-N 382.290 6.998 50 40 GKGB CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 6317690 CIPWWHNYMREXQB-JVWAILMASA-N 394.478 5.184 50 40 GKGB CCCCCCCCOc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 100035096 RSNPBLIAQXMMJX-OQCUBGFDSA-N 378.516 5.855 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1C 408965788 IODICWPLNFXUHM-HAHDFKILSA-N 397.522 5.819 50 40 GKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccccc3Cl)s2)cc1 2329067 LXMKHPOMAOAPHX-GZTJUZNOSA-N 393.899 5.241 50 40 GKGB COc1cc(/N=N/c2cccc(C(=O)O)c2)ccc1N(CCCl)CCCl 4773897 QESPBCZLGMXBOK-QURGRASLSA-N 396.274 5.093 50 40 GKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(C(C)(C)C)cc1 5638665 XFUSNMUZFYADLJ-YDZHTSKRSA-N 384.932 6.006 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)c2C)cc1C 408809268 GRQHZJXUHVWWLM-PPMZMRJGSA-N 389.543 5.313 50 40 GKGB Cc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 1660027 XLYWYUXQXXUCGD-GJZGRUSLSA-N 382.095 5.077 50 40 GKGB N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 4844310 HUWYQUWCRKGQMV-HKWRFOASSA-N 397.478 6.593 50 40 GKGB Cc1sc(/C(C#N)=C/c2ccc(Br)cc2)nc1-c1ccccc1 4996473 WFGCYSVVRHJIHS-LFIBNONCSA-N 381.298 5.945 50 40 GKGB COc1ccc(C(=O)N/N=C2\C=C(c3ccccc3)C[C@@H](c3ccccc3)C2)cc1 5024496 LDRUQIWNRHFCNI-ZQULZTDNSA-N 396.490 5.442 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)c1 6967167 DCQYDCVTOYICPG-CVKSISIWSA-N 381.479 5.070 50 40 GKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 40144520 VHGKRGJDTLQPDH-QGOAFFKASA-N 393.402 5.447 50 40 GKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(C#N)cc1 408570758 YEZOTOPMROARJR-ZDLGFXPLSA-N 381.414 5.045 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)cc1 408796559 ALJYFKOFOPGISD-MHWRWJLKSA-N 399.288 5.090 50 40 GKGB N#C/C(=C\c1cccc(Oc2nc(Cl)ncc2F)c1)c1nc2ccccc2[nH]1 409374331 MNZSULMALOENGT-MDWZMJQESA-N 391.793 5.002 50 40 GKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(-c2ccccc2)cc1 1880007 VHPMWIBFQVULRZ-FSJBWODESA-N 385.250 5.130 50 40 GKGB N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1)Sc1ccccc12 3623980 ZADYWCRTBHOBSL-QGZVFWFLSA-N 397.290 5.132 50 40 GKGB CCSSC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 3925964 RCEOCOMZMSAAFR-OAGDOXAWSA-N 378.603 5.469 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)cc1Cl 9201509 LIVFUYSRYHPGAC-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CC(C)(C)C1=CC2=S(S1)N(c1ccccc1)N=C2/N=N/c1ccccc1 17118465 PWSSXONWUVNJDC-QURGRASLSA-N 380.542 6.552 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(F)c(Br)c1 48290822 WPMLPSJZLBEJCR-GHXNOFRVSA-N 393.643 5.096 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59201131 LOENUVKPRVYTTO-RMKNXTFCSA-N 396.617 5.101 50 40 GKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)c1ccccc1 209631923 ZZGFYMNBDRCFKS-JLPGSUDCSA-N 389.454 6.209 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1C1CCCCC1 408742652 XNAPRCJJOSNKJV-FSJBWODESA-N 392.330 5.681 50 40 GKGB Cc1[nH]c2c(C)cccc2c1/C=N/NC(=O)CSc1cccc2ccccc12 409040045 SGFSVOMRMYHGIT-ZMOGYAJESA-N 387.508 5.180 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCCC 409064165 BXDZDQVMXJMUIC-XSFVSMFZSA-N 390.483 5.067 50 40 GKGB Cc1cccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1 409188246 XSPSLADXWWRLPG-MTJSOVHGSA-N 385.876 5.548 50 40 GKGB CCCCn1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc21 2274376 KLYGEPGBWRNWMT-WGOQTCKBSA-N 399.494 5.367 50 40 GKGB CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1 2281249 KEPNVXHABIFLKY-SAPNQHFASA-N 391.496 5.584 50 40 GKGB Cc1ccc(Cn2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 4675731 NOPKSDYEHPZHAL-KGENOOAVSA-N 393.446 5.970 50 40 GKGB CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 33388200 SFOCYFZQHHWIRZ-AYTKSQBWSA-N 387.612 6.336 50 40 GKGB N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 212111511 HNDIKCFPSYJHTB-XFFZJAGNSA-N 385.172 5.558 50 40 GKGB COC(=O)c1cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c1 258833480 KFRJWEVVZZHQAY-UHFFFAOYSA-N 388.248 6.788 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1 408812077 NNWOTYFOENXPKK-ZHZULCJRSA-N 387.458 5.341 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)CC)c(Cl)c2)cc1 409012877 LHCZLTRQPSQIAX-UHVIJJLKSA-N 398.890 5.462 50 40 GKGB Cc1ccc(C)c(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1 5362767 CXVPGYNAOXIZDT-CVKSISIWSA-N 382.463 5.139 50 40 GKGB CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N 20026775 NFXZDTCVCVBRRP-FHSNZYRGSA-N 396.947 5.267 50 40 GKGB CCn1c(C)c(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21 33546387 VGOKDFXGHDXDRH-NTCAYCPXSA-N 375.522 6.236 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 409214030 WYGJKIYECQFKET-LCYFTJDESA-N 395.758 5.481 50 40 GKGB Cc1ccc([C@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1 639080 ODHPUETVBUGHRO-OAQYLSRUSA-N 384.504 5.420 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4s3)c2C)cc1C 12559069 GZSQYRMQJZEUBR-DEDYPNTBSA-N 383.520 6.385 50 40 GKGB CCCCC[C@H](I)CC(F)(C(F)(F)F)C(F)(F)F 72265605 GSQPSJXGCXEMDW-ZETCQYMHSA-N 394.112 5.593 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc21 208446618 JUUOQHPAXINTMH-NDENLUEZSA-N 385.511 5.481 50 40 GKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccccc1Cl 408570922 ZNJNGXJBFPXUHD-YBEGLDIGSA-N 390.849 5.827 50 40 GKGB C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 409045638 ZXZLKTFODRJCFB-CXUHLZMHSA-N 399.277 5.168 50 40 GKGB CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409236197 DVZNXQUQQZRSHI-YBEGLDIGSA-N 388.389 5.286 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc2ccccc12 2669485 GXGGFVBNKJTBJF-FOWTUZBSSA-N 390.269 7.471 50 40 GKGB CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 2669644 RLNDEAAMZVEOPA-BMRADRMJSA-N 385.891 6.411 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Cl)c1 5799991 HTQWFZNYCZXVFJ-AFUMVMLFSA-N 387.870 5.107 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(C)C)cc3)n2)cc1 6159742 XMRMSFYQSSYEAB-KGENOOAVSA-N 387.552 6.139 50 40 GKGB Cc1sc2nc(/C(C#N)=C\c3ccc(-c4ccccc4)cc3)nc(O)c2c1C 33795465 JSPMOSJFTHYZCO-UNOMPAQXSA-N 383.476 5.745 50 40 GKGB CCc1ccccc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 100159310 IZLKEGWLKGKDJI-LGMDPLHJSA-N 399.475 5.455 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3)cc2[C@H](C)CC1(C)C 208320524 MFWIWWUHWOOGJX-BFTFCADCSA-N 377.532 5.179 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)cc1Cl 408599019 NTWZOCKBLPIPJG-AFUMVMLFSA-N 388.854 5.826 50 40 GKGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc(F)c1 408994801 JGKRDQQUOLYPQA-YSMPRRRNSA-N 385.442 5.150 50 40 GKGB CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 2530859 OREPMMRTKSCBPA-ZCFIWIBFSA-N 380.085 5.203 50 40 GKGB Br[C@@H](c1ccccc1)[C@H](Br)c1ccc2c(c1)OCCO2 4776213 TXBCLVCVSXZVHK-JKSUJKDBSA-N 398.094 5.030 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 4811352 CLFUMIMMCAXGNB-NTUHNPAUSA-N 375.255 6.320 50 40 GKGB c1ccc(CSSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4958396 ZSDAZILPTHZOMS-UHFFFAOYSA-N 398.596 7.560 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 5894158 ONIWBQNMEMKZQR-FSJBWODESA-N 386.282 5.165 50 40 GKGB N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)cs1 13774346 ZEJATNNJZMRULJ-XFXZXTDPSA-N 390.270 6.233 50 40 GKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 59255761 UHNHTINJGODMKG-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB CN(C)c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 408549599 VMYRBYIVXGJRRR-ODLFYWEKSA-N 377.285 5.732 50 40 GKGB N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 408873728 VFDWTQONPKCSDJ-XMHGGMMESA-N 390.845 5.616 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)c(C)c3)c2C)cc1 408930815 CJOKHUXRHCHGFK-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB C[n+]1c(/C=C/c2ccc(N(CCCl)CCCl)cc2)sc2ccccc21 4429350 DRGUZAQHCBKWDV-UHFFFAOYSA-N 392.375 5.180 50 40 GKGB Cc1ccc(C)c(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1C 12843994 ZYPJRWWWNNRDSQ-JFLMPSFJSA-N 396.490 5.447 50 40 GKGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)c1nc2ccccc2s1 33797131 LHFPCVGKWGGGDV-RAXLEYEMSA-N 394.862 5.647 50 40 GKGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 59117447 NOHYIIDONXUAEV-NTEUORMPSA-N 375.255 5.326 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3)cc2C(C)=CC1(C)C 208515545 UXWNSLGTWLRKHS-AFUMVMLFSA-N 395.934 5.434 50 40 GKGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CSc2ccccc2)cc1 408770985 CZWBVWIGEZXXPP-NCELDCMTSA-N 388.536 5.717 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1 408816507 UAGGXNNEMYAJBC-XDHOZWIPSA-N 380.274 6.637 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3Cl)o2)cc1C(=O)O 408850300 KSTGSOFUQKKBGV-ZSOIEALJSA-N 398.245 6.324 50 40 GKGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 409391157 HSPKLIGOIZXEAT-PDGQHHTCSA-N 390.389 5.046 50 40 GKGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1 1084042811 JPCJCONZFCURKW-UHFFFAOYSA-N 396.453 5.221 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc2ccccc12 6962087 OHQHLJHKYPRQSO-JCMHNJIXSA-N 393.446 6.220 50 40 GKGB ClC(Cl)C(Cl)(Cl)SSC(Cl)(Cl)C(Cl)Cl 100352286 JFHJPXSSCMWWLA-UHFFFAOYSA-N 397.818 6.238 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)c1 208209449 XPIZIVTXUZSPBO-HRVJUDJTSA-N 387.527 5.571 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2[C@H](C)CC1(C)C 208310305 QTDIDVVTOUPSLO-UWCCDQBKSA-N 391.490 5.483 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C 223543663 QOLBKGYUHBXWDB-MMDHUZEPSA-N 381.495 5.090 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2[C@@H](C)CC1(C)C 223581852 AWUNJSLUPQNTIP-LSPINASFSA-N 384.527 6.048 50 40 GKGB C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409043878 BCHKYPCJGOIAPE-MDWZMJQESA-N 391.229 5.243 50 40 GKGB C/C(Cc1ccccc1)=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 16701357 XSIWYCDXYRCOQH-OVVQPSECSA-N 379.463 5.250 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C\c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 31875850 VVHOAMGONAKVDI-BOPFTXTBSA-N 393.899 5.795 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc2ccccc2c1 408549713 XLYCKRMENDZFNZ-UNOMPAQXSA-N 399.833 6.516 50 40 GKGB Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccccc1Cl 408691843 UANAERBDNTYLCA-PDGQHHTCSA-N 386.886 5.704 50 40 GKGB N#C/C(=C\Nc1ccccc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4808391 WODCMWRWCKIWLW-FMIVXFBMSA-N 390.270 6.233 50 40 GKGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 5010206 AXRXGKWFUXWQKE-XNTDXEJSSA-N 397.862 5.072 50 40 GKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 6273277 KYTYZNNGBDTNIJ-MNDPQUGUSA-N 378.472 5.200 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)o1 6301699 DFORJKCTCVIWFD-MOSHPQCFSA-N 380.403 6.381 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cccc(Cl)c2)c1C 15018750 FLLCKVRMCMOGCJ-CFRMEGHHSA-N 379.891 5.128 50 40 GKGB CCN1c2cc(C)c(/C=N\NC(=O)Nc3ccccc3)cc2C(C)=CC1(C)C 208522702 ZWWFBUXKNDOGOV-IWIPYMOSSA-N 376.504 5.172 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2[C@H](C)CC1(C)C 260569720 RMARRECBGBDKSK-FRQJIFLKSA-N 397.950 5.605 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408770973 BKPICPDLXMBBNW-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 408982672 DUWMSIQACGJJIZ-PTNGSMBKSA-N 397.261 6.108 50 40 GKGB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 503929923 NWHPXJRIVOPQQQ-YCYBKVRFSA-N 393.575 5.600 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc(Cl)cc1 2849060 PGAKPYYDESQCNC-FYJGNVAPSA-N 393.877 6.279 50 40 GKGB CCCCC[C@@H](NNC(=O)c1cccc(Br)c1)c1ccccc1 4719300 UFPLZQLLVQVMOK-GOSISDBHSA-N 375.310 5.005 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1 148140525 VMFSLKAQIDJIIH-LICLKQGHSA-N 398.890 5.244 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2[C@H](C)CC1(C)C 208312412 XIWZVWDYXIHHEK-OVKKOYPGSA-N 399.538 5.716 50 40 GKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 226333764 YQUHILMXUVBJLF-XBXARRHUSA-N 386.072 5.460 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc2ncccc2c1 408549261 RQCOVYMXFMBSFA-QQXSKIMKSA-N 399.497 6.860 50 40 GKGB COc1ccc(/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 408582659 OPCXYGRSNBTNAE-XSFVSMFZSA-N 398.893 6.416 50 40 GKGB COc1cc2c(cc1OC)[C@@H](Cl)C(c1ccc(Cl)c(Cl)c1)=C2Cl 1617193 RGNHAZPGYSYMHQ-MRXNPFEDSA-N 390.093 6.411 50 40 GKGB CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C(C)/C=C/c2ccccc2)cc1 5245165 PEHAAHUSIZJUKM-DTOBOJDASA-N 394.515 5.228 50 40 GKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccccc1 33591062 COOBSWLACIUXQM-MOSHPQCFSA-N 395.462 5.523 50 40 GKGB CCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC 33770573 SOMIZVOSYDBQQM-PDGQHHTCSA-N 375.472 5.431 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 34702627 ATCIFJFZXLNNSW-LDADJPATSA-N 382.891 5.681 50 40 GKGB C=CCOc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 51093211 ZRKGBQXSROJISZ-GDNBJRDFSA-N 394.272 5.263 50 40 GKGB N#C/C(=C\c1csc(-c2ccsc2)n1)c1nc(O)c2ccc(Cl)cc2n1 96401847 NLKYJNYOZHBFKH-VZUCSPMQSA-N 396.884 5.238 50 40 GKGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@H](C2)C3)[C@H]1CC1(c1ccccc1)c1ccccc1 101461849 FALMDOJBGCVECB-UTHFDEAGSA-N 398.550 5.311 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21 208192104 YVIGRDCTFYCBJC-ZCQLHAAUSA-N 393.918 5.608 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(Cl)c1 4815545 WYVISEDTPZZSEI-FOKLQQMPSA-N 387.266 5.634 50 40 GKGB C=CCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 5585330 SLDNFBISDMPDDK-RGEXLXHISA-N 386.499 5.347 50 40 GKGB CCCCC/C(=N/NC(=O)Cc1c(C)[nH]c2c(C)cccc12)c1ccccc1 18192723 YZGBIHDFEHVUKK-ROMGYVFFSA-N 375.516 5.428 50 40 GKGB Cc1oc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)c(C#N)c1C 28515418 NAPUJOHOSNNFEY-ZDLGFXPLSA-N 381.439 5.116 50 40 GKGB Cc1ccc(Sc2oc(/C=C(\C#N)c3ccccc3)cc2Br)cc1 408909730 IHQWETCZLXJJRH-LFIBNONCSA-N 396.309 6.566 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c2C)cc1 59432994 SNMWLZSOZQMCMJ-HYARGMPZSA-N 383.495 5.565 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=C\C#N 118923058 ULTCYCMQPDCQLQ-KRLSSLROSA-N 397.603 6.391 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 208209410 CTZLEGVTAWGISV-HRVJUDJTSA-N 387.527 5.571 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 408583668 WFHIEXOOWWGBJT-UDWIEESQSA-N 389.426 5.486 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)c1 408753256 FYPRVBSZAQMKLR-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)cc1 409217287 ORGFKQDSVOGBDW-STZFKDTASA-N 399.494 5.265 50 40 GKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]2Br 2666648 HTXXGYQXUWLLDZ-MAZHCROVSA-N 390.243 5.234 50 40 GKGB CCC1=C(C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccccc1F 3671804 QBBXMOFNQCWWKA-UHFFFAOYSA-N 393.306 5.135 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1 5007572 OBVVOPKDTXWFGC-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)c1nc(-c2ccc(F)cc2)cs1 5437335 VECJQMYAQQPVSA-XGICHPGQSA-N 391.254 6.026 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3)n2)cc1 6159743 QZONRQFQZAPUEF-YBFXNURJSA-N 378.928 6.726 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc2ccccc12 6496602 AANVJHYFMQEUQB-JWGURIENSA-N 395.889 7.136 50 40 GKGB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)C(C)(C)CCl 8857217 MCQLUCKWYFZZFZ-UHFFFAOYSA-N 390.858 5.019 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)cc1C 14134586 NUNOTNZHNFFDBN-ZMOGYAJESA-N 380.875 5.218 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59224975 HSUPGBSEPSNNKD-UXBLZVDNSA-N 396.617 5.101 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408809945 LJDYOXLDOVXPRZ-GXDHUFHOSA-N 375.255 5.328 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(OCC)cc2C)cc1 408854658 AUFTUWKFADMNQX-CPNJWEJPSA-N 392.499 5.462 50 40 GKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1C(=O)O 408881861 OVCVLKKKAXVAPE-NBVRZTHBSA-N 392.414 5.237 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCc1ccco1 1091301 RFJGWRHRYIRMSY-XYOKQWHBSA-N 387.222 5.070 50 40 GKGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 408752594 INDGQCGCOAMOMZ-PTNGSMBKSA-N 383.289 5.292 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C 408804002 BROBFGNDMMLRRA-CYZZPVNYSA-N 376.500 5.230 50 40 GKGB CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1 3885667 LECLIAKNHMYRDU-FQEVSTJZSA-N 384.508 5.123 50 40 GKGB O=C(c1ccccc1)[C@H](Cl)[C@H](c1ccccc1)[C@]1(Cl)CCCCC1=O 4770994 VXYDXULHYXNWKC-ZVDOUQERSA-N 375.295 5.381 50 40 GKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(C)C 51103277 ZYFXCTRIUKUVCY-ZDLGFXPLSA-N 375.472 5.287 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)c1nc2cc(C)c(C)cc2[nH]1 408542108 GSQGUYCSRXFCIS-HKWRFOASSA-N 395.506 6.576 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)cc1 409364332 XHBVTKQQMCHZLH-KQWNVCNZSA-N 395.889 7.136 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 2127167 VOSMIMJSQXRDMX-FTJBHMTQSA-N 398.442 5.475 50 40 GKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(OCc2ccccc2)cc1 3090687 WZGYGJNXVLCFAM-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCC(=O)Nc1sc(/C(C#N)=C\[C@H](C)c2ccccc2)nc1-c1ccccc1 4937732 GRGHKBFVLPFRHW-UYPHOHSBSA-N 387.508 5.869 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(C(=O)O)cc1 8377929 UPPIRXDJVZWIFA-WJDWOHSUSA-N 394.224 5.471 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccc1O 12741422 NOMZKLMEBAVMDC-IZZDOVSWSA-N 376.359 5.093 50 40 GKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C3/C[C@H]4CC=C[C@H]34)cc2)cc1 13147003 GRALOGQPOHSRSM-QIQDNZLUSA-N 388.511 5.245 50 40 GKGB Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)C(C)(C)C)cc1 27020711 SXQYFSHWOKACLK-UHFFFAOYSA-N 396.581 6.043 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 59335125 MPXCNMMYDLFTSR-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 100839766 FWLXGBLCRQCLRX-GHRIWEEISA-N 375.497 5.802 50 40 GKGB Clc1cccc(Cl)c1CSSCc1c(Cl)cccc1Cl 2581907 CDRVOBHPRUVIJW-UHFFFAOYSA-N 384.180 7.382 50 40 GKGB C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(C(C)C)cc1 5294868 RNIHLGOKHIZDFD-OBSKASRASA-N 396.534 5.656 50 40 GKGB CCCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1 5584990 PVVUTKIJROXBQZ-CYVLTUHYSA-N 388.515 5.652 50 40 GKGB CC1(C)CC(=O)C2=C(C1)NC(SCc1ccccc1)=C(C#N)[C@@H]2c1ccco1 12250634 LGFZPVCDWVGHHV-HXUWFJFHSA-N 390.508 5.278 50 40 GKGB N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 13042893 UGBCGYXQMNEXRK-FOWTUZBSSA-N 399.435 5.243 50 40 GKGB CC1=C/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC(C)(C)C1 38194519 OUIJYHZHYRMLNS-DIBXZPPDSA-N 383.495 5.754 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)cc1 59137813 JKRZVAAOYNTEAG-VBKFSLOCSA-N 396.309 6.566 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)c1 408995496 AOZFQOBFMGRMIW-UCQKPKSFSA-N 397.522 5.874 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3Cl)n2)c1 6458180 DIMUAJRYJKVRSR-RIYZIHGNSA-N 387.291 6.190 50 40 GKGB O=C(Cl)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226327509 FXBCVIICDHVCGX-UHFFFAOYSA-N 394.479 5.714 50 40 GKGB N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1 408892375 ATMQQVDCNMLUMP-QGOAFFKASA-N 390.389 5.089 50 40 GKGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 664119 PSFMKCCMOHPKKK-IBGZPJMESA-N 388.298 5.058 50 40 GKGB Cc1ccc2nc(-c3ccc(NC(=O)/C(C#N)=C\c4ccccc4)cc3)sc2c1 4866969 RFRJAEVKXUIDSS-RGEXLXHISA-N 395.487 5.817 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 409055409 IOBCZJYDSRKHRC-MDWZMJQESA-N 391.229 5.243 50 40 GKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)o1 921050 LSUYGNHACGTMGL-NTEUORMPSA-N 398.245 6.324 50 40 GKGB Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1ccccc1 5523772 NUNXEBYKBKFGLI-KGENOOAVSA-N 381.504 6.282 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccc(C(=O)O)cc1 6615633 QQMICGPSWNWVQN-MOSHPQCFSA-N 396.421 5.591 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1C 59292096 AQEMPCBICIHWSK-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)c1nc3ccccc3[nH]1)[C@H](C)CC(C)(C)N2C(C)C 223607221 NOSFFZYGTLCUPE-BDBXIWDTSA-N 398.554 6.436 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408583507 VFRCSRLEBNZJPR-DEDYPNTBSA-N 375.855 5.992 50 40 GKGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OCC)c1 408983345 BBRCWFLZYJUYSD-UDWIEESQSA-N 393.483 5.060 50 40 GKGB CCOc1cc(OCC)c(/C=C(/C#N)c2cccc(F)c2)cc1Br 409393864 STDSGVLYQOPYFS-NVNXTCNLSA-N 390.252 5.450 50 40 GKGB S=C=NC(c1ccc(Br)cc1)c1ccc(Br)cc1 1723109 IXTLZDNHQCVNAA-UHFFFAOYSA-N 383.108 5.404 50 40 GKGB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc12 2110172 PBNQKXZCTYYPDS-JFLMPSFJSA-N 399.469 5.209 50 40 GKGB C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(C)cc1C 4373011 SKXMPYYVENNTCF-CCUBOOHYSA-N 382.507 5.150 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59303050 BLTSAHIVOJLXMR-YVLHZVERSA-N 394.833 5.649 50 40 GKGB C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)C)C[C@@H]2C[C@@H]1[C@@H](C)C2(C)C 100756576 OBEDIMGIHQHZOK-MIVHDCIWSA-N 376.537 5.075 50 40 GKGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)c(OCCC)c(C)c2)cc1 216068891 VQSKYPNDSVFGIU-HKOYGPOVSA-N 382.504 5.035 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)c([N+](=O)[O-])c1 408691947 ZLKNBUTZRWKTNC-WJDWOHSUSA-N 384.395 5.120 50 40 GKGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccccc3)c2c1 408772674 GTXRGNOTFMPMLH-JXAWBTAJSA-N 386.451 5.183 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 408965430 HJCKKFHMVCZAER-IVWKQIGUSA-N 398.812 5.300 50 40 GKGB CN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)Nc3ccccc3)ccc21 409143221 WEDACRDUUDVCCX-GHRIWEEISA-N 383.476 5.465 50 40 GKGB CC[C@@H](C)n1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc21 4090753 KBKWGOKTKGXMIZ-PCJMVEANSA-N 391.902 6.120 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3nc4ccccc4s3)o2)c1 5013342 YEUBIAFHVKJBRF-NTCAYCPXSA-N 385.448 5.410 50 40 GKGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 6939966 NZLOBLRKUQAPOY-DHDCSXOGSA-N 376.239 5.042 50 40 GKGB N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8846226 XQWUMHLUJXODRH-IBGZPJMESA-N 398.249 5.054 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1 58822981 QUKRVHNPHUWAKA-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB N#C/C(=C\c1cc(Br)c(Sc2ccccc2)o1)c1ccccc1 409003302 RTCYOARHMLGMEH-RVDMUPIBSA-N 382.282 6.257 50 40 GKGB CC/C(=N/NC(=O)COc1ccc(C)cc1C)c1ccc(-c2ccccc2)cc1 4694198 UHPYTYMMWNFTQC-RWEWTDSWSA-N 386.495 5.280 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C 4814841 WGYCNAMPXZLSDD-LFIBNONCSA-N 376.441 5.312 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1cc2c(ccc3ccccc32)o1 16526112 IQGNSINLXAKAHC-WGARJPEWSA-N 398.393 5.749 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c1 58834337 NYOLPUHGCAAJEH-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1cccc(Cl)c1 408691868 VBDFRAHRGHCMCJ-WQRHYEAKSA-N 386.886 5.704 50 40 GKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 944606 GPSLNTRDFHMDJI-LJQANCHMSA-N 394.858 5.051 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 949396 JWMWDQDBQNGCDR-NTEUORMPSA-N 385.206 6.226 50 40 GKGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cccc2ccccc12 4719781 VXBLTXQBBODIIF-YZSQISJMSA-N 380.447 5.036 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5020855 GWVSNSABDFULPP-RMKNXTFCSA-N 396.617 5.101 50 40 GKGB N#C/C(=C/Nc1sc2c(c1C#N)CCCC2)c1nc2cc(Cl)ccc2o1 5582970 BWQKUTFCUFLGIQ-KHPPLWFESA-N 380.860 5.270 50 40 GKGB CCC1(CC)Cc2ccccc2C(NC(=O)Nc2ccc(OC)cc2)=C1C#N 15841463 LXKTYPOSRLPWHW-UHFFFAOYSA-N 375.472 5.114 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(Sc4ccc(Cl)cc4)o3)[nH]c2c1 33626697 KFTAJIVOPVRBLK-KAMYIIQDSA-N 391.883 6.333 50 40 GKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1F 33752018 YJWKZZXBYJLAGG-AQTBWJFISA-N 386.857 6.546 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1ccc2ccccc2c1 33789626 JMGHBGWQOJQQEM-HKWRFOASSA-N 399.291 6.457 50 40 GKGB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O[Si](C)(C)C 195794038 DVEUJDWURSKKQN-YLJURMDDSA-N 376.657 6.208 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223548841 BYLOPGFIIBUPGG-YNGKYYQNSA-N 387.527 5.733 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c1C 408817071 VATDGFZMJLRALR-QFEZKATASA-N 385.467 5.221 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)c(C)c1 875610 YSZKHFNCAHAXDP-GXDHUFHOSA-N 394.431 5.451 50 40 GKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 9190490 UUBWBKIAMMLWIB-YSRRJJCPSA-N 379.287 5.036 50 40 GKGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(Cl)c1 59249073 JUTYYOMYCWVZRH-LCYFTJDESA-N 377.669 5.360 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 214586455 RNFYSXVDKRRHNG-UVTDQMKNSA-N 397.261 6.108 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21 223487726 OVXBSFZQCQFWQN-UNOMPAQXSA-N 382.511 6.037 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408578949 BZCMYQVIFPGYNM-RGVLZGJSSA-N 377.846 6.431 50 40 GKGB Cc1ccc(/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 408581921 ZXUMUENWQCTPIC-XQNSMLJCSA-N 393.461 6.931 50 40 GKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccs2)cc1 408847493 NDGZRKCXDGZIQH-JLPGSUDCSA-N 385.492 5.278 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OC 409390741 GTRZTDCQRAGVLP-AUWJEWJLSA-N 376.225 5.060 50 40 GKGB O=C(c1ccc(Br)cc1OC(F)(F)F)[C@@H](Cl)c1ccccc1 575362627 MHWOUGYJLNVRKE-ZDUSSCGKSA-N 393.586 5.511 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)cc1 5740450 KMUZKDXINVUGSR-MOSHPQCFSA-N 391.312 6.229 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2C(C)=CC1(C)C 208519190 UYXSNTTWDKUYEP-UNOMPAQXSA-N 382.511 5.957 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1nc2ccc(F)cc2[nH]1 408565780 AHWSHHVZYWGJIP-ODLFYWEKSA-N 394.409 5.217 50 40 GKGB Cc1cccc(COc2ccccc2/C=N/NC(=O)c2ccc(C)c(Cl)c2)c1 409053893 DITAFVNNYYJBRU-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB COc1ccc2c(c1)Sc1ccccc1N2CCN(CCCl)CCCl 1693846 VXWRWNKHXKHLKP-UHFFFAOYSA-N 397.371 5.078 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(N(C)C)cc1 6961699 GNMWIOCJXGDOMT-ZHZULCJRSA-N 386.455 5.133 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1 33781708 ZGTDHTNBVMFPKR-MTJSOVHGSA-N 394.434 5.615 50 40 GKGB CC(C)c1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1 408728211 WTLZKARUNFCGBQ-ZVHZXABRSA-N 376.525 5.347 50 40 GKGB CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 408742349 ABRWKMJHFAMIRK-WJDWOHSUSA-N 399.288 5.030 50 40 GKGB N#CC1=C(SCc2cccc3ccccc23)NC(=O)C[C@H]1c1cccs1 409136880 VIVAWTXGHLBYPV-QGZVFWFLSA-N 376.506 5.173 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 208194325 ZWHBPHIQYWXCAK-VJOZSWGJSA-N 387.527 5.517 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc21 208454119 NHIIFJAOTJNTBZ-MTJSOVHGSA-N 399.538 5.789 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc21 223475609 HXQLWWVGWGLTSM-AFUMVMLFSA-N 395.934 5.514 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2[C@H](C)CC1(C)C 260573765 ZPIPNIPWFSVROE-UEXNTNOUSA-N 384.527 6.128 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)cc1OC 408579409 HATFLNPWZPCJOY-HYARGMPZSA-N 385.463 5.655 50 40 GKGB COc1ccc(-n2cccc2/C=C(/C#N)c2cccc(Br)c2)cc1 408949628 BPXSBHLHIHUEOP-SSZFMOIBSA-N 379.257 5.313 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 409009805 CBOFHRRZOOPKQV-JQFNYASXSA-N 382.891 5.680 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 2805908 ZAVBSFLTLJKBKA-GZTJUZNOSA-N 387.395 5.017 50 40 GKGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 3262000 VIYYPYQIYUCJOF-YZSQISJMSA-N 395.462 5.077 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc2ccccc2[nH]1 4311951 ONDIWUQGHUUZOK-QGOAFFKASA-N 385.854 5.859 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nc(-c2cccs2)cs1 5013978 PDDQGFIMVFFDFR-JLHYYAGUSA-N 378.453 6.335 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 59220120 RQNZXQCVPQDNEF-NTCAYCPXSA-N 396.368 5.820 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 408788892 GFOJFYJIYOHQDU-MHWRWJLKSA-N 399.288 5.010 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1 408818183 XCIVYPSZVQRBOG-GZTJUZNOSA-N 393.849 5.432 50 40 GKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 408995664 KNHGIZRIWSNRLE-FMCGGJTJSA-N 386.282 5.165 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1 409366644 TWKKUVVRGUEUSN-UYRXBGFRSA-N 380.274 6.637 50 40 GKGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1 3329154 UTEFUZKAXNBSQO-CAPFRKAQSA-N 398.462 5.812 50 40 GKGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 4505069 WCBKDJSLNGGLKC-ZJYLBYMWSA-N 386.539 5.849 50 40 GKGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1c(Cl)cccc1Cl 6240160 HOILEEQWDHILJZ-VQHVLOKHSA-N 386.065 5.846 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 59245242 SKKKVTBBULWRBB-STZFKDTASA-N 398.462 5.128 50 40 GKGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2cc(F)c(F)cc2Cl)cc1 59461486 USDJGPBLKACWQM-DHRITJCHSA-N 399.828 5.150 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2[C@@H](C)CC1(C)C 223528989 QTEYAVSCPQCIHO-CICSQNLLSA-N 399.538 5.716 50 40 GKGB C[C@]12CC=CC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@H]12 253501199 NJHIQSIODLRTDP-GTOIASGESA-N 391.559 5.376 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc2c(c1)OCO2 408549685 WYXQCELONALGAE-QRVIBDJDSA-N 392.458 6.040 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408605805 YVIPUCHQBQVPQZ-GDNBJRDFSA-N 380.806 5.593 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)cc1 408744701 MQDBXDDETVXYTN-MOSHPQCFSA-N 386.426 5.259 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NC1CCCC1 409195939 WXKRAKCQRYRXGE-JWGURIENSA-N 396.490 5.385 50 40 GKGB N#CS[C@H](CC(=O)c1ccccc1)[C@H](Nc1ccc(F)cc1)c1ccccc1 5604348 RDCOHIZNJNPQHY-DHIUTWEWSA-N 390.483 5.835 50 40 GKGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)o2)c1C 34702938 UPWKCEUBXBNGEJ-VBKFSLOCSA-N 397.434 5.291 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 59116977 HOQPTTHQIQYLLK-RGEXLXHISA-N 388.854 5.465 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc([N+](=O)[O-])c1 107626213 TVVYYVOGFMODLB-ZROIWOOFSA-N 394.770 5.271 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)[nH]c2c1 409393055 UUQNYFFSHHWLSL-NDENLUEZSA-N 396.494 5.660 50 40 GKGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C1 4523970 HEISGARWPFZAHN-WRGUXLKQSA-N 381.303 5.165 50 40 GKGB N#C/C(=C\c1cccn1-c1ccc(Br)cc1)c1nc2ccccc2[nH]1 4705561 DPZMUGVEIJUHFZ-WYMLVPIESA-N 389.256 5.180 50 40 GKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1c(Cl)cccc1Cl 5531420 RZKDXBQUAQECCN-KTMXNEEYSA-N 387.719 5.278 50 40 GKGB CC1=C(C#N)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 19832224 LDBIPDJQLFOWHU-HSZRJFAPSA-N 384.479 5.606 50 40 GKGB Cc1cccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1 28640879 PNSMNZUZXVFVJF-ZMFRSBBQSA-N 399.416 5.185 50 40 GKGB O=C(N/N=C/c1ccccc1Cl)c1ccc(CSc2ccccc2)cc1 59473736 DMGCKCSQDILUPB-OEAKJJBVSA-N 380.900 5.396 50 40 GKGB CCc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 83317256 DMVQJBMSSTWIME-GHRIWEEISA-N 391.496 5.366 50 40 GKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 97981400 QJJNNURLXSWWIX-JZJYNLBNSA-N 394.490 6.111 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4ccc(C#N)cc4)c3C)nc2c1 107665962 FXPXVDVNGWNMOU-NDENLUEZSA-N 377.451 5.215 50 40 GKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1nc2ccccc2[nH]1 409242453 NQWZEPIVCPZXSS-DEDYPNTBSA-N 392.437 5.769 50 40 GKGB N#CC(C#N)=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)C(F)(F)F 1071174 XOLOGQSABBBYSX-UHFFFAOYSA-N 379.288 5.390 50 40 GKGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c([N+](=O)[O-])c1 4812666 ZWTKIGWONGQCNM-RVDMUPIBSA-N 392.440 5.012 50 40 GKGB CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1cc(C2CC2)nc2ccccc12 18182132 FETYVQWYLDKKEU-DPVRZMGRSA-N 397.522 6.055 50 40 GKGB Cc1ccccc1/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 33677365 UFRSYJPAKPHMCZ-HZHRSRAPSA-N 378.500 6.850 50 40 GKGB N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cc1Cl 48290283 DDKIYIKELMUFKU-XFFZJAGNSA-N 385.172 5.558 50 40 GKGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccc2ccccc2c1 408549424 SORYRQQMBKQQCT-CAOOACKPSA-N 378.225 5.395 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408947902 BPBKDAZDDZRMFG-LHVGKRBTSA-N 396.918 5.195 50 40 GKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 4651818 RJQQBYFEZQWQGG-CPASIEABSA-N 388.433 5.257 50 40 GKGB CC1(C)[C@H](Br)C(=O)C[C@@]2(C)[C@H]3CC[C@@]4(C)CCC[C@@H]4[C@@H]3CC[C@@H]12 5231677 ZPVSFFKADISUJX-SEQKMAIDSA-N 381.398 5.998 50 40 GKGB Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)c(C)c1 5543432 DCXBYRYYVHUBAK-ATVHPVEESA-N 390.870 6.071 50 40 GKGB N#C/C(=C/c1cccc(Cl)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 6496222 MKCKPMKSVSGPIS-BKUYFWCQSA-N 398.918 7.195 50 40 GKGB N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 6615222 KHBXMMBVKGWBQV-PTNGSMBKSA-N 386.282 5.139 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1C(F)(F)F 17080087 HVIIGLAFOJWCHK-XMHGGMMESA-N 392.380 5.918 50 40 GKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc21 223487549 DHTNDWYUYCHGHG-MOSHPQCFSA-N 391.559 5.453 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccccc1 408868528 MVXDUJIMJAPFSK-CPNJWEJPSA-N 390.845 5.616 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc(F)cc1 409022657 NVXXTPVZKGWDRC-SRZZPIQSSA-N 390.892 5.456 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409074245 PMONKKBHYYWHMY-OEAKJJBVSA-N 380.900 5.564 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1ccc(Cl)cc1Cl 409249358 UCYNAZSGDSCGQU-UVTDQMKNSA-N 383.234 5.546 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1 1439421 NVGYKMFOCUZDNV-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc2ccccc2s1 12531962 BHMINWATBQCYAR-SDNWHVSQSA-N 396.393 6.639 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 59248207 OPRDRPAIWQOACK-KAMYIIQDSA-N 382.250 5.330 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1 209491249 BGTVFMHHHHMRPB-KOEQRZSOSA-N 375.471 6.791 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409048249 SAAVSXIDBUSRDE-KPKJPENVSA-N 379.218 5.077 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(F)ccc3C)n2)cc1 4135190 ULLIPEHTJNUIPR-FOWTUZBSSA-N 379.460 5.633 50 40 GKGB Cc1oc2cc(OCCBr)ccc2c(=O)c1-c1ccc(Cl)cc1 6759085 GFVGXDSFFGABFF-UHFFFAOYSA-N 393.664 5.196 50 40 GKGB Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 9202413 OMVLCAJIEIWGPG-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB O=[N+]([O-])c1cccc(/C=N\c2ccc3c(c2)[C@H](Br)c2ccccc2-3)c1 104379399 JMAXOOIYEFBEBJ-CXFFPLRNSA-N 393.240 5.810 50 40 GKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccc(C#N)c1 108066321 ZUHRZVCTXABLOK-FYJGNVAPSA-N 393.877 6.279 50 40 GKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC 209399844 RKWWQAMAOXHEJK-LICLKQGHSA-N 384.273 5.395 50 40 GKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1O[C@H](C)CC 408541959 GENPHQXJIQCKEN-MIQLPHMESA-N 389.499 5.820 50 40 GKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)c(Cl)c1 408739429 BVBBEVAOCRLYAQ-AFUMVMLFSA-N 393.918 5.635 50 40 GKGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1 409120620 USJUFGKNCUJLIL-JJIBRWJFSA-N 390.508 5.420 50 40 GKGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1Cl 4699789 NUIIMPVBYJVCQV-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1 33409021 QRWQJGRRWZMCGY-PDGQHHTCSA-N 375.859 5.293 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)c1 59133135 KXAJSOUFURRTJP-NDENLUEZSA-N 386.426 5.259 50 40 GKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Cl)cc1 59410650 KMVFQRYFTBEJSE-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CC1(C)OC12[C@@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@H]2[C@H](Cl)C=C[C@H](Cl)[C@@H]12 104292145 FXYSLPGYEHXPHE-FYBOGTHZSA-N 393.207 5.002 50 40 GKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2cccc(Cl)c2)o1 408598825 KCHJHEBPTIQQGL-UVTDQMKNSA-N 380.787 5.581 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OC 409393619 RKGLKUKARHTXNU-AUWJEWJLSA-N 376.225 5.060 50 40 GKGB CC(C)CCN(CCC(C)C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 6170909 RJDMWDXFPOTYFW-AQTBWJFISA-N 378.463 5.116 50 40 GKGB COc1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)c([N+](=O)[O-])c1 6441420 MXXNGQYJRTUNMM-LGMDPLHJSA-N 396.402 6.081 50 40 GKGB Cc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(C)cc2)cc1 51329686 LEUQRPNRVUXMSV-DWBFBTNXSA-N 392.930 5.665 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)C1c2ccccc2Oc2ccccc21 3145402 YVPOADJITSGTDQ-UHFFFAOYSA-N 382.399 5.896 50 40 GKGB biogenic Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4705001 PMIFSTQAXHTPRJ-LDADJPATSA-N 390.527 5.841 50 40 GKGB CC(C)=CC[C@H](C=C(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 98174828 DOYUZWTUYPSVIK-MUUNZHRXSA-N 399.538 6.672 50 40 GKGB Clc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104169167 CKIJOHBZYBOTQN-UHFFFAOYSA-N 388.878 5.566 50 40 GKGB CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)c1 408599203 PXUUBVKLPPERCT-AQTBWJFISA-N 377.827 5.841 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1 408737337 BUWIFBWVBWFKQA-WPWMEQJKSA-N 395.506 5.249 50 40 GKGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409223256 DZEIKQMOQZEOBK-GHXNOFRVSA-N 384.279 5.270 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(C)c(C)c1 6397791 HLVDPWGJLMNKPQ-PGMHBOJBSA-N 398.506 6.181 50 40 GKGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1-n1cccc1 33919300 OHPIXEDGWNFVDP-IWIPYMOSSA-N 389.842 5.155 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 208450554 IBIQTFINOQVUNJ-BKUYFWCQSA-N 399.538 5.735 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OC(C)C 408542487 LTWCFFXJNUZAGK-MFOYZWKCSA-N 385.847 5.288 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1C 408781164 BCEUQRVIGIHOJO-UNOMPAQXSA-N 389.886 5.602 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 408805940 CTNNUAUYXCSEPR-GZTJUZNOSA-N 398.890 5.382 50 40 GKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 409043633 SKOKFHLUPVJONP-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 409265324 HMPAYGIKOQTONV-MFKUBSTISA-N 394.902 5.590 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC 1453410 QLWQNLWJSBNKOJ-LFIBNONCSA-N 392.436 5.405 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC 4678539 DIQONGLUZBLBCU-XNTDXEJSSA-N 379.847 5.244 50 40 GKGB CC/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 4897766 RFCARSAMNZTYMX-QYQHSDTDSA-N 379.463 5.446 50 40 GKGB Cc1cccc(Nc2c(CCCl)c(C)nc3c(-c4ccccc4)c(C)nn23)c1 27585343 PEFYPLKGOCDFGY-UHFFFAOYSA-N 390.918 5.846 50 40 GKGB Cc1ccc(N2CC=C(c3ccc(Cl)cc3Cl)O[P@@]2(=O)Cl)cc1 104232777 COGJAVDPUOGKKA-QHCPKHFHSA-N 388.618 6.526 50 40 GKGB FC(F)(n1ccnc1-c1ccccc1)P(c1ccccc1)c1ccccc1 104840378 RHLPVHGGWSMEDC-UHFFFAOYSA-N 378.362 5.190 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408787449 AGUWYXBSAQQHJE-KPKJPENVSA-N 395.673 5.591 50 40 GKGB C[C@@H](CCCN(CCCl)CCCl)Nc1ccnc2cc(Cl)ccc12 1747988 OXCSNJULRYCPDZ-AWEZNQCLSA-N 388.770 5.248 50 40 GKGB N#C/C(=C\C(Br)=C\c1ccccc1)c1nc(-c2ccccc2)cs1 4550333 AIUDKQVJJQVCKE-WDTMJSPRSA-N 393.309 6.153 50 40 GKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)cc1 5953250 FFJZQJIGVRAWRV-AQTBWJFISA-N 388.379 5.096 50 40 GKGB Cc1cccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 34702620 GBTKKLVWIJTWRP-MHWRWJLKSA-N 381.298 5.945 50 40 GKGB O=C(N/N=C1/C[C@H]2CC=C[C@H]12)c1ccc(CSc2ccc(Cl)cc2)cc1 35085734 WRSMDMRLTBGRTP-KFMIAMINSA-N 382.916 5.314 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)c1 59432941 XQYZXDWEBHMGHN-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC(C=O)=C(Cl)[C@@]4(C)CC[C@H]32)C1 256460175 UCTLHLZWKJIXJI-SOJYOXCPSA-N 376.924 5.183 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(Br)c1 408809982 ORGWHMNXUWAWFC-MHWRWJLKSA-N 399.288 5.090 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cc(C)cc(C)c2)cc1 408874256 ZOSBPMPIHSUNHP-KOEQRZSOSA-N 394.518 6.002 50 40 GKGB CC1CCC(=NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 5576299 LOVFTQRDPVGDAZ-UHFFFAOYSA-N 375.447 5.337 50 40 GKGB CCCC[C@H](I)C[C@@](F)(OC(F)(F)F)C(F)(F)F 16125618 QQQSHSLFOZIZQR-NKWVEPMBSA-N 396.084 5.135 50 40 GKGB O=C(CCSc1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1 20249053 NVALKKAMELUECY-UHFFFAOYSA-N 395.012 6.599 50 40 GKGB CC(C)(C)OOC(C)(C)C#C[C@@H](O)/C=C(\Cl)C12CC3CC(CC(C3)C1)C2 100676940 NFERKIKIABXLMA-DJXQQNTBSA-N 380.956 5.215 50 40 GKGB O=[P@@](Oc1ccc(Cl)cc1)(c1ccccc1)c1nc2ccccc2s1 3172227 HYLGFQHZBWDYMK-XMMPIXPASA-N 385.812 5.258 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 4724472 PFASWDPJKCUPBK-VURXPMLHSA-N 389.326 5.545 50 40 GKGB COc1cccc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1OC 17053266 AYCGLOBIWPDOHA-WQRHYEAKSA-N 376.481 5.508 50 40 GKGB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(SC#N)cc1 101128516 IBNLENHQXKNZHJ-DEDYPNTBSA-N 384.464 5.131 50 40 GKGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Br)c1 408757117 ZZEMLAHQYBHYGX-WDZFZDKYSA-N 396.071 5.302 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc1Cl 409013769 VGZOUESBWWTAHD-GYXHFJGISA-N 382.891 5.680 50 40 GKGB CCCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 3998226 NXAIUQSRTPQCDW-GXDHUFHOSA-N 382.261 5.178 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4333521 CGDZVFADZMNAPA-FOWTUZBSSA-N 376.441 5.257 50 40 GKGB Cc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 6756028 KWXYYIFDRTXTCG-RVDMUPIBSA-N 396.313 5.858 50 40 GKGB COc1ccc(/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 408581586 JEHAMENKXRZDGV-XSFVSMFZSA-N 382.438 5.901 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)c1 408804605 BBUFERQOAPKRSC-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccccc3C#N)[nH]c2c1 50704914 MZHWAECTQBQTMI-BKUYFWCQSA-N 390.446 5.386 50 40 GKGB CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21 59336420 YONVOOJPUJLVSZ-RAXLEYEMSA-N 384.266 5.514 50 40 GKGB CCCCCCCCCCCC[C@@H](I)CC(F)(F)F 103528408 TXZJOOJFIBQNMC-CQSZACIVSA-N 392.287 7.053 50 40 GKGB CC(C)OC(=O)CCC/C=C\CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O 201130451 SECORWWIPDMVOT-IZTUGPKFSA-N 380.601 5.344 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cc(C)cc(C)c2)cc1 408864967 AWVGHVPUPULGGO-XQNSMLJCSA-N 396.490 5.449 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(F)cc1 408940116 UELAILIVSXOPSZ-PDGQHHTCSA-N 390.389 5.089 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccccc1 58823004 JYXLFGIHQIGHSL-CPNJWEJPSA-N 388.854 5.465 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)c1 408802349 ZJPMRGGHTTUSRL-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccccc1 409059230 VOKHQWSFGLFOLM-NTUHNPAUSA-N 393.078 5.284 50 40 GKGB Cc1cccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)c1 83327489 CASGJQAEABTEKF-PKAZHMFMSA-N 394.474 5.491 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)cc1[N+](=O)[O-] 408691948 ZNBDKBGNGFGEIM-YBEGLDIGSA-N 384.395 5.120 50 40 GKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408787913 HMHWUSXTXBIMLF-MHWRWJLKSA-N 399.288 5.010 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)c(C)c3)n2)cc1 2279638 IRQYCRVQIMGHIR-AQTBWJFISA-N 375.497 5.802 50 40 GKGB O=C(CCCC[C@@H]1CCSS1)NCc1ccc(CN2CCCCC2)cc1 48277192 WACVZBMIRSQTIG-HXUWFJFHSA-N 392.634 5.003 50 40 GKGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CSc2ccccc2)cc1 59473088 FBGGRWVBDQBXME-OEAKJJBVSA-N 380.900 5.396 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C 408965422 HHBGVMGLVJDEOI-HAHDFKILSA-N 397.522 5.819 50 40 GKGB N#C/C(=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 4723286 VGNZBTZRYRFWGC-BJMVGYQFSA-N 396.617 5.101 50 40 GKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)c(Br)cc1O 6441136 QTPKVRDTZBKLGZ-OQLLNIDSSA-N 380.241 5.381 50 40 GKGB CCCCCC(/C=N/NC(=O)CSCc1ccccc1)=C\c1ccccc1 18192286 HASQBEMNKFLTCD-ITCUVKODSA-N 380.557 5.686 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(Cl)cc1 108003713 LAVYIQJPCUXWFP-PDGQHHTCSA-N 393.845 6.131 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(C(=O)O)cc1 408541909 GMIGACWHNQWVCT-DHDCSXOGSA-N 393.782 5.061 50 40 GKGB N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1 408874253 ZOMZFHVEOKHWBV-CPNJWEJPSA-N 390.845 5.616 50 40 GKGB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@@H](Cl)c1ccccc1 575359206 UZYWTTHGCAZMNF-VWLOTQADSA-N 397.905 7.319 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nnc(NC(=O)c2ccccc2)s1 4837223 PIOICQILTGOONQ-LGMDPLHJSA-N 398.447 5.115 50 40 GKGB N#C/C(=C\C=C/c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 7016829 ORMPGADPNWPRPG-KYSOKESYSA-N 382.444 5.537 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1cccc2ccccc12 8812239 ULDSRNYPIJGULO-CVKSISIWSA-N 385.442 5.150 50 40 GKGB Cn1c(/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)nc2ccccc21 11666786 UBDWPRMZRLKIIA-UYRXBGFRSA-N 383.426 5.356 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 59201774 SROKPKRAGIQJIQ-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)c1 408691929 YKQWKPKASONQBT-ATVHPVEESA-N 397.434 5.080 50 40 GKGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccc(Cl)cc1Cl 409230623 DMIZYMZSNJRTTB-WJDWOHSUSA-N 387.310 6.056 50 40 GKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)NCCCc1ccccc1 409236326 DYRLLPDVGMNJPW-XLNRJJMWSA-N 382.463 5.135 50 40 GKGB C[C@@H](C(=O)c1ccc(Br)cc1)[C@@H](Br)c1ccccc1 1724915 PSXAPZIEBSHLHT-IAQYHMDHSA-N 382.095 5.404 50 40 GKGB N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 35339417 QDDAPWHJMMACAV-SFQUDFHCSA-N 392.867 6.464 50 40 GKGB CCCCCCCCCCCCCCCCC#CC(C)(C)OOC(C)(C)CC 97950412 RPVHZHTUSYBXKU-UHFFFAOYSA-N 394.684 8.777 50 40 GKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Cl 408792417 BDMTVPRVVQSIOP-GZTJUZNOSA-N 398.890 5.245 50 40 GKGB CC(C)c1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(C(C)C)c1O 408851507 CFVJMIGGZZSHBG-AUEPDCJTSA-N 393.314 5.710 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)o1 408978369 YZMJSDLEMWTGAJ-MFKUBSTISA-N 384.435 5.084 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc2ncccc12 2322365 CRVCWPMIEUNMQO-DTQAZKPQSA-N 399.837 5.694 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3c(C)cccc3C)o2)cc1Cl 3034425 SALWFPNCBPPYTJ-WYMPLXKRSA-N 396.874 5.054 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(C)s1 4646943 VWNMLUOUOGVQMM-PCLIKHOPSA-N 385.492 5.426 50 40 GKGB O=C(Cc1cccc2ccccc12)NNc1c2ccccc2nc2ccccc12 5516452 NTQLFBIDKFRZDC-UHFFFAOYSA-N 377.447 5.227 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)c1 5791138 PFDWGLSQXGNXEZ-SSZFMOIBSA-N 390.464 5.375 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 15009157 YZYDZVLWYVMCNW-GXDHUFHOSA-N 382.261 5.178 50 40 GKGB Cc1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)c2ccccc2)cc1 26642574 GXWVYXXGUPMJRE-RCCKNPSSSA-N 389.882 6.170 50 40 GKGB Cc1sc(NC(=O)[C@H](Cl)Oc2ccc(Cl)cc2Cl)c(C#N)c1C 41091573 OWIQFSNAXMLTGT-CYBMUJFWSA-N 389.691 5.126 50 40 GKGB CC[Si](CC)(CC)OC(C)(C)CCC[C@H](C)[C@@H]1CC[C@H]2C(=O)CCC[C@]12C 199574368 SSBPDZGZFAVZPC-IBPRQYQWSA-N 394.716 7.379 50 40 GKGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1-c1ccccc1 408785395 YTQFYHPSRMKFMU-XLNRJJMWSA-N 383.495 5.228 50 40 GKGB Cc1c(Br)c(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccccc1 408853764 RJZCUXBUOOUELK-QGOAFFKASA-N 377.285 5.921 50 40 GKGB O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1cc2ccccc2cc1O 1948067 IDTPYECADLYDSS-XAOWMNBUSA-N 392.458 5.393 50 40 GKGB N#C/C(=C/c1cccc(Br)c1)Sc1ccc(Br)cc1 3311324 OUSYTMXFMFINQQ-DHDCSXOGSA-N 395.119 5.868 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/c3cccc(Br)c3)n2)cc1 8208962 YSVYWUWRRBOYLA-OQLLNIDSSA-N 397.297 5.645 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(Cl)c3)n2)cc1 13774387 PDMFGZKWWVGKGD-RVDMUPIBSA-N 381.888 5.757 50 40 GKGB C(=C/c1ccccc1)\C[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1 105004788 AGUDBYNGKWMCNY-QGOAFFKASA-N 393.490 6.569 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408549123 PKPVZDFWBLBQTP-HZHRSRAPSA-N 393.446 6.220 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccc(C)nc34)n2)cc1 1308671 WCMJSJLQARXJJM-QGOAFFKASA-N 398.491 5.652 50 40 GKGB COc1cc(/C=N/c2cccc(Cl)c2)ccc1N(CCCl)CCCl 1609734 DICRDJAXRDLLJX-LPYMAVHISA-N 385.722 5.383 50 40 GKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2ccccc2F)cc1 2629309 TZXYKCTXBMTIHQ-HMMYKYKNSA-N 379.438 6.051 50 40 GKGB C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 4505045 RXIKSWCXUIEGBY-JMQYGXLWSA-N 388.555 5.507 50 40 GKGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6888054 MQZKZDZUIVJYFI-WJDWOHSUSA-N 383.835 5.136 50 40 GKGB C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccc(OC(F)F)c1 58953797 FELWSKIRXQJQFB-SWLSCSKDSA-N 375.506 5.179 50 40 GKGB BrC(Br)c1cccc(-c2nc3ccccc3s2)c1 59287786 YPAPQHPNXGPMIR-UHFFFAOYSA-N 383.108 5.752 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 59335079 GBTKMMXBEONIAX-QNGOZBTKSA-N 398.510 5.014 50 40 GKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(Cl)cc1Cl 59473561 ABZCKXLHJGPNSN-DNTJNYDQSA-N 387.719 5.030 50 40 GKGB Cc1cc(NC(=O)CSC#N)cc2nc(-c3ccc(C(C)(C)C)cc3)oc12 226328013 RYBHCGQVHKRJCS-UHFFFAOYSA-N 379.485 5.254 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1C#N)c1nc2ccc(F)cc2[nH]1 408569339 NHSUQTPJPIWHBV-ODLFYWEKSA-N 394.409 5.217 50 40 GKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(C)cc3)c2)cc1 408580811 RUDIHDHCKBSCLB-HYARGMPZSA-N 382.463 5.385 50 40 GKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408803844 TZYZTXCVTUSFCZ-OQLLNIDSSA-N 387.266 5.412 50 40 GKGB Cc1ccccc1Cn1cc(/C=C(/C#N)c2ccc(Cl)cc2)c2ccccc21 409366210 ZTEDPZAUBCLCTM-STZFKDTASA-N 382.894 6.716 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1C1CCCCC1 985564 IMPMNJGREXTAOG-OAHLLOKOSA-N 389.286 5.134 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 2162430 GCNPEHIOPWYMJK-FYHAJLKWSA-N 386.451 5.527 50 40 GKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]2Br 4185017 HTXXGYQXUWLLDZ-WQVCFCJDSA-N 390.243 5.234 50 40 GKGB N#CC(C#N)=C(Nc1ccc(F)cc1)SCc1cccc(Br)c1 4889306 DVZNOZMXZIFJAE-UHFFFAOYSA-N 388.265 5.192 50 40 GKGB N#C/C(=C/Nc1cccc(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 96024170 CQHBHJFMSWSQQZ-HKWRFOASSA-N 397.478 6.593 50 40 GKGB FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccccc3Br)nc2c1 103860796 LCIMZZOYLYFQJW-UHFFFAOYSA-N 399.182 6.650 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2C(C)=CC1(C)C 208520704 LIGZVEUMUBNMAU-BKUYFWCQSA-N 399.538 5.871 50 40 GKGB Cc1cc2c(cc1/C=N\NC(=O)c1cccs1)[C@@H](C)CC(C)(C)N2C(C)C 223594028 QLOHWCZZMHABPC-YOBACFSGSA-N 383.561 5.321 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Br)cc1 408532124 PQMSFXAGJWADSQ-NBVRZTHBSA-N 388.264 5.678 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2[nH]1 408569675 PKZYJDFUCNBHFZ-LCYFTJDESA-N 396.347 5.576 50 40 GKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1 408817781 WGOCMAWOZNXNQB-PEECEISESA-N 392.474 5.007 50 40 GKGB C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 409048058 QTPRVXADBKEMKO-OQLLNIDSSA-N 387.266 5.412 50 40 GKGB CC[Si](CC)(CC)OC1=C([O])N(C(=O)c2ccccc2)[C@H]1c1ccccc1 1560407623 VFSGUUDGJFAYJM-IBGZPJMESA-N 380.540 5.505 50 40 GKGB CC(C)(C)c1cc(/C=N/NC(=O)c2ccccc2Cl)cc(C(C)(C)C)c1O 3098651 ZSZFHPOZIYFLJZ-ZMOGYAJESA-N 386.923 5.405 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1O 5009839 QJHMLNDMXOWGDD-KAMYIIQDSA-N 398.340 5.217 50 40 GKGB Cc1ccc(-n2c(C)cc(P(=O)(c3ccccc3)c3ccccc3)c2C)cc1 102936341 FGSLCQPZNSEBEN-UHFFFAOYSA-N 385.447 5.042 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2)cc1 408548312 GCUBKFVFWFCDPL-QQXSKIMKSA-N 375.471 6.791 50 40 GKGB COc1cc(/C=C(\C#N)c2ccc3ccccc3c2)cc(Br)c1OC 408549648 WGHLCTYNHVFATF-GIJQJNRQSA-N 394.268 5.684 50 40 GKGB O=C(N/N=C\c1cccs1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408972950 XFEAIUIXKZGBHC-FXBPXSCXSA-N 389.716 5.687 50 40 GKGB Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)c(C)c1 408985040 KSNYPSKAPMJEIL-PXLXIMEGSA-N 396.490 5.737 50 40 GKGB Cc1ccc(NCC(=O)N/N=C/c2c3ccccc3c(C)c3ccccc23)cc1C 408995190 AQLYYTAYWXONDC-RWPZCVJISA-N 395.506 5.480 50 40 GKGB Br[C@@H](c1ccccc1)[C@@H](Br)c1ccc2c(c1)OCCO2 4776217 TXBCLVCVSXZVHK-HOTGVXAUSA-N 398.094 5.030 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Cl)c1 4838457 KNIMUZMJQLWZPY-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(C#N)c3)o2)cc1Br 408568651 VSRJBURQVJMYPD-ZDLGFXPLSA-N 389.252 5.953 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1Cl 5773646 GQPWUEICABKDJE-XMHGGMMESA-N 388.854 5.465 50 40 GKGB O=C(N/N=C/c1ccc(Br)cc1)c1sc2ccccc2c1Cl 5948699 XVYLHRBXWPVOJK-DJKKODMXSA-N 393.693 5.081 50 40 GKGB Cc1ccc(Cn2cc(/C=N/NC(=O)CCc3ccccc3)c3ccccc32)cc1 6966038 ABXDZZMNIRNLNW-WPWMEQJKSA-N 395.506 5.081 50 40 GKGB C[C@H]1C/C(=N\NC(=O)c2cc(-c3cccs3)nc3ccccc23)CC(C)(C)C1 33042780 SIPDGROTBWXNEN-BDKXHVGHSA-N 391.540 5.895 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C(C)C)cc3)n2)cc1 100239405 NFWAGSJZEAMWQV-RGEXLXHISA-N 389.524 6.309 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)ccc3C)n2)cc1OC 100302562 ZUZANAYEHASMBQ-SFQUDFHCSA-N 391.496 5.421 50 40 GKGB CCCCOc1cccc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c1 100839880 SEGSELAOJHRTKC-VKAVYKQESA-N 393.487 6.105 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1 408779311 UXOZBZGESKDTFR-AQTBWJFISA-N 375.859 5.293 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCC2)c1C 408783682 PZBOCGNZBNAKEM-WQRHYEAKSA-N 381.907 5.728 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1C(C)C 408847564 QIZYHRJVNYGPBW-UDWIEESQSA-N 376.500 5.680 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccccn2)o1)C(=O)Nc1ccc(Cl)cc1 408988632 FCRQWGPXHNGEFS-ACCUITESSA-N 381.844 5.025 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccccc1F 409394204 XDEVHALKMICOIG-NDENLUEZSA-N 391.417 6.007 50 40 GKGB Cc1ccc(NC(=S)N/N=C(\CCCCl)c2ccc(F)cc2)c(C)c1 3880199 CZJCTQHBOKDSJA-PTGBLXJZSA-N 377.916 5.152 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 4175232 KHEUCPGDSBUTLV-QGOAFFKASA-N 377.488 6.124 50 40 GKGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(Nc4ccccc4)ccc32)cc1 4620592 QUGICIKBDXUYBY-XMMPIXPASA-N 381.479 5.772 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1cccc2ccccc12 9110541 XEJZTCHDQNFXLK-ZVHZXABRSA-N 388.858 5.037 50 40 GKGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl 16440421 RUAXFGAKFAUYCV-DHZHZOJOSA-N 396.071 5.302 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 59137075 ZEWOXIGRBMLDRA-ATVHPVEESA-N 393.849 5.432 50 40 GKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC 408579557 HUPMHBMVQDUTJL-LICLKQGHSA-N 386.289 5.619 50 40 GKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12 408801089 SOVKHLKLFGSQET-RVDMUPIBSA-N 392.842 5.056 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(C)C 408807637 DOKOFVRFNIVWCG-MHWRWJLKSA-N 399.288 5.090 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408811658 KMNDLVDGEUAEAY-GHRIWEEISA-N 388.854 5.604 50 40 GKGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 408868941 QRTDXWZWILNVIC-FSJBWODESA-N 386.282 5.165 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc12 5727163 PFIPNDXYZDJQPL-LDADJPATSA-N 390.508 5.159 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2cccc(F)c2)o1 19824557 WMLMJWIXYNLCEE-RQZCQDPDSA-N 382.398 5.094 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccccc1Br 33667438 AELSQBDJITWAJS-ATVHPVEESA-N 395.275 6.060 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OC(C)C 59117208 IMDIBTDAQFHVAL-LFIBNONCSA-N 384.863 5.072 50 40 GKGB Cc1ccc(-c2cc3nc(-c4ccc(C)cc4)nc(C(Cl)Cl)n3n2)cc1 101425477 ZZHXVHVRCOSJMW-UHFFFAOYSA-N 383.282 5.551 50 40 GKGB CCCCCCCCC/C=N/NC(=O)C(=O)N/N=C/CCCCCCCCC 104375728 WIWFSISEOXTBJM-BLVCXSLXSA-N 394.604 5.472 50 40 GKGB Cc1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C#N)c2-c2ccccc2)cc1 408730724 HKRZUWZZWXLJPZ-UHFFFAOYSA-N 385.470 6.550 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 13764187 CNDLMANPSDSIFB-AQTBWJFISA-N 394.927 6.707 50 40 GKGB Cc1ccccc1/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 33536902 FJKONMWOAJYTQP-CXUHLZMHSA-N 381.298 5.945 50 40 GKGB COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCCCl 215763071 ZVBAZLJKWLHQQV-UHFFFAOYSA-N 396.249 5.182 50 40 GKGB CCc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(C)cc1C 4957124 JILDCMGJTKTVBX-SFQUDFHCSA-N 389.480 5.962 50 40 GKGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 7141260 GIJKFTLBGXVDJR-XMHGGMMESA-N 378.431 6.059 50 40 GKGB CCCCCCCCCCCCCCCC[N+](C)(C)CCOCCCl 100925705 UEUVAMKESWFKSR-UHFFFAOYSA-N 377.077 6.800 50 40 GKGB CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 217709120 QUOICUNJKDONKH-UHFFFAOYSA-N 394.081 6.004 50 40 GKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1 408813850 RHJQWJWOUGWAKO-SFQUDFHCSA-N 381.435 5.184 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NC1CCCC1 409194137 OHBYZGDVWSLWFH-FMIVXFBMSA-N 375.255 5.219 50 40 GKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc1 409310740 CTGNVSOGTNOQFB-PGMHBOJBSA-N 393.442 6.341 50 40 GKGB CCOC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 4498489 XFQBHVLVWCAJLD-GDNBJRDFSA-N 399.277 5.466 50 40 GKGB CCCC[C@@H](I)C[C@](F)(OC(F)(F)F)C(F)(F)F 16125621 QQQSHSLFOZIZQR-RQJHMYQMSA-N 396.084 5.135 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 40865638 XTDRLJDRMOUYNX-RVDMUPIBSA-N 389.282 5.718 50 40 GKGB CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2[nH]1 42227145 HVCUZEMPAJWDFH-KDOFPFPSSA-N 377.579 5.090 50 40 GKGB biogenic O=C(N/N=C\c1ccncc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408969157 IFQSXIXTMNKBFG-SCDVKCJHSA-N 384.675 5.020 50 40 GKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1 2805822 RLLDBEHYGMYOHW-RVDMUPIBSA-N 397.261 6.108 50 40 GKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c(C)c1 4705388 LCNDUYPYTSPEJM-AQTBWJFISA-N 379.891 5.103 50 40 GKGB CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC/C(C)=N/NC(N)=O 5396168 SFOCYFZQHHWIRZ-FHQPDIEPSA-N 387.612 6.336 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1-n1cccc1 5900233 AYUSERKRHQPCLC-OVVQPSECSA-N 389.458 5.548 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1F 33740657 HQEVSCHMEQWAFJ-BOPFTXTBSA-N 398.264 6.776 50 40 GKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1 45170979 KVPGOXAYUYHDRG-LDADJPATSA-N 385.854 5.859 50 40 GKGB CC1=C(c2ccccc2)SS/C1=C1\SSC(c2ccccc2)=C1C 102040593 OXMBSTBZQJWESV-VXPUYCOJSA-N 384.616 7.850 50 40 GKGB CCS/C(=C/[PH](c1ccccc1)(c1ccccc1)c1ccccc1)SC 104214786 QFWOORAKGNMPCL-FCDQGJHFSA-N 396.561 5.628 50 40 GKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1 212117762 GEVAJQYMACTGMY-STZFKDTASA-N 398.462 5.128 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc2ccccc2c1 408548872 MOLAORVSJCQLAE-IWIPYMOSSA-N 395.889 7.136 50 40 GKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2)c1 408743957 CSUCBDDLOVWARM-JCMHNJIXSA-N 382.463 5.428 50 40 GKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Cl 409011360 GGRYBUBNKOVLSU-WTJYETQFSA-N 395.890 5.072 50 40 GKGB CN(C)C(=O)Sc1cccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1 585139850 KXESVBSKAIRPQY-MHWRWJLKSA-N 392.509 5.043 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCCCC1 1453292 VUKTVEDEPXTRFI-ACCUITESSA-N 375.255 5.173 50 40 GKGB COc1ccc2c(Cl)c(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)sc2c1 3262558 BCDSMPIHIRYKQV-LSHDLFTRSA-N 397.887 5.117 50 40 GKGB Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)ccc1NCCBr 4280443 HONWLAUWYJFFON-FMQUCBEESA-N 397.660 5.779 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCc1ccccc1 7156956 OECNOJJGPFDWBU-KGENOOAVSA-N 398.462 5.128 50 40 GKGB CC(C)c1ccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 13896512 DOLAJXIXUHGSDO-UHFFFAOYSA-N 387.527 5.184 50 40 GKGB CC[C@H](C)n1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc21 16611293 KBKWGOKTKGXMIZ-FDIDWWNZSA-N 391.902 6.120 50 40 GKGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)o2)c1 107702657 LAMOCQYRMLPLNZ-BOPFTXTBSA-N 397.434 5.291 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCC 107885136 SJKOMBQRGAEGLL-ZROIWOOFSA-N 390.252 5.450 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@@H]1CC/C2=N\NC(=O)c1ccncc1 118917458 NJHIQSIODLRTDP-NSQFVAQMSA-N 391.559 5.376 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408793339 OMCDVZVUTQJJED-VZUCSPMQSA-N 381.646 5.201 50 40 GKGB Cc1ccsc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408856736 QWROXWMWOCSMGZ-XYGWBWBKSA-N 399.519 5.587 50 40 GKGB O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 408921422 AVFRTXWUZNRHKF-YZSQISJMSA-N 380.447 5.183 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(=O)OC)n2)cc1 1241394 HFVLFTCDWPAJOC-GHRIWEEISA-N 389.480 5.136 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4o3)cs2)cc1OC 5603032 HFDUYPMRFHUPQP-CXUHLZMHSA-N 388.448 5.638 50 40 GKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2ccccc2F)[C@H]1c1ccccc1F 8783206 NZSKEYJKCPBBCA-FFXXTYGZSA-N 376.406 5.294 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1cccc(Cl)c1 15228601 NERMXEWVOKXFCA-JAIQZWGSSA-N 389.838 5.681 50 40 GKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OC 408580928 SMFDXUSJUCLWLC-RIYZIHGNSA-N 392.680 5.574 50 40 GKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1cccs1 408863752 PRWQGDONQKLSQU-HYARGMPZSA-N 378.522 5.092 50 40 GKGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3cccs3)sc2c1Cl 408972604 PNVZXDZVAWDDFQ-WSVATBPTSA-N 385.297 5.042 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 409362575 RLOADDSZZURGPB-FSJBWODESA-N 387.266 5.255 50 40 GKGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Br)c1 1211696 RBNYEMKWNVUIER-KPKJPENVSA-N 395.178 5.014 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1 4115176 GWTXVLCYCBNNRY-VHFSOBRXSA-N 390.918 5.206 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1ccccc1 4576129 SVRQUXAYJMMJDY-PXLXIMEGSA-N 383.447 5.454 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 4966341 UOHNVQCEBQDFSR-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CC1=C/C(=N\NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)CC1 6566099 HQWSNOYZYRKOJO-DAFNUICNSA-N 376.500 5.389 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cccc2ccccc12 408598807 JXWVVWZLFOPQOQ-HMAPJEAMSA-N 382.894 6.965 50 40 GKGB CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1c2ccccc2cc2ccccc12 408731780 MZORROGZWDDLMF-QFIPXVFZSA-N 385.419 5.237 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1 408763466 FOCPAHPMDZBCED-FSJBWODESA-N 386.282 5.165 50 40 GKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 408880143 GATQDEXVAHYVFS-RVDMUPIBSA-N 397.261 6.108 50 40 GKGB Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)NCc3ccco3)c2c1 408996127 OFCCENXDLBHDRB-UYRXBGFRSA-N 395.462 5.268 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl 409250825 YHHNFWVLMFXMIE-OJTJRJJXSA-N 382.891 5.302 50 40 GKGB CCc1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4063696 SHFPBDLYNMYOQW-LFIBNONCSA-N 375.453 5.078 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)OCO4)n2)cc1 4175136 DVKXJACNGFVZAX-CXUHLZMHSA-N 376.437 5.002 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OC(C)C 5814896 SQPDSZCBRBAJKC-RQZCQDPDSA-N 398.890 5.298 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 5946421 XJYMZVPKSYRTSM-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 7160179 XSHFNXLPMSRMQQ-CPNJWEJPSA-N 378.472 5.037 50 40 GKGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)sc2c1 108498632 RPPXEMBMLUTVPF-WNFQYIGGSA-N 397.714 5.934 50 40 GKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1Cl 408580292 NYMLYQVUGURTCM-FOWTUZBSSA-N 378.258 6.223 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1 408583704 WTZKNGHWVORXAN-RCCKNPSSSA-N 398.462 5.085 50 40 GKGB N#C/C(=C\Nc1ccc2cn[nH]c2c1)c1nc(-c2ccc(Cl)cc2)cs1 1834657 WORZBQPKWIVCIP-NTEUORMPSA-N 377.860 5.316 50 40 GKGB N#CC(=C\c1ccccc1Cl)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 4953781 SQTAGROHRMDCSB-YRNVUSSQSA-N 395.724 5.462 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1 6354171 PEUFWZGJFJZYIQ-FOWTUZBSSA-N 376.441 5.257 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 33574388 VRPSREZWJMITFZ-UNOMPAQXSA-N 390.826 5.891 50 40 GKGB N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1F 33744848 GBCCGCRQZFCUES-HKWRFOASSA-N 397.424 6.761 50 40 GKGB FCCN(CCCl)c1ccc(/C=N\c2ccc(Br)cc2)cc1 104051003 IZTDVWPJTVBVGE-BKUYFWCQSA-N 383.692 5.214 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2C(C)=CC1(C)C 208502911 PVMILRMISQKOAF-BKUYFWCQSA-N 399.538 5.871 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)cc1 408599544 WBGZWVHZFDHFEO-DEDYPNTBSA-N 384.508 5.936 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)cc1 408888412 ZRHMVSAFHNALNM-WGOQTCKBSA-N 381.479 5.320 50 40 GKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)cc1)c1ccccc1 409231275 JMLUMCMECGKBBK-RWZYYMRUSA-N 384.504 5.622 50 40 GKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)NCCCc1ccccc1 409235732 DJBSCLDTWFKWMW-NKFKGCMQSA-N 390.486 5.649 50 40 GKGB Cc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)c(Cl)nc2c1 650436 DPXAKSOEZFMVBP-OAQYLSRUSA-N 397.865 5.568 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 4545161 GKFDAMVOLGWZJB-PCLIKHOPSA-N 392.886 5.002 50 40 GKGB O=C(CSc1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1 5513776 XERIHMFYSKCURG-UHFFFAOYSA-N 380.985 6.209 50 40 GKGB N#C/C(=C\c1cccc(Cl)c1)C1=NC(=O)/C(=C/c2ccccc2Cl)S1 5678647 XAGDTLGPTSDWRD-MZVQJXNWSA-N 385.275 5.613 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)c1 6626564 TVMOWMSEODOVJT-STZFKDTASA-N 375.516 5.067 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NCc1ccccc1 12376451 OSCMJZYPRVIQGV-PTNGSMBKSA-N 397.261 5.477 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1C 44827327 IPQXIMRKFDMGSV-LZYBPNLTSA-N 385.319 6.798 50 40 GKGB Cc1ccc2ccc3c4c(c5ccc6ccc(C)cc6c5c3c2c1)C(=O)OC4=O 104259423 GPSWASJFFNZWTK-UHFFFAOYSA-N 376.411 6.227 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc21 208436021 WVGFGVWIVPFEAQ-ZMOGYAJESA-N 381.907 5.044 50 40 GKGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc2ccccc2c1 408757619 AXOHIFAIXWGISV-PXLXIMEGSA-N 390.442 6.178 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 409045143 FQFCFVKKIQYRKT-NTEUORMPSA-N 375.255 5.328 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1 409244166 YVEAGEGZKUXXNG-SQFNAUOLSA-N 388.492 5.524 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1C 4175186 YOVPNYXONAUJSU-BHJCNXLPSA-N 387.464 5.956 50 40 GKGB O=C(NN=C1CCCC1)c1ccc(CSc2cccc3cccnc23)cc1 5414867 MNFQIPCQWIQZBG-UHFFFAOYSA-N 375.497 5.187 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 209399423 KIEURHGDHSFCEJ-UDWIEESQSA-N 394.301 6.945 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 2109811 IGPMFJLBKHSAOR-ZMOGYAJESA-N 389.842 5.221 50 40 GKGB CC/C(Cc1ccccc1)=N/NC(=O)c1ccc(CNc2ccc(F)cc2)cc1 15931559 ZURXDOABGJSYTB-QYQHSDTDSA-N 389.474 5.176 50 40 GKGB N#C/C(=C\c1ccccc1F)c1nc(-c2cccc(Br)c2)cs1 44827332 SUINJXHSDKEGJW-RIYZIHGNSA-N 385.261 5.776 50 40 GKGB Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2n1C 59250397 GPNPAUFZJMYGIE-UKTHLTGXSA-N 384.266 5.339 50 40 GKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1 139166249 CWXVJGKEMCLQHG-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408811720 ROZMNNHJXZMDLR-GHRIWEEISA-N 390.870 5.826 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCCC 409075757 XRIOKDLQSVYRJS-XMHGGMMESA-N 388.467 5.808 50 40 GKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1 409119380 PEQRCQZVTSPHQE-MRSJDWDVSA-N 390.508 5.418 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)o1 1100045 UIGRXUOGAJHREH-MFKUBSTISA-N 384.435 5.084 50 40 GKGB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](Cl)c1ccccc1 3269793 GOZQEZMKZJTBPE-GOSISDBHSA-N 399.899 5.510 50 40 GKGB O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1 4814122 SMRAAFZMGDDMEF-YVNNLAQVSA-N 393.657 5.671 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)c1cccc(Br)c1 4837614 BNLLJIPHBUFYJZ-UHFFFAOYSA-N 379.342 5.840 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)cc1 16736718 MZKYMNBEUCGECO-YVVITCHPSA-N 392.458 5.601 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1 40161446 SCGAOEYRUJBOSY-ATVHPVEESA-N 375.497 5.182 50 40 GKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)CCl)CC[C@H]4[C@@H]3CC[C@@H]2C1 118925962 BJNBUJBEHXHJHF-LSXNRQBNSA-N 394.983 5.385 50 40 GKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-] 408588970 XNIAEMOSEQIXPJ-NVNXTCNLSA-N 399.233 6.534 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1cccc(Br)c1 408760001 PSEGMZKVHAQOMD-QINSGFPZSA-N 382.282 6.257 50 40 GKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408819911 ZBFIZDVNAXJKRN-GXDHUFHOSA-N 375.255 5.328 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)NC1CCCCC1 409201415 MURONVYPBRZQKT-WYMLVPIESA-N 388.389 5.321 50 40 GKGB N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1831896 JXDRDNKBABTIEG-FOWTUZBSSA-N 399.435 5.243 50 40 GKGB N#C/C(=C\Nc1ccccc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2277718 NDAWAIZHDKCDSR-HMMYKYKNSA-N 397.478 6.593 50 40 GKGB CN(C)/C=C(\C#N)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 3064027 UDZFFGJRPKYORQ-PKNBQFBNSA-N 390.295 5.803 50 40 GKGB O=C/C(=C\Nc1ccc(Br)c2ccccc12)c1nc2ccccc2o1 5338583 WLLFGLNWUWGCEB-ACCUITESSA-N 393.240 5.395 50 40 GKGB Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 44827295 BNIKSKYKNOVJCK-LFIBNONCSA-N 376.441 5.312 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)c(Cl)c1 208204707 NXBMXPXBUOPYBR-MMTYYTLLSA-N 383.923 5.134 50 40 GKGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl 408774321 UVFSJHHDCJFJMX-SXGWCWSVSA-N 389.282 5.004 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)o2)cc1 408854898 BAGHOKRMNKHXIU-VBKFSLOCSA-N 385.410 6.822 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCC4)c4ccccc34)[nH]c2c1 409391280 IWAUWFIUQMJVGX-JXAWBTAJSA-N 394.478 5.389 50 40 GKGB O=C(c1ccccc1)[C@H](Cl)C(c1ccccc1)[C@@H](Cl)C(=O)c1ccccc1 2311417 WPPWJZVIVJPWCN-NHCUHLMSSA-N 397.301 5.751 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 33347194 OUSQLBSYRMIFLQ-UYRXBGFRSA-N 390.826 5.891 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 408579254 FJPYCCWETLOPTC-RGVLZGJSSA-N 394.301 6.945 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 408579851 KOTOZIQDLFBKHL-KGENOOAVSA-N 389.476 5.135 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 408589277 ZXGAWYCOFCTDLU-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc2ccccc2c1 408734776 JOISARPXTJKTHF-LPYMAVHISA-N 395.462 5.064 50 40 GKGB Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c1 408815058 UBHNQJKJUBOOPK-QFEZKATASA-N 385.467 5.221 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c1C 409002061 SFRNLXPBYYEWSD-YUMHPJSZSA-N 395.506 5.628 50 40 GKGB Cc1c(C(=O)[C@H](Br)CBr)cccc1-c1ccccc1 575358409 MIKKLFJAKXHLPX-OAHLLOKOSA-N 382.095 5.003 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1O 943234 QJHMLNDMXOWGDD-SDNWHVSQSA-N 398.340 5.217 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 1439593 KEDULEUHSQRXGW-NTCAYCPXSA-N 388.298 5.385 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 5522791 UGSUCRZAMRZSAQ-XQNSMLJCSA-N 396.490 5.935 50 40 GKGB O=C(c1ccccc1)[C@H](Cl)[C@@H](c1ccccc1)[C@@]1(Cl)CCCCC1=O 13512319 VXYDXULHYXNWKC-SFHLNBCPSA-N 375.295 5.381 50 40 GKGB O=C(Cl)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 16384332 DLVXTOJDFORIGO-ZZXKWVIFSA-N 390.458 5.250 50 40 GKGB O=C(Cl)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226318549 UCXSBDUWYPIJKF-UHFFFAOYSA-N 394.479 5.714 50 40 GKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 408581439 WSQIBWKXMUVPNT-NBVRZTHBSA-N 395.867 5.172 50 40 GKGB CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1 5023038 UXCOBAWPMKOSMU-CPNJWEJPSA-N 396.471 5.953 50 40 GKGB COc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1 5918566 AXLMRTGOWLORGG-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB N#C/C(=C\c1ccccc1Br)c1nc(-c2ccc(F)cc2)cs1 17474307 MBDWXMAIYAXHEK-NTEUORMPSA-N 385.261 5.776 50 40 GKGB CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CO)[C@@H]3CC[C@]12C 169748359 FUNLLIJOYNVIFA-ISZUPVRWSA-N 380.645 5.181 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)cc1 408739305 VIQKMGNJMBIZOM-WGOQTCKBSA-N 381.479 5.320 50 40 GKGB O=C(Sc1ccc(Cl)cc1)[C@@H](Cl)[C@H](Cl)c1ccc(Cl)cc1 1685418 RJWWDVMPCZLDGN-KGLIPLIRSA-N 380.123 6.200 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 27490369 TULUIKMPSMZBGH-ZSOIEALJSA-N 387.291 6.190 50 40 GKGB O=C(N/N=C1/CCCc2ccccc21)c1cc(-c2ccccc2)nc2ccccc12 30951371 YZRWWNWUJQGLPL-COOPMVRXSA-N 391.474 5.372 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NC3CCCCC3)cc21 208238286 NRTLGSCHHPPWQI-HAKPAVFJSA-N 399.966 5.418 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1 209399300 GFRVIESWQZURGN-AWNIVKPZSA-N 393.078 5.290 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408866362 HVQNJJOVGXABMG-AFUMVMLFSA-N 386.373 5.048 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1ccc(C(F)(F)F)cc1 408938084 RQVDDPRBIBUMMZ-VBKFSLOCSA-N 382.341 5.258 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2 1114236 QYQIDRGQZZEQJA-VCHYOVAHSA-N 376.843 5.540 50 40 GKGB Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1 1666690 VJDGONRHHHOESK-UHFFFAOYSA-N 378.526 5.287 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1912659 UHHTYSHKHTZKGN-RIYZIHGNSA-N 375.255 5.328 50 40 GKGB Cc1ccsc1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 4175172 RWERNJBCNFDAQM-WDZFZDKYSA-N 377.321 6.551 50 40 GKGB O=C(NNc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccccc1 4907203 IDCZUSDWEXLHDM-UHFFFAOYSA-N 383.476 5.138 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 5712829 PQOIPZGKYDWAQN-LTGZKZEYSA-N 398.462 5.210 50 40 GKGB O[C@@H](CBr)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 13213629 IQNPRIPMWCJUPK-INIZCTEOSA-N 397.099 5.637 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 13942812 HLVDPWGJLMNKPQ-LTGZKZEYSA-N 398.506 6.181 50 40 GKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)cc1 39884464 FOJOLXHNYKPYAR-GHRIWEEISA-N 390.870 6.269 50 40 GKGB CCCCCCCCCCCCCCCC(=O)N(CCCl)CCCl 104375571 XCLJZULCUIHCSU-UHFFFAOYSA-N 380.444 6.774 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(C(=O)O)cc1 107992177 HAVIVRUESVOWFM-OQLLNIDSSA-N 394.770 5.271 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)cc1Cl 408598942 LQEPFMZAKWNFCB-GRSHGNNSSA-N 381.306 6.774 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Cl)c2)c1C 408966599 MKIAMWVBVRVUDG-ZVHZXABRSA-N 379.891 5.074 50 40 GKGB Cc1c(C(=O)[C@H](Br)CBr)sc2ccc(Cl)cc12 575362247 PTUALPDRFBNWMP-SECBINFHSA-N 396.531 5.204 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C)n2)cc1OC 4063626 DZEYJICJKJDKIE-FOWTUZBSSA-N 377.469 5.112 50 40 GKGB CCc1ccc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 4175056 HHPUAMFKKIORCM-YVLHZVERSA-N 395.325 6.199 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O[C@H](C)c2ccccc2)cc1 4575095 DQUOOJUDQPXLRA-NDWLXSOOSA-N 382.463 5.681 50 40 GKGB O=C(N/N=C\c1cc(/N=N/c2ccccc2)ccc1O)c1ccc(Cl)cc1 4814102 RQGILUZADPLMOI-SFPXKAPDSA-N 378.819 5.225 50 40 GKGB COc1cccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 4860419 ZLDNLDYPCSNODW-QPEQYQDCSA-N 387.291 6.190 50 40 GKGB CCN(CC)c1ccc(C(=O)N/N=C(C)/C=C/[C@H]2C(C)=CCCC2(C)C)cc1 7026793 GJMGQLJVGFTRAE-ABMHTGCWSA-N 381.564 5.577 50 40 GKGB Clc1ccc(/C=N/CCSSCC/N=C/c2ccc(Cl)cc2)cc1 102942474 DUKFBDGIPYLWBD-JFMUQQRKSA-N 397.396 5.913 50 40 GKGB COc1cc(/C=N\c2cccc(Cl)c2)ccc1N(CCCl)CCCl 104067923 DICRDJAXRDLLJX-XKZIYDEJSA-N 385.722 5.383 50 40 GKGB CCCCc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408600619 DYBZSSRKJBZJFV-QFEZKATASA-N 398.865 5.846 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 408756117 TXVGVZUZMSZXMR-HAHDFKILSA-N 397.522 5.819 50 40 GKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl 408798824 XINHGSQFGYIIDL-LICLKQGHSA-N 398.890 5.300 50 40 GKGB Cc1cc(N(CCCCl)CCCCl)ccc1/C=N/c1cccc(Cl)c1 1872993 KHBFNLNBTSLJLK-BUVRLJJBSA-N 397.777 6.463 50 40 GKGB CC[C@@H](C)Oc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cccc1OC 4525073 JSGKISAIIPSRKV-DSQDWWTGSA-N 384.863 5.072 50 40 GKGB CC(C)COc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1 408602435 NSCZOLSEGNOURB-AFUMVMLFSA-N 386.451 5.385 50 40 GKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1Br 408774463 VVPUDCIMIGRTRU-YBEGLDIGSA-N 399.288 5.010 50 40 GKGB ClCCN(CCCl)Cc1c2ccccc2cc2c1ccc1ccccc12 1593132 SLWOLESNIHICCZ-UHFFFAOYSA-N 382.334 6.426 50 40 GKGB Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 4689682 ASXCHMFVKFUHGE-KGENOOAVSA-N 387.866 6.017 50 40 GKGB CC/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1 16712306 NOBUKXAGIWQAMU-QYQHSDTDSA-N 395.462 5.152 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 33708124 MIVWQRUJQHNIEW-WYMLVPIESA-N 386.904 5.440 50 40 GKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)c1cccs1 409016319 GWVOWCKGRSIHNM-ZDLGFXPLSA-N 378.931 5.378 50 40 GKGB CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccccc3Cl)cc2)NC(=O)N1 409369565 CZHRLUVOCBZUFG-IBGZPJMESA-N 395.890 5.097 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3c(C)cc(C)cc3C)n2)c1 4063797 XJGQUUXSCQGHNT-LDADJPATSA-N 375.497 5.721 50 40 GKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 4651822 RJQQBYFEZQWQGG-QADGXDPNSA-N 388.433 5.257 50 40 GKGB N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 96751815 LDPFWRKVDONSNR-LGMDPLHJSA-N 398.447 5.848 50 40 GKGB CC(C)=C[C@H]([C@H](O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1 98175062 FOACQDQSDXLHMH-DNQXCXABSA-N 382.484 5.277 50 40 GKGB C=CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 408548199 DVYWOQIVZVSFSJ-NDENLUEZSA-N 390.280 6.231 50 40 GKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)c3ccccc3)cc2Cl)cc1 409043060 PMEVZVTXWWFCIW-RGVLZGJSSA-N 394.301 6.945 50 40 GKGB N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1cccs1 409144762 PTHUFGWXVTUCII-LLVKDONJSA-N 395.336 5.327 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Cl)cc1 409194590 PVWFLQWRVWSWMW-BHGWPJFGSA-N 392.764 5.383 50 40 GKGB CCCCCCOc1ccccc1/C=N/NC(=O)c1cc(C)nc2ccccc12 3169170 BBAGYALEAJEITD-KOEQRZSOSA-N 389.499 5.266 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1nc2ccccc2[nH]1 4149580 RRDRNNAKPVQWBC-UKTHLTGXSA-N 390.786 5.449 50 40 GKGB Cc1cc2c(cc1C)N(C(=O)[C@H](C)Cl)C(C)(C)c1ssc(=S)c1-2 6189401 DOHOBENYMKYKBK-JTQLQIEISA-N 383.991 6.032 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc(C(=O)O)cc1 408543416 QYXONWXMDVJVPD-PTNGSMBKSA-N 397.908 6.315 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc12 408804637 ZDVZZKWTLUFOFI-OMNSNBSWSA-N 398.506 5.659 50 40 GKGB O=C(N/N=C1\CC2C[C@H]3CC1C[C@@H](C2)C3)[C@H]1CC1(c1ccccc1)c1ccccc1 5602566 FALMDOJBGCVECB-YRVCGLCRSA-N 398.550 5.311 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 5718555 SAKNVUUBZAXJRG-RCCKNPSSSA-N 398.462 5.210 50 40 GKGB N#C/C(=C/Nc1cc(C#N)c(C#N)cc1NC1CCCCC1)c1ccc(F)cc1 36559090 ARMFFPQZUWTWEY-CYVLTUHYSA-N 385.446 5.290 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2[C@@H](C)CC1(C)C 223543102 JFSNHHFIIMDJOA-MMDHUZEPSA-N 397.950 5.605 50 40 GKGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc2ccccc2c1 408762261 JWEREUVHBVJLTC-LICLKQGHSA-N 377.241 5.148 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408818487 VPIBHXKUCTXNBX-OBGWFSINSA-N 386.451 5.183 50 40 GKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 408887446 OMSYAABIUAJTAU-XMHGGMMESA-N 396.877 6.501 50 40 GKGB C=CCOc1c(CC=C)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1OCC 409075687 ZZCCDKUESJRFNV-XMHGGMMESA-N 386.451 5.584 50 40 GKGB CCO[Si](CCCCCCCCCCC1OCCCO1)(OCC)OCC 627274947 QLUNMSXBMTXUJR-UHFFFAOYSA-N 390.637 5.309 50 40 GKGB Cc1cccc2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(Cl)nc12 872603 WFIYMZXJSKELAL-FQEVSTJZSA-N 397.865 5.568 50 40 GKGB CCCC/C(=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1 5417462 BIDRUTJBAYJPOF-UPIHBEMDSA-N 396.534 5.703 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)c1cccc([N+](=O)[O-])c1 107614853 PDMQKSQNNWAXJY-PTNGSMBKSA-N 395.212 5.681 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)c1ccc2ccccc2c1 408549432 SSKXKFYCGJCSLE-IWIPYMOSSA-N 379.434 6.622 50 40 GKGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(OC(C)C)c1 408598757 AXKKBBYBUHMJAC-MFKUBSTISA-N 396.531 5.322 50 40 GKGB C[C@@H](Br)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl 2161651 WTLJGEUDWLUOSV-SECBINFHSA-N 389.076 5.508 50 40 GKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2s1 4040048 LCUHZCYFVGPRFI-SDNWHVSQSA-N 376.872 5.508 50 40 GKGB COc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(Br)cc1 226329007 DAEMOSJHLUWVKZ-UHFFFAOYSA-N 390.060 5.069 50 40 GKGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1Cl 409052212 GTQVLRXQGSYHAX-ZVBGSRNCSA-N 385.678 5.118 50 40 GKGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 5569696 BHDIKUFCPXVZBY-ZMOGYAJESA-N 398.890 5.535 50 40 GKGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc1 5646190 SIFHACKSQWTCFQ-NRFANRHFSA-N 392.462 5.010 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)c1cccc2ccccc12 6496588 CJWKWHNUWSUJQE-CJLVFECKSA-N 379.434 6.622 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 15223242 PMIFSTQAXHTPRJ-PDGQHHTCSA-N 390.527 5.841 50 40 GKGB Cc1ccc(S(=O)(=O)[C@@](Cl)(SCl)Sc2ccccc2)cc1 104198181 YGXIWLWSNVHZAK-CQSZACIVSA-N 379.355 5.298 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2C(C)=CC1(C)C 208516503 QTNQHUCNSKWXLB-UYRXBGFRSA-N 377.532 5.064 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408808526 PZOHGVOFJFAHSI-HMMYKYKNSA-N 384.479 5.791 50 40 GKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)c3ccccc3n2)cc1C 2761758 GFXMUUNUWQQELL-ZVHZXABRSA-N 385.492 5.344 50 40 GKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 35363239 SQUWVGQAYZVFPU-PTNGSMBKSA-N 388.298 5.385 50 40 GKGB CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95731030 NFJZCDSVAUNSRA-UHFFFAOYSA-N 389.543 6.731 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=C\C#N 118923056 ULTCYCMQPDCQLQ-SFGXCCCVSA-N 397.603 6.391 50 40 GKGB Cc1ccc2c(c1)C1=C(SS[C]1SC(=O)c1ccccc1)C(C)(C)N2C 334157768 AEFVKOCBOWOCPY-UHFFFAOYSA-N 398.598 6.393 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc2ccccc2c1 408551549 NETVIYNGEXDWFD-JLPGSUDCSA-N 395.889 7.136 50 40 GKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 408812119 LHBLESVJSLISAF-XMHGGMMESA-N 396.877 6.501 50 40 GKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](Nc1ccccn1)c1ccccc1 3200936 ZMNUFHGXEJDFIS-XMMPIXPASA-N 384.419 5.206 50 40 GKGB Cc1csc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 4791738 NFYSPTCWMCREOS-QPEQYQDCSA-N 387.327 6.007 50 40 GKGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 5444361 GDEIWDHIXLAAHZ-JVWAILMASA-N 399.881 5.709 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)cc1 6934972 JVUWBIJIBKNZTH-ZHZULCJRSA-N 376.887 6.210 50 40 GKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)c(C)c1 33792286 UQCLUBRDYTZORG-YUMHPJSZSA-N 390.530 7.237 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(F)c3)n2)cc1 96024169 DECNIQMRYLPZIB-AQTBWJFISA-N 377.488 6.124 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl 408568491 JUDOYJPZLCYZSI-SDQBBNPISA-N 386.213 5.085 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)cc2)c1 408806075 AONVHMDMELBPCY-UYDOQAKCSA-N 388.511 5.176 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c3ccccc3c(C)c3ccccc23)cc1 408998811 SGODEFRIMXDGPB-CYVLTUHYSA-N 376.459 6.156 50 40 GKGB O=C(CBr)c1ccc2cc(Br)c3ccccc3c2c1 1676773 BDHMAQXMGPVBBE-UHFFFAOYSA-N 378.063 5.333 50 40 GKGB CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4794177 RBXDNGRPGFWUGF-FOWTUZBSSA-N 390.468 5.818 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(Cl)c1 4838459 FTSAGINXQUVBPK-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)o2)c1 59137892 BXUZVDWLVQWUPC-VBKFSLOCSA-N 390.464 5.294 50 40 GKGB O=C(O)CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 137839426 NBGCGILQDRHHSS-UHFFFAOYSA-O 391.471 5.016 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)cc1 408792990 CNLLMJKUQJCYDQ-RIYZIHGNSA-N 375.255 5.110 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c(C)c1 409245359 RNYXDIKNKUCEAK-ZOLHPDHPSA-N 397.522 5.495 50 40 GKGB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)CSC#N)c3ccc(C)cc32)cc1 2317861 MPDFZCVQDFLGAO-HSZRJFAPSA-N 378.541 5.339 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1O 5717356 BPTITLLQYFETHK-XFXZXTDPSA-N 399.233 5.505 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59117572 VWKMHBJJBPTDFY-GXDHUFHOSA-N 375.255 5.328 50 40 GKGB COc1cc(/N=N\c2ccccc2C(=O)O)ccc1N(CCCl)CCCl 104184753 FJPCSXLXDDTALC-DQRAZIAOSA-N 396.274 5.093 50 40 GKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)cc1 408541874 GJFJKYDYFANDFH-JLPGSUDCSA-N 398.506 6.199 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1Cl 409019047 XXRGQHNWBDZLDG-WPBJZHHJSA-N 379.809 6.600 50 40 GKGB C[C@@H](C(=O)c1ccc(Br)cc1)[C@H](Br)c1ccccc1 1724913 PSXAPZIEBSHLHT-ABAIWWIYSA-N 382.095 5.404 50 40 GKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1 6209477 GEVAJQYMACTGMY-KGENOOAVSA-N 398.462 5.128 50 40 GKGB CC[C@H](C)n1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc21 33660856 DDNMYYAOKZEKLD-AEIQVQRHSA-N 399.494 5.538 50 40 GKGB CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408540157 NVGAVSIHLHEPNX-XMHGGMMESA-N 396.918 6.153 50 40 GKGB Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc([N+](=O)[O-])c1C 408744685 GMQGJEHHSVTGIZ-BOPFTXTBSA-N 387.395 5.017 50 40 GKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)Nc1ccccc1 409017123 FLLXDSLKFNZBTH-NDENLUEZSA-N 387.917 5.708 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(F)c1 409245532 VIGFBNUUPXZSTM-WBRURWICSA-N 387.458 5.018 50 40 GKGB N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4808286 XZFALPQQJHGLFU-JLHYYAGUSA-N 382.832 5.348 50 40 GKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 34880575 IQDYLLFQDDVESY-CXUHLZMHSA-N 377.425 5.100 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4Cl)cc3)[nH]c2c1 35147700 QBLABKAAPPMLBT-UYRXBGFRSA-N 399.881 6.168 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(C)cc1 59473294 PTBYVRXWPNKBGZ-NCELDCMTSA-N 388.536 5.582 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 408582284 MTESDFRMXBAOIH-DEDYPNTBSA-N 375.855 5.992 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 409013345 UPSBKXNPUNNIGA-CJMVGXJBSA-N 382.891 5.680 50 40 GKGB Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)c(Cl)c1 4544035 JWIJQFWAQQQBHB-DNOSGRFASA-N 392.846 5.533 50 40 GKGB C#CCn1c(C)c(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21 33594938 BTIWMVXXQQQVLX-DTQAZKPQSA-N 385.517 5.849 50 40 GKGB C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)[C@@H]1C[C@@H]1c1ccccc1 98055454 ROFUXMCDMXGKFY-UCCMKQODSA-N 375.497 5.028 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1C 408745217 QIHQDPLZJFPFLH-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)cc1 408851571 CZVHSKFMRWWFEA-VKAVYKQESA-N 375.859 5.239 50 40 GKGB CSc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409130334 HHGJTYOXGFMSFD-AWQFTUOYSA-N 399.368 5.099 50 40 GKGB CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)NC(=O)N1 409369566 CZHRLUVOCBZUFG-LJQANCHMSA-N 395.890 5.097 50 40 GKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(F)c1 409392446 MQPDDKGSKIMREF-HAHDFKILSA-N 379.434 6.622 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)c(OCCC)c1 5659164 QRQOHMMIBDJAJA-NBVRZTHBSA-N 375.472 5.215 50 40 GKGB COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1OC 17473993 QJLBHPLSJDONBH-XNTDXEJSSA-N 382.872 5.545 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(Cl)cc1 33470760 XFYODDMPQXBGCM-ZROIWOOFSA-N 384.218 6.016 50 40 GKGB N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc(F)cc1 35515981 QWWBXQJINCDUIK-ATVHPVEESA-N 383.382 5.180 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C)c2)cc1 96840526 IKCLAGOQKSHUDX-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB C=CCNC(SCCCCCCCCCCCCCCCC)=C(C#N)C#N 97949566 WQNDAOSHKMAABL-UHFFFAOYSA-N 389.653 7.235 50 40 GKGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C 408587465 GDIJYDIGBFLMAN-WGOQTCKBSA-N 397.478 5.020 50 40 GKGB Cc1ccc(SCCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 409135163 VGUCACRUPUAXIV-YZSQISJMSA-N 398.531 5.934 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)c3cccc(F)c3)o2)c(Br)c1 409391500 IIRUHJDKTWNIJV-RVDMUPIBSA-N 382.232 6.221 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OC(C)C 409391755 JQOQNPRCPUUGOD-CHHVJCJISA-N 390.252 5.448 50 40 GKGB CCCCCCCCCCCCOc1ccc(/C(CC)=N/NC(N)=O)c(O)c1 100943868 YQZBAIAOQSLQFC-HIXSDJFHSA-N 391.556 5.474 50 40 GKGB N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1cccc(C(F)(F)F)c1 207059535 YJXVNFSAAXSEGN-WQLSENKSSA-N 384.279 5.270 50 40 GKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2[C@@H](C)CC1(C)C 223535151 ISEHXEPUTWMLAE-YNGKYYQNSA-N 387.527 5.653 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OC(C)C 408550925 KSPPVPVPCJMFIY-NHDPSOOVSA-N 391.898 6.743 50 40 GKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Br)cc1 408580056 MUTGUOJUVYBNEZ-XNTDXEJSSA-N 376.681 5.955 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967690 RSOKAANAOWUJNK-CVKSISIWSA-N 391.490 5.295 50 40 GKGB Cc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(C=C(C#N)C#N)cc2)o1 5576489 SIEJOIAEPNNLEG-FQEVSTJZSA-N 384.464 5.436 50 40 GKGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(C2CCCCC2)cc1 5893682 ASOJDLHNPUFURY-HZHRSRAPSA-N 399.332 5.651 50 40 GKGB Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccccc2C)cc1 9201810 PEGNNOXFWQLZKS-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C 408806829 BVTJSPXBGBXJBQ-KGENOOAVSA-N 398.462 5.134 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(C)c2)c1C 408960902 PPQTWMWMMQGKLI-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccccc1Cl 409392102 KZONNYXDFLCUTH-ODLFYWEKSA-N 393.845 6.131 50 40 GKGB CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c1 4063735 SEGSELAOJHRTKC-SAPNQHFASA-N 393.487 6.105 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3cc(Br)ccc3OC(C)C)[nH]c2c1 4115202 RHXPBSKCDJSIHH-OQLLNIDSSA-N 396.288 5.485 50 40 GKGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 5920401 VOPDDOZDEHQGJT-BXDFRRGMSA-N 376.481 5.110 50 40 GKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1C1CCCCC1 6188701 AXMTVFUFTMCLRX-AQTBWJFISA-N 381.907 5.809 50 40 GKGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)c3cc(C(C)C)ccc(C)c2-3)cc1 13068771 MEERLPHTUAHZLX-MZJWZYIUSA-N 387.527 5.402 50 40 GKGB CCO[P@](C)(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 103439833 LZHXZBGBLSETHX-VWLOTQADSA-N 383.368 5.024 50 40 GKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1 207829672 YFUCIMUETKQUND-STZFKDTASA-N 398.462 5.128 50 40 GKGB O=C(c1ccc(-c2ccccc2)cc1)[C@@H](Cl)[C@@H](Cl)c1ccc(Cl)cc1 1685510 BLCZKULWNRFGQZ-PMACEKPBSA-N 389.709 6.777 50 40 GKGB CC[C@H](C)n1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc21 4090755 KBKWGOKTKGXMIZ-KTZOAPACSA-N 391.902 6.120 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc2cccnc12 33334719 SELXIYCXFPLLTQ-LGMDPLHJSA-N 399.837 5.694 50 40 GKGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Oc3ccccc3)cc2)cc1 216068708 YTONXGYFNYDQTD-XIEYBQDHSA-N 388.467 5.422 50 40 GKGB O=C(N/N=C\c1cc(/N=N/c2ccccc2)ccc1O)c1cc2ccccc2o1 408811590 MQJYJKATRJFWQX-GPZSIVENSA-N 384.395 5.318 50 40 GKGB CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 408886113 DLVQGIGLPFVHEH-OEAKJJBVSA-N 393.314 5.716 50 40 GKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408965333 VWKJTUCOEAUUFK-DHRITJCHSA-N 386.373 5.021 50 40 GKGB C[C@H](Br)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl 2161649 WTLJGEUDWLUOSV-VIFPVBQESA-N 389.076 5.508 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2c1 5728651 MCTONLXMSVEADK-GZTJUZNOSA-N 387.527 6.236 50 40 GKGB O=C(Cc1coc2ccc3ccccc3c12)NN(c1ccccc1)c1ccccc1 8381374 RLPIWYMDJLGDTP-UHFFFAOYSA-N 392.458 5.998 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C\C=C\c2ccccc2)nc1-c1cccs1 33305187 KASZIOZYBJRRNL-RVXWWDRGSA-N 377.494 5.450 50 40 GKGB CCOc1cc(/C=C(/C#N)C(=O)C(C)(C)C)c(Br)cc1OC(C)C 55051858 SWMAKDYATGZFGN-ZSOIEALJSA-N 394.309 5.157 50 40 GKGB C/C=C/[C@@H]([C@@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1 98175073 TXTZOAHOWWVHSJ-GWQUMRHPSA-N 398.527 6.057 50 40 GKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccccc1 107968464 QTXYLLZISBVTFM-CPNJWEJPSA-N 387.533 6.361 50 40 GKGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408871206 YKTCRMFIXKVTJU-VGOFMYFVSA-N 375.255 5.246 50 40 GKGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)o1)C(=O)Nc1ccccc1 408994498 ZLJZVKHUAMSYQT-SAPNQHFASA-N 397.459 5.525 50 40 GKGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)o1 959667 CDDDJCHUMDYQKO-OQLLNIDSSA-N 397.887 5.143 50 40 GKGB COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1 1253880 VYOLIJYJMFLOOI-SFQUDFHCSA-N 389.480 5.190 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C(F)(F)F)c3)n2)cc1C 4063743 OFBNYENLQXKAPQ-WJDWOHSUSA-N 399.441 6.422 50 40 GKGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 4083810 QYHADVFFFJZFNF-SSDVNMTOSA-N 392.673 5.201 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C\c3cccc4ccccc34)n2)cc1OC 4808524 YCGXMGIBQRFJCD-UNOMPAQXSA-N 398.487 6.045 50 40 GKGB CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(C)C)cc3)n2)cc1 6078048 FLROVJZLVJWODC-RCCKNPSSSA-N 387.552 6.283 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(C)cc2)o1 15227003 LLINARURIPGRIP-JXAWBTAJSA-N 388.492 5.847 50 40 GKGB CC(C)c1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409119059 PIWZEYPQBMRPPK-LSHDLFTRSA-N 395.355 5.500 50 40 GKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 409239127 CARHLLOZIMRBTL-LWLPBDFMSA-N 389.282 5.176 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)c1 1305538 IMSAHNTVUNGJER-GHRIWEEISA-N 384.464 5.343 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1cccc2ccccc12 6496623 HVUZVMMKFJYSKH-JCMHNJIXSA-N 379.434 6.622 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)c1nc2ccccc2[nH]1 6953965 JXBSOCLVWLMPSC-LDADJPATSA-N 385.854 5.859 50 40 GKGB Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2)cc1 40006613 JVPNLFQFFRSPJJ-HYARGMPZSA-N 382.463 5.428 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Cn1cnc2ccccc21 408691625 JDRCAWYBOWXATP-ZROIWOOFSA-N 394.261 6.210 50 40 GKGB CC(C)c1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(C(C)C)c1O 408856010 IJQWLNZSUCNFEO-LZYBPNLTSA-N 382.891 5.838 50 40 GKGB CC(C)(C)[Si](C)(C)OCCc1cnc2c(F)cc(Br)cc2c1 1848350375 JDGDMCXPSMWHGO-UHFFFAOYSA-N 384.365 5.701 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3Cl)n2)cc1 4823080 KLFZWNVBSKNDGC-NTCAYCPXSA-N 381.888 5.839 50 40 GKGB COC(=O)[C@]1(CCCCCBr)CCCCCCCCCCC1=O 5955448 KAFMNJQGYAERTN-IBGZPJMESA-N 389.374 5.585 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Cl)c1OCC 6354897 NVYBNESVOMQVJC-PDGQHHTCSA-N 377.871 6.355 50 40 GKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1 6629443 KCNFOLFQOLGJSZ-KQWNVCNZSA-N 399.494 6.409 50 40 GKGB Cc1ccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c(C)c1 8369274 OAYULGSPVIXBFA-UUYOSTAYSA-N 399.903 5.857 50 40 GKGB O=C(Cl)c1ccc2ccccc2c1-c1c(C(=O)Cl)ccc2ccccc12 8383170 MINRBGSAWNFXPX-UHFFFAOYSA-N 379.242 6.418 50 40 GKGB CCOc1ccc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 10475872 CWAIWEMRZYGDGM-YZSQISJMSA-N 382.463 5.085 50 40 GKGB CC[C@H](C)Oc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cccc1OC 12628578 JSGKISAIIPSRKV-HNDQUVLASA-N 384.863 5.072 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 15226939 USCWLPSSHZIRSS-DEDYPNTBSA-N 390.280 6.092 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)c1 35240061 UFICKLLOJISARV-UCQKPKSFSA-N 397.522 5.874 50 40 GKGB CC(C)c1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1ccc(Cl)cc1 40068194 ZFNBCWGTIGWYEG-UHFFFAOYSA-N 389.286 5.059 50 40 GKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C)c1 100839940 DFXDSDJKLQMGNP-STZFKDTASA-N 387.552 6.602 50 40 GKGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@@H]2Br 100848740 OSCXACVZPRKXIO-KCXAZCMYSA-N 391.136 5.522 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1)[C@H](C)CC(C)(C)N2C 208232602 ZLVAOGICQKSAHN-CJMVGXJBSA-N 391.490 5.402 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(F)c3)cc2[C@@H](C)CC1(C)C 223573528 IHIRNOBACUQTTK-MMDHUZEPSA-N 381.495 5.010 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(CCCC)cc1 408529384 HCTSSTUMMKNENO-JLPGSUDCSA-N 386.923 5.625 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 408582729 PPBZVEYFBPVXOZ-JJIBRWJFSA-N 391.470 6.492 50 40 GKGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c2ccccc12 408776405 NWOKKGHHFVYSHA-AQTBWJFISA-N 386.451 5.181 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1C 408809178 KNJWMKMHGZZKBH-UDIPQKBFSA-N 397.522 5.495 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(Cl)cc3Cl)o2)cc1 408854181 ZESWEJOYDRXLOE-UVTDQMKNSA-N 386.303 7.110 50 40 GKGB CC(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(C(C)C)c1O 408857501 HIBYNGFTCKLZNE-SRZZPIQSSA-N 398.506 6.338 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc2c(c1)OCO2 409363945 MQFLOKGAXODMJS-AUWJEWJLSA-N 393.782 5.091 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCc1ccccc1 1082486 VCJUZLCMNIRSHW-XNTDXEJSSA-N 397.261 5.477 50 40 GKGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1 6391886 VMEYEFWCJMJRTC-LGUFXXKBSA-N 391.559 5.735 50 40 GKGB O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccco1 7099544 QXGCYYIAHZHRBM-CVKSISIWSA-N 393.446 5.200 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 13601408 VBRZAPXCQVWTFR-PDGQHHTCSA-N 377.831 5.720 50 40 GKGB CCCOc1ccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)cc1 20197592 FBQITKFAULBUOR-PCLIKHOPSA-N 390.483 5.180 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1ccc(Cl)cc1 35316366 AFTCHFZHDKNFDC-IBGZPJMESA-N 398.853 5.101 50 40 GKGB C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1cccc(OC(F)F)c1 58953800 FELWSKIRXQJQFB-DOMZBBRYSA-N 375.506 5.179 50 40 GKGB C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 59489076 OMKIYLYSSZEQBG-VEILYXNESA-N 390.486 5.759 50 40 GKGB CC(C)O[P@](=O)(CCl)OCCCCO[P@](=O)(CCl)OC(C)C 104062994 UPPHLVLSXDATPC-SZPZYZBQSA-N 399.188 5.429 50 40 GKGB N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 408870436 DPTXLIPLMYHUBG-XMHGGMMESA-N 390.845 5.616 50 40 GKGB O=C(N/N=C\c1ccc2ccccc2c1)C1c2ccccc2Oc2ccccc21 100434399 BIYFUKHOIAGOKT-QQXSKIMKSA-N 378.431 5.228 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(Cl)c3)cc2C(C)=CC1(C)C 208515587 QCVSFLGWTYHOLB-AFUMVMLFSA-N 395.934 5.434 50 40 GKGB CCC(Cc1ccccc1)=NNC(=O)c1ccc(CNc2ccc(F)cc2)cc1 254310925 ZURXDOABGJSYTB-UHFFFAOYSA-N 389.474 5.176 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C 408848367 YFRJBOZOHWTBTP-STZFKDTASA-N 380.495 5.905 50 40 GKGB CC(C)c1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(C(C)C)c1O 408850865 SNBIBFOHZRYWJU-AUEPDCJTSA-N 393.314 5.710 50 40 GKGB O=C(CCl)Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1 3266450 ZGOJJMYIKCZHIF-UHFFFAOYSA-N 397.714 5.961 50 40 GKGB C[C@@H](Br)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 8615118 XKFXWHCSXIYNLB-SNVBAGLBSA-N 392.090 5.722 50 40 GKGB in-vitro Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)s1 13027744 SZSNTCKNELVDMD-DEDYPNTBSA-N 384.529 6.911 50 40 GKGB FC(F)(F)c1cc(P(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 98174967 MIICCQULONMDTC-UHFFFAOYSA-N 398.286 5.482 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)o1 408590531 PKNIZSZNYCVRIP-LSHDLFTRSA-N 390.270 5.066 50 40 GKGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccc(Cl)cc1Cl 408591898 VYXIOIHHMSPUBB-UFFVCSGVSA-N 392.311 5.226 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)c1 408747020 XYEKKQYSHZQUQN-RGEXLXHISA-N 384.435 5.423 50 40 GKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 408802207 XQDNIRBBGANUTE-GXDHUFHOSA-N 396.805 5.293 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCC 409368857 PWSLIIBPVDWJCV-MFOYZWKCSA-N 397.272 5.182 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)ccc3F)n2)cc1OC 875565 UWVUZLUQECIWJC-RVDMUPIBSA-N 395.459 5.251 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCCC(C)C 4811412 ZGJRIVRVAOJMPA-QGOAFFKASA-N 375.472 5.071 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1 15012228 SNCAUINXQIOQGN-QNGOZBTKSA-N 399.494 5.347 50 40 GKGB O=C=NP(Cl)(Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 97983190 GVMQWOQHYRLRFD-UHFFFAOYSA-N 380.637 5.754 50 40 GKGB Cc1cc2c(cc1/C=N\NC(=O)Nc1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C 223594396 FLBMTLAQJOBULM-AOBKZXEFSA-N 392.547 5.651 50 40 GKGB CCOC(=O)Cn1cc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21 408588278 VKTQXNFFGAQMNC-OQLLNIDSSA-N 399.277 5.575 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)cc1 1261515 YBZTZENKIAMYIS-GHRIWEEISA-N 384.464 5.343 50 40 GKGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 4082325 NWHPXJRIVOPQQQ-VMLIXWHFSA-N 393.575 5.600 50 40 GKGB biogenic N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1C(F)(F)F 23216110 ISDUGTDXYFTILF-DHZHZOJOSA-N 385.172 5.558 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 59255316 FIZKMYMODGVKCR-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(Cl)c3)n2)cc1 4175291 BNVGXJBBGUYHJP-FOWTUZBSSA-N 395.915 6.147 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc(F)c1)[C@H](C)CC(C)(C)N2C(C)C 223590761 KJWOAOOPSAJZED-OXVLKEGXSA-N 395.522 5.399 50 40 GKGB C/C(=N\NC(=O)CSCc1ccc2ccccc2c1)c1ccc(Cl)cc1 408725936 JKXNOPOYTOJSAD-HZHRSRAPSA-N 382.916 5.267 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ccc(Cl)cc2)o1 408792109 HZSBPRIWBDRFNZ-NTCAYCPXSA-N 394.883 5.938 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c1C 408805334 ACSMDWNAOLIMRL-ZSKRBOIBSA-N 389.543 5.313 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 408890991 JPNYTCPTSXHHSV-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1 863342 NGGPXMIJMNSDKH-SDNWHVSQSA-N 383.234 5.799 50 40 GKGB N#C/C(=C\c1c[nH]c2ccc(Br)cc12)c1nc2ccccc2s1 4933060 ZOWUXYHRNMRDBN-YRNVUSSQSA-N 380.270 5.604 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)NC1CCCCC1 5556745 DGUKSTQEVPJGTA-HKWRFOASSA-N 383.495 5.045 50 40 GKGB N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccc(Cl)cc1 6495158 FSBLLSSMGUOFTR-INIZCTEOSA-N 389.307 5.265 50 40 GKGB CC(C)CCN(CCC(C)C)CC(=O)/C(C#N)=C1/NC(c2ccccc2)=CS1 13125447 FWUBEFVUPZRZPW-ATJXCDBQSA-N 397.588 5.020 50 40 GKGB CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408581076 UEUJLGPPOJWBGC-KPKJPENVSA-N 397.099 6.219 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1 408583229 SPXNMWAHLXUVIM-FYJGNVAPSA-N 385.419 5.037 50 40 GKGB COc1cc(OC)c(/C=C(/C#N)c2cccc(Cl)c2)cc1Br 408599464 VGWXVHNTNQFOOU-MLPAPPSSSA-N 378.653 5.184 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)c1 408763734 OPHNSBQFUXKASO-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 4154848 QFTSHURRXBAVGW-ATVHPVEESA-N 388.879 6.788 50 40 GKGB Cc1ccsc1/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 13027781 UFSLNMPNADEEAM-DEDYPNTBSA-N 384.529 6.911 50 40 GKGB Cc1cc(C(=O)/C(C#N)=C\c2ccc(Br)cc2)c(C)n1C1CCCC1 96835760 OAOBMMCNKJHZRE-ATVHPVEESA-N 397.316 5.772 50 40 GKGB C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl 408580877 SFGRMNWIOFYYKW-WUXMJOGZSA-N 397.088 6.376 50 40 GKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)cc1 408739013 RGWWTGCGSKBJLU-LFIBNONCSA-N 377.787 5.500 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408797582 SAAKRYNHHRJHEK-KPKJPENVSA-N 395.673 5.591 50 40 GKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408801172 RYIIILJTOHDTID-RZKQZQCBSA-N 377.532 5.213 50 40 GKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1c(Cl)cccc1Cl 3212214 NGJOIQKMCQBRCS-ZMOGYAJESA-N 399.277 5.190 50 40 GKGB CC[C@H](C)/C(C)=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 4965143 KCEULTKIUOAHCQ-UJLHSTPFSA-N 397.569 5.740 50 40 GKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(F)cc1 8812212 UFOZPUYOYALBML-JVWAILMASA-N 398.437 5.322 50 40 GKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3nc4ccccc4s3)o2)cc1 8997466 YNKVGWHOHNZJGH-FOWTUZBSSA-N 385.448 5.410 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c1 24494505 LOGMQDZCKGWRTP-RCCKNPSSSA-N 398.462 5.210 50 40 GKGB CCOc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(Cl)cc1 33871193 RUGLJVYHNNXOCU-ONEGZZNKSA-N 392.680 5.617 50 40 GKGB ClC1=C(Cl)[C@]2(Cl)C[C@@H](CBr)[C@@]1(Cl)C2(Cl)Cl 97978491 DAASOABUJRMZAD-TYMKMJBOSA-N 393.750 5.233 50 40 GKGB in-vitro Cc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C3CCCC(O)=C32)cc1 102596644 IFUZWFIAFPABML-JOCHJYFZSA-N 386.520 6.198 50 40 GKGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Br)c1 108208146 PVLBLVXDVLFRIC-WDZFZDKYSA-N 396.071 5.302 50 40 GKGB C/C(CC(C)C)=N\O[Si](C)(O/N=C(\C)CC(C)C)O/N=C(\C)CC(C)C 196372456 RZPFCUACWXNGQN-PNAPYWFZSA-N 385.625 5.871 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1 408583869 XZEJRAHWDCOFLI-XSFVSMFZSA-N 375.855 5.992 50 40 GKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(Cl)c2)c1C 2159404 FLLCKVRMCMOGCJ-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CCCCC(CCCC)(Nc1ccc(Cl)cc1)C(=O)NNc1ccccc1 5417714 XNVDEPABCYSLIJ-UHFFFAOYSA-N 387.955 6.014 50 40 GKGB COc1ccc2nc3cc(Cl)ccc3c(NCCCSCCCl)c2n1 5734016 KAGNZQOYBGZGKS-UHFFFAOYSA-N 396.343 5.219 50 40 GKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3)n2)cc1 6306928 QZONRQFQZAPUEF-ODLFYWEKSA-N 378.928 6.726 50 40 GKGB C[C@H]1CCC/C(=N\NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 6314486 ZTYNXDPSOQTQJD-WZTHKDHVSA-N 392.528 5.151 50 40 GKGB N#C/C(=C/c1ccc(O)cc1)c1nc(-c2cccc(Br)c2)cs1 17149875 AUCRKPCGPVDAJV-ZSOIEALJSA-N 383.270 5.342 50 40 GKGB CCOc1ccc2ccccc2c1/C=C1\C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 33333310 WSDZKHMMDJLRBA-WOJGMQOQSA-N 392.462 5.247 50 40 GKGB CC[C@@H](C)n1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc21 33660854 DDNMYYAOKZEKLD-CIRUFVMISA-N 399.494 5.538 50 40 GKGB COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)NC3CCCCC3)c2c1 58834325 XQSRHBKRUGSZPQ-NBVRZTHBSA-N 399.494 5.199 50 40 GKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Cl)cc1 59249335 SMTLGKNJUBRRES-PTNGSMBKSA-N 396.277 5.638 50 40 GKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)cc1 197469811 MCORTWVZBHLXDD-AQTBWJFISA-N 377.827 5.841 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 408579964 MBFISMHBULBNSE-UDWIEESQSA-N 377.846 6.431 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc12 408796693 YWCBGIFDJWEKRH-SFQUDFHCSA-N 390.870 5.746 50 40 GKGB O=C(N/N=C/c1cccc(Br)c1)c1cc2c(ccc3ccccc32)o1 695039 HWOAXXBZRFRBNX-WSDLNYQXSA-N 393.240 5.112 50 40 GKGB CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccoc3)c3ccccc3n2)cc1 1003405 KTQQIGCZBDLFAG-MFKUBSTISA-N 383.451 5.211 50 40 GKGB CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N 1073562 GHVZMLZJKLDKJA-RIFZZMRRSA-N 390.918 5.206 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3Cl)n2)cc1 8201664 ANVDTJSQJOJXIY-MHWRWJLKSA-N 385.319 6.743 50 40 GKGB O=C(NNc1ccccc1C(F)(F)F)C1c2ccccc2Oc2ccccc21 12772535 AVKKRWHAHBHTPY-UHFFFAOYSA-N 384.357 5.086 50 40 GKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(Cl)cc3)cc21 208473544 JYCVZCHGIBDEKH-MFOYZWKCSA-N 383.322 6.689 50 40 GKGB CC(C)N1c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C 223550674 OECOEPSOKCKNRJ-BRLDDBHUSA-N 378.947 6.905 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)c1ccc2ccccc2c1 408553369 YDROOOCIPGZYIA-JLPGSUDCSA-N 379.434 6.622 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)Sc1nc2ccccc2[nH]1 408599190 PSZJXWMFNYFYCP-LFIBNONCSA-N 377.856 6.133 50 40 GKGB Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 408896222 QNSFXXVFXLSLEN-WPWMEQJKSA-N 394.474 5.491 50 40 GKGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12 409061971 KTDCCWYAOOWQQX-WWFUUPRNSA-N 384.866 5.810 50 40 GKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1 409232249 PMWAVLANFAQMHV-YZSQISJMSA-N 396.515 6.063 50 40 GKGB C[C@H](Cl)C(=O)N1c2ccccc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C 2294016 ZHQQSGSXSNYTQK-QKKBWIMNSA-N 376.327 5.789 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 3170537 DCWATODZFRMRCH-WGOQTCKBSA-N 381.479 5.070 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1cccc2ccccc12 4674089 LMHWFKBVQMJLIB-KGENOOAVSA-N 395.462 5.064 50 40 GKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)c(Cl)c1 5222346 SZJWUALFTDFDCD-ZVBGSRNCSA-N 397.714 6.016 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 12403734 BNYCPEDMYVZAIZ-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 59473491 SOSSZEIZEVGYNW-HZHRSRAPSA-N 388.964 5.411 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1F)c1ccc2ccccc2c1 408550963 LBKSDMIRFLCBNC-JLPGSUDCSA-N 379.434 6.622 50 40 GKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)o1 408566976 BZVYBSADHIXEIQ-JYRVWZFOSA-N 377.806 5.988 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 408866594 HGWJEYHXRPOGHL-PCLIKHOPSA-N 394.518 6.057 50 40 GKGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccc(Br)cc1 409234858 NJHPNYOADTUJLJ-AQTBWJFISA-N 397.316 5.512 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1 937111 KXXPXFUOMRUKAB-GXDHUFHOSA-N 393.786 5.054 50 40 GKGB O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1cccc(C(F)(F)F)c1 4524067 OSWWMLPYUPIQDB-FMCGGJTJSA-N 390.386 5.214 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)nc2c1 5387302 ZIJGBYMIWHQUHN-RVDMUPIBSA-N 393.368 6.214 50 40 GKGB N#C/C(=C\Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1nc2ccccc2s1 16545343 YJIBOTKQOWZZCO-MDZDMXLPSA-N 385.374 5.168 50 40 GKGB CCOc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1 33391514 NRBGQOGRTZQHMJ-ZROIWOOFSA-N 382.261 5.097 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 39884500 BCMGGLBLUWUGAR-SFQUDFHCSA-N 376.843 5.763 50 40 GKGB O=C(N/N=C\c1cccc(Cl)c1)c1sc2cc(Cl)ccc2c1Cl 408971090 LWHSAFSZQDNUNA-ZBKNUEDVSA-N 383.687 5.625 50 40 GKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C)c(Cl)c3)cc2)cc1 409051553 DZBOFPFZJHADCI-AFUMVMLFSA-N 392.886 5.300 50 40 GKGB O=C(CCCC[C@H]1CCSS1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 524729002 KEEREJHDSGVIDW-YJBOKZPZSA-N 389.590 5.331 50 40 GKGB biogenic Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 2281525 ISFMMCYWEINCIC-RAXLEYEMSA-N 386.307 6.402 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc([N+](=O)[O-])c3)n2)cc1C 4063681 QVYSYRABNMLXPC-LFIBNONCSA-N 376.441 5.312 50 40 GKGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1 15938761 CAWGZBRMNHGYNF-ZVHZXABRSA-N 389.326 6.195 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)OC1CCCCC1 33343721 KXQLDBAPOQLXHG-QINSGFPZSA-N 389.373 5.748 50 40 GKGB N#C/C(=C/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)cs1 33670161 SEXYXHCHHGSNJI-HMFGGZQFSA-N 393.855 5.992 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21 208447509 IOXMSNJZQPCUFS-BOPFTXTBSA-N 391.902 5.517 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2)c1 408870935 XNJIFHUTKNNEQT-PCLIKHOPSA-N 394.518 6.057 50 40 GKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c2ccccc12)c1ccccc1 409234201 NFDUYAQQLAIBRS-YQPBSLOJSA-N 395.506 5.224 50 40 GKGB CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1cccc(C)c1C 3177525 LFHBYYCUJNSQPG-UHFFFAOYSA-N 383.520 6.518 50 40 GKGB CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c1 4148682 UUGOQZOQGWHCCL-XMHGGMMESA-N 395.487 6.142 50 40 GKGB Cc1c([C@H]2[C@@H](CCNC(=O)CCl)C2(C)C)c2ccc3ccccc3c2n1C 5249819 FDDZAZIEQHYAGN-WIYYLYMNSA-N 382.935 5.125 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1 13512484 GWTXVLCYCBNNRY-WIBUTAKZSA-N 390.918 5.206 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(Br)cc1 59678553 HSIDKRZNHGSBQY-QINSGFPZSA-N 383.676 5.957 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)ccc3C)n2)cc1 100239423 UCMJBJJKFNUUQP-QGOAFFKASA-N 375.497 5.802 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc2ccc(F)cc2[nH]1 408568983 XVSCYLWVFDHULK-KPKJPENVSA-N 398.224 6.333 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OCC)c1O 408802139 DMAHRHWZWPMMAD-LICLKQGHSA-N 396.874 5.027 50 40 GKGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cccc3ccccc23)cc1Cl 409020202 MQKMWKWJWDHQCZ-MFKUBSTISA-N 387.870 5.356 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccc(C)nc34)n2)cc1 1253286 PALSORCAYHSGEF-CPNJWEJPSA-N 382.492 5.952 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)c1 5953788 LOGMQDZCKGWRTP-QNGOZBTKSA-N 398.462 5.210 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)c(OC)c1 6472884 QCYAHPTWOQTJIY-YVLHZVERSA-N 376.481 5.508 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 408536768 AZJRLHCHYXGFFV-DYTRJAOYSA-N 376.500 5.972 50 40 GKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(Cl)c1 409233787 XFRMFGGGLACAIQ-CIAFOILYSA-N 386.857 6.546 50 40 GKGB CC(C)c1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 4425594 XKUIHBSDHMESFS-YBFXNURJSA-N 398.487 6.104 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1Cl 6410806 PAAYZSMNZWTZDY-DTQAZKPQSA-N 376.843 5.438 50 40 GKGB N#C/C(=C/c1ccccc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 13633427 UCAOJAMFOAUZOM-DHDCSXOGSA-N 390.851 5.634 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C\Nc1nc(-c2ccc(Br)cc2)cs1 100942946 YGMJIFGXQLJQNZ-XFXZXTDPSA-N 390.306 5.007 50 40 GKGB CC1(C)CC2=NC(S[C@H]3C=CCCC3)=C(C#N)[C@@H](c3ccccc3)C2=C(O)C1 103521787 XITBMMXTHOGUEK-LAUBAEHRSA-N 390.552 6.434 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 108048734 DLKLFASIXCHVQM-KAMYIIQDSA-N 382.828 6.057 50 40 GKGB CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408538119 JHQITJOUVRECPH-GHRIWEEISA-N 398.890 5.550 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)c1ccccc1 409074969 VVWGPHGBTRSNRV-QGOAFFKASA-N 395.867 5.172 50 40 GKGB Cc1ccccc1CSCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 14166397 JYMMPGGWKJCMDM-CVKSISIWSA-N 398.531 5.685 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1nc2ccccc2[nH]1 51012329 DPZMUGVEIJUHFZ-OWBHPGMISA-N 389.256 5.180 50 40 GKGB CCCCCCCCCCCCCC[C@@H](Br)CBr 100075923 JFIKENUFKAQPIP-MRXNPFEDSA-N 384.240 7.236 50 40 GKGB CC(C)(C)[Si](C)(C)OC[C@@H](COCc1ccccc1)OCc1ccccc1 198071556 ZDJPNXOYWDZLEP-JOCHJYFZSA-N 386.608 5.810 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc21 208203161 XHXRZMGZJNXHQR-YQYFLZKSSA-N 395.344 6.235 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1cccnc1 408775746 URUIWYROJZOZMT-WQRHYEAKSA-N 378.273 5.316 50 40 GKGB O=C(NN=C1CCCCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 408861866 GJWBWXMMSSQILL-UHFFFAOYSA-N 389.543 5.075 50 40 GKGB CC/C(=C(/CC)c1ccc(N(CCCl)CCCl)cc1)c1ccccc1 1598127 HRJSUUVMQRAFOI-QURGRASLSA-N 376.371 6.701 50 40 GKGB Cc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2cccs2)cc1 3119489 LUGALHNKMNXIMA-QWHCGFSZSA-N 388.124 5.139 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 4933182 OQLSRKSQKJFYBV-ACXJOVJBSA-N 376.500 5.430 50 40 GKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1c(Cl)cccc1Cl 5515424 RZKDXBQUAQECCN-YPZZKDGISA-N 387.719 5.278 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21 208208746 RUMGLXFKPJVAHH-DISPHTKASA-N 393.918 5.608 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(C#N)c1 408568723 WHTIQPOQAYCOJO-DHDCSXOGSA-N 375.771 5.444 50 40 GKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 408578986 CFMJRXOCJODPBG-CPNJWEJPSA-N 388.854 5.422 50 40 GKGB Cc1ccccc1SCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 3193947 AFHPMVURSICRLM-MFKUBSTISA-N 384.504 5.544 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 4047675 NQPVSCZVVLBXGM-LTGZKZEYSA-N 397.522 5.937 50 40 GKGB CCc1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 6026823 RQSWAANPKSWKOY-RCCKNPSSSA-N 387.552 6.548 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)c(Cl)c1 6961515 LJBULTOQGSKYMY-YVLHZVERSA-N 395.821 5.859 50 40 GKGB CC(C)[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2[nH]1 42227154 HVCUZEMPAJWDFH-KBXCAEBGSA-N 377.579 5.090 50 40 GKGB biogenic O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc2ccccc2o1 59305126 BMOVLVCMJLJQNN-FOKLQQMPSA-N 399.233 5.764 50 40 GKGB Cc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)cc1 100295757 ZZYZSNODVVFFFR-MTFMMBMASA-N 388.374 5.124 50 40 GKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)o1 408548860 MIAIJUUWJQVWNW-ZHZULCJRSA-N 379.415 6.171 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC 408570036 RPDIQPMYBSXTQJ-QPEQYQDCSA-N 385.826 5.217 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OC 409343879 FTONAZBBKCXSKM-ZSOIEALJSA-N 392.680 5.574 50 40 GKGB CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2669654 BRKRYCCHESBWRI-OBGWFSINSA-N 396.443 5.665 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1cccc(Cl)c1 12363780 CIJANOXPBZOQRQ-ZROIWOOFSA-N 384.218 6.016 50 40 GKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccn1 16685100 LNMXAMFCFSAIBO-XMHGGMMESA-N 388.430 5.745 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCC4)c4ccccc34)[nH]c2c1 33682058 KWAFTUMDKAFVQK-CYVLTUHYSA-N 378.479 5.689 50 40 GKGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 59297334 WTYVUNADGOHTMT-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCC 408870349 VZOFIVZMAYHAMJ-GZTJUZNOSA-N 398.890 5.245 50 40 GKGB C[C@H](COc1ccccc1)N(CCCl)C1c2ccccc2-c2ccccc21 1673607 MOVVLGZPTVVAPA-GOSISDBHSA-N 377.915 5.765 50 40 GKGB CC(/C=N/NC(=O)CNc1ccc2ccccc2c1)=C\c1ccc(C(C)C)cc1 5727455 BJIJTYIMSWIZNC-IAHFHSLBSA-N 385.511 5.581 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3C)o2)cc1 59335503 PVXWOIUMKJKECC-WJDWOHSUSA-N 376.843 5.763 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2cccc(C#N)c2)c1C 107762691 KZDKIAILDDNZCH-NHDPSOOVSA-N 382.423 5.247 50 40 GKGB FS(F)(F)(F)(F)c1ccc(Br)c(CBr)c1 169806261 BYRXVMBPMGQFTB-UHFFFAOYSA-N 375.982 6.001 50 40 GKGB CC(C)(C)[Si](C)(C)Oc1ccc(P(c2ccccc2)c2ccccc2)cc1 245189536 OYGCHINHVXAYDG-UHFFFAOYSA-N 392.555 5.829 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Cl)cc1 409364905 WKSBSMILELRXBA-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 5756667 IMJPJKOPDAAZPB-POHAHGRESA-N 396.617 5.101 50 40 GKGB CC(=O)Nc1sc(/C(C#N)=C/[C@H](C)c2ccccc2)nc1-c1ccc(C)cc1 2377241 HMLPXJRHMDCKHB-UOEVCUDDSA-N 387.508 5.788 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3)n2)c(OC)c1 4795861 UYLAUWAZLYBEOH-NTEUORMPSA-N 382.872 5.545 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H]1C[C@@H]1c1ccccc1 5529288 DYLWTANGOMSXGW-QYPIABMHSA-N 399.277 5.507 50 40 GKGB CCOc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc1 6963711 DCIXYURUJHSNAT-GOSISDBHSA-N 398.915 5.011 50 40 GKGB C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=O 12318521 MQKDJZNKVQJXEX-FBKSUXFZSA-N 387.612 6.336 50 40 GKGB COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1 196859985 ODCVCBLUFQCUHW-UHFFFAOYSA-N 396.676 6.241 50 40 GKGB in-vitro N#C/C(=C/c1ccccc1OCc1ccccc1C#N)c1ccc2ccccc2c1 408550378 GTFSOVPPBRFKPW-QQXSKIMKSA-N 386.454 6.355 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OC(C)C 408807642 DPODHLFKPUXOMT-LICLKQGHSA-N 398.890 5.380 50 40 GKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1ccccc1 408887830 RNOCFWUFYUOYKH-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(Cl)cc1Cl 409010758 KZQJYXYNJRZLET-LSHDLFTRSA-N 377.202 5.156 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409044971 DZUFZLGBYNSKOJ-DNBCXDNYSA-N 396.918 5.195 50 40 GKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC 2670483 QVIQTAWFVURULC-XMHGGMMESA-N 378.472 5.118 50 40 GKGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1 4354944 ZVSPQSLUGOLEMO-CVAIRZPRSA-N 390.918 5.206 50 40 GKGB CCOc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(OCC)c1 4793400 IQRHGAKLITZYIT-LDADJPATSA-N 376.481 5.672 50 40 GKGB C/C(=N/NC(=O)[C@@H](C)Nc1ccc2ccccc2c1)c1ccc2ccccc2c1 5739223 WLHZCGPPNOWSOH-LSWALSBFSA-N 381.479 5.334 50 40 GKGB CCCCOc1cccc(-c2cc(C(=O)N/N=C(\C)CC)c3ccccc3n2)c1 5951683 AJFSVZGZIQDGQZ-YZSQISJMSA-N 389.499 5.596 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 6188704 MCNOPRJJGYJPEK-MOSHPQCFSA-N 383.520 5.970 50 40 GKGB N#C/C(=C/c1ccc(OCc2cscn2)cc1)c1nc2ccccc2s1 96991217 GJQOJFWIRWWCOU-DHDCSXOGSA-N 375.478 5.396 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 137576179 WYKAHKZSLMPDRI-PTNGSMBKSA-N 384.660 6.427 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1Cl 408578810 BCUKRXNOPSJDDW-FOWTUZBSSA-N 380.274 6.776 50 40 GKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1 408833753 UULBNIPUKQDEDG-RCCKNPSSSA-N 398.462 5.128 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C 408842751 BBIPTSSZBWQAEM-MYYYXRDXSA-N 385.467 5.167 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 6255998 CZFUBXAZGBJEAM-GXDHUFHOSA-N 386.307 6.402 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)cc1 6419024 UOFSBGOTGDJEFF-STZFKDTASA-N 380.495 5.905 50 40 GKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C 6962058 VESLMHXATOQAAG-UNOMPAQXSA-N 391.858 6.028 50 40 GKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl 20248915 ZZAMEHLSFOPUGM-KEBDBYFISA-N 387.719 5.279 50 40 GKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 59201694 XFINUXLAQACFRO-MHWRWJLKSA-N 399.288 5.010 50 40 GKGB CCCCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 408533457 RAENUGCQGKAPMY-RVDMUPIBSA-N 396.288 5.568 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1C 408567208 KTXHFPQRRCNZEY-ODLFYWEKSA-N 384.458 5.791 50 40 GKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)cc1 408598564 DMQXREQGVMDATQ-AQTBWJFISA-N 377.827 5.841 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)cc1 408757344 YSFBVUGNMOQBRY-STZFKDTASA-N 394.440 6.740 50 40 GKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 408991111 ZDCOGQXJGODCQT-BOPFTXTBSA-N 397.906 5.049 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl 409041110 IJMPKUADRMGONJ-OQLLNIDSSA-N 389.282 5.636 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3Cl)n2)cc1OC 6647138 CMQZXFWRVKECLA-OQLLNIDSSA-N 382.872 5.545 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(C(C)C)cc3)n2)c1 100839845 FQCZWPGVARUDNY-AQTBWJFISA-N 375.497 5.919 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c1 252508985 YAEGWGMFQSQQJN-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1-n1cccc1 408749967 VMZMUCKEFJBIEX-XIEYBQDHSA-N 381.435 5.034 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(C)C 408800708 ORJLAXSTSCYGFV-MHWRWJLKSA-N 384.863 5.072 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)cc1C 408856157 IRSMHNYRZJXRRN-LGMDPLHJSA-N 375.859 5.293 50 40 GKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 409014842 QIFOAAYVKOWBAY-WMJRALALSA-N 399.705 5.588 50 40 GKGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409248046 FRRNQKYFSBQNBX-OYKKKHCWSA-N 398.890 5.323 50 40 GKGB CC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1ccc(Cl)cc1Cl 641076 GMGHGTQEGVHHTB-UHFFFAOYSA-N 395.286 5.076 50 40 GKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccccc2Cl)o1 1107262 SVDFJMZUEOMKFK-IBGZPJMESA-N 394.858 5.051 50 40 GKGB N#CC(C#N)=C/C=C(\Sc1nc2ccccc2s1)c1ccc(Cl)cc1 12339449 FAZLHXTVIVXNMV-YVLHZVERSA-N 379.897 6.056 50 40 GKGB CCSc1ccc(/C=C(/C#N)c2ccc(OCCN(CC)CC)cc2)cc1 17324036 CWICUJLJBAOPNS-FXBPSFAMSA-N 380.557 5.583 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc([N+](=O)[O-])c1 33730568 IWOMZDZRNMHXGD-JLHYYAGUSA-N 385.206 6.226 50 40 GKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 34719822 SBJGWQPZFUNTIX-VBKFSLOCSA-N 384.863 5.073 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3[N+](=O)[O-])n2)cc1C 100839815 IDALZVRHWGWGMD-WJDWOHSUSA-N 376.441 5.312 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 209376514 CIIFAYSJYVOSFY-GDNBJRDFSA-N 397.261 6.108 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)c1cccc(Cl)c1)[C@H](C)CC(C)(C)N2C(C)C 223597078 YTSVTLXZZIZKFO-UTYYKHSJSA-N 392.974 7.213 50 40 GKGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2[C@H](C)CC1(C)C 260565597 JFSNHHFIIMDJOA-FRQJIFLKSA-N 397.950 5.605 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)o2)cc1Cl 409144881 LOPCUNYPGIPXPX-FSJBWODESA-N 387.266 5.255 50 40 GKGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 4550063 ULGFIFSPFJRMQN-HZHRSRAPSA-N 393.284 5.270 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)C)cc1 6961610 VYFIXNQKDFJBMA-HMAPJEAMSA-N 385.467 6.190 50 40 GKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)c1ccccc1 59399096 HEAIRHRLOWKENF-CPNJWEJPSA-N 387.822 5.349 50 40 GKGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408769658 YPFZJAMTQOGOMH-HKWRFOASSA-N 377.532 5.167 50 40 GKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1cccnc1 1245629 CGGYTXCMGQBWHQ-LSFURLLWSA-N 394.645 5.066 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ccccc4c3)n2)cc1 4817164 CPEKLGZKQJFMPN-HMMYKYKNSA-N 397.503 6.339 50 40 GKGB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\NC(=O)C[N+](C)(C)C 31959274 YYSKFWJSNVCJED-OFWARFKPSA-O 399.386 5.155 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C#N)c1 108931779 AHFNZQWUHOKUPB-MTJSOVHGSA-N 381.391 5.110 50 40 GKGB CC(C)Oc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(OC(C)C)c1 408586162 LPWRMFWZXAHUFA-MFOYZWKCSA-N 390.310 6.632 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2o1 409049853 YFINKZQLRNUASF-UYRXBGFRSA-N 396.402 5.169 50 40 GKGB Cc1cc(C(=O)NN=C2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1 3281907 IWSGLROHNGPONK-UHFFFAOYSA-N 391.474 5.257 50 40 GKGB CC[C@@H](C)Oc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cccc1OC 12628574 JSGKISAIIPSRKV-VQCBNXJZSA-N 384.863 5.072 50 40 GKGB CCCCc1ccc2nc(NC(=O)[C@H](Br)CCCC)sc2c1 20133001 HCSBXMSQNHBZDG-CYBMUJFWSA-N 383.355 5.531 50 40 GKGB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1c(C)cc(SC#N)cc1C 95471013 DWBQXUZNEJTYDV-VCHYOVAHSA-N 396.903 5.249 50 40 GKGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3Cl)cc2C(C)=CC1(C)C 208515850 UXGWCOBQDHSKKR-AFUMVMLFSA-N 395.934 5.434 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br 408578957 CAFAOUYNDRHKJU-XNTDXEJSSA-N 376.681 5.955 50 40 GKGB N#C/C(=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1)c1ccc(Cl)cc1 408579399 GXKJDXFXWDDXIE-UDWIEESQSA-N 389.838 5.681 50 40 GKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 408847804 SCCWBGRKSSZXTO-OWBHPGMISA-N 382.250 5.330 50 40 GKGB N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1cccs1 409144765 PTHUFGWXVTUCII-NSHDSACASA-N 395.336 5.327 50 40 GKGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 409392310 OVRPRTIRHUXUDY-ZXVVBBHZSA-N 378.475 5.512 50 40 GKGB N#CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21 6896905 DJZDSXSGCPVFST-LCYFTJDESA-N 395.249 5.017 50 40 GKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OC(C)C 59201253 XMAFPTKSQZAPFH-XDHOZWIPSA-N 378.472 5.035 50 40 GKGB O=C(N/N=C/c1ccccc1)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 229923544 HIDQBNZHKOCEDW-NNCCINRCSA-N 393.490 5.277 50 40 GKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1 408598967 MIBVXSFQIRWZIU-SDNWHVSQSA-N 388.408 5.388 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)CC)c(Cl)c2)cc1 409012205 JQKJHVMFLIXCDL-PWDRBQJJSA-N 382.891 5.625 50 40 GKGB Cc1ccc2[nH]c(C)c(/C=N/NC(=O)CSc3cccc4ccccc34)c2c1 409031005 FXQJAPRWPLYYOH-ZMOGYAJESA-N 387.508 5.180 50 40 GKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)o1 4511073 PCCQAQITABMKEW-PTNGSMBKSA-N 375.340 5.136 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)c(OCCC)c1 5591299 LXIRIODYADTCMS-GHRIWEEISA-N 378.497 5.938 50 40 GKGB CCOc1ccc2ccccc2c1/C=C(/C#N)c1ccc(Br)cc1 17077333 DKXGAIPXVBRYBX-LGMDPLHJSA-N 378.269 6.065 50 40 GKGB COc1ccc(Cl)cc1-c1csc(/C(C#N)=C\c2ccc(Cl)cc2)n1 34736886 QAAOJQCEDNKHNB-JYRVWZFOSA-N 387.291 6.190 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1C 59232824 FPDDTQPNKWUUFY-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC(C=O)=C(Cl)[C@@]4(C)CC[C@H]32)C1 267329337 UCTLHLZWKJIXJI-LJOUCLAASA-N 376.924 5.183 50 40 GKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 408581262 IAFMZRLJUMRCGA-XDHOZWIPSA-N 393.845 6.131 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)cc1 408765213 XIOFGADOOWDKEW-WPWMEQJKSA-N 395.506 5.574 50 40 GKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408805027 CKOFCIXQBJOFLL-XNTDXEJSSA-N 387.266 5.412 50 40 GKGB CC[C@@H](C)n1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 408965732 IECAUBIJUCHOJN-KWRYHKOTSA-N 387.405 5.395 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)cc1[N+](=O)[O-] 409177398 DFUPWXMCLKRWOB-ZVHZXABRSA-N 399.406 5.080 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(Cl)c3)n2)c(C)c1 2286869 IRHYQBYGQXLUEO-LFIBNONCSA-N 379.916 6.365 50 40 GKGB N#C/C(=C\c1c2ccccc2c(Cl)c2ccccc12)C(=O)NCc1ccccc1 3228546 XTGPPCRLGLQTOH-NBVRZTHBSA-N 396.877 5.870 50 40 GKGB CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N 4057735 WWRZBXNMCDMKHB-UHFFFAOYSA-N 380.542 5.738 50 40 GKGB aggregator Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)c(C)c1 5180157 JQRZXZDGYLRIRR-PDGQHHTCSA-N 390.870 6.071 50 40 GKGB COc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 6406991 ALGGJJGNLUSSHQ-NDENLUEZSA-N 386.407 5.247 50 40 GKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1C 28216980 FDAYIUGMNQAHTL-CVKSISIWSA-N 397.478 5.025 50 40 GKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 33850755 VCIDRVPCXQHSLR-UYRXBGFRSA-N 397.409 5.801 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223542713 LQZYVKYMIUGLKX-BIKZULFDSA-N 377.532 5.260 50 40 GKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408726434 SSWYBYIAGBKCDE-QVVMHPROSA-N 391.298 5.530 50 40 GKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 408801235 SPZLRUQMRDHNNI-IZZDOVSWSA-N 381.646 5.201 50 40 GKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)cc2)c1 408806073 AONVHMDMELBPCY-QILAFHCHSA-N 388.511 5.176 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1C(C)C 408852334 JREQHBOGCRBKQP-UDWIEESQSA-N 376.500 5.680 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)c2ccccc2)cc1 4575093 DQUOOJUDQPXLRA-QZMYASAMSA-N 382.463 5.681 50 40 GKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)NC12CC3CC(CC(C3)C1)C2 4646657 XJGJISBJNATLDH-JVWAILMASA-N 397.522 5.595 50 40 GKGB N#C/C(=C/c1ccc(Br)o1)c1nc(-c2ccc(F)cc2)cs1 6495473 LMNQDNIAIVZYPS-XFFZJAGNSA-N 375.222 5.369 50 40 GKGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 59433156 RVJBVALUSPSUJR-SSDVNMTOSA-N 389.238 5.026 50 40 GKGB Cc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1Br 408533483 SKYWIJGOWCCKCD-ZSOIEALJSA-N 377.079 5.584 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)cc1 408756997 VKEFXZBABVWPMU-ZVHZXABRSA-N 379.891 5.074 50 40 GKGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3cccc(Cl)c3)c2c1 408779675 HKNBYGZLZQOZPM-AQTBWJFISA-N 377.871 6.355 50 40 GKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Cl 408820427 XRCHWRBYYMQZQH-GHXNOFRVSA-N 379.218 5.077 50 40 GKGB N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1ccc(Cl)cc1 408881625 JQTWHSRUGSEZMF-XMHGGMMESA-N 390.845 5.616 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc(F)cc1 1050613 XMEHBFMOQLCLSQ-FYJGNVAPSA-N 377.422 5.765 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C)c1 4063760 DFXDSDJKLQMGNP-KGENOOAVSA-N 387.552 6.602 50 40 GKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 4106556 IRMBALKVNFPZQO-JNBCAHNCSA-N 397.522 5.291 50 40 GKGB COc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(OC)c1 4809004 SZSMLXJMXXRTQO-ATVHPVEESA-N 391.496 5.421 50 40 GKGB CCc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1cc(C)ccc1C 4957125 MUSCTFUTSHPRDU-SFQUDFHCSA-N 389.480 5.962 50 40 GKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 5569443 WXWDTOJEBILUHE-SRZZPIQSSA-N 391.279 5.502 50 40 GKGB CCCCCC/C(C)=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 15134726 MNJKSQGGAVXWKV-ULJHMMPZSA-N 386.923 5.995 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1 59335485 YFUSYSCFJOAEJN-UYRXBGFRSA-N 389.886 5.602 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 408540995 XBLIFAQEYIJCLR-HEHNFIMWSA-N 378.472 6.398 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 408583629 VXGIBMYXXLVORF-XSFVSMFZSA-N 375.855 5.992 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccc(Cl)cc1 408600935 HKJLYHMODIJCSP-FMIVXFBMSA-N 384.769 5.424 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)Cn1cnc2ccccc21 408691762 PEEOJMBBRRAYPV-UYRXBGFRSA-N 399.881 5.876 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)cc1 408754720 HGOYCBYEHSUNNN-HAHDFKILSA-N 397.522 5.819 50 40 GKGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc12 408809553 HLEWAYPGHIZJGA-WZXPENCHSA-N 390.527 5.476 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc2c(c1)OCO2 409366878 ZWOGNXLGCBPZHN-NDENLUEZSA-N 378.431 5.482 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCc1ccco1 1446762 TYRNFFPYGJBPIW-XYOKQWHBSA-N 387.222 5.070 50 40 GKGB O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccc(F)cc1 1717235 LGTRXEVPVKPBIG-UHFFFAOYSA-N 397.321 5.071 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 15013795 MCNOPRJJGYJPEK-DEDYPNTBSA-N 383.520 5.970 50 40 GKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(F)cc1 2252243 JGBKAPCQKQFYIF-JVWAILMASA-N 399.469 5.079 50 40 GKGB C1CCC(CSSCC2(N3CCCC3)CCCCC2)(N2CCCC2)CC1 4958338 MIGOHERKSIWGBN-UHFFFAOYSA-N 396.710 5.965 50 40 GKGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1 12619335 ZMAAMCJSXAJOHV-XDJHFCHBSA-N 388.442 5.974 50 40 GKGB N#C/C(=C(/O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 102645820 KBKTVXUYHHTTGD-RHIYNSOUSA-N 383.476 5.889 50 40 GKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 409120604 UPVSPZMZOWHMKM-IERINAHZSA-N 391.540 5.033 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(F)c4)cc3)[nH]c2c1 409390166 BVEOLRPTSMILGG-WQRHYEAKSA-N 399.425 5.354 50 40 GKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 1772085 CAYHMVHLUPFFBY-VBKFSLOCSA-N 385.448 5.202 50 40 GKGB N#C/C(=C\c1cccc(Br)c1)Sc1ccc(Br)cc1 3311323 OUSYTMXFMFINQQ-OQLLNIDSSA-N 395.119 5.868 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3Cl)n2)cc1C 6478078 RSSNAUDBBCAVMM-SXGWCWSVSA-N 385.319 6.798 50 40 GKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 6956921 QEYMUFZWJJHZNF-GHRIWEEISA-N 376.843 5.708 50 40 GKGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OCC 43079156 KLQVRCAYQIHOTM-UYRXBGFRSA-N 378.472 5.037 50 40 GKGB CC1([P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)C=CC=CC=C1 104121214 RGQLDHHVBGMFMY-UHFFFAOYSA-N 381.479 6.296 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408581078 UFHLOSOSQSEIEH-UDWIEESQSA-N 377.846 6.431 50 40 GKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 408799528 ZJRINNBTVANNJR-LICLKQGHSA-N 398.890 5.300 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(F)cc1 408849706 YHEPOQCHNQXKTL-FYJGNVAPSA-N 391.873 6.739 50 40 GKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1C1CCCCC1 409014207 GNMQZGJULXUAPX-CFRMEGHHSA-N 397.906 5.774 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)cc1 3097496 RQKLCCAYCWSZHG-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB COc1ccc(NC(=O)[C@H](Cl)Cc2ccc(C(F)(F)F)cc2Cl)cc1 4289181 UBPFJIGGYXKDNK-OAHLLOKOSA-N 392.204 5.156 50 40 GKGB C/C(=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccc(Cl)cc1 4746434 AQHSPVRXJDESHL-IWIPYMOSSA-N 394.906 5.083 50 40 GKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2ccccc2F)[C@@H]1c1ccccc1F 8783207 NZSKEYJKCPBBCA-NKSQBSFPSA-N 376.406 5.294 50 40 GKGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1C 12859333 YTCPKZHOYSBTCF-WYMPLXKRSA-N 396.874 5.054 50 40 GKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)c1ccccc1 59399079 OVGOFOVCRJRFNZ-CPNJWEJPSA-N 387.822 5.349 50 40 GKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)c1ccccc1 83306122 HRGKDSNXNDZBIV-XMHGGMMESA-N 387.822 5.349 50 40 GKGB CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@H]4C(C=O)=CC[C@@H]23)O1 96927596 MDYSLOGZXCWLSL-SNGSTBHLSA-N 382.544 5.213 50 40 GKGB biogenic Cc1cccnc1N[C@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 98008927 VWPRQMKAWHJVCR-QHCPKHFHSA-N 388.407 5.108 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)NCCCc1ccccc1 409231112 HKRPBZWQYHHBIT-CYVLTUHYSA-N 390.870 5.256 50 40 GKGB O=C(CCCCCBr)c1ccc(COc2cc(F)ccc2F)cc1 575358418 UATZUDGKHNSXCY-UHFFFAOYSA-N 397.259 5.682 50 40 GKGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1c(Cl)nsc1-c1ccccc1Cl 2555869 KJDJRVPTUDNZPG-UHFFFAOYSA-N 395.223 5.244 50 40 GKGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1Cl 5787937 MMMXGTPLIQMCAN-YDZHTSKRSA-N 393.314 5.210 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc2ccccc2s1 12360439 XDOQOCNKQWIKEV-ZRDIBKRKSA-N 397.286 6.927 50 40 GKGB C=CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408566509 HBXXUONESTWBGH-JYRVWZFOSA-N 398.235 5.093 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1 863343 NGGPXMIJMNSDKH-KAMYIIQDSA-N 383.234 5.799 50 40 GKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1cccc2ccccc12 3081694 NWWUFFDOACHZDG-YZSQISJMSA-N 382.463 5.085 50 40 GKGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)Nc1ccccc1S2 6312394 DGULAYAJOQGRLE-ZMOGYAJESA-N 393.899 5.702 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)cc1 107736688 WYBKLTBZFKZPTN-ONUIUJJFSA-N 376.503 6.874 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)o1 408585740 HUXPKCTUACJCAE-ZSOIEALJSA-N 399.233 6.534 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Cn1cnc2ccccc21 408691901 XCQXBAXYHZWFDJ-UVTDQMKNSA-N 394.261 6.210 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)cc1 408842744 CKUKJTPBQWWMIE-PEZBUJJGSA-N 391.858 5.075 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)c1nc2ccccc2o1 409046744 LVOOTWGCPMPBNE-PDGQHHTCSA-N 396.402 5.169 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3c(C)cc(C)cc3C)n2)cc1 2286765 KYUVVUHOVOUUAY-CPNJWEJPSA-N 389.524 6.111 50 40 GKGB ClC[C@H](Cl)CCCCCCC[C@H](Cl)CC(Cl)(Cl)Cl 2539147 IWXWHHDLRXAPJT-WDEREUQCSA-N 377.010 6.931 50 40 GKGB in-vitro Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCCl 6201748 FUXFDRLPYNWLDL-MRXNPFEDSA-N 395.717 5.915 50 40 GKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OC 6350876 GNSBZMYEIMYZOS-JYRVWZFOSA-N 376.225 5.060 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408790754 YGUKKKVKXMXUGC-GZTJUZNOSA-N 396.874 5.021 50 40 GKGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1 6282331 JGLFKIBOIAOMRO-XDHOZWIPSA-N 388.854 5.465 50 40 GKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(F)ccc3C)n2)cc1OC 13659261 FHWGJHIQOZSDJD-RVDMUPIBSA-N 395.459 5.251 50 40 GKGB CCOc1c(Br)cc(/C=C(/C#N)c2cccc(Cl)c2)cc1OC 408598528 CKAGCSTXCQIRNE-AUWJEWJLSA-N 392.680 5.574 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C 408759956 OVZBAYRLBKQMCK-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccccc1Sc1ccc(Cl)cc1 409246639 KALDNXNPZHZBDO-ZVHZXABRSA-N 398.890 5.323 50 40 GKGB CCOc1cc(Br)c(/C=C(/C#N)c2cccc(F)c2)cc1OCC 409391854 KAPGMNYWZJCVEI-NVNXTCNLSA-N 390.252 5.450 50 40 GKGB O=C(c1ccccc1)[C@@H](Cl)[C@H](c1ccccc1)[C@]1(Cl)CCCCC1=O 4770988 VXYDXULHYXNWKC-ZJOUEHCJSA-N 375.295 5.381 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)c1cccc2ccccc12 6496571 CWSQDRTUJBELSN-CJLVFECKSA-N 379.434 6.622 50 40 GKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Cl)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 12654453 VEIABLNKNSOQQY-XKMUXQCMSA-N 392.967 5.303 50 40 GKGB O=C(/C=C/c1ccccc1)[C@@H](Br)[C@H](Br)c1ccccc1 100045923 QWRCGOMWOXYYBU-CSLLIFPHSA-N 394.106 5.169 50 40 GKGB N#C/C(=C/c1ccc(Br)cc1)Sc1ccc(Br)cc1 3396056 OSTABKXTEYPGLV-DHDCSXOGSA-N 395.119 5.868 50 40 GKGB CCCCC/C(=N\NC(=O)CCC(=O)Nc1cc(C)ccc1C)c1ccccc1 4523935 HXJZFTDZXJQAPD-YYADALCUSA-N 393.531 5.123 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(F)cc1[N+](=O)[O-] 4822235 YZKRFSNQAWACCF-WSDLNYQXSA-N 398.265 5.077 50 40 GKGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)c(C)c1 5490476 LNIOVFQCDUZVFX-NRFANRHFSA-N 392.462 5.065 50 40 GKGB C/C(=N\NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc(Cl)s1 5657925 REBUHMNXIQQAIX-WSDLNYQXSA-N 389.883 5.102 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 14134325 JKTIHBVWOHVRGX-LSHDLFTRSA-N 393.657 5.671 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cn(Cc4ccccc4)c4ccccc34)nc2c1 33399283 QWEUBDIDLJUASV-ZHZULCJRSA-N 388.474 5.939 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1C 408791407 XFOUECHZUDICQT-SFQUDFHCSA-N 376.843 5.763 50 40 GKGB CCOC(=O)/C(C#N)=C(/C=C/c1ccc(Br)cc1)c1ccccc1 3308268 PBFSIJMCSZXPHU-JORZPGEESA-N 382.257 5.003 50 40 GKGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4832028 VMJOCLPWNXZNIE-PCLIKHOPSA-N 392.886 5.002 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)[nH]c2cc1C 408541751 DNDLPOBNNPRNCU-LICLKQGHSA-N 398.422 5.721 50 40 GKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)cc1[N+](=O)[O-] 408722948 OROUGNXAVCGOQU-ZVHZXABRSA-N 399.406 5.080 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)c1 408743930 IJEVLXYEHRHMFO-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1 408803297 NJBWJIFWKHEEBS-CKMDTHJYSA-N 383.495 5.187 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)c2cccc(Br)c2)cc1C(C)C 408854599 JDMXRLZPHBTDRY-VCHYOVAHSA-N 384.317 6.344 50 40 GKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1F 2064331 AOEMJEJKLUFLBM-UVTDQMKNSA-N 380.404 5.142 50 40 GKGB C/C(=N\NC(=O)CC(C)C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917383 KWDUBTUNXZJEDC-GQTMENJXSA-N 387.527 5.399 50 40 GKGB CC1(C)OC12[C@@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@H]2[C@H](Cl)C=C[C@H](Cl)[C@H]12 104292132 FXYSLPGYEHXPHE-JVHWOGIZSA-N 393.207 5.002 50 40 GKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408797497 RUIOMVGLRFBQFA-VGOFMYFVSA-N 375.255 5.165 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)C(c1ccccc1)c1ccccc1 409393233 WFIUYMCMQWRPAW-WPWMEQJKSA-N 398.437 5.368 50 40 GKGB O=C(N/N=C/c1ccsc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2109903 WWTLYBWFHSBEQY-FSJBWODESA-N 391.883 5.381 50 40 GKGB Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1 4063775 QBKGUPQLEJPWSL-KGENOOAVSA-N 387.552 6.602 50 40 GKGB Cc1ccc2nc(/C(C#N)=C/c3ccc(OC(=O)c4cccs4)cc3)[nH]c2c1 6407992 QXYPVJXRFOEQBR-FOWTUZBSSA-N 385.448 5.216 50 40 GKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)c1 28217387 VJICNJPIKXVTRL-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB CCCCCCCCCCCC(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-] 98045882 NFLGUUMELOGLBD-RCCKNPSSSA-N 381.904 5.619 50 40 GKGB COc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2)cs1 100296465 YFGRTWSXAAUOLM-RVDMUPIBSA-N 381.888 5.757 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1OC 408580241 BJKGHCGQYULYSX-DEDYPNTBSA-N 389.426 5.486 50 40 GKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1 408592073 XKLBZORIWMUSCL-YZSQISJMSA-N 387.527 5.084 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 408798672 WLOXJQMSOWFNLH-DEDYPNTBSA-N 386.426 5.259 50 40 GKGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2c1 408798981 XNRUALPHXBOOIO-LDADJPATSA-N 386.451 5.020 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408819191 WYTRYVRULRBBCP-HMMYKYKNSA-N 384.479 5.791 50 40 GKGB Cc1cc2nc(/C(C#N)=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)[nH]c2cc1C 6565406 VMTOQJQQDSAFNC-YVLHZVERSA-N 397.434 5.511 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)n2)cc1 36047384 IEQZVBKMSOZGJP-CXUHLZMHSA-N 377.425 5.050 50 40 GKGB CC(=O)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 101620883 SYBSATCTVLVXDL-UHFFFAOYSA-N 395.462 5.383 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)cc1Cl 108019369 JWJNODFODQNECX-DHRITJCHSA-N 396.849 5.130 50 40 GKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC 408579971 MCLULZDRCPVSQJ-XNTDXEJSSA-N 376.283 6.245 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1O 408589204 YZUQLRVUJMZYIK-WCIBSUBMSA-N 399.071 5.534 50 40 GKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C(C)C)c(OC)cc1C 408801686 BAMGSKUZDHJKBP-CXUHLZMHSA-N 398.890 5.335 50 40 GKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)c1 408967924 SUULXCSVLILDKH-BKUYFWCQSA-N 388.442 5.474 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 409200723 JXSATWPKKQAHQK-LGMDPLHJSA-N 392.867 6.464 50 40 GKGB CC(C)c1ccc(O[P@@](=O)(c2ccccc2)c2nc3ccccc3s2)cc1 3172293 LFELAGPSMNMTOT-SANMLTNESA-N 393.448 5.728 50 40 GKGB Cc1ccccc1OC[C@H](Cl)CSC[C@@H](Cl)COc1ccccc1C 5549273 NMVAPAHWJXYWRQ-ROUUACIJSA-N 399.383 5.709 50 40 GKGB Cc1ccccc1[C@H]1CC(=O)NC(SCc2cccc3ccccc23)=C1C#N 9334901 SDSMJIPOWRSGHY-OAQYLSRUSA-N 384.504 5.420 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1C 16162506 HRZHDHGZCICJJR-JCMHNJIXSA-N 383.495 5.511 50 40 GKGB N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 59116774 HFVYZRVIRGOEIM-QGOAFFKASA-N 390.389 5.089 50 40 GKGB C/C(=N\NC(=O)c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 59384102 JIQFUDJGIZQMKT-LFVJCYFKSA-N 378.859 5.073 50 40 GKGB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)CSC#N)c3)nc2c1 226328574 DLQCGKIEJQSGML-UHFFFAOYSA-N 385.876 5.424 50 40 GKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OC(C)C 408552045 ROGFDCFAKNUCLS-JMIUGGIZSA-N 377.871 6.353 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1 408895506 NCKXOLDKNGNSPH-RCCKNPSSSA-N 396.446 5.068 50 40 GKGB C[C@H](Cl)CN(C[C@H](C)Cl)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 1678232 ANGDJWZQAUECOB-STQMWFEESA-N 379.287 5.227 50 40 GKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 7159640 DBMNQUJPEIGXMC-FOWTUZBSSA-N 376.843 5.356 50 40 GKGB N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 4808258 LQSJQYCDTHMXII-PKNBQFBNSA-N 390.270 6.233 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Br 5771434 RXGZMSLUFXXSCK-YRNVUSSQSA-N 396.071 5.302 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)C)cc1 5986604 JUBGKAUDZXAVAJ-XKZIYDEJSA-N 385.467 6.190 50 40 GKGB CCc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 13027822 PUTQVKQHLDLXAQ-WOJGMQOQSA-N 384.460 5.543 50 40 GKGB N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1 100839813 FGKYFABWDYJQBE-RAXLEYEMSA-N 382.832 5.348 50 40 GKGB COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 408760870 ALIHPXUKYPLMEV-BKUYFWCQSA-N 385.419 5.037 50 40 GKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 408794489 SJQUOHAXWXCQNY-LICLKQGHSA-N 396.874 5.076 50 40 GKGB CC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 6930661 KAHBZFCWRVQICV-GZTJUZNOSA-N 398.300 5.550 50 40 GKGB CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1O 44827373 PUDBIPGIEDHUGY-YVLHZVERSA-N 376.481 5.595 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)c3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C 223576499 JTGPSYQXJMURAJ-BCUAHEQISA-N 378.947 6.825 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(Br)cc1 408532799 RBSRAFRKMYCTRI-KAMYIIQDSA-N 394.224 5.471 50 40 GKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccccc2)c1C 408741061 JWJNISYLLZEXOL-RGVLZGJSSA-N 391.478 5.103 50 40 GKGB CC(C)(C)C1=C(C#N)[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)NC(=O)N1 409370580 ALLPADUGUKHGFA-LJQANCHMSA-N 395.890 5.097 50 40 GKGB CC(C)(C)c1cc(NC2=CC(=C(C#N)C#N)c3ccccc32)cc(C(C)(C)C)c1 685944371 FTNPORQJZWYNPG-UHFFFAOYSA-N 381.523 6.549 50 40 GKGB C=CCSC1=C(C#N)[C@@H](c2ccc(OCCCC)cc2)C(C(C)=O)=C(C)N1 2271553 LTJICSKKCCBGLN-OAQYLSRUSA-N 382.529 5.070 50 40 GKGB COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1OC 6301386 AYCGLOBIWPDOHA-WOJGMQOQSA-N 376.481 5.508 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1O 6354860 FCPSDJHQMDPFNW-YBEGLDIGSA-N 394.268 5.771 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1 6622049 JHXLBMYDJDGPMO-STZFKDTASA-N 379.463 5.823 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1Cl 59447374 IGFBGBXCPZILRK-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB Cc1cc(N(CCCl)CCCl)ccc1/N=N\c1ccccc1C(=O)O 70667114 JRQFCUCILBFUNR-DQRAZIAOSA-N 380.275 5.393 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(Cl)c1 408599020 NUVHKPNSYIZIEX-LCYFTJDESA-N 385.206 6.226 50 40 GKGB Cc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccccc2Cl)cc1Cl 409016170 UUXGRGNCSJEHGL-UUYOSTAYSA-N 387.270 5.248 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1cccc(C(=O)O)c1 12363782 IPKSVZLPNFAHHH-ODLFYWEKSA-N 376.843 5.510 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc(Br)cc3)c2C)cc1 15013914 KMUZKDXINVUGSR-DEDYPNTBSA-N 391.312 6.229 50 40 GKGB CC(C)N(C(=O)C12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)Cl)(C3)C2)C(C)C 102130154 BVDVNYDKDKVENS-JCAIJIATSA-N 380.296 5.642 50 40 GKGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 954211 RKPOPEJFWLOXFH-OVCLIPMQSA-N 397.862 5.072 50 40 GKGB COc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1 4175299 ZQHJGHDEGVHRBJ-LFIBNONCSA-N 395.915 6.066 50 40 GKGB CCCC[Sn]1(CCCC)OO[C@@H](c2ccc(C)cc2)O1 195999596 FWOKHOXWWXFHOS-CZDIJEQGSA-M 385.092 5.014 50 40 GKGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1 408605227 XQEZVSNKHNPBDO-FYHAJLKWSA-N 386.451 5.527 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)Cn1cnc2ccccc21 408691717 NFUXTNVTRKYQEW-ZROIWOOFSA-N 394.261 6.210 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NC1CCCCC1 409005603 FMQYKWLSMSEWEG-MNDPQUGUSA-N 376.500 5.375 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2C)cc1C 409008155 USGUAYQJKGAHHL-OEAKJJBVSA-N 397.522 5.874 50 40 GKGB CCSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 2357779 PBRAKWJRACKTIS-HNNXBMFYSA-N 379.312 5.176 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 6791768 SQAFOWDZVBBBHS-LICLKQGHSA-N 391.452 5.353 50 40 GKGB CCOc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc1 6963679 DCIXYURUJHSNAT-SFHVURJKSA-N 398.915 5.011 50 40 GKGB O=[N+]([O-])c1cccc(/C=N\c2ccc3c(c2)[C@@H](Br)c2ccccc2-3)c1 104379403 JMAXOOIYEFBEBJ-YOYPMJMESA-N 393.240 5.810 50 40 GKGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1 408534317 VCMFIHWTPNDAHR-MSXFZWOLSA-N 398.812 5.302 50 40 GKGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1ccc2ccccc2c1 408550693 JDJIYOVFOWJUPF-ZHZULCJRSA-N 399.291 6.457 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nc2ccccc2[nH]1 408598589 FCUSQYVKDOXGAC-LFIBNONCSA-N 388.408 5.388 50 40 GKGB Cc1oc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)c(C#N)c1C 408691932 YNSWEHKJFXEWPJ-GRSHGNNSSA-N 395.466 5.133 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408872584 GTUHJWVQVUUWIV-FPDQSGDZSA-N 390.405 5.242 50 40 GKGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3cccc(C)c3)c3ccccc32)cc1 409268628 WVANJAYCTXSHSU-CVKSISIWSA-N 381.479 5.070 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)c(C)c1 1253869 OUKYTIIMXDCJCP-FOWTUZBSSA-N 389.480 5.175 50 40 GKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cc1ccccc1 59335833 GZHFFWZPPFBVGF-JWGURIENSA-N 382.463 5.140 50 40 GKGB CCO[Si](CCCCCCCCCCC(OC)OC)(OCC)OCC 196155487 LAJPMLLRVZLZTO-UHFFFAOYSA-N 378.626 5.165 50 40 GKGB CC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408733355 XQFGLQKPPURNKM-ITYLOYPMSA-N 379.463 5.281 50 40 GKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 408787437 ACJMVGYNEJCPIT-OVCLIPMQSA-N 389.282 5.555 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc12 408809383 LBWCLKFAZHMKNO-WXNAFCGMSA-N 398.506 5.803 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408947899 BPBKDAZDDZRMFG-DNBCXDNYSA-N 396.918 5.195 50 40 GKGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Oc3ccccc3)c2)[C@H]2CCCC=C12 1065443 GWWULIWUWIAJLT-GMAHTHKFSA-N 392.462 5.073 50 40 GKGB Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 2280598 MFOXTKKUIDQDDM-ATVHPVEESA-N 399.475 5.510 50 40 GKGB Fc1ccc(-c2nc3ccc(Cl)cc3c(-c3ccccc3)c2CCCl)cc1 3324485 OIGVLIVQEMUKPV-UHFFFAOYSA-N 396.292 7.143 50 40 GKGB CC/C(=N/NC(=O)[C@@H]1CC1(c1cccc(C)c1)c1cccc(C)c1)c1ccccc1 4405242 BBTUIYIQCPPHOL-ZUSYLBMNSA-N 396.534 5.540 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc2ccccc2c1 4503321 BMYZNOQAUVHDDH-YZSQISJMSA-N 380.447 5.183 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)cc1C 6332852 RTCIRMSXMAOKMK-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2nc3cc(Cl)ccc3s2)cc1 16291448 FUNFSAOWJOAESG-LSCVHKIXSA-N 393.924 6.365 50 40 GKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1C 33369860 CIAKLCVHWBTIEU-HAHDFKILSA-N 397.522 5.819 50 40 GKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C 33382642 IFYYPOKBCWPTNO-WOJGMQOQSA-N 386.886 5.996 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)c(Cl)c1 408585637 GTCMGGPCADSLSP-UNOMPAQXSA-N 380.274 6.637 50 40 GKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 408718904 UWYPXDWYNTVCRG-VEAAKBGXSA-N 396.918 5.195 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2C)c1 408760376 XOQHIGPQYCJLLI-WQRHYEAKSA-N 381.306 6.774 50 40 GKGB O=C(NNc1nc(-c2ccc(Cc3ccccc3)cc2)cs1)c1ccccc1 862853 YQBBFCMQEBEBPI-UHFFFAOYSA-N 385.492 5.158 50 40 GKGB O=C(c1ccc(-c2ccccc2)cc1)[C@H](Cl)[C@@H](Cl)c1ccc(Cl)cc1 1685509 BLCZKULWNRFGQZ-VQTJNVASSA-N 389.709 6.777 50 40 GKGB Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 5943149 MEQMMLNIDKVSDP-WGOQTCKBSA-N 399.494 5.135 50 40 GKGB CCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 8427000 LWFZLKYTDKBNKJ-NCELDCMTSA-N 395.547 5.256 50 40 GKGB O[C@H](CBr)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 17301213 XNMDILPXJMMUCF-QGZVFWFLSA-N 397.099 5.637 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 31885765 NNDUTKNTHIHBFL-PDGQHHTCSA-N 389.480 5.150 50 40 GKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)c1 408781946 DOWZSNYCTYQMPB-UYRXBGFRSA-N 377.488 5.164 50 40 GKGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccccc2Cl)cc1Cl 409014407 PLZWOQQDBCGFOJ-WLQYJRLHSA-N 380.275 5.326 50 40 GKGB O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1cc2cc(Cl)ccc2o1 409015538 NXWSSPBKWFVLIM-KSEXSDGBSA-N 382.778 5.249 50 40 GKGB COc1ccc(/C=C(\C#N)c2ccccc2)c(OCC(=O)Nc2cccc(C)c2)c1 409049193 VNUBIDQCIPNCDV-KGENOOAVSA-N 398.462 5.085 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1 409238274 WQKIWXYZEQDQAB-UZXDDYOISA-N 397.522 5.441 50 40 GKGB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1 409359814 BZDCUHBNFUGRSE-ULJHMMPZSA-N 384.482 6.907 50 40 GKGB COc1ccc(C(=O)N/N=C2\C=C(c3ccccc3)C[C@H](c3ccccc3)C2)cc1 5024497 LDRUQIWNRHFCNI-DRSALWLGSA-N 396.490 5.442 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccncc1 8157050 DRZDSWBRDHLVNE-BUVRLJJBSA-N 395.915 5.181 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59678254 AWYRPJMGTPFOOU-WOJGMQOQSA-N 376.843 5.510 50 40 GKGB Cc1n[nH]c(C)c1[C@@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102923147 NRQLIVJRIBKRAG-XMMPIXPASA-N 386.435 5.130 50 40 GKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 102954769 QJJNNURLXSWWIX-LVZFUZTISA-N 394.490 6.111 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 408543476 PIFVQIDOLCIVEE-GYXHFJGISA-N 375.472 5.430 50 40 GKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)Cn2cnc3ccccc32)o1 408691583 GRSMLOVXLQVVAO-YBEGLDIGSA-N 384.395 5.120 50 40 GKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408808157 DXEQIKCXKOYVDH-KNTRCKAVSA-N 398.462 5.349 50 40 GKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)o1 408959732 DVZZDCWERKTWAK-WJDWOHSUSA-N 397.352 6.036 50 40 GKGB CC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(F)c(Cl)c1 2281300 AGAXBNAKLUPOKM-UHFFFAOYSA-N 399.697 5.008 50 40 GKGB CC[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C(C)\C=C\c1ccccc1 13882087 MTRYHVBRSOHNQA-FBXMYWSASA-N 395.553 5.373 50 40 GKGB N#Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 95676682 ULNCTZJZNJCVFN-UHFFFAOYSA-N 378.435 5.052 50 40 GKGB CC1(C)[C@@H]2CC[C@H](C2)[C@]1(Cl)CSC(=O)S[C@H](Cl)C(Cl)Cl 104205834 HWKTUDBREZNAGP-WKRBSTNYSA-N 396.232 6.375 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)c(Cl)c1 260562964 DJBFEUQAAXFAJQ-IXBOPPFXSA-N 397.950 5.443 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 408550835 KFXFZTKJWUVPKB-NBZOHKLQSA-N 391.898 6.743 50 40 GKGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1C 409020426 PDMOWGHQQBWRNA-QRVIBDJDSA-N 380.879 5.212 50 40 GKGB Cc1cccc(OC[C@H](CCl)S[C@@H](CCl)COc2cccc(C)c2)c1 5619727 NTRZMPXIFJDBQT-PMACEKPBSA-N 399.383 5.709 50 40 GKGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C)c1 13955335 SXCBQYNWNFNYRE-MSXFZWOLSA-N 396.874 5.054 50 40 GKGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cc(Cl)ccc1Cl 16436947 MSHQZXBCZNDMHS-IZZDOVSWSA-N 385.172 5.558 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)cc1C 408742669 XRGYNJWSSJWQBT-JVWAILMASA-N 395.506 5.628 50 40 GKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1 408796591 ANPTWPWSZIZVFY-LYEVVCBYSA-N 392.474 5.007 50 40 GKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)s1)c1nc2ccccc2[nH]1 4740774 LCWLSDNORFXRPI-ACCUITESSA-N 393.924 6.493 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c(C)c1 6209831 QWYDHUWKEILYRE-PXLXIMEGSA-N 382.463 5.428 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1cccc(Cl)c1 408959595 BQRPPLJNFSVGDD-NDENLUEZSA-N 389.838 5.681 50 40 GKGB C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@@H]12 2038406281 NJHIQSIODLRTDP-YBNMXQHESA-N 391.559 5.376 50 40 GKGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2284859 YSSJXOIMSCGOSN-FOWTUZBSSA-N 391.496 5.421 50 40 GKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc2ccccc12 3023518 FQUWRXXUFCMFBX-YZSQISJMSA-N 380.447 5.036 50 40 GKGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)o1 408548865 MLCYODAXFWITNZ-BKUYFWCQSA-N 379.415 6.171 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408790497 WNYOKYHUVMVVNI-KPKJPENVSA-N 395.673 5.591 50 40 GKGB CC(C)CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2669732 DKQQCQZTZMHBMS-RVDMUPIBSA-N 377.362 5.462 50 40 GKGB O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1CCCCCCBr 67340221 RLVFKXFYYJWUIR-UHFFFAOYSA-N 394.696 5.045 50 40 GKGB N#C/C(=C/c1ccccc1I)c1cccc(C(F)(F)F)c1 107868868 CGFKXAVENRGJSY-JYRVWZFOSA-N 399.153 5.374 50 40 GKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2)cc1 409390547 FTWUDFRYIOCKCQ-MOSHPQCFSA-N 386.426 5.216 50 40 GKGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 694386 LELNMSABCPMVHK-PCLIKHOPSA-N 385.467 5.196 50 40 GKGB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)N/N=C/C=C/c2ccccc2)cc1 4412710 SDKCXJSIDABMCJ-MFESOFQKSA-N 394.518 5.425 50 40 GKGB N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)c1nc2ccccc2[nH]1 5908737 UXRAFWGISICQEW-SDNWHVSQSA-N 390.240 5.650 50 40 GKGB Cc1ccccc1[C@@H]1CC(=O)NC(SCc2cccc3ccccc23)=C1C#N 9334900 SDSMJIPOWRSGHY-NRFANRHFSA-N 384.504 5.420 50 40 GKGB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)o1 408586627 OHNMBXWIHDCHMQ-UVTDQMKNSA-N 398.245 6.104 50 40 GKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408984456 RIQUFVRBLDILPT-BOPFTXTBSA-N 396.874 5.158 50 40 GKGB CN(C(=O)C(Cl)Cl)c1ccc(-c2csc(-c3ccccc3)n2)cc1 1567672 ZDBKYQGNGSAISE-UHFFFAOYSA-N 377.296 5.244 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1nc2ccccc2[nH]1 17200710 JAGUUFWPKNAPSG-KAMYIIQDSA-N 390.240 5.650 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1 39884394 AZNSJEFARWFLJZ-FOWTUZBSSA-N 387.395 5.017 50 40 GKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)cc1 59233070 OUWXFQCJQJCSHK-XQNSMLJCSA-N 396.490 5.682 50 40 GKGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(Cl)cc3Cl)sc2c1 109027589 HOKAYWANTVLMGM-WNFQYIGGSA-N 397.714 5.934 50 40 GKGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccc(Cl)cc1 1250957 QHRHLXDYZHJHLH-OYKKKHCWSA-N 388.858 5.037 50 40 GKGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 6926125 RBSLGDADIQHWMZ-UHFFFAOYSA-N 398.599 5.814 50 40 GKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 33438346 WKFUZJOAEKGWGY-LTGZKZEYSA-N 376.500 5.808 50 40 GKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 36174347 DKYZUIAAXXGUIA-LSHDLFTRSA-N 377.202 5.156 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1 40006610 IFDTVYFFPXLREX-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB N#C/C(=C/c1cc(/N=N/c2ccccc2)ccc1O)C(=O)NCc1ccccc1 408746205 CFCCMSHPBDSOCH-OEQVWFDQSA-N 382.423 5.031 50 40 GKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(Cl)cc1 408767798 OLTSOKZHAXCDEJ-KAMYIIQDSA-N 377.856 6.025 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)c1C 408801211 SILJALCOJGJKCM-DEDYPNTBSA-N 387.458 5.396 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1O 6227931 PCIZMCDVDRJLOA-XFXZXTDPSA-N 399.233 5.505 50 40 GKGB Cc1ccc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)nc2c1 9263437 RLZABVZPMZONHV-VCHYOVAHSA-N 396.450 5.072 50 40 GKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 408878194 XXOAQLVMCOZXNQ-LFVJCYFKSA-N 380.491 5.748 50 40 GKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccccc1C#N 409392492 MWYRCPJYFJIFCU-UUYOSTAYSA-N 398.437 5.739 50 40 GKGB O=C(N/N=C/c1ccc2ccccc2c1)c1ccccc1OCc1ccccc1 3167418 MQLAEXSDBKZMEO-YZSQISJMSA-N 380.447 5.183 50 40 GKGB Cc1ccc(OCCOc2ccc(Cl)cc2/C=C(/C#N)c2ccccc2)cc1 4196613 GXWVYXXGUPMJRE-QNGOZBTKSA-N 389.882 6.170 50 40 GKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)cc1 4784513 PHWRMTUMDUCQEI-FTWDSPQQSA-N 394.446 5.128 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953683 XYCKLVNCTJSTHF-BJMVGYQFSA-N 396.617 5.101 50 40 GKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21 208192063 YVIGRDCTFYCBJC-QJISPJEISA-N 393.918 5.608 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc12 408801369 AHNOKGQUDROMIF-RELWKKBWSA-N 398.506 5.285 50 40 GKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1 409343866 DQTDWGRNIYFBFR-HAHDFKILSA-N 395.889 7.136 50 40 GKGB O=C(OOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 1851007 WRXCBRHBHGNNQA-UHFFFAOYSA-N 380.010 5.229 50 40 GKGB O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(F)cc1 4813989 LWLDBAVVBCCRMA-YVNNLAQVSA-N 377.202 5.156 50 40 GKGB COc1cccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccc(C)cc4[nH]3)c2C)c1 6547020 OBQXSJNACZJLQC-XDHOZWIPSA-N 382.467 5.352 50 40 GKGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1sc2ccccc2c1Cl 17077874 PBENNUZIOXHXQB-JJFYIABZSA-N 380.856 5.177 50 40 GKGB CCCCCCC/C(C)=N/NC(=O)c1ccccc1OCCOc1ccccc1 102990122 QSXCCQKRUIDIRO-LKUDQCMESA-N 396.531 5.611 50 40 GKGB CC(C)N1c2ccc(/C=N\NC(=O)Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223546248 UKLOTBRVVIDKIL-HZRSJKMUSA-N 378.520 5.343 50 40 GKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)cc1 408787104 RMGXBDDQJKKGDD-STZFKDTASA-N 388.442 5.474 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(C)c2C)c1C 408964993 FHBXHZSYIKRXTD-MYYYXRDXSA-N 388.515 5.429 50 40 GKGB Cc1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 408996239 GWVXKRZXNLWFTK-ZMFRSBBQSA-N 399.416 5.185 50 40 GKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)CC)c(Cl)c2)cc1 409012878 LHCZLTRQPSQIAX-ZKMNFCBKSA-N 398.890 5.462 50 40 GKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1ccc(Cl)cc1 2849441 XSOZJXOYJXMDRJ-LFYBBSHMSA-N 382.630 5.174 50 40 GKGB COc1cccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccc(F)cc4[nH]3)c2C)c1 408570662 XMDVFPDVRBFYLH-LICLKQGHSA-N 386.430 5.182 50 40 GKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408801192 SDHGHCWJKNXCDD-HMMYKYKNSA-N 384.479 5.791 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408852373 KAIZMCUZVRTKRM-AQTBWJFISA-N 388.492 5.902 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cc(C)ccc1C 409007072 MTKGAVUHYVNPSO-PGMHBOJBSA-N 398.506 6.181 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1cccc(F)c1 409390051 DIHMIKFUSYOYMS-HAHDFKILSA-N 379.434 6.622 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)cc1 756482 XXUVVLCIKCJTEM-KAMYIIQDSA-N 393.786 5.054 50 40 GKGB Cc1ccc(C(=O)[C@H](Br)[C@H](Br)c2cccs2)cc1 2555907 LUGALHNKMNXIMA-CHWSQXEVSA-N 388.124 5.139 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1C 4805487 CRPPQAIGCFSNBD-LFIBNONCSA-N 376.441 5.312 50 40 GKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 6473797 IUDVGSSTVZLTHH-UNOMPAQXSA-N 390.826 5.891 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccccc2F)c(C)n1-c1ccc(Cl)c(Cl)c1 33556281 XPGYLTUZWWSSAM-MHWRWJLKSA-N 385.269 6.604 50 40 GKGB Cc1ccc(S(=O)(=O)[C@](Cl)(SCl)Sc2ccccc2)cc1 104198178 YGXIWLWSNVHZAK-AWEZNQCLSA-N 379.355 5.298 50 40 GKGB CCOc1ccc(/C(C)=N/NC(=O)CSCc2ccc3ccccc3c2)cc1 408727501 QBQASHMFJDYOCB-JJIBRWJFSA-N 392.524 5.012 50 40 GKGB CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CNCCCl)c1 1681163 KBWOPIAJIUGGND-SFTDATJTSA-N 375.940 5.417 50 40 GKGB Cc1ccc2c(c1)-c1c(c3c(c4c1-c1cc(C)ccc1CC4)C(=O)OC3=O)CC2 104259428 JWSPOXWSLJIANC-UHFFFAOYSA-N 380.443 5.145 50 40 GKGB CCN1c2cc(C)c(/C=N\NC(=O)Nc3ccccc3)cc2[C@@H](C)CC1(C)C 223575259 QTNLSZUKMCCYIX-HZRSJKMUSA-N 378.520 5.263 50 40 GKGB Cc1ccc(/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408581491 XGZBHTQDDVMIEL-RCCKNPSSSA-N 389.476 5.135 50 40 GKGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c1 408588238 IMYIURPTFVLTAH-ZMOGYAJESA-N 379.891 5.128 50 40 GKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Cn1cnc2ccccc21 408691912 XTZQIFYKNPKKNL-GDNBJRDFSA-N 393.368 5.922 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 1912714 UWWCWNVGFIZDDS-LVZFUZTISA-N 389.499 5.011 50 40 GKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccnc1 5781381 RNNRQGPSFOZCTJ-BUVRLJJBSA-N 395.915 5.181 50 40 GKGB CC[C@@H](C)n1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21 6938593 ZBFWVTKWIAEKKY-AQXNZCSYSA-N 399.947 5.508 50 40 GKGB CCCCCCCCC(=O)N/N=C(/C)c1ccc(NC(=O)C2CCCCC2)cc1 8398208 GNZGAFRCNINOJP-XHPQRKPJSA-N 399.579 5.796 50 40 GKGB N#C/C(=C\c1ccc(OCc2ccc(C#N)cc2)cc1)c1nc2ccccc2[nH]1 9187371 JBOAKAXZXYWOHQ-DEDYPNTBSA-N 376.419 5.078 50 40 GKGB N#CSCC(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 226327985 GALJKXPQAUJPDF-UHFFFAOYSA-N 385.448 5.315 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)[nH]c2c1 408961865 OTWNVLUDKRWOPN-WJDWOHSUSA-N 383.407 5.202 50 40 GKGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C 408965173 GSGYYQBDXDGOJW-ZVHZXABRSA-N 379.891 5.074 50 40 GKGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Cl)cc1 409006076 HKJCWPKCTBJJCD-IWIPYMOSSA-N 380.875 5.436 50 40 GKGB C/C(=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(O)cc1 4361280 CKFBIMNKPYBEDF-UQQQWYQISA-N 396.531 5.025 50 40 GKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 4645094 WUZXDSMQXRGFDD-GDNBJRDFSA-N 397.297 5.645 50 40 GKGB N#C/C(=C\c1ccc(Br)cc1)c1nc2c(s1)CCc1ccccc1-2 4980082 CUVVRMJYLGCKAC-RVDMUPIBSA-N 393.309 5.735 50 40 GKGB Cc1ccc2nc(SCC(=O)N/N=C/c3cccc4ccccc34)cc(C)c2c1 5006897 MYEOIZGWMQFLLV-AFUMVMLFSA-N 399.519 5.247 50 40 GKGB N#C/C(=C/Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2o1 5568055 ZXVXQZYPNDAWEW-HJWRWDBZSA-N 375.171 5.019 50 40 GKGB COc1cc(Br)c(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC 6169916 NJFNYAXSRAQWSY-QPEQYQDCSA-N 378.653 5.184 50 40 GKGB CC(/C=C\c1ccccc1)=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 33685344 RVSSFADLPULGQQ-IGMDISMYSA-N 391.474 5.721 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)c1C 208206749 MOGYQZFTOILRNC-SYERDGIWSA-N 387.527 5.571 50 40 GKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 409013347 UPSBKXNPUNNIGA-GYXHFJGISA-N 382.891 5.680 50 40 GKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)c1ccccc1 409048292 SGEZCNXOJVYCSN-CPNJWEJPSA-N 388.854 5.422 50 40 GKGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1cccc2ccccc12 409195925 SQXWSJLEESFTFO-BUVRLJJBSA-N 387.508 5.002 50 40 GKGB O=C(c1ccccc1)[C@@H](CBr)[C@@H](Br)c1ccccc1 1660022 KUFJRYXCKFQGHE-GJZGRUSLSA-N 382.095 5.017 50 40 GKGB Cc1cc(/C=C(\C#N)C(=O)OC(C)C)c(C)n1-c1cc(Cl)ccc1Cl 3291937 MNEAZLNVXJLGKN-OVCLIPMQSA-N 377.271 5.260 50 40 GKGB CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(CCBr)cc1 4852977 CQHBCYBMQUDJCP-UHFFFAOYSA-N 397.312 5.390 50 40 GKGB N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2cc3ccccc3o2)cs1 5602037 MMJHTZLTDPGRHS-OQLLNIDSSA-N 396.393 6.639 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c(Cl)c1 9190621 JWIJQFWAQQQBHB-JLUADYMRSA-N 392.846 5.533 50 40 GKGB CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F 103528173 GKAPFTMMZYTSLC-JTQLQIEISA-N 386.186 6.128 50 40 GKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570427 UXERRPKARUGWGS-OBTCNRAFSA-N 399.853 5.605 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)cc1 408858330 RUSMROWZIXXMCM-ATVHPVEESA-N 385.492 6.297 50 40 GKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1Cl 408870537 GFBUMPKSJIRQGB-RCCKNPSSSA-N 386.882 5.785 50 40 GKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccc(Cl)c1Cl 409392739 NJUOIDFTOQMZPM-YVLHZVERSA-N 385.269 6.604 50 40 GKGB O=C(Cc1cccs1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 59513551 ULTJVWYCOWUOCB-KEBDBYFISA-N 379.268 5.008 50 40 GKGB O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1cccc(Cl)c1 59515748 RYVRYASWHYDEFV-UHFFFAOYSA-N 377.916 5.055 50 40 GKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc21 208448927 YCDWAYPCNWFRNY-WQRHYEAKSA-N 393.328 6.145 50 40 GKGB Cc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 408756970 YQXWWDDPZZFUEV-WGOQTCKBSA-N 394.559 5.379 50 40 GKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C(C)C 408844758 IMJNNSDMKNGGRE-VCHYOVAHSA-N 396.918 6.025 50 40 GKGB Cc1cccc(C)c1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 2203447 JCVXSGLXRLDSCE-ATVHPVEESA-N 399.475 5.510 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 3668058 UVJKWEIWAHQGHC-HYARGMPZSA-N 383.495 5.565 50 40 GKGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1C[C@@H]1c1ccccc1 5556860 VDWHDQUEGVUSLU-FVUCYARPSA-N 398.384 5.219 50 40 GKGB Cc1ccc(Sc2ccc(/C=C(\C#N)c3nc4ccccc4s3)s2)cc1 11690110 YGCBGVKJGCEAII-NTCAYCPXSA-N 390.558 6.882 50 40 GKGB CCCCCCCCCCCCCCCC#CC(C)(C)OOC(C)(C)CC 97949653 HEWBEMTWRFHFSL-UHFFFAOYSA-N 380.657 8.387 50 40 GKGB COc1ccc(NC(=O)/C(C#N)=C\c2c3ccccc3c(C)c3ccccc23)cc1 408998911 SOJIMMVUDHKJKP-SDXDJHTJSA-N 392.458 5.856 50 40 GKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1 409350065 SKKSHNAKGDHXAM-KQWNVCNZSA-N 395.889 7.136 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1 408741993 MIFDECJQXGHUSO-HKWRFOASSA-N 385.467 5.039 50 40 GKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 408862276 XWDUOTUHTFMGSE-LGVXEURYSA-N 388.964 5.681 50 40 GKGB CCN(CC)c1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 5568286 IZPRLPCJIRGNJD-XIEYBQDHSA-N 387.483 5.089 50 40 GKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1O 6441165 CBBZVLMJHFETEH-DHDCSXOGSA-N 380.241 5.381 50 40 GKGB Cc1ccc(Cn2c(C)c(/C=N/NC(=O)c3ccccc3C)c3ccccc32)cc1 9202580 NKFNPLFPXLOUFS-JVWAILMASA-N 395.506 5.379 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc2ccccc12 16157931 GXGGFVBNKJTBJF-VBKFSLOCSA-N 390.269 7.471 50 40 GKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 59116810 CNZDEZAXMWPCRU-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB CC(C)(C)C(=O)C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)C(F)(F)F 103765008 GWXQQOHTNQIUCR-UQQQWYQISA-N 390.405 5.007 50 40 GKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570426 UXERRPKARUGWGS-AISSWFOISA-N 399.853 5.605 50 40 GKGB CCOc1ccc(NC(=O)N/N=C\c2ccc(O[C@@H](C)CC)c(Cl)c2)cc1 409019294 YPPPKQBGDBGUBK-CRRPLPBISA-N 389.883 5.072 50 40 GKGB Cc1ccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)cc1 409187992 WFAMMLACYXEELU-MTJSOVHGSA-N 385.876 5.548 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1F 2064329 QDRKIGLAYHWGEU-GXDHUFHOSA-N 380.404 5.142 50 40 GKGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)Nc1ccccc1S2 4868979 MJBDMZWRHVAXCH-VULFUBBASA-N 398.491 5.530 50 40 GKGB O=C(N/N=C\c1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12 33360342 FKDVBRSUKGIESW-MYYYXRDXSA-N 385.854 5.319 50 40 GKGB O=C(CCSc1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 59473066 TXVNUKKWWPIHQX-KOEQRZSOSA-N 384.504 5.626 50 40 GKGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1cc2ccccc2cc1O 71328729 VMFXWYVNDOZMPF-CFRMEGHHSA-N 390.826 5.223 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3ccc(-c4cccc(C(=O)O)c4)o3)[nH]c2cc1C 107641536 ZNLSUTUTSUCRQP-GZTJUZNOSA-N 383.407 5.202 50 40 GKGB Cc1cc2c(cc1/C=C(/C#N)c1ccc(F)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223597161 UCTMGORBRDCHSU-UMUMUWHJSA-N 376.519 6.699 50 40 GKGB COc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCc1ccccc1 408549881 ATHIPNQEIQPCDA-MYYYXRDXSA-N 391.470 6.492 50 40 GKGB CCOc1cc(Cl)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC 408568381 JGFLJMVNKJKDTR-QPEQYQDCSA-N 385.826 5.217 50 40 GKGB N#C/C(=C\c1cccc(OCc2cccc(F)c2)c1)c1ccc(Cl)cc1Cl 408581785 ZIMSJJSYGVSMTF-RQZCQDPDSA-N 398.264 6.776 50 40 GKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)o1 408722303 GTICKQCUIMVLFV-ZVHZXABRSA-N 399.406 5.080 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1 408790113 NUUILOJFBZIBJW-XSFVSMFZSA-N 386.426 5.259 50 40 GKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(F)cc2)cc1 408814052 PRXSHDSGRIPSOG-PKAZHMFMSA-N 397.453 5.356 50 40 GKGB Cc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1 408849120 VISVPXYGSNDTRO-VULFUBBASA-N 390.458 5.094 50 40 GKGB CC(=O)Oc1ccc([N+](=O)[O-])cc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 4578485 SQKWTIVTJXORGZ-UHFFFAOYSA-N 398.459 5.120 50 40 GKGB Cc1ccc(-c2cc(C(=O)NN=C3CCC(C)CC3)c3ccccc3n2)cc1C 6215849 JMBXTJPYUUEIHR-UHFFFAOYSA-N 385.511 5.815 50 40 GKGB CC1(C)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@]1(C)[C@H]2Br 6763678 PLHCLBIFHOAOBA-UHOFOFEASA-N 391.136 5.522 50 40 GKGB O=C(c1ccccc1)[C@@H](Cl)[C@@H](c1ccccc1)[C@@]1(Cl)CCCCC1=O 13512315 VXYDXULHYXNWKC-SVFBPWRDSA-N 375.295 5.381 50 40 GKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2)c1 33658295 PVWPTKUNQRHBGC-STZFKDTASA-N 379.463 5.823 50 40 GKGB O=P(Nc1ccc(Cl)c(Cl)c1)(N1CCCCC1)N1CCCCC1 104162646 LSRFPKSPGHSZBN-UHFFFAOYSA-N 376.268 5.485 50 40 GKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc3ccccc3c1)[C@H](C)CC(C)(C)N2C 208216514 GHTOTSGHAPZYFM-AXNZHVIBSA-N 399.538 5.634 50 40 GKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 408790912 ZIEVBRBCWJMKSA-RIYZIHGNSA-N 375.255 5.246 50 40 GKGB O=C(O)CC[C@H](SS[C@@H](CCC(=O)O)c1ccccc1)c1ccccc1 1569985914 JIAUMCISRSSKSK-ROUUACIJSA-N 390.526 5.580 50 40 GKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2[C@@H]1C1CCCCC1 646925 ZJETZTPPSSUMNS-OAQYLSRUSA-N 396.494 5.494 50 40 GKGB CSc1cccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)c1 2577629 QHQFPBUUDJGNTA-UHFFFAOYSA-N 383.478 5.119 50 40 GKGB Cc1ccsc1/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4175175 WUSNSFMSWWFNGD-KPKJPENVSA-N 377.321 6.551 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c2C)cc1 408753857 OGXIFDALNBUOTB-STZFKDTASA-N 399.494 5.211 50 40 GKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1 408796590 ANPTWPWSZIZVFY-LELVYMQHSA-N 392.474 5.007 50 40 GKGB CCNC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408811183 MGAAGUDHEZQULM-QGOAFFKASA-N 390.870 5.115 50 40 GKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1 408862280 XWDUOTUHTFMGSE-PFRBSUFTSA-N 388.964 5.681 50 40 GKGB COc1cc(OC)c(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br 409364095 VESGCHXKWYZYIY-QPEQYQDCSA-N 378.653 5.184 50 40 GKGB Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c3ccccc32)cc1 409370914 VJSAXWRGHKLUOX-FYJGNVAPSA-N 394.478 5.059 50 40 GKGB C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)c1ccc(C(C)(C)C)cc1 4691201 FTYXUFQXZZCXDQ-YZSQISJMSA-N 393.531 5.242 50 40 GKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl 5756664 QXANOQAEEIFUTB-UXBLZVDNSA-N 386.065 5.846 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3Cl)n2)cc1 6356356 ANVDTJSQJOJXIY-YBEGLDIGSA-N 385.319 6.743 50 40 GKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC 7157027 ZRCSXWHWHMSCML-GZTJUZNOSA-N 398.890 5.382 50 40 GKGB Cc1ccccc1NC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 8571397 NMMFHIYFHCJVCV-MTJSOVHGSA-N 385.876 5.548 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4c(C)cccc4C)c3C)[nH]c2c1 33634275 KOGYEILUYMFLEM-BKUYFWCQSA-N 380.495 5.960 50 40 GKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(C(C)C)cc1 59517094 LCXCGYIQAIBUGU-ZVHZXABRSA-N 399.922 5.031 50 40 GKGB N#C/C(=C/Nc1cccc(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 100839788 BMUBYCRIZDAJSV-RAXLEYEMSA-N 382.832 5.348 50 40 GKGB CC(C)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1 100839870 HMFBSJQPUWBFMI-VBKFSLOCSA-N 379.916 6.563 50 40 GKGB Clc1ccc(N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 104111345 YQVMJKNAQRGNMA-UHFFFAOYSA-N 388.858 5.661 50 40 GKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2C)cc1 408786304 OXYUICARKKTPOZ-NDENLUEZSA-N 380.413 6.486 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OC)c1 408789614 QGRKDWGTLLDVIM-GZTJUZNOSA-N 397.906 5.049 50 40 GKGB Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(N)=O 408869869 SDZKPKNIGFYNLB-XSFVSMFZSA-N 392.458 5.273 50 40 GKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)c1 408893206 GAWRLWYJEYDWPT-HZHRSRAPSA-N 396.490 5.737 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c(C)c1 409065002 RNNKCKIXOLYFTK-HYARGMPZSA-N 383.495 5.565 50 40 GKGB C/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 4807735 QDJBSHPACAFQLD-XIIPJFCMSA-N 388.898 5.186 50 40 GKGB CCCCOc1cc(N(CC)CC)ccc1/C=C(\C#N)c1nc2ccccc2[nH]1 32099444 PVVUTKIJROXBQZ-XDJHFCHBSA-N 388.515 5.652 50 40 GKGB COc1cc(C(=O)Cl)cc(Br)c1OCc1ccccc1Cl 226361289 VCYBCGNNUSZBII-UHFFFAOYSA-N 390.060 5.069 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408865797 FTJNGPWIDXEBQQ-DNBCXDNYSA-N 396.918 5.195 50 40 GKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1O 408986684 CXMOCEYQBJWVPW-YVLHZVERSA-N 396.874 5.027 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cc(OC)c1OC 13002094 JFEIVIPPEPXLLG-WUXMJOGZSA-N 386.860 5.040 50 40 GKGB CC(C)(C)OC(=O)N/N=C\c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 33352479 PFLIBMCNPSVODD-IWIPYMOSSA-N 396.487 5.062 50 40 GKGB N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1cccc(Cl)c1 36635914 GCFWKOUFUHXRDO-GZTJUZNOSA-N 399.837 5.694 50 40 GKGB Cl[C@H]1[C@H](Cl)[C@]2(Cl)C=C(c3ccccc3)[C@@]1(Cl)C2(Cl)Cl 104120713 WLVUCXXIQDWEAN-YFKTTZPYSA-N 376.925 5.441 50 40 GKGB Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1 408548610 JRXHPFJRASIFGY-ITYLOYPMSA-N 398.509 7.215 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc12 408803315 NOGZHPCRFBXHRZ-AFHBDZBGSA-N 390.527 5.621 50 40 GKGB CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408818456 VMOLDKOLYRDVQI-RIYZIHGNSA-N 375.255 5.326 50 40 GKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408872921 LINKMBCXPLLEBA-YSXYSLGWSA-N 396.918 5.195 50 40 GKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 408947936 DTAOWOKVUZGHOF-KQWNVCNZSA-N 391.474 5.101 50 40 GKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCC 409063801 DTGWQLCRZUOMMH-SFQUDFHCSA-N 396.874 5.021 50 40 GKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc(F)c1 409392428 MNFSBFKFDXBZDL-OYKKKHCWSA-N 379.434 6.622 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)o1 1003409 NHLLCEXMYDWSQQ-AFUMVMLFSA-N 383.451 5.184 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(C)cc1C 4155330 PXPLMQGKSVAOGI-HZHRSRAPSA-N 393.314 5.310 50 40 GKGB CC(C)CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 5214610 TZACPFQIAJULQX-UKTHLTGXSA-N 378.255 5.750 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1 5747899 AZUNWWHNQXVCAM-SDNWHVSQSA-N 397.261 6.108 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 5792378 SOGKBQNCZQENKZ-QGOAFFKASA-N 388.854 5.986 50 40 GKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)OCO4)n2)cc1 6355333 DVKXJACNGFVZAX-SXGWCWSVSA-N 376.437 5.002 50 40 GKGB CC(C)c1ccc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1 20238201 RULVVMOWIPTSAC-FQEVSTJZSA-N 395.572 5.158 50 40 GKGB Cc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 67190143 RCDSZXUSNLIUHG-MHWRWJLKSA-N 379.872 5.318 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc21 208205208 YLGCZMHRGJRDCH-GNYKCMPYSA-N 385.511 5.326 50 40 GKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)NC3CCCCC3)cc2[C@H](C)CC1(C)C 208330650 PQCAGLMZLFMZAP-RXWSAZGZSA-N 393.575 5.463 50 40 GKGB N#C/C(=C/c1ccc(I)cc1)c1ccc2ccccc2c1 408548258 FGNYVTPNJGILJQ-WQRHYEAKSA-N 381.216 5.509 50 40 GKGB N#C/C(=C/c1ccccc1F)c1nc(-c2cccc(Br)c2)cs1 4174963 SUINJXHSDKEGJW-ZSOIEALJSA-N 385.261 5.776 50 40 GKGB COc1cc(/N=N\c2ccc(C(=O)O)cc2)ccc1N(CCCl)CCCl 104184672 SANISQYYUHDHMW-DQRAZIAOSA-N 396.274 5.093 50 40 GKGB CCCCCCCCCCCCCCCCCCNC(=O)OCCCl 104341822 HEIGANHQKNOLTA-UHFFFAOYSA-N 376.025 7.213 50 40 GKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2)cc1 207156261 RNUOUMFQQFNPRK-VMTJQQBPSA-N 396.490 5.358 50 40 GKGB CCN1c2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2[C@H](C)CC1(C)C 208304844 AOLPLYOJPNFDSB-LZCVXGSNSA-N 383.923 5.216 50 40 GKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408947904 BPBKDAZDDZRMFG-MSIWHDFOSA-N 396.918 5.195 50 40 GKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NC1CCCCC1 5749509 MFAJKNLYEAYCQJ-JLHYYAGUSA-N 389.282 5.609 50 40 GKGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cccc2ccccc12 6942741 MUMAUJXTOLSDGK-UHFFFAOYSA-N 380.662 5.949 50 40 GKGB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)c1nc2ccccc2[nH]1 7000920 YNFTUNARGZCBRM-GZTJUZNOSA-N 387.874 5.142 50 40 GKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 40865610 KRHANKHKLHPKNV-DTQAZKPQSA-N 399.288 5.174 50 40 GKGB Cc1ccc(COc2ccccc2/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 103592348 LNNUDYCPDFMFSO-XNTDXEJSSA-N 389.407 5.101 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc([N+](=O)[O-])c1 107954676 FPIKJHOMAWFKAO-LCYFTJDESA-N 395.758 5.481 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1 408583036 RFIQXTBJYRATOC-DEDYPNTBSA-N 385.419 5.037 50 40 GKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 408773008 OMYDCUHPPWFXQW-GHXNOFRVSA-N 395.673 5.591 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)c1C 408885421 ZPJKQINFQXXOPG-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB N#C/C(=C\c1ccccc1Sc1ccccc1)C(=O)NCCCc1ccccc1 409241416 XLECZRWLGJOIBQ-RELWKKBWSA-N 398.531 5.494 50 40 GKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc2c(c1)OCO2 409361512 HLHQNIFQHCREJC-QPEQYQDCSA-N 394.770 5.301 50 40 GKGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(Nc4ccccc4)ccc32)cc1 4620594 QUGICIKBDXUYBY-DEOSSOPVSA-N 381.479 5.772 50 40 GKGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc(Cl)c1Cl 38704610 YFMYDYJPYNVPTR-QBFSEMIESA-N 390.270 5.122 50 40 GKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1Cl 59417832 XNPJBWQSKXSLRJ-ZMOGYAJESA-N 399.277 5.336 50 40 GKGB O=C(c1ccc(Br)c(C(F)(F)F)c1)[C@@H](Cl)c1ccccc1 124498308 SPEGUMJIVIRGQB-ZDUSSCGKSA-N 377.587 5.631 50 40 GKGB CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1 408746812 VYNKLUYNCYHUIX-ATVHPVEESA-N 390.826 5.348 50 40 GKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1ccccc1 409021612 PXEHAUOVAKDLJL-OWBHPGMISA-N 396.924 6.098 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(C#N)cc1 409370901 DEKFVNRDEIRFAE-DHDCSXOGSA-N 375.771 5.444 50 40 GKGB CCOc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OC(C)C 17307217 QVKSCSVBUFQDHZ-MHWRWJLKSA-N 396.537 6.122 50 40 GKGB Cc1cc(SSc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 32291152 DUSMWSPFKFLNBD-UHFFFAOYSA-N 390.614 7.109 50 40 GKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)c1 408879200 CBZYVQLNSYPVKV-LFVJCYFKSA-N 380.491 5.748 50 40 GKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 409066856 MQAHRDIQVVDYDW-HZHRSRAPSA-N 399.465 6.206 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409241805 YSMVUHOIKAGARQ-VBKFSLOCSA-N 395.384 5.350 50 40 GKGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 409365152 YYUNJQUQJMDAHO-FSJBWODESA-N 387.266 5.255 50 40 GKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(Br)c1 1896263 ZLBCNGCFTLOFIT-RVDMUPIBSA-N 396.313 5.858 50 40 GKGB C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(C(C)C)cc1 5294860 RNIHLGOKHIZDFD-JJBJMVQMSA-N 396.534 5.656 50 40 GKGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c(OC(C)C)c1 5385801 CHSZSBKIAWWNAY-CPNJWEJPSA-N 388.515 5.569 50 40 GKGB Cc1sc2nc(SC[C@@H](Cl)CSc3ccccc3)[nH]c(=O)c2c1C 16779233 IJACVLITPOMRJH-LBPRGKRZSA-N 396.990 5.093 50 40 GKGB ClCCn1c(/C=C\c2nc3ccccc3n2CCCl)nc2ccccc21 104118129 SZMCFBSYHULBIM-KTKRTIGZSA-N 385.298 5.034 50 40 GKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3cccc(Cl)c3)cc21 208245834 JMFXKHBKJMVAOW-RHUPODBASA-N 385.338 6.780 50 40 GKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl 408567032 CIQKXWVPQSYDLI-ZROIWOOFSA-N 376.822 5.519 50 40 GKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 408582307 MUYNEJCTORYSOR-FYJGNVAPSA-N 389.882 6.300 50 40 GKGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccccc1 408691645 JWADPQPAQPQGFX-BKUYFWCQSA-N 395.462 5.231 50 40 GKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2C)cc1 408765932 RVAYKCKWFOVNKT-BKUYFWCQSA-N 394.440 6.740 50 40 GKGB O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(F)cc1 408825554 DTAQLBFWZIRUTO-JVWAILMASA-N 398.437 5.322 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c3ccccc3c(C)c3ccccc23)c(C)c1 409002590 VINVAFYGIDHGEE-HKWRFOASSA-N 390.486 6.464 50 40 GKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C)cc4)cc3)[nH]c2c1 409391289 IXUBBBHPPNLWLX-MOSHPQCFSA-N 395.462 5.523 50 40 GKGB Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1 2274259 MQNJJTPVJTZQFZ-XSFVSMFZSA-N 375.903 5.878 50 40 GKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2801227 UGLGHIFGXUTUNM-UKTHLTGXSA-N 394.780 5.303 50 40 GKGB Cc1cc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)c2ccccc2n1 4877832 HKKJJWGUPAREKU-YUMHPJSZSA-N 389.458 5.614 50 40 GKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)c1 408743843 HPLAZBJCZBAKTI-HMAPJEAMSA-N 383.495 5.565 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)cc1 408866646 HLQZBTXMKLRUNH-RCCKNPSSSA-N 386.882 5.785 50 40 GKGB C=CCSC1=C(C#N)[C@H](c2ccc(OCCCC)cc2)C(C(C)=O)=C(C)N1 2271552 LTJICSKKCCBGLN-NRFANRHFSA-N 382.529 5.070 50 40 GKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1 13475722 ZNKUNGLKKQTSRH-RAXLEYEMSA-N 383.234 5.799 50 40 GKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)[nH]c2c1 34746815 ZUSOLVMKUDKCAB-ZHZULCJRSA-N 395.510 5.409 50 40 GKGB Cc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 98008924 LKNGMBRMZAFHHB-UHFFFAOYSA-N 381.459 6.113 50 40 GKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 408798739 WTRFGWPDQLRDJO-VGOFMYFVSA-N 375.255 5.165 50 40 GKGB Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1 2779824 HHFVXEJWRYEFTI-JVWAILMASA-N 395.506 5.379 50 40 GKGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccccc1Sc1ccccc1 3090586 MCESITRQXDPAEF-OEAKJJBVSA-N 396.899 5.020 50 40 GKGB CN(C)/C=C(\C#N)C(=O)c1ccccc1Oc1ccc(Cl)c(C(F)(F)F)c1 4105357 UMULVZSJVJYMFI-VAWYXSNFSA-N 394.780 5.303 50 40 GKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(F)(F)F)c3)n2)c(C)c1 4817131 AGTSDYKFPCFPBN-RVDMUPIBSA-N 399.441 6.422 50 40 GKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(Cl)cc1 5859672 PBMZMBNNHXSSBI-HYARGMPZSA-N 379.287 5.001 50 40 GKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2s1 16545352 QRFUHEQJGBZBAN-FMIVXFBMSA-N 397.286 6.927 50 40 GKGB CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCCl)cc1)c1ccccc1 22054511 QDLAEGCSWYNGSD-VHXPQNKSSA-N 378.899 6.379 50 40 GKGB in-vitro CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1O[C@@H](C)CC 408541958 GENPHQXJIQCKEN-DAQNXSASSA-N 389.499 5.820 50 40 GKGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 1453861 QNULPGPRFNFQNG-GXDHUFHOSA-N 375.255 5.326 50 40 GKGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 6948889 OHVSWEOXYLEULU-RIYZIHGNSA-N 375.255 5.246 50 40 GKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccs1 24657161 WWAZIXJDNSNJAT-LFIBNONCSA-N 387.464 5.276 50 40 GKGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2cnco2)cc1 47410102 HOVFHUGBRWRGPS-UHFFFAOYSA-N 382.634 5.059 50 40 GKGB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(/C#N)c2ccccn2)cc1 49573535 BMPIQIGCLQAWIK-RGEXLXHISA-N 380.426 5.446 50 40 GKGB CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1Cl 58822897 BITZXDCOUWCHSN-OQLLNIDSSA-N 376.239 5.042 50 40 GKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(Cl)c3)n2)c1 100839993 CKKZLVVMVAIQRN-RVDMUPIBSA-N 381.888 5.757 50 40 GKGB CCCCCCCc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1 100916124 NTTVBOWTBMZTPK-XMMPIXPASA-N 396.534 6.291 50 40 GKGB COc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCc1ccccc1 408541977 IMQIKNSQEYTHBN-BKUYFWCQSA-N 385.419 5.037 50 40 GKGB N#C/C(=C/c1ccccc1I)c1ccc(C(F)(F)F)cc1 408550308 FUVDGENJMXXKET-LCYFTJDESA-N 399.153 5.374 50 40 GKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408811560 RGGGJOCBHLYPQO-NTEUORMPSA-N 375.255 5.326 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 409240712 HOVHGISAYUFWSC-VMTJQQBPSA-N 396.490 5.358 50 40 GKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Cl)cc1 409353428 KRFWWWYLPVTZOQ-LCYFTJDESA-N 385.206 6.226 50 40 GKGB O=C(CCCCCBr)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361153 RUDPEXZPVDCEAA-UHFFFAOYSA-N 391.149 5.862 50 40 GKGB CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 4817126 SASNHJVLNOZHNM-NTCAYCPXSA-N 381.888 5.839 50 40 GKGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C1 13512312 CWMOTEGAXGHXPY-MOXGXCLJSA-N 390.918 5.206 50 40 GKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 209405507 YNPCJRAODRIIQQ-RGVLZGJSSA-N 394.301 6.945 50 40 GKGB N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc2ccccc2c1 408552829 VWLKLAYJPOHJKV-OYKKKHCWSA-N 379.434 6.622 50 40 GKGB Cc1ccc(/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 408581113 USVPDCDRBHVSFA-XQNSMLJCSA-N 393.461 6.931 50 40 GKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1nnc2n1CCCCC2 6615999 YNGPHKRFQZROOT-HKWRFOASSA-N 393.494 5.072 50 40 GKGB Cc1cc2nc(/C(C#N)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[nH]c2cc1C 33664489 VDXMLIHTPJGMIQ-LFIBNONCSA-N 384.395 5.412 50 40 GKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)c1 208190583 XIYTXPFBGYHYSI-HRVJUDJTSA-N 387.527 5.571 50 40 GKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 408581227 HRAUWBNPJASWJS-DEDYPNTBSA-N 386.407 5.247 50 40 GKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c1C 408804739 HBBNYYRKUZWMPY-UDIPQKBFSA-N 397.522 5.495 50 40 GKGB C=CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21 408986124 ZQXBSHOSBZIUQT-VBKFSLOCSA-N 375.859 5.335 50 40 GKGB COc1ccc(Cl)c2ccc(/C=C(\C#N)c3nc4ccccc4s3)nc12 9184440 KWTSDCACCHGYKC-ZRDIBKRKSA-N 377.856 5.571 50 40 GKGB C=CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 95117472 YKAOJULLZAVXLQ-SFQUDFHCSA-N 378.884 6.092 50 40 GKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408745467 MNPZINHPSFDVDV-JXAWBTAJSA-N 382.850 6.192 50 40 GKGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1Cl 409053096 XFQNMBFRHGWMES-ZVBGSRNCSA-N 385.678 5.118 50 40 GKGB N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 4063665 FLCRCBGUTKXPGT-SDNWHVSQSA-N 382.286 5.549 50 40 GKGB O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(F)cc1 8812452 DVAOFTJEBOYHDB-JVWAILMASA-N 398.437 5.322 50 40 GKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(c1ccccc1)c1ccccc1 59459599 UPFJCCQMMPTNOS-ZVHZXABRSA-N 383.278 5.276 50 40 GKGB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1 100148753 MISXDHCEEMZQMH-YVLHZVERSA-N 396.903 5.249 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)cc1 408540572 ABRKJXIHHARLTA-STZFKDTASA-N 386.451 5.255 50 40 GKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NC1CCCCC1 1082158 DGUKSTQEVPJGTA-HMMYKYKNSA-N 383.495 5.045 50 40 GKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCO4)n2)cc1 2312992 QHIZTQZAHBUIEK-LFIBNONCSA-N 375.453 5.078 50 40 GKGB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)[C@@H](C)Cl 4575756 COYQGLDSERQIPS-MRVPVSSYSA-N 385.963 5.424 50 40 GKGB COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 17026022 LIYXMDAWLHIHGF-SFQUDFHCSA-N 389.480 5.190 50 40 GKGB CCCC[C@H](Br)C(=O)Nc1nc2ccc([C@H](C)CC)cc2s1 20133016 CHAOGVPASDXEDS-YPMHNXCESA-N 383.355 5.702 50 40 GKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)cc1C 408865265 CMCMRWVBGMSYRN-PXLXIMEGSA-N 384.454 5.579 50 40 GKGB C=CCOc1c(CC=C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC 409070889 PGIBEEKSWGXWEK-XMHGGMMESA-N 385.467 5.319 50 40 GKGB Cc1ccc(COc2ccccc2/C=C(/C#N)c2ccc3ccccc3c2)cc1 6300161 DANTYMNAXBPYRB-ONUIUJJFSA-N 375.471 6.791 50 40 GKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1 12363784 MQNJJTPVJTZQFZ-ZHZULCJRSA-N 375.903 5.878 50 40 GKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1C 33670292 HKHNUPFQOXDVNO-JAIQZWGSSA-N 390.870 5.818 50 40 GKGB COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccccc3)c2c1 59513112 VNZOLIQBPPGQLQ-NBVRZTHBSA-N 393.446 5.389 50 40 GKGB CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)CCl 72400430 QVDKLQCGMGDAPK-HXUWFJFHSA-N 377.009 6.391 50 40 GKGB in-vitro Cc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)cc1 257354821 ZZYZSNODVVFFFR-FRYIKTPZSA-N 388.374 5.124 50 40 GKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)cc1 408549405 SGXQJFWIFDVELV-UQQQWYQISA-N 392.502 6.710 50 40 GKGB O=C(CSCc1cccc(Cl)c1)NN=C1CCCCCCCCCCC1 408778810 LNOKATLWKMHBFM-UHFFFAOYSA-N 395.012 6.350 50 40 GKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 408807318 HBQCSTAWYTXKDR-NTEUORMPSA-N 375.255 5.328 50 40 GKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Cl)c1 408983089 KHCDHTMIHYXEFD-WZUFQYTHSA-N 381.646 5.207 50 40 GKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c1 409007732 QOOLFRSQVICLKG-OEAKJJBVSA-N 397.522 5.874 50 40 GKGB