smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1ccc(SSc2ccc(C(C)(C)C)cc2)cc1 1606192 JHJKMOPTKMUFOG-UHFFFAOYSA-N 330.562 7.081 50 40 EKGB CCCCCCCCCCCCCCCCCC(=O)OCCCl 100077560 QLBIYHGOHHPBCC-UHFFFAOYSA-N 346.983 7.030 50 40 EKGB CCCCC[C@@H](/C=C/C=C/C/C=C\C/C=C/CCCC(=O)O)OO 299888241 BFWYTORDSFIVKP-OEGFTWOSSA-N 336.472 5.685 50 40 EKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\C#N)c2ccccc2)o1 408960226 JWKYQXIBKMWZDX-SFQUDFHCSA-N 329.355 5.017 50 40 EKGB CC(C)c1ccc([C@@H]2C3=C(CCCCC3)C(C#N)=C(N)[C@H]2C#N)cc1 16575854 GKABHDYYLWCAIB-LEWJYISDSA-N 331.463 5.044 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1 34793164 ARLGETJQXRMSPY-PTNGSMBKSA-N 334.306 5.058 50 40 EKGB CCc1cc2c(c3ccc(C(=O)CBr)cc13)CCC[C@@H]2C 1661368 TVNVGILMXJIXKP-LBPRGKRZSA-N 345.280 5.420 50 40 EKGB O=C(CCCC[C@@H]1CCSS1)N1CCC(c2ccccc2)CC1 43753253 KGVTXTMRXRRETG-GOSISDBHSA-N 349.565 5.107 50 40 EKGB biogenic Clc1cc2c(cc1Cl)[C@H]1c3ccccc3[C@@H]2[C@H](Cl)[C@@H]1Cl 104254844 KYLQWFSTZRRSAO-GEEKYZPCSA-N 344.068 5.799 50 40 EKGB CCOc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1 108894340 BBHPLONNAFRMNS-RVDMUPIBSA-N 338.457 5.352 50 40 EKGB Cc1cccc(-n2cccc2/C=C(/C#N)c2ccc3ccccc3c2)c1 408550754 JPKMLDMBBRUGFT-JWGURIENSA-N 334.422 6.003 50 40 EKGB N#CCn1cc(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc21 33729372 DWAJEDLTGZZNRI-ZHZULCJRSA-N 333.394 5.382 50 40 EKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 408579635 IWZJHYOOOYAAKB-RIYZIHGNSA-N 348.229 5.465 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1 33287958 OXJUNMCQCLHMFL-KAMYIIQDSA-N 340.209 6.318 50 40 EKGB O=C1CCCCCCCCCC[C@@H]1CCCCCBr 5566836 YQMZWDQGZBYMIH-MRXNPFEDSA-N 331.338 6.042 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C)n2)cc1C 4174853 MDJFCBWLAICPKF-ODLFYWEKSA-N 330.456 5.800 50 40 EKGB C=CCOc1cccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1 408585182 CHJSTJHLQTWYAU-DHDCSXOGSA-N 330.214 5.622 50 40 EKGB CC(C)[Si](OCc1ccc(C(=O)O)c(F)c1)(C(C)C)C(C)C 219799252 FXLRNPHDPZZTDH-UHFFFAOYSA-N 326.484 5.216 50 40 EKGB CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408581540 XSDIHFMKGNQUQL-MDWZMJQESA-N 348.229 5.465 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 4010161 VLDKKDYBYQWSRZ-NTEUORMPSA-N 340.810 5.667 50 40 EKGB CCCCCCCCCCCC(=O)N/N=C(\CC)c1ccccc1O 8398672 MEPBURDDBWEGJL-ZBJSNUHESA-N 346.515 5.543 50 40 EKGB CCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1 12374261 TVUMSEIVLLXYLE-SAPNQHFASA-N 348.471 5.929 50 40 EKGB CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 4175054 ZSSGWWIVIMUXRV-PDGQHHTCSA-N 346.455 5.445 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2s1 4812397 IFCQMNGPKZGTBF-SDNWHVSQSA-N 346.386 5.760 50 40 EKGB CCC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Cl)c(Cl)c1 16952086 JAKLJHAKIBFWNU-VGZQXCAVSA-N 347.245 5.203 50 40 EKGB CCP(=Nc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 95748016 KTBKARSBDOXIJO-UHFFFAOYSA-N 339.806 5.844 50 40 EKGB CCCCCCCCCCCCCC[N+](C)(C)CCOCCCl 100925692 WGLVKZGEDABZIY-UHFFFAOYSA-N 349.023 6.019 50 40 EKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)c3ccc(F)cc3)cc21 208455834 MVQJPXADIQWROL-ODLFYWEKSA-N 346.449 5.830 50 40 EKGB CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1 4063705 SRHZXAPBZZALBM-QGOAFFKASA-N 345.471 5.910 50 40 EKGB CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2ccccc2)cs1 4063730 YOZYHAPPAUXXBD-GHRIWEEISA-N 345.471 5.910 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1ccccn1 558944 BXBMPKSIZYCCCB-LDADJPATSA-N 333.822 5.207 50 40 EKGB CC(C)CCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1 4932850 AMAUBJKUNWMTHC-GHRIWEEISA-N 348.471 5.785 50 40 EKGB Cc1cc(C(=O)Cl)cc(C)c1OC(=O)c1ccc(C(C)C)cc1 218716056 FVHNNGUDRDABFM-UHFFFAOYSA-N 330.811 5.025 50 40 EKGB CSSC(SSC)C(SSC)SSC 1706262 MKVQMIFGUTUXIB-UHFFFAOYSA-N 342.714 5.683 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 33303709 MSKAEMIYLOHICM-QINSGFPZSA-N 348.789 5.146 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C)n2)c(C)c1 6814063 SUUFOTCJMKCJTI-WOJGMQOQSA-N 330.456 5.800 50 40 EKGB CC(C)(C)[Si](C)(C)O[C@@H]1CCOc2ccc(Br)cc21 261508945 YMWUULTZIYURCW-CQSZACIVSA-N 343.337 5.295 50 40 EKGB CC[C@@H](C)n1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc21 408541730 HKFYOYCYQIWCLH-PWDRBQJJSA-N 344.414 5.375 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1C1CCCCC1 408740572 LOQXHQFZYBIYMZ-UYRXBGFRSA-N 338.882 6.328 50 40 EKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1cccc(C#N)c1 33739326 RXTBENRTRYEFOD-DEDYPNTBSA-N 338.410 5.563 50 40 EKGB BrCc1ccc(Oc2ccc(Br)cc2)cc1 95215894 ZPSMIZFXQPWXAW-UHFFFAOYSA-N 342.030 5.136 50 40 EKGB N#CC(C#N)=C/C=C(\Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 133832 IKJVCXFGRCEALT-ZDLGFXPLSA-N 340.213 5.420 50 40 EKGB Cc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccccc1 4996468 RVVKQIHDNBXFSX-LFIBNONCSA-N 336.847 5.836 50 40 EKGB N#C/C(=C/c1ccc(Br)cc1)c1nc2ccccc2s1 13601368 WQXNWWWYOQXUPP-XFXZXTDPSA-N 341.233 5.123 50 40 EKGB N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cccs2)cs1 4853316 RPEJNGKIGSMPDZ-WQLSENKSSA-N 328.849 5.589 50 40 EKGB C[C@@H](/C=N/NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 5275151 LKRIYEOQOMPBCL-DQAKUKQTSA-N 342.851 5.074 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1Cl 5753903 OMQRDZVEOHPXCS-LICLKQGHSA-N 338.838 5.318 50 40 EKGB CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(C)cc2)cs1 25608021 PHHXBTZBZXQRJY-PDGQHHTCSA-N 346.455 5.581 50 40 EKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1cccc(Cl)c1 59302309 STULPMFRJNJPGP-QINSGFPZSA-N 339.225 5.848 50 40 EKGB N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 4712061 JTNHMECDRVXSHB-PTNGSMBKSA-N 349.777 5.103 50 40 EKGB Cc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)C[C@@H]2C 104186457 RUGCBCBHQGLVKZ-IBGZPJMESA-N 331.419 5.281 50 40 EKGB COc1ccc(/C=C(/C#N)c2cccc3ccccc23)c2ccccc12 409333079 IHXXGYFXOMOPKG-CYVLTUHYSA-N 335.406 6.066 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2cccc(Cl)c2)c(OCC)c1 408599317 SNYDARSZLWZAJY-YBEGLDIGSA-N 327.811 5.202 50 40 EKGB CC/C(=N\NC(=O)CCC1CCCCC1)C12CC3CC(CC(C3)C1)C2 5727584 XPMWQLMWKGQJRP-BSYVCWPDSA-N 344.543 5.446 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)n1-c1ccccc1 408549126 PLFNENJAHDZXDF-LFVJCYFKSA-N 348.449 6.312 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Cl)cc1 101438 BWQUFHDHPRKWAE-PTNGSMBKSA-N 340.209 6.318 50 40 EKGB CC(C)(C)[Si](C)(C)OCCCCCCCCCBr 195978593 ZJJACWRNPJLOEF-UHFFFAOYSA-N 337.418 6.134 50 40 EKGB in-vitro Cc1cc(Br)cc(C)c1C(=O)[C@@H](Cl)c1ccccc1 575362442 LZYQFRBFFZBIHY-HNNXBMFYSA-N 337.644 5.229 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(C#N)cc3)n2)cc1 97994583 FJCNBVDXEQZMLH-ZDLGFXPLSA-N 327.412 5.054 50 40 EKGB C[C@H](Br)C(=O)c1ccc2cc(Cl)c3ccccc3c2c1 1682018 ODZMPXHPIHJILM-JTQLQIEISA-N 347.639 5.613 50 40 EKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1 5383601 OEKPQOOUXHOIQT-UHFFFAOYSA-N 341.282 5.316 50 40 EKGB CCO[C@H](CCl)Oc1c(C(C)C)cc(C(C)C)c(Cl)c1C 5839995 GLNCOIVYNWLBQV-HNNXBMFYSA-N 333.299 5.875 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 141355 ITVLADNVVXRMJH-GXDHUFHOSA-N 340.209 6.318 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3)n2)c(C)c1 508295 QQRUPTUIRSSZPZ-RVDMUPIBSA-N 349.434 5.543 50 40 EKGB N#C/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 6883215 HNLZVGAGAGRYGC-OWOJBTEDSA-N 348.627 5.218 50 40 EKGB ClCc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl 44154646 LCFJVWSEZNBVPA-UHFFFAOYSA-N 337.637 5.585 50 40 EKGB Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1 560393 VFGWOYLNIMUXDB-KGENOOAVSA-N 343.401 5.777 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc12 6351154 VBYMHUHZODGZNM-AQTBWJFISA-N 343.382 5.001 50 40 EKGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 59116976 ZECPSMPWJDFBIP-QINSGFPZSA-N 338.838 5.183 50 40 EKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 2281071 HBCMFVKKSWCFKB-ATVHPVEESA-N 345.471 5.712 50 40 EKGB O=C(NN=C1CCCCCCCCCCC1)c1cccc(Cl)c1 5428159 IJULRIJQETWBPJ-UHFFFAOYSA-N 334.891 5.731 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(F)cc1 7278034 JTTXSXDIHRDTEE-ATVHPVEESA-N 334.369 5.437 50 40 EKGB CCC(C)(C)c1ccc(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c1 1724247 SRXGGINKCSIUPX-ZIAGYGMSSA-N 346.342 5.136 50 40 EKGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)c2cccc(F)c2)o1 409394345 ZFLZGIJBVKKMMO-YBEGLDIGSA-N 347.345 5.157 50 40 EKGB CC1=CC(C)(C)N(C(=O)[C@H](Cl)c2ccccc2)c2ccc(C)cc21 541820 VWQPXGOKYAFHMH-LJQANCHMSA-N 339.866 5.504 50 40 EKGB CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=N/NC(=O)c1c[nH]c2ccccc12 6053399 URTXDKJXOBFYFB-YVZDIJQDSA-N 349.478 5.212 50 40 EKGB Cc1cccc(-n2cccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1C 6814947 NDEQGWTURQWIME-AQTBWJFISA-N 343.386 5.067 50 40 EKGB CCCCOP(=O)(OCCCC)/C(C#N)=C\c1ccc(C)o1 8665331 JNVCYZQGVVZUDS-VBKFSLOCSA-N 325.345 5.279 50 40 EKGB ClCCN(CCCl)c1ccc2c(c1)[C@H](Cl)c1ccccc1-2 2045783 GWEZPMQAANOITN-QGZVFWFLSA-N 340.681 5.279 50 40 EKGB COc1cc(C)c(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1OC 33782336 YNOUXUZOFGSPAL-DHDCSXOGSA-N 347.336 5.095 50 40 EKGB CC(C)(C)c1ccc2nc(Cl)c(CCCBr)cc2c1 41195175 ASMOMFUBANZSJQ-UHFFFAOYSA-N 340.692 5.513 50 40 EKGB BrCc1ccc(-c2ccc(Br)cc2)cc1 59160404 AJHADXHEAFCOTE-UHFFFAOYSA-N 326.031 5.011 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)cc1 408779663 HBKKRAUJQFGHRL-NDENLUEZSA-N 346.861 6.120 50 40 EKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)c2cccc(F)c2)o1 409393308 PYGHRJOPKKFIRP-PTNGSMBKSA-N 347.345 5.157 50 40 EKGB CCCCOP(=O)(OCCCC)/C(C#N)=C/c1ccc(C)o1 1637660 JNVCYZQGVVZUDS-FOWTUZBSSA-N 325.345 5.279 50 40 EKGB N#C/C(C(=O)c1cc(Cl)ccc1Cl)=C1/Nc2ccccc2S1 100813292 XJIUAGDLBOWFPH-LFIBNONCSA-N 347.226 5.129 50 40 EKGB Cc1cccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 4174884 BJPQLZUFAVJYGC-SXGWCWSVSA-N 347.399 5.091 50 40 EKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccccc1 32115724 VEONVVLIWAQABA-QINSGFPZSA-N 337.831 6.148 50 40 EKGB COc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1Br 408599365 TUHNFRNZWHSOLC-QPEQYQDCSA-N 348.627 5.175 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc2ncccc2c1 408967805 UZNXXLPWDYIHAZ-HYARGMPZSA-N 349.437 5.707 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 6351569 IQKSROIITMUUBX-LGMDPLHJSA-N 344.370 5.211 50 40 EKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(OC)cc1 408581989 KPLAAVSDQRRBAS-XDJHFCHBSA-N 341.410 5.477 50 40 EKGB O=C(c1ccc(Cl)c(C(F)(F)F)c1)[C@H](Cl)c1ccccc1 575361248 VSFWUDRHEGLSQL-CYBMUJFWSA-N 333.136 5.522 50 40 EKGB CC(C)(C)OOC(C)(C)c1ccccc1C(C)(C)OOC(C)(C)C 59798838 CCNDOQHYOIISTA-UHFFFAOYSA-N 338.488 5.650 50 40 EKGB C[C@H](Cl)C(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C 507236 GYEYKZPZBQXUPT-YCRPNKLZSA-N 341.882 5.135 50 40 EKGB N#CC(C#N)=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 40007482 ZRKKGOORIPTUHK-UHFFFAOYSA-N 329.186 5.003 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1F 6228472 XRRLDRUPHWFRKB-RGEXLXHISA-N 329.374 5.469 50 40 EKGB Cc1c(/C=C(\C#N)c2ccc(Cl)cc2Cl)c2ccccc2n1C 59248602 RWSFJWGPDPWMSD-UKTHLTGXSA-N 341.241 5.858 50 40 EKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(OC)cc1 408581168 GYYMHHNYTMMSGZ-LFIBNONCSA-N 327.811 5.202 50 40 EKGB Cc1c(C(=O)CCCCBr)cccc1-c1ccccc1 575358532 PJOMNFDCMFTEEE-UHFFFAOYSA-N 331.253 5.410 50 40 EKGB CCCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 40144633 WLEXGOQSSIGUSN-SFQUDFHCSA-N 341.838 5.592 50 40 EKGB O=C(Cl)c1c(Cl)c(Cl)c(C(F)(F)F)c(Cl)c1Cl 2541687 NXYARVYAXCRAAB-UHFFFAOYSA-N 346.346 5.698 50 40 EKGB in-vitro CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 4211370 INXZDPDELXCEMZ-RVDMUPIBSA-N 338.838 5.183 50 40 EKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 5173035 BVGZPZDSHYINHU-SRZZPIQSSA-N 349.261 5.055 50 40 EKGB O=C(CCSc1ccc(Cl)cc1)NN=C1CCCCCCC1 408719854 NLSLQTDXBNQMNV-UHFFFAOYSA-N 338.904 5.039 50 40 EKGB O=C(c1ccc(C(F)(F)F)cc1Cl)[C@@H](Cl)c1ccccc1 575361572 RTUGKZYHCPSNRM-ZDUSSCGKSA-N 333.136 5.522 50 40 EKGB CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 6410874 PMWZVRAAXWUQAZ-GHRIWEEISA-N 344.439 5.107 50 40 EKGB C=CCn1c(C)c(/C=C(\C#N)c2cccc(Cl)c2)c2ccccc21 408598823 KCBUBYKOPDODJS-GHRIWEEISA-N 332.834 5.853 50 40 EKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1 409074227 YSIQLBKFMLIBRD-NBVRZTHBSA-N 347.870 6.555 50 40 EKGB c1ccc2c(c1)N[C@H](SS[C@H]1Nc3ccccc3S1)S2 1701158 LSIWVWVYFGQFSQ-KBPBESRZSA-N 336.532 5.371 50 40 EKGB ClCCN(CCCl)c1ccc2c(c1)[C@@H](Cl)c1ccccc1-2 1614569 GWEZPMQAANOITN-KRWDZBQOSA-N 340.681 5.279 50 40 EKGB C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1Cl 209406228 NHSBDRFGVQWXSQ-CXUHLZMHSA-N 342.225 5.378 50 40 EKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(C)C 571776 JPZSUOYTJKAPPE-MHWRWJLKSA-N 327.811 5.200 50 40 EKGB Cc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1 33722097 CQAYKKRISZDMMI-YBFXNURJSA-N 330.456 5.800 50 40 EKGB CCCC1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1 4155837 NWGMLFUANJFZTC-UHFFFAOYSA-N 327.255 5.070 50 40 EKGB N#C/C(=C\c1ccco1)c1nc(-c2ccc3ccccc3c2)cs1 4291966 HGPHKLHQUFZZKO-GZTJUZNOSA-N 328.396 5.620 50 40 EKGB Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4n3C)o2)cc1 4939668 QQRSARAFAGAOLW-GHRIWEEISA-N 339.398 5.206 50 40 EKGB FS(F)(F)(F)(F)c1ccc(S(F)(F)(F)(F)F)cc1 100042547 QLIYRPKCXKSMRH-UHFFFAOYSA-N 330.212 7.001 50 40 EKGB CCOC(=O)/C(O)=C(/C#N)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 104055190 LBPRXOSZJJVKMA-FMQUCBEESA-N 349.430 5.007 50 40 EKGB Clc1ccccc1-c1nc(C(Cl)Cl)n(-c2ccccc2)n1 198658 DKPNFPNSTUWSNH-UHFFFAOYSA-N 338.625 5.064 50 40 EKGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1cccc2ccccc12 5777616 KTVJJXSSAOOBQL-FOWTUZBSSA-N 332.790 5.039 50 40 EKGB Cc1[nH]c2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2[nH]1 408598974 MPEIRGAHCDFCEN-JLHYYAGUSA-N 330.416 5.009 50 40 EKGB CCN(CC)c1ccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)o1 39127446 INCWTRUIWXXZJR-KAMYIIQDSA-N 334.341 5.209 50 40 EKGB CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccccc1C 217708331 GZFPJTFACMDEEI-UHFFFAOYSA-N 339.218 5.005 50 40 EKGB BrCc1sc(-c2ccccc2)nc1-c1ccccc1 12370269 QDYJLVQRXQKPKL-UHFFFAOYSA-N 330.250 5.372 50 40 EKGB C[C@@H](COOC(C)(C)C)c1cccc([C@@H](C)COOC(C)(C)C)c1 59742163 LABVSEXGUJJTOX-HOTGVXAUSA-N 338.488 5.387 50 40 EKGB CC(C)[Si](Oc1cccc(Br)c1)(C(C)C)C(C)C 169743819 YOSBXSDNMZXREZ-UHFFFAOYSA-N 329.354 6.003 50 40 EKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)c1 408772853 NPDACJBWAKWMSD-UYRXBGFRSA-N 347.462 5.074 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1 76539898 JXOXMIJHMALBNZ-GHRIWEEISA-N 333.818 5.956 50 40 EKGB N#C/C(=C\c1ccnc2ccccc12)c1nc(-c2ccccc2)cs1 11615975 PBSQKTINPYNGLU-SFQUDFHCSA-N 339.423 5.422 50 40 EKGB C[C@H](Br)CCc1ccc(CC[C@H](C)Br)cc1 68563243 QFWLVUKMXQHLHF-RYUDHWBXSA-N 348.122 5.119 50 40 EKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2ccccn2)cc1 5128530 NUHYDDPXXCBNHT-LTGZKZEYSA-N 339.442 5.172 50 40 EKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c1C 7164317 WEBPCUGVDQQEBZ-RIYZIHGNSA-N 345.229 5.156 50 40 EKGB COc1cc(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1C(C)C 8333714 JKPJCHSEMGJQSU-YVLHZVERSA-N 336.391 5.099 50 40 EKGB O=C(Cl)Cc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1 41127398 KKFTYILVHXTBSU-UHFFFAOYSA-N 347.801 5.470 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1OC 409390605 GBRJARTZCJVRBN-XGHPXPSOSA-N 325.383 5.076 50 40 EKGB Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)o1 4175155 CYVDBRBQOMICSS-WQRHYEAKSA-N 348.471 5.974 50 40 EKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1 6240957 UTNSOYWASFBIBQ-XDJHFCHBSA-N 348.405 5.539 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(C#N)c1 17067906 BLPVWMJOROAYPB-BOPFTXTBSA-N 330.774 5.536 50 40 EKGB CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60272441 CBPVAIUOSQZRCK-UHFFFAOYSA-N 347.462 5.561 50 40 EKGB in-vitro Cc1cccc(COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2)c1 409389275 ARVWVGJIQVBSBS-BKUYFWCQSA-N 343.401 5.777 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2cccc3ccccc23)c(OCC)c1 6355103 WKTBLMGZVFRBHM-RGEXLXHISA-N 343.426 5.701 50 40 EKGB CC(C)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(C(C)C)c1O 408854137 YHJAVKQHCRDAGF-LICLKQGHSA-N 348.446 5.185 50 40 EKGB Cc1ccc(-c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1 15859133 DNFFKIJTTVDDQL-UHFFFAOYSA-N 332.432 5.077 50 40 EKGB O=C(CCCCBr)c1cc(Cl)cc(Cl)c1Cl 309191558 OOZYYJPMRWCUJT-UHFFFAOYSA-N 344.463 5.395 50 40 EKGB N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 216023772 OSDZXLAIEOPRCX-VBKFSLOCSA-N 332.790 5.039 50 40 EKGB Cc1ccccc1C(C(=O)Cl)(c1ccccc1)c1ccccc1C 4748132 ZYKXMFKUULSWCO-UHFFFAOYSA-N 334.846 5.403 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1Cl 6168457 WQMXHQDHRQACRD-OJNRTJSBSA-N 329.802 5.721 50 40 EKGB ClCSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1693113 SEBXHYNSUTYHGW-UHFFFAOYSA-N 330.878 6.242 50 40 EKGB CC/C(=N/NC(=O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 4651620 JTOWDMNJXLDBTQ-PYCFMQQDSA-N 344.886 5.052 50 40 EKGB CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)c1 409363114 KYVFIETYLUDMCP-RGEXLXHISA-N 343.382 5.187 50 40 EKGB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2ccc(-c3ccccc3)cc2)C1 33908801 RLFAOMQSVJUXMG-INZAYJCZSA-N 344.458 5.372 50 40 EKGB C[C@@H]1C(=O)Nc2ccc(-c3csc(C(C#N)=C4CCCCC4)n3)cc21 101089674 XUXWVNLHAODERE-LBPRGKRZSA-N 349.459 5.107 50 40 EKGB COc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(OC)c1 408589214 ZCBLFEBWANOZRX-QPEQYQDCSA-N 334.202 5.075 50 40 EKGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)cc1 409106372 LQMOEYGYOYBLOF-WJDWOHSUSA-N 326.802 5.143 50 40 EKGB N#C/C(=C/Nc1cccc2ccccc12)c1nc2cc(Cl)ccc2o1 5741282 BZTPKOARFIVQBF-OWBHPGMISA-N 345.789 5.611 50 40 EKGB CCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1 16639142 YLXLFUNWODMUHP-SSZFMOIBSA-N 334.444 5.539 50 40 EKGB C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccccc1 409052796 AMFQRTVNPRBINF-OQLLNIDSSA-N 330.214 5.622 50 40 EKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)c1 409393337 QICBSCLAQJBOGS-MTJSOVHGSA-N 344.433 5.914 50 40 EKGB Cc1cc(-c2ccc(/C=C/C(=O)Cl)o2)c(C)cc1Br 45957929 OTYHLBUVTIWUTM-GQCTYLIASA-N 339.616 5.105 50 40 EKGB N#CC(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 49085 LZZKBDWJFFXOMN-UHFFFAOYSA-N 329.186 5.003 50 40 EKGB FC(F)(F)[C@H](Cl)/C(=C\Oc1cccc(Cl)c1)c1ccccc1 165377 FVYWMGJCGMIVLX-BAAYTWLHSA-N 347.163 5.930 50 40 EKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)c1C 59133225 VVPMDDIHPFJCDG-QGOAFFKASA-N 332.447 5.147 50 40 EKGB COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccccc1 409366532 VPPSXXXQPLQCNE-STZFKDTASA-N 341.410 5.338 50 40 EKGB ClCc1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 73635372 ZFSWWZMYJZWBMJ-UHFFFAOYSA-N 328.651 6.009 50 40 EKGB N#C/C(=C\C=C/c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 13143001 DPSQMRLRYONVQW-VDHUBAETSA-N 348.858 6.084 50 40 EKGB Clc1cccc(-c2nc3ccc(CBr)cc3s2)c1 73740265 OVOWZGCMKMTQKJ-UHFFFAOYSA-N 338.657 5.512 50 40 EKGB Clc1ccccc1-c1nc2ccc(CBr)cc2s1 73740273 AKUIFKBXDIYJMI-UHFFFAOYSA-N 338.657 5.512 50 40 EKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1 4705356 CZQJGAIBJWPUCN-NTEUORMPSA-N 345.229 5.101 50 40 EKGB N#C/C(=C/Nc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2o1 5569739 QJWJMSZNISMJNN-KTKRTIGZSA-N 330.174 5.111 50 40 EKGB CCCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1 4423451 TVUMSEIVLLXYLE-VKAVYKQESA-N 348.471 5.929 50 40 EKGB CC/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(C)o1 17072192 ZLJPEHUPGIVJII-XDHOZWIPSA-N 346.839 5.000 50 40 EKGB Cc1cccc(N/C(S)=C(/C#N)c2nc3ccccc3s2)c1C 96996696 RKEYJWFQQAFGOP-GHRIWEEISA-N 337.473 5.147 50 40 EKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)c1C 211570181 QFTSZIIWCVRISM-UYRXBGFRSA-N 326.399 5.002 50 40 EKGB COc1ccc(OCCCCCCCCCCBr)cc1 1720487 DSINQBXRBIUQOK-UHFFFAOYSA-N 343.305 5.590 50 40 EKGB CC(C)N(C(C)C)[P@](=O)(C(Cl)Cl)C(Cl)(Cl)Cl 3227326 SUJQXTPFIMFDQO-INIZCTEOSA-N 349.453 5.472 50 40 EKGB O=C(Nc1ccccc1C(F)(F)F)[C@@H](Cl)c1ccccc1Cl 162807 HPODJEIVMKBXIG-ZDUSSCGKSA-N 348.151 5.277 50 40 EKGB COc1cccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1OC 408586328 MXLNCUKENGWQNK-JYRVWZFOSA-N 334.202 5.075 50 40 EKGB CCCOP(=O)(C#CC(C)(C)OOC(C)(C)CCC)OCCC 2300523 BNNYBHBHNFLODK-UHFFFAOYSA-N 348.420 5.299 50 40 EKGB CCCOc1c(Cl)cc(/C=C(\C#N)c2ccccc2)cc1Cl 409046789 MDECNRSVSFOTAJ-OQLLNIDSSA-N 332.230 5.846 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1)Sc1nc2ccccc2s1 3282626 QNQIJAOJCIXCII-UKTHLTGXSA-N 328.849 5.606 50 40 EKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 4699786 SNQAQPSAANSYLD-SRZZPIQSSA-N 349.261 5.055 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc(F)cc2)cc1Cl 4545774 WUYULVAJSXESNQ-YDRQLGOLSA-N 329.802 5.721 50 40 EKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Cl)c1OC 6441181 SEJSLICLMSXAOQ-MHWRWJLKSA-N 349.817 5.575 50 40 EKGB Cl[C@H]1[C@H]2c3ccccc3[C@H](c3cc4c(cc32)CCCC4)[C@H]1Cl 101010252 UUEJWUWHXSLEPQ-FGYAAKKASA-N 329.270 5.371 50 40 EKGB CCN(CC)c1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1 408587137 QYAQRKNSBLBACJ-WJDWOHSUSA-N 345.273 5.904 50 40 EKGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc1 38825 YRUBTSBJYQYTSZ-NRFANRHFSA-N 340.426 5.181 50 40 EKGB ClCCN(CCCl)c1ccc2c3c(cccc13)-c1ccccc1-2 1695001 DVVINKDPRPFYQA-UHFFFAOYSA-N 342.269 5.771 50 40 EKGB O=C(Cl)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 218721214 OXFNRWBPTAXOBO-UHFFFAOYSA-N 333.573 5.091 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)cc1 408772049 JUXBXXPBSUPAMH-UYRXBGFRSA-N 347.462 5.074 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1OC 6355432 DBJZEVTWFWJFOG-AQTBWJFISA-N 329.399 5.311 50 40 EKGB COc1ccc2ccccc2c1/C=C(/C#N)c1cccc2ccccc12 6449805 UXUYZHNLQSOCFJ-CYVLTUHYSA-N 335.406 6.066 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1-c1ccc2c(c1)CCC2 17473016 SOKHNESYPMSITQ-FYJGNVAPSA-N 339.442 5.042 50 40 EKGB O=C(Cl)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F 100549850 NASZWNYHQOQNPY-UHFFFAOYSA-N 344.560 5.122 50 40 EKGB in-vitro N#C/C(=C\c1cccs1)c1nc(-c2ccc3ccccc3c2)cs1 4291967 AJVZBPRZLBFBEE-GZTJUZNOSA-N 344.464 6.089 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccccc1F 6235919 QITCLULANHWXPG-ATVHPVEESA-N 334.369 5.437 50 40 EKGB CCOc1cc(C(=O)Cl)ccc1OCc1cccc2ccccc12 218721722 MCJTVDCIMRQMLH-UHFFFAOYSA-N 340.806 5.197 50 40 EKGB COc1cc(C)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1C(C)C 408549448 SZYWWXGULGABDM-XKZIYDEJSA-N 341.454 6.344 50 40 EKGB C[C@@H](Cl)[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2270636 IIJWXHQNSKMSBO-ABAIWWIYSA-N 340.275 5.067 50 40 EKGB CCCOc1ccc2ccccc2c1/C=C(/C#N)c1ccc(C#N)cc1 17070994 MOTNPHAHNSBEBZ-ZHZULCJRSA-N 338.410 5.564 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\C=C/c3ccccc3)n2)c(C)c1 17186300 AWGRKLUOSBWAEK-HIELQDAGSA-N 342.467 6.047 50 40 EKGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2ccc(-c3ccccc3)cc2)C1 100204584 RLFAOMQSVJUXMG-KKPVDXMRSA-N 344.458 5.372 50 40 EKGB CCCCCCCCOc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1 97980753 CLMXOPNIPKDHDV-LTGZKZEYSA-N 348.487 5.285 50 40 EKGB Cc1cccc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)c1 33652393 IYQNOXRANJFNFW-IWIPYMOSSA-N 338.410 5.065 50 40 EKGB Cc1ccccc1/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 44827302 DVKIYBOXZWKWPX-CXUHLZMHSA-N 347.399 5.091 50 40 EKGB Cc1ccc(SCCC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 572062 MMSVDFGMWKTLIE-UHFFFAOYSA-N 346.540 5.186 50 40 EKGB CCC(/C=C\c1ccccc1)=N/NC(=O)c1ccc(Cl)c(Cl)c1 17174678 JAKLJHAKIBFWNU-GYIGWURCSA-N 347.245 5.203 50 40 EKGB COc1cc(/C=C/C#N)ccc1OCc1ccc(Cl)c(Cl)c1 6453843 OTHSGBXXZFSVNR-NSCUHMNNSA-N 334.202 5.118 50 40 EKGB CC(=O)N(Nc1ccccc1/N=N\c1ccccc1)c1ccccc1 100369480 MPSDZCCLHKLCNR-DQRAZIAOSA-N 330.391 5.482 50 40 EKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1 138068597 UZGQFVWERUVNCU-NBVRZTHBSA-N 332.447 5.092 50 40 EKGB N#C/C(=C/c1ccc(OCC(=O)c2ccccc2)cc1)c1ccccc1 6829416 CVYCSVMQDSZERX-QNGOZBTKSA-N 339.394 5.012 50 40 EKGB N#C/C(=C\C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(N)=S 16739762 CGTZIMSTGBXOIG-IGAJHJTCSA-N 349.242 5.003 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1cccc2ccccc12 409318511 WCWXPGDUCLTGBJ-RGEXLXHISA-N 346.389 6.036 50 40 EKGB C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1 4934212 INWWJQVOCCEROI-KYWOULDRSA-N 342.398 5.102 50 40 EKGB O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2CCCCCl 5593892 SQVNSHSOPIAHBP-UHFFFAOYSA-N 334.828 5.217 50 40 EKGB N#C/C(=C\c1c(O)ccc2ccccc12)c1ccc(Cl)cc1Cl 408581639 YFPIGNFNUZJCEP-UKTHLTGXSA-N 340.209 5.916 50 40 EKGB CC(C)c1ccc([C@H]2C3=C(CCCCC3)C(C#N)=C(N)[C@H]2C#N)cc1 16575853 GKABHDYYLWCAIB-SFTDATJTSA-N 331.463 5.044 50 40 EKGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1ccc2ccccc2c1 408548675 KYTHHPKBIDGQLV-HKWRFOASSA-N 328.415 5.487 50 40 EKGB CCOc1cc(/C=C/C#N)ccc1OCc1cccc2ccccc12 5980274 CWOCCRURHJUBIO-VOTSOKGWSA-N 329.399 5.354 50 40 EKGB N#CC(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 38536790 MSLHQTCMMVJNCN-UHFFFAOYSA-N 329.186 5.003 50 40 EKGB COc1cccc(-c2csc(/C(C#N)=C/c3ccccc3C)n2)c1 33617033 XGXAMRMTSPMWHC-LICLKQGHSA-N 332.428 5.191 50 40 EKGB Cc1cc(C(=O)Cl)cc(C)c1OC(=O)c1ccc(C(C)(C)C)cc1 218715969 JZDGMGVLHJFSCQ-UHFFFAOYSA-N 344.838 5.199 50 40 EKGB CC(/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C)=C\c1ccccc1 211521610 CQRSDTOKCFGSET-YYMXQEISSA-N 336.822 5.140 50 40 EKGB N#C/C(=C/c1cccn1-c1ccccc1)c1cccc(Br)c1 6393237 JGLUXVPASPMBGE-SSZFMOIBSA-N 349.231 5.304 50 40 EKGB CC(C)[Si](Oc1cc(C(=O)O)c(F)cc1F)(C(C)C)C(C)C 219789986 LZIUMEXKNKWJSY-UHFFFAOYSA-N 330.447 5.217 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)c(OCC)c1 409348811 PMCSKETXIYJOFZ-WJDWOHSUSA-N 327.811 5.202 50 40 EKGB O=C(/C=C\c1ccccc1)Nc1ccccc1SCCCCl 31871740 WWXCUUWPGWXVQX-QXMHVHEDSA-N 331.868 5.060 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)c(C)c1 59475005 OLKZTVIUJQSFJT-UYRXBGFRSA-N 326.399 5.002 50 40 EKGB ClCc1ccc2nc(-c3ccccc3Br)sc2c1 73635174 IETOLNLQCRAYBI-UHFFFAOYSA-N 338.657 5.465 50 40 EKGB BrCc1ccccc1C(c1ccccc1)c1ccccc1 103837486 YDDQXVXFTGEGKJ-UHFFFAOYSA-N 337.260 5.762 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)c1ccccc1 7007324 DEWAXZQVOJASRC-NBVRZTHBSA-N 327.383 5.028 50 40 EKGB CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2[C@@H](C)CC1(C)C 223532379 MWRUNEZDKBDNQB-NNIWKIFQSA-N 330.475 5.863 50 40 EKGB COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br 409341697 FESVMSLKQHSLDX-JYRVWZFOSA-N 348.627 5.175 50 40 EKGB N#C/C(=C\c1ccc(Sc2ccccc2)o1)c1cccc([N+](=O)[O-])c1 1071305 HOEGXWWGXOSGNZ-NTCAYCPXSA-N 348.383 5.403 50 40 EKGB Cc1cc2c(cc1/C=C(\C#N)c1ccccc1)[C@H](C)CC(C)(C)N2C 208234102 LHYVVRMOQURJES-XNHPLOEXSA-N 330.475 5.781 50 40 EKGB CCOc1cc(Cl)c(/C=C(/C#N)c2cccc(F)c2)cc1OCC 409393650 RVXZUZDWTMSTNW-NVNXTCNLSA-N 345.801 5.341 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3)n2)cc1 13765963 JBUCBRHCJUDCKR-PTNGSMBKSA-N 335.407 5.234 50 40 EKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3cccc(F)c3)o2)cc1 409390057 DLGVCDNTMJFRMR-VBKFSLOCSA-N 335.403 5.943 50 40 EKGB C/C(=N\NC(=O)C1CCCCC1)c1ccc(C2CCCCC2)cc1 4646890 DSPZAPBIYDFSFR-CJLVFECKSA-N 326.484 5.155 50 40 EKGB CCCCC/C=C\C/C=C\CCCCCCCCBr 83316802 SBRPUFDSMGABKD-HZJYTTRNSA-N 329.366 7.195 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 409366338 UKTGFAOPSAGTMC-MOSHPQCFSA-N 345.829 5.983 50 40 EKGB CCCCCCCc1ccc(C(=O)[C@@H](Cl)c2ccccc2)cc1 575357581 RKOKPIZHLAUPHF-FQEVSTJZSA-N 328.883 6.362 50 40 EKGB CCOc1c(Cl)cc(/C=C(/C#N)c2ccccc2F)cc1Cl 6844584 SSZUAKIRSFHLAB-GHXNOFRVSA-N 336.193 5.595 50 40 EKGB C[C@H]1[C@H](Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104342816 XQUNRGCTVRBIIY-QDYXJYSBSA-N 349.299 5.075 50 40 EKGB O=C(CCCCCBr)c1ccc(-c2ccccc2)c(F)c1 575357273 BHLUYZVEGHQBOK-UHFFFAOYSA-N 349.243 5.631 50 40 EKGB O=C(c1cccc(OCc2ccccc2)c1)[C@@H](Cl)c1ccccc1 310113470 BKUKHYWHICHMGG-FQEVSTJZSA-N 336.818 5.428 50 40 EKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)c1 76559 NWHHOWAKUUVGLK-UKTHLTGXSA-N 345.229 5.156 50 40 EKGB CCN(CC)c1ccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)o1 39127406 OTQCWVCIQYCQHR-KAMYIIQDSA-N 334.341 5.209 50 40 EKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408580070 MVTAYXWEXVSHPX-GXDHUFHOSA-N 332.230 5.846 50 40 EKGB [N-]=[N+]=N[C@H](c1ccccc1)[C@H](I)c1ccccc1 4946494 CXDXFIIGFFUSBP-ZIAGYGMSSA-N 349.175 5.214 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C)n2)cc1C 34746526 MDJFCBWLAICPKF-YBFXNURJSA-N 330.456 5.800 50 40 EKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1 409358085 KDNCKTBYTNAKQW-QGOAFFKASA-N 347.845 6.345 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(/C#N)c1cccc2ccccc12 6355683 VOUROFVLMWLESB-SILNSSARSA-N 349.433 6.456 50 40 EKGB CC(C)[Si](Oc1cccc(OC(F)(F)F)c1)(C(C)C)C(C)C 196307174 FNCUOLDGMVLYBH-UHFFFAOYSA-N 334.454 6.140 50 40 EKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 560242 PLMQKGWRLXWOHC-KGENOOAVSA-N 343.401 5.777 50 40 EKGB N#C/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 6453149 ZATGTEUQTAJNHO-OWOJBTEDSA-N 338.621 5.763 50 40 EKGB C#CCOc1ccc2ccccc2c1/C=C(/C#N)c1cccc(F)c1 409389058 AFPQGAMRNMEDNV-JXAWBTAJSA-N 327.358 5.055 50 40 EKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1 5559429 MLZUXARRFADWSP-CAPFRKAQSA-N 333.431 5.436 50 40 EKGB CSc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1 33524361 YYCYKLDBGIHVPX-LDADJPATSA-N 344.439 5.107 50 40 EKGB CCCCCCCCCCCCOCCOCCOCCCl 100069944 NILDFPQYJJCVCQ-UHFFFAOYSA-N 336.944 5.196 50 40 EKGB Cc1ccccc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 4538566 LBXKJCFYCCUDJV-MHWRWJLKSA-N 336.847 5.836 50 40 EKGB CC(=O)N(Nc1ccccc1)c1ccc(/N=N\c2ccccc2)cc1 100368378 OQHWYIOZMCTISQ-DQRAZIAOSA-N 330.391 5.482 50 40 EKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c1 408776575 WDINHGXVJRSWFI-UNOMPAQXSA-N 348.446 5.143 50 40 EKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1 6026918 RMCMMQAQDJEBTM-FOWTUZBSSA-N 349.434 5.488 50 40 EKGB C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1 2304404 INWWJQVOCCEROI-CMAAAVFUSA-N 342.398 5.102 50 40 EKGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc2ccccc12 408599376 GTZDGFGPXSQOGX-LFVJCYFKSA-N 344.458 5.291 50 40 EKGB CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 4175057 ABAASJSEJZTDHW-UNOMPAQXSA-N 344.483 6.054 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1cccc(Cl)c1 408599732 ZCWKHHMWCLDKJR-WJDWOHSUSA-N 349.773 5.362 50 40 EKGB C[C@@H](Cl)C(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 507235 GYEYKZPZBQXUPT-VFNWGFHPSA-N 341.882 5.135 50 40 EKGB CC[C@H](C)n1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 409208826 CIQYUDWNFMENLE-ZKMNFCBKSA-N 345.402 5.585 50 40 EKGB N#C/C(=C/c1cccc(Br)c1)c1cccc2ccccc12 6496617 UFRQKRJLCYILHC-WJDWOHSUSA-N 334.216 5.666 50 40 EKGB CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)CCl 72400270 NURTYQLWOUBFLF-GOSISDBHSA-N 348.955 5.611 50 40 EKGB in-vitro Cc1cc2nc(/C(C#N)=C/c3c(C)[nH]c4ccccc34)[nH]c2cc1C 107861488 BWSPSPVQBNRGME-XNTDXEJSSA-N 326.403 5.034 50 40 EKGB O=CC1=C(c2ccccc2)OC(c2ccccc2)=C[C@@H]1c1ccccc1 3185624 DWIKATDJQRTUPP-OAQYLSRUSA-N 338.406 5.452 50 40 EKGB CC1(C)CCCC(C)(C)[C@]23OO[C@]12[C@@]12O[C@]13C(C)(C)CCCC2(C)C 100349952 RKFADFVDGZXURF-COPRSSIGSA-N 348.527 5.420 50 40 EKGB O=C(c1cc2ccccc2c2ccccc12)[C@H](Cl)c1ccccc1 575359076 QYAPVCFXYYOOMS-OAQYLSRUSA-N 330.814 6.156 50 40 EKGB c1ccc2c(c1)N[C@@H](SS[C@@H]1Nc3ccccc3S1)S2 1701159 LSIWVWVYFGQFSQ-ZIAGYGMSSA-N 336.532 5.371 50 40 EKGB CC(C)[Si](OCCc1ccc(F)c(C(=O)O)c1)(C(C)C)C(C)C 219799063 CZWHDUYNHOLJBB-UHFFFAOYSA-N 340.511 5.259 50 40 EKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3cccs3)n2)cc1 4853307 WHFJLLXBYMYMBZ-UVTDQMKNSA-N 338.457 5.334 50 40 EKGB CC(=O)N(Nc1ccccc1)c1ccc(/N=N/c2ccccc2)cc1 13403451 OQHWYIOZMCTISQ-QURGRASLSA-N 330.391 5.482 50 40 EKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(\C#N)c3ccccc3)cc21 223482279 QAWJWDATVGDTIJ-FYJGNVAPSA-N 342.486 6.161 50 40 EKGB CN(C)c1ccc(/C=C(/C#N)c2nc(-c3cccs3)cs2)cc1 4547007 HSSWENYYQQGCLH-UVTDQMKNSA-N 337.473 5.002 50 40 EKGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](Cl)CC[C@@]43C)[C@@H]1CC=C2Cl 118934209 QEDOGUNHMUQLSF-HKQXQEGQSA-N 325.323 6.289 50 40 EKGB N#C/C(=C/c1ccco1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 4006083 VILJCXTVBGMJEZ-WDZFZDKYSA-N 347.226 5.774 50 40 EKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C)n2)cc1 6355339 JOYLSIYPDVAJLT-PDGQHHTCSA-N 346.455 5.581 50 40 EKGB Cc1[nH]c2ccccc2c1/C=C(\C#N)c1ccc(Cl)c(Cl)c1 84742354 GTKRHWDHVXCALH-MDWZMJQESA-N 327.214 5.847 50 40 EKGB C=CCOc1c(CC=C)cc(/C=C(\C#N)c2ccccc2)cc1OCC 409068539 RVTAKXSQXBAPHJ-RCCKNPSSSA-N 345.442 5.443 50 40 EKGB Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccccc2)cs1 348557 ZSRMXMNQLDDISM-RVDMUPIBSA-N 335.407 5.234 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 1115510 KIJFHYIAHRWDCD-SWEABUAFSA-N 341.838 5.590 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)cc1C 409393956 UCGONSDVOIPIQR-MTJSOVHGSA-N 344.433 5.914 50 40 EKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2)cs1 2282081 AACJLAJAZTZBHE-QGOAFFKASA-N 345.471 5.658 50 40 EKGB C[C@@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](Br)CC[C@]3(C)[C@@H]1CC2 68569305 BJTCHUWBZZQPHW-QMGHHKNQSA-N 339.361 6.183 50 40 EKGB O=C(CCCCl)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359252 YSNQCEMUQSGLBH-UHFFFAOYSA-N 349.861 6.358 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3)n2)c(C)c1 16662099 HIPDLJUWMPTZKH-FOWTUZBSSA-N 331.444 5.404 50 40 EKGB BrCc1ccccc1Oc1ccc(Br)cc1 95215893 ABSLXBABBAWEPN-UHFFFAOYSA-N 342.030 5.136 50 40 EKGB CC(C)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408578795 AZGHXHRUTHUCRL-NTEUORMPSA-N 332.230 5.845 50 40 EKGB O=C(c1cc(C(F)(F)F)ccc1Cl)[C@H](Cl)c1ccccc1 575360611 NCCJDUWDFMAVPZ-CYBMUJFWSA-N 333.136 5.522 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1C 59133279 ZJFNZHGXMZBWGR-RIYZIHGNSA-N 345.229 5.156 50 40 EKGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2s1 13647002 JZGXXEIUYWVSEL-XFFZJAGNSA-N 331.227 5.667 50 40 EKGB Cc1ccc(C)c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c1 100132656 AYGWXWFSCQFIKY-LFIBNONCSA-N 349.434 5.543 50 40 EKGB CCCCCCCC[C@H](I)CC(F)(F)F 103528165 AKJFFAAAOIDZQB-JTQLQIEISA-N 336.179 5.493 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1cccc(C#N)c1 408565742 AAXZAQVELSOIRQ-UUYOSTAYSA-N 336.394 5.201 50 40 EKGB ClC1=C(Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@H]3C[C@H]1[C@H]2[C@H]3Cl 95864981 OSFPUJNCRLXHDW-ZZXXDTOYSA-N 338.876 5.229 50 40 EKGB CCOc1ccc(Br)cc1/C=C(/C#N)c1cccc(F)c1 409390067 DNARCBUNSKTXKC-ZSOIEALJSA-N 346.199 5.051 50 40 EKGB ClCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 95026202 AAKXMFYKWMXIKN-UHFFFAOYSA-N 325.626 5.130 50 40 EKGB O=C(Cl)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccccc12 218727432 AAEROYVMWAHAHD-UHFFFAOYSA-N 343.813 5.533 50 40 EKGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1 4675171 JOCRYLVQRPMTPI-QGOAFFKASA-N 338.414 5.035 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)[nH]1)c1nc2ccccc2s1 5018287 XESBUKAJXLBHPQ-SDNWHVSQSA-N 345.402 5.495 50 40 EKGB CC(C)(C)c1cc(CCl)c2cc(C(C)(C)C)cc(CCl)c2c1 102472541 UCJJRYIEMQKFHM-UHFFFAOYSA-N 337.334 6.912 50 40 EKGB CCCCCCCCCCCC(=O)N/N=C/c1ccccc1OC 104164040 CMQROSGQXMKUPZ-HEHNFIMWSA-N 332.488 5.066 50 40 EKGB O=C(c1cccc(OC(F)(F)C(F)F)c1)[C@H](Cl)c1ccccc1 575360606 JNIUXUCUVFCEQK-CYBMUJFWSA-N 346.707 5.086 50 40 EKGB N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2ccccc2)cs1 551599 PAFJSIXIYQPVRS-JLHYYAGUSA-N 339.370 5.065 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1cccc(F)c1 6266130 KKMFPIWODQZYJP-BOPFTXTBSA-N 334.369 5.437 50 40 EKGB CC[Si](CC)(CC)O[C@@H](Sc1ccc(C)cc1)C(F)(F)F 627281317 SRKJLJRVNAKXNR-AWEZNQCLSA-N 336.495 5.997 50 40 EKGB Cc1ccc(-c2csc(NC(=O)[C@@H](Cl)c3ccccc3)n2)cc1 3268122 BWRYNRGNDMHXKK-INIZCTEOSA-N 342.851 5.037 50 40 EKGB CC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccccc3F)o2)cc1 6022722 VKCUAYZMOFWCGI-ATVHPVEESA-N 331.346 5.352 50 40 EKGB C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(C2CCCCC2)cc1 17071003 MHNUIDDGPBYIPY-HZHRSRAPSA-N 338.426 5.027 50 40 EKGB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H](Cl)c1ccccc1Cl 162804 WYLHGBBULDRUQZ-CYBMUJFWSA-N 348.151 5.277 50 40 EKGB N#C/C(=C\c1cccc(O)c1)c1nc2cc(C(F)(F)F)ccc2s1 12765396 MYQBDYARIJTECC-IZZDOVSWSA-N 346.333 5.085 50 40 EKGB C[C@@H]1[C@H](Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104342811 XQUNRGCTVRBIIY-IRTNZOGUSA-N 349.299 5.075 50 40 EKGB CCCCCCCCCCCCCCCC(=O)C(O)(O)[C@@H](C)Cl 1569996473 IWIDPAQXQVIGCX-QGZVFWFLSA-N 348.955 5.345 50 40 EKGB O=C(/C=C\c1ccc(Cl)cc1)C[C@H](Cl)c1ccc(Cl)cc1 17314053 YFVNMRBLFHZOEY-ZZBREXMISA-N 339.649 5.946 50 40 EKGB O=C(Cl)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 41127441 QLUGFRWLBCDNNZ-UHFFFAOYSA-N 347.801 5.470 50 40 EKGB FC(F)(F)c1cc(C(Cl)Cl)c(Cl)c(C(F)(F)F)c1 100485817 JAZNSJYRXAXPMF-UHFFFAOYSA-N 331.470 5.854 50 40 EKGB Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccccc3C)[nH]c2c1 33680526 HMKNOLKQHOTVFU-LGMDPLHJSA-N 338.414 5.035 50 40 EKGB CCN1c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc2[C@H](C)CC1(C)C 208312143 TXAWRSSHWMYFFS-BKAYVGFPSA-N 348.465 6.002 50 40 EKGB O=C(CCCCBr)c1ccc(C(F)(F)F)cc1Cl 575361558 QVJJOQUWMQMYEG-UHFFFAOYSA-N 343.570 5.107 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3C)n2)cc1 100839927 GQSFDHBFZVLDLK-PDGQHHTCSA-N 345.471 5.712 50 40 EKGB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/NC(N)=O 17109924 HUFFLSJWXYHJBV-JERDJRHPSA-N 342.270 5.001 50 40 EKGB Cc1ccc(COc2ccccc2/C=C(/C#N)c2ccccc2F)cc1 33540731 LXPKXHDLFWTWDZ-ZHZULCJRSA-N 343.401 5.777 50 40 EKGB CN(c1ccc(/C=C/c2ccccc2)cc1)P(=O)(Cl)Cl 104191384 XKRWQTUWHMAIIC-BQYQJAHWSA-N 326.163 5.879 50 40 EKGB COc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccccc2)cc1 162902964 QYLZBVZSLNZSSG-GHVJWSGMSA-N 348.873 6.283 50 40 EKGB C[C@H](CO)[C@H]1CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C 200416675 DGEVWAPMMLVXQF-ZQOJQMTGSA-N 326.597 5.222 50 40 EKGB Cc1ccc2nc(/C(C#N)=C\c3cn(C(C)C)c4ccccc34)[nH]c2c1 33731814 GXVFESHERMKJFO-WJDWOHSUSA-N 340.430 5.471 50 40 EKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1 408580304 OCIOSLPDNAUDPS-NBVRZTHBSA-N 345.829 6.122 50 40 EKGB O=C(CCl)N1c2ccccc2Sc2cc3ccccc3cc21 1574247 DJRBYTVTAUXSKO-UHFFFAOYSA-N 325.820 5.208 50 40 EKGB CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1 13647474 AGMNMMQXLOYHOD-SSZFMOIBSA-N 333.460 5.207 50 40 EKGB N#C/C(=C/c1cccc(Br)c1)c1ccc2ccccc2c1 33613622 ZPPADUKKUMMHPZ-ZDLGFXPLSA-N 334.216 5.666 50 40 EKGB O=C(c1ccc(Br)c(Cl)c1)[C@@H](Cl)c1ccccc1 148767855 HJHWUNHNTUFQEN-ZDUSSCGKSA-N 344.035 5.265 50 40 EKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)c1 408754359 JYCMVCNZVPBEPR-MOSHPQCFSA-N 346.861 6.120 50 40 EKGB CCCCCCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1 97957757 JTGGORIHQGFWIU-HEHNFIMWSA-N 347.458 5.826 50 40 EKGB Cc1ccccc1OCC(=O)NN=C1CCCCCCCCCCC1 4357387 KFFYJGWNRMVDHZ-UHFFFAOYSA-N 344.499 5.151 50 40 EKGB C[C@H](Cl)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2270637 IIJWXHQNSKMSBO-XHDPSFHLSA-N 340.275 5.067 50 40 EKGB CC(C)OP(=O)(OC(C)C)/C(C#N)=C\c1c[nH]c2ccccc12 8665330 NQAGBAGRZOZXKP-DHDCSXOGSA-N 332.340 5.075 50 40 EKGB C/C(=N\NC(=O)c1cccc2ccccc12)c1cccc2ccccc12 409181486 BOSSSENITDRDJZ-LFVJCYFKSA-N 338.410 5.147 50 40 EKGB C=C(C#N)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1569049 KGZSJCJEHCVJJV-UHFFFAOYSA-N 347.481 6.125 50 40 EKGB N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 9262748 LTUDMQPUPDJMJQ-NTCAYCPXSA-N 349.777 5.103 50 40 EKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4cccc(F)c4)o3)[nH]c2c1 409009388 FCMGGLSREAGCIX-PTNGSMBKSA-N 343.361 5.335 50 40 EKGB Br[C@@H](c1ccccc1)[C@@H](Br)c1ccccc1 1747113 GKESIQQTGWVOLH-KBPBESRZSA-N 340.058 5.259 50 40 EKGB biogenic CN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 33471705 FQRCGGOGESBBAN-WJDWOHSUSA-N 349.434 5.079 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 408543035 NBJQFKOHNFSDBY-JIHKLPAASA-N 345.446 5.421 50 40 EKGB Cc1cccc(N/C(S)=C(\C#N)c2nc3ccccc3s2)c1C 12564786 RKEYJWFQQAFGOP-LGMDPLHJSA-N 337.473 5.147 50 40 EKGB CC1=C(C#N)C(/C=C(\Cl)c2ccc3ccccc3c2)C(C#N)=C(C)N1 35193524 XAXBPPFLJOEOLN-FBHDLOMBSA-N 345.833 5.234 50 40 EKGB CCCCCCCC(=O)N/N=C(\C)CCC1=C(C)CCCC1(C)C 102991662 FJGYNRJRBPOJRS-RELWKKBWSA-N 334.548 6.146 50 40 EKGB COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl 408783767 QWABRZZLMKULRE-IZZDOVSWSA-N 338.621 5.720 50 40 EKGB COc1cc(C(=O)[C@@H](Cl)c2ccccc2)c(Cl)cc1Cl 575361470 HYXOPMXUGQCROE-AWEZNQCLSA-N 329.610 5.165 50 40 EKGB BrCC/C=C1\c2ccccc2CSc2sccc21 100713813 NDOCHTIILKMIEI-AWNIVKPZSA-N 337.307 5.571 50 40 EKGB CCCCCCCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1 100171875 GJZJMISWPYLVCE-HEHNFIMWSA-N 347.458 5.826 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C)n2)cc1 4815305 PAJUKOSLISUHOB-AQTBWJFISA-N 345.471 5.658 50 40 EKGB O=C(CCCCCl)c1ccc(Br)cc1C(F)(F)F 575362526 UEAVNERJBKGPGS-UHFFFAOYSA-N 343.570 5.060 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc3ccccc3c2)cc1C 6627695 YBTXCQTUIXMCHX-KQWNVCNZSA-N 348.449 6.312 50 40 EKGB ClCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127370 DIUAYCQWDCDPHS-UHFFFAOYSA-N 347.028 6.194 50 40 EKGB CCN(CC)c1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1 408599334 SQKBYJWANYFBCA-GHRIWEEISA-N 348.475 5.066 50 40 EKGB Cc1ccc(S[C@@H](C)C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 4699628 QNYXLFZHMZOLFO-VYRBHSGPSA-N 346.540 5.184 50 40 EKGB O=C(CCCc1ccccc1)NN=C1CCCCCCCCCCC1 4834007 QHYVJLUANFALOJ-UHFFFAOYSA-N 342.527 5.786 50 40 EKGB CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408600230 ALLYDNUVMFWNHD-AMRJIULGSA-N 348.446 5.026 50 40 EKGB N#CSc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1SC#N 100858600 HYALBCCVBXVEDY-UHFFFAOYSA-N 333.441 5.495 50 40 EKGB CCCCCCCCCCCCCCCC(=O)NNC(=O)OCC 104046415 ORKKCJHRSAJZTM-UHFFFAOYSA-N 342.524 5.245 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1C 74358 LTQAUSUDROEXQF-CPNJWEJPSA-N 326.399 5.002 50 40 EKGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccc2ccccc2c1 408553391 YNUMODINLKEVNW-BKUYFWCQSA-N 342.417 5.643 50 40 EKGB O=C(NN=C1CCCCCCCCCCC1)c1ccccc1Cl 4646653 MJFCEWPCLANJAN-UHFFFAOYSA-N 334.891 5.731 50 40 EKGB CCOc1ccc(Br)cc1/C=C(/C#N)c1ccccc1F 6351468 UOCNHZZWCGQMNR-LCYFTJDESA-N 346.199 5.051 50 40 EKGB CCCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1 408529513 HPBJLFQWTOQAQZ-LFIBNONCSA-N 346.257 6.236 50 40 EKGB COc1ccc(/C(Cl)=C(/C=O)c2ccc(Cl)c(Cl)c2)cc1 17189457 RZUPFVYISCIGQZ-DTQAZKPQSA-N 341.621 5.308 50 40 EKGB CC(=O)N(Nc1ccccc1N=Nc1ccccc1)c1ccccc1 245239843 MPSDZCCLHKLCNR-UHFFFAOYSA-N 330.391 5.482 50 40 EKGB CC(C)(C)[Si](C)(C)OCCC(N)CCO[Si](C)(C)C(C)(C)C 306145200 IGWAUDFGXKIFMU-UHFFFAOYSA-N 347.692 5.138 50 40 EKGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 408757079 WNKHIMSYMIOFPJ-GZTJUZNOSA-N 332.790 5.039 50 40 EKGB CC(C)c1ccc(CN(CCCl)Cc2ccc(C(C)C)cc2)cc1 95811168 ZRTFBVDSYCBLAH-UHFFFAOYSA-N 343.942 6.174 50 40 EKGB O=C(Nc1ccc(Cl)cc1)NN(c1ccccc1)c1ccccc1 6864313 NAESLOGFPLFECX-UHFFFAOYSA-N 337.810 5.215 50 40 EKGB CCCCCCCCCCNCCSSc1ccccc1 104222486 UYOJFHLZPSUKPN-UHFFFAOYSA-N 325.587 6.157 50 40 EKGB Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2ccc(Cl)cc2)cc1 2557537 ZPSOJYIHDNRGTI-ODLFYWEKSA-N 336.847 5.755 50 40 EKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1 6956899 JVMZCBVVDWHSGC-NTEUORMPSA-N 345.229 5.101 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1cccc(Cl)c1 408599471 VJYDLDBQUCXAHU-WJDWOHSUSA-N 349.773 5.362 50 40 EKGB Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 408983976 OZPSSPAUZXLXRJ-SXGWCWSVSA-N 338.838 5.119 50 40 EKGB CCCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1Cl 97965590 PEDQOPGGUMXFTA-DEDYPNTBSA-N 343.298 5.584 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccccn1 107725544 QJQIXIFPDPQKCP-HAHDFKILSA-N 349.437 5.707 50 40 EKGB C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NN(c1ccccc1)c1ccccc1)C2 351763 HVWBUTCMBXEGFB-WZONZLPQSA-N 346.474 5.238 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc(C2CC2)cs1 4853302 XGRVKAXEGDQRJD-UNOMPAQXSA-N 328.440 5.752 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 409359745 BVDLKNDKQVMTAE-MOSHPQCFSA-N 345.829 5.983 50 40 EKGB COc1ccc(-c2ccc(/C=C(\C#N)c3ccc(Cl)cc3)o2)cc1 264233 VEEATAZPGZWNOB-FOWTUZBSSA-N 335.790 5.673 50 40 EKGB CC(C)(C)c1ccc(/C=C(\C#N)c2nc(-c3ccco3)cs2)cc1 4291977 AYKYGBDMEUXVET-RVDMUPIBSA-N 334.444 5.765 50 40 EKGB Cc1cc(C)c(COc2ccc(F)cc2Cl)cc1C=C(C#N)C#N 135431 CQWSQGKLFYOTJT-UHFFFAOYSA-N 340.785 5.106 50 40 EKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccccc2F)c1C 6547444 AWBMZAUCAPMGTE-MOSHPQCFSA-N 344.433 5.914 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)nc1 6614091 TYAFHQZKNMGDDV-WQRHYEAKSA-N 331.394 5.001 50 40 EKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccccc3F)o2)cc1 107681398 RENHBAYVVVDGIJ-QINSGFPZSA-N 335.403 5.943 50 40 EKGB N#C/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 33784272 FIKPMWKMIRDEMM-OWOJBTEDSA-N 338.621 5.763 50 40 EKGB O=C(O)CCCCCCCCCCCC[C@@H](F)CBr 98174862 LLNNDRIUZRRTDB-CQSZACIVSA-N 339.289 5.485 50 40 EKGB CC1=CC(c2ccccc2)=C(C#N)C(=S)[C@H]1CC(=O)c1cccs1 125719 XKOVCJNZZHGPAI-HNNXBMFYSA-N 349.480 5.244 50 40 EKGB CC(C)c1ccc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1 100082698 SRHZXAPBZZALBM-AQTBWJFISA-N 345.471 5.910 50 40 EKGB O=C(NN=C1CCCCC1)c1ccc(CSc2ccccc2)cc1 233798 BHKOEFZYFDNEDU-UHFFFAOYSA-N 338.476 5.029 50 40 EKGB O=C(Cl)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 41127157 FXCZZEAXTDGBAQ-UHFFFAOYSA-N 340.593 5.110 50 40 EKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1 408582385 NNJOLJNRGAONNY-RCCKNPSSSA-N 341.410 5.338 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc2ccccc2c1 33747424 RWNXPZQYMZYEEX-ZHZULCJRSA-N 339.369 6.303 50 40 EKGB Cc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 4313653 YCROLBIIERACKL-LFIBNONCSA-N 347.399 5.091 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)cc3)n2)cc1 13765866 KKGPTGISRAJBFK-AQTBWJFISA-N 345.471 5.658 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(F)cc1 409394362 ZKKVNACJSXWDNE-WQRHYEAKSA-N 334.369 5.437 50 40 EKGB N#C/C(=C\c1ccccc1F)c1nc2cc(C(F)(F)F)ccc2s1 12764504 LTBODNCWTLLAKK-YRNVUSSQSA-N 348.324 5.518 50 40 EKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1ccc(C(=O)O)cc1 33667796 YWHCLVQGYJVIJU-VBKFSLOCSA-N 347.395 5.193 50 40 EKGB N#C/C(=C\Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 100840146 YGYJYHPPUMXCBI-SDNWHVSQSA-N 337.835 5.440 50 40 EKGB COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1 33626770 OJIYBWLFDLTHNV-WOJGMQOQSA-N 346.455 5.500 50 40 EKGB O=C/C(=C\Nc1cccc2ccccc12)c1nc2cc(Cl)ccc2o1 16544875 ZZYXJDAGOCHKPQ-SDNWHVSQSA-N 348.789 5.286 50 40 EKGB CCCCCCCC(=O)NN(Cc1ccccc1)Cc1ccccc1 97995598 RIXWJRBFGYTEQB-UHFFFAOYSA-N 338.495 5.081 50 40 EKGB N#CC1=C(N)OC2=C(CCC/C2=C/c2ccccc2)[C@H]1c1ccccc1 48913 NFPMGUPGOPWSQV-JOIYNNFJSA-N 340.426 5.016 50 40 EKGB CCCCOc1ccccc1/C=C(/C#N)c1nc2ccccc2s1 11990320 MYOQBBOYEYDHGK-SSZFMOIBSA-N 334.444 5.539 50 40 EKGB CN(C)c1ccc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cc1 12523123 AMRSWVSMOXACMK-UKTHLTGXSA-N 339.851 5.080 50 40 EKGB Cc1csc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)s2)n1 14177932 OJUZFWNIFJIEIY-MDWZMJQESA-N 326.421 5.383 50 40 EKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1 39884445 ZYUFWPLRDBYLBD-NBVRZTHBSA-N 342.398 5.055 50 40 EKGB O=C(Cl)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 218721315 PQXJWNXFLMJSPX-UHFFFAOYSA-N 333.573 5.091 50 40 EKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC 560182 UZKGBKPODJVNES-CXUHLZMHSA-N 327.811 5.120 50 40 EKGB CC1=C(C)SC(=C(C#N)c2nc(-c3ccccc3)cs2)S1 3176502 JJMFBIFETBHHAV-UHFFFAOYSA-N 328.487 5.734 50 40 EKGB C#CCOc1cccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1 408588309 VNUFVGFMEHYCCR-DHDCSXOGSA-N 328.198 5.070 50 40 EKGB CC(C)(C)SSC(=S)C(c1ccccc1)c1ccccc1 1574740 CDVQYVCNZPCITB-UHFFFAOYSA-N 332.559 6.326 50 40 EKGB CCCCCCCCCCCCCCCCSS(=O)(=O)O 104264055 NTABVWANVDZNCL-UHFFFAOYSA-N 338.579 6.004 50 40 EKGB O=C([C@H](Cl)c1ccccc1)N1c2ccccc2CCc2ccccc21 193925 CHIQMAZRNRMOSD-OAQYLSRUSA-N 347.845 5.430 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(F)c1 409393104 OZFPFCVMFLFNGQ-RVDMUPIBSA-N 334.306 5.058 50 40 EKGB O[C@H](CCl)c1ccc2ccc3c(c2c1)Nc1ccccc1S3 2028635 TZYCHILHXXTUTB-OAHLLOKOSA-N 327.836 5.320 50 40 EKGB C[C@@H]1CCC/C(=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 67191236 HVLIURVQVZZHHV-HRZQKCLFSA-N 328.868 5.951 50 40 EKGB CCCCCC/C=N/NC(=O)c1sc2cc(C)ccc2c1Cl 97965353 YEXLKUBUASWASV-VXLYETTFSA-N 336.888 5.549 50 40 EKGB Cc1cccc(-n2cccc2/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c1 107612125 TVGZLFPOHFCPEI-LGMDPLHJSA-N 338.414 5.035 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C)n2)cc1 100159743 PAJUKOSLISUHOB-QGOAFFKASA-N 345.471 5.658 50 40 EKGB CC1=CC(C)(C)N(C(=O)[C@H](Cl)c2ccccc2)c2cc(C)ccc21 540625 BKKBOZYPFQOIQR-LJQANCHMSA-N 339.866 5.504 50 40 EKGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc(C2CCCCC2)cc1 4499090 WTWHUTQOAFMBLT-HKOYGPOVSA-N 348.490 5.207 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)n2)cc1 4491823 PKJHLAVCIQMFEW-CXUHLZMHSA-N 347.399 5.091 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(F)c3)n2)c(C)c1 501733 IKGAMEZQPNONRK-RVDMUPIBSA-N 349.434 5.543 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)cc1 249164 BMXRMGKDKSSSLD-QGOAFFKASA-N 342.398 5.109 50 40 EKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1Cl 408579891 LCWINWJJOFDDHS-CXUHLZMHSA-N 344.241 5.931 50 40 EKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1 408583701 WSSACGNYZNDENT-RCCKNPSSSA-N 341.410 5.338 50 40 EKGB N#C/C(=C/c1ccccc1)C(=O)Oc1ccc(Cl)c2ccccc12 3265341 YYSLRNAVOARHCX-QINSGFPZSA-N 333.774 5.006 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C)n2)c(C)c1 6472893 SUUFOTCJMKCJTI-WQRHYEAKSA-N 330.456 5.800 50 40 EKGB CC1(C)C[C@H]2C[C@@](C)(CN2C2=CC3=CC(=C(C#N)C#N)CC[C@H]3CC2)C1 102350485 WFFSHGFTJBZAJL-JFJYTDJESA-N 347.506 5.245 50 40 EKGB CC(C)n1cc(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc21 408550025 CSHLXEXLEDGEDN-STZFKDTASA-N 336.438 6.440 50 40 EKGB N#C/C(=C/c1cccn1-c1ccccc1F)c1ccc2ccccc2c1 408551663 OYPJPUORHGWOPM-HKWRFOASSA-N 338.385 5.834 50 40 EKGB CCOc1ccc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1 4793859 KAOQKBJTUBYZDB-GXDHUFHOSA-N 338.457 5.334 50 40 EKGB N#C/C(=C\c1ccccc1Sc1ccccc1)c1ccccc1F 33408092 HQUQSGSTIRWNTD-SAPNQHFASA-N 331.415 6.041 50 40 EKGB O=C(N[C@H]1CC/C=C(\c2ccccc2)C[C@@H](Cl)C1)c1ccccc1 104098613 OLZQLUTXISDFGC-IYTJAOGTSA-N 339.866 5.050 50 40 EKGB COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(OC)c1 408579383 GPQGRDKAZDLYHA-KPKJPENVSA-N 334.202 5.075 50 40 EKGB N#C/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 6861746 DHWLUCIGXIWXPS-OWOJBTEDSA-N 338.621 5.763 50 40 EKGB Cc1ccsc1/C=C(C#N)\C(O)=N\c1c(Cl)cccc1Cl 33414097 ZKEQBAQVJNRIIM-YFHOEESVSA-N 337.231 5.559 50 40 EKGB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](Br)CC[C@]3(C)[C@H]1CC2 118915148 BJTCHUWBZZQPHW-PHFHYRSDSA-N 339.361 6.183 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 101447 GITDDPMLXONCSF-PTNGSMBKSA-N 340.209 6.318 50 40 EKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OC 408579053 CSPQJLQMWOBRPB-MDWZMJQESA-N 348.229 5.465 50 40 EKGB CC(C)(CCl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575361243 VHYIMQNVYLOGGT-UHFFFAOYSA-N 332.671 5.172 50 40 EKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1 4676315 LELBPOSUNAZXBN-CAPFRKAQSA-N 333.431 5.436 50 40 EKGB O=C(CCl)N1c2ccccc2Sc2ccc3ccccc3c21 1558828 PYOAVKHMCCKUIE-UHFFFAOYSA-N 325.820 5.208 50 40 EKGB CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc1 4209288 LMSPDJWGBKBPST-BKUYFWCQSA-N 340.426 5.509 50 40 EKGB Cc1cccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 34792751 KGCKAJPDGCMKET-MHWRWJLKSA-N 347.399 5.091 50 40 EKGB CC/C(=N/NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 372728 RINQVLQACPVRGQ-PYCFMQQDSA-N 344.886 5.052 50 40 EKGB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Cl)c1ccccc1 3226836 RZBPCVWWCYSNQO-ZDUSSCGKSA-N 348.151 5.277 50 40 EKGB N#CSc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3624497 KHRMERYAUUFNPF-UHFFFAOYSA-N 338.219 5.211 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Cl)n2)cc1 15357000 DDPDAKOMTQKLJK-YBEGLDIGSA-N 336.847 5.836 50 40 EKGB BrCc1cccc(-c2nc(-c3ccccc3)cs2)c1 72284126 KNMJOZLIYUOIFK-UHFFFAOYSA-N 330.250 5.372 50 40 EKGB O=C(Nc1ccccc1C(F)(F)F)[C@H](Cl)c1ccccc1Cl 162808 HPODJEIVMKBXIG-CYBMUJFWSA-N 348.151 5.277 50 40 EKGB Cc1cc2nc(/C(C#N)=C\c3ccc(C(F)(F)F)cc3)[nH]c2cc1C 169960587 QYDIZRVOXVKIPQ-ZROIWOOFSA-N 341.336 5.263 50 40 EKGB C[C@@H]1[C@@H](Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104342817 XQUNRGCTVRBIIY-HJCOGTMBSA-N 349.299 5.075 50 40 EKGB CCCCC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccccc1 4550245 KMLZSVYSZFOHNB-UZYVYHOESA-N 328.843 5.054 50 40 EKGB N#C/C(=C/c1ccco1)c1nc(-c2ccc(Cl)cc2Cl)cs1 4825047 XAXJUOOEPRHAQL-POHAHGRESA-N 347.226 5.774 50 40 EKGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(C)c1 143414 WOBQWPCFGGQOOH-UDWIEESQSA-N 332.447 5.281 50 40 EKGB N#C/C(=C/c1cccc(Cl)c1)c1nc(-c2ccc(F)cc2)cs1 4174954 NQPPJVGNQPTYKM-ZSOIEALJSA-N 340.810 5.667 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)cc1C 6405075 CYUKMGWAZUPOIC-AQTBWJFISA-N 332.447 5.147 50 40 EKGB CCCCOc1ccc(Cl)c2sc(C(=O)Cl)c(Cl)c12 72209076 YSBSMKSGNBLNCA-UHFFFAOYSA-N 337.655 5.766 50 40 EKGB O=C(c1ccc(C(F)(F)F)c(Cl)c1)[C@H](Cl)c1ccccc1 575360338 DBJPYIZPLCDHQA-CYBMUJFWSA-N 333.136 5.522 50 40 EKGB CCn1c2ccccc2c2cc(/C=C(\C#N)c3nc(C)cs3)ccc21 8079586 NPQDIKXIOHKZBQ-MHWRWJLKSA-N 343.455 5.644 50 40 EKGB CC(C)[Si](OCc1ccc(C(F)(F)F)cc1)(C(C)C)C(C)C 219798594 WBVLBYWXZPSDGB-UHFFFAOYSA-N 332.482 6.398 50 40 EKGB C#CCn1c(C)c(/C=C(\C#N)c2cccc(Cl)c2)c2ccccc21 408598588 FCILYAZIJLEOLQ-GHRIWEEISA-N 330.818 5.301 50 40 EKGB Cc1c2ccccc2c(/C=N/NC(=O)c2cccs2)c2ccccc12 408884092 SORNTEWCLRDFMG-LPYMAVHISA-N 344.439 5.127 50 40 EKGB N#C/C(=C/c1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 408961925 VPKCTPTXSZWKHT-ATVHPVEESA-N 342.364 5.370 50 40 EKGB CC(C)CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 44932790 RPGPXAULQCIDDC-PTNGSMBKSA-N 343.810 5.096 50 40 EKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)c2ccccc2)c1C 408853575 PTMGXYQNABSPGT-HZHRSRAPSA-N 340.470 6.029 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1F 33667867 BHPZEGYOVLIXGT-PDGQHHTCSA-N 347.364 5.608 50 40 EKGB COc1cccc(-c2csc(/C(C#N)=C/c3cccc(C)c3)n2)c1 34697305 IBSQCIAHGPAXAH-LICLKQGHSA-N 332.428 5.191 50 40 EKGB CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1 104113450 DFRFFONNFFKQIT-SFHVURJKSA-N 338.476 5.442 50 40 EKGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1cccc(Cl)c1 6571358 BTILOOQHVGCITP-YVLHZVERSA-N 340.829 5.452 50 40 EKGB CN1P(Cl)(Cl)(Cl)N(C)P1(Cl)(Cl)Cl 100072318 WPSHNNIFJFJTQU-UHFFFAOYSA-N 332.750 5.553 50 40 EKGB C#CCn1cc(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc21 408548358 GVXXDAYTOBZJTL-QNGOZBTKSA-N 332.406 5.492 50 40 EKGB CCCCCCCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 3092297 NEKRLLBOYBXQRM-JJIBRWJFSA-N 346.474 5.804 50 40 EKGB O=C(/C=C\c1ccc(Cl)cc1)C[C@@H](Cl)c1ccc(Cl)cc1 17314055 YFVNMRBLFHZOEY-TYIWRNDTSA-N 339.649 5.946 50 40 EKGB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)CCl)c3ccccc32)cc1 2739856 HKCKZBSPJCWXKK-NRFANRHFSA-N 341.882 5.055 50 40 EKGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1ccc(C)cc1Cl 9190613 WSNHFWGFFQGLNO-JWHHATSKSA-N 338.838 5.024 50 40 EKGB C[C@@H](Br)C(=O)c1ccc2cc(Cl)c3ccccc3c2c1 17312217 ODZMPXHPIHJILM-SNVBAGLBSA-N 347.639 5.613 50 40 EKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)c1C 409008594 YKQHVBLPEZVKJX-QGOAFFKASA-N 342.398 5.109 50 40 EKGB CCCCCc1ccc(C(=O)CCCCCBr)cc1 575359190 YFEUYWZVWWAJOA-UHFFFAOYSA-N 325.290 5.557 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 295196 QTUUVUAGIQTCSS-CPNJWEJPSA-N 332.834 5.812 50 40 EKGB CC[C@@H](C)Oc1ccccc1/C=C(/C#N)c1cccc2ccccc12 6355888 JAXCIJYLYLHNID-MNTXUITRSA-N 327.427 6.081 50 40 EKGB N#C/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 6513066 QOOXKGVZACWCAL-OWOJBTEDSA-N 331.215 5.521 50 40 EKGB O=C(CCl)N(CC1CCCCCC1)c1cccc2c(O)cccc12 199757029 CZIDGHOKEMVLKO-UHFFFAOYSA-N 345.870 5.088 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc2ccccc2c1 408549967 CGHPGEVNBFVDSV-STZFKDTASA-N 346.389 6.036 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2F)s1)c1nc2ccccc2[nH]1 12778779 ZLHAPDNTDPQQRO-ACCUITESSA-N 345.402 5.495 50 40 EKGB CN(c1ccc(/C=C\c2ccccc2)cc1)P(=O)(Cl)Cl 104191380 XKRWQTUWHMAIIC-FPLPWBNLSA-N 326.163 5.879 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 408741936 SVDVCTJJHGFGQL-RCCKNPSSSA-N 341.458 5.224 50 40 EKGB Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)s1 13027804 QOAJTGPMNHYEAC-MDWZMJQESA-N 342.876 5.898 50 40 EKGB N#C/C(=C\c1ccccc1Br)c1nc2ccccc2s1 5129936 ALLCWSCHAWJJMQ-FMIVXFBMSA-N 341.233 5.123 50 40 EKGB Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c1 100132659 SOMJPAXGBVJWAR-LFIBNONCSA-N 349.434 5.543 50 40 EKGB COc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1OC(C)C 409021252 ZNWGUPNSBJOEMI-YBEGLDIGSA-N 327.811 5.200 50 40 EKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC 6439494 SENNLRCVAZUKCG-ZROIWOOFSA-N 345.801 5.341 50 40 EKGB CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1 38141456 GWQOYRSARAWVTC-UHFFFAOYSA-N 338.488 5.650 50 40 EKGB CCCCCCCCCCOC(=O)/C(C#N)=C\c1ccc(OC)cc1 100711009 CBNHZNOXGLICIZ-MNDPQUGUSA-N 343.467 5.286 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(\C#N)c1cccc(Cl)c1 408598556 DHDUHBLJUIYQHN-GHRIWEEISA-N 333.818 5.956 50 40 EKGB Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1 2283017 MHDKPBWXSBBUNR-SFQUDFHCSA-N 331.444 5.404 50 40 EKGB CSc1ccc(Cl)c(C(=O)Nc2ccc(SC#N)cc2C)c1 340334 MRGJXWYFMIOLNQ-UHFFFAOYSA-N 348.880 5.196 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 1115513 KIJFHYIAHRWDCD-MPMPPSQCSA-N 341.838 5.590 50 40 EKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc2ccccc12 7210388 YFISJPPEJBVCMF-GZTJUZNOSA-N 346.817 5.347 50 40 EKGB CC(=O)N(Nc1ccccc1/N=N/c1ccccc1)c1ccccc1 13402467 MPSDZCCLHKLCNR-QURGRASLSA-N 330.391 5.482 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccccn1 409228948 HOALNLFVKUVUQT-WQRHYEAKSA-N 333.822 5.207 50 40 EKGB O=C(CCCCBr)c1ccc(-c2ccccc2)c(F)c1 575357552 LTYKUWHDPMAKOM-UHFFFAOYSA-N 335.216 5.241 50 40 EKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1 5214354 GKCCZPPQHJXAGW-NTCAYCPXSA-N 348.789 5.146 50 40 EKGB ClCCN(CCCl)[C@H](c1ccccc1)c1ccc(Cl)cc1 6582148 JBOWLWDJJDXHGW-QGZVFWFLSA-N 342.697 5.209 50 40 EKGB COc1cc(Cl)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 408551185 MAYFYQJXBGPELE-ZDLGFXPLSA-N 349.817 5.575 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 264076 FISZXBFSEJLNMR-XDHOZWIPSA-N 343.386 5.067 50 40 EKGB CC(C)N(C(C)C)[P@@](=O)(C(Cl)Cl)C(Cl)(Cl)Cl 3227325 SUJQXTPFIMFDQO-MRXNPFEDSA-N 349.453 5.472 50 40 EKGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2ccc(Cl)cc2)cc1 4106651 WHIWCLFNGTWIAZ-VKAVYKQESA-N 347.849 5.261 50 40 EKGB N#C/C(=C/c1cccnc1)c1nc(-c2cc3ccccc3o2)cs1 89873077 JSUHUMPYHHSBER-NVNXTCNLSA-N 329.384 5.015 50 40 EKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1 409361543 HOPGPAMHHJDSGU-ZHZULCJRSA-N 345.829 5.983 50 40 EKGB COc1ccc(C2=C/C(=C/C(=O)c3ccccc3)SS2)cc1 382855 QZVCHLMJOAYCLQ-WJDWOHSUSA-N 326.442 5.198 50 40 EKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(F)c1 1060201 NTQJOQHUBKLSTJ-RVDMUPIBSA-N 334.306 5.058 50 40 EKGB O=C(c1ccc(Br)cc1Cl)[C@H](Cl)c1ccccc1 126991443 MONAISIEBPREGJ-CYBMUJFWSA-N 344.035 5.265 50 40 EKGB Cc1ccc(-c2ccc(C(=C(C#N)C#N)c3ccccc3)s2)cc1 16311138 RQEIGLDXUKLXEZ-UHFFFAOYSA-N 326.424 5.573 50 40 EKGB CCCCOc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1 6323250 VLMMZMGMZIRXSY-CAPFRKAQSA-N 327.427 6.083 50 40 EKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 108976598 YORSYPWLLJAQSC-QINSGFPZSA-N 349.777 5.103 50 40 EKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccccc2)o1 409364199 NMUGERBXVRPULY-WJDWOHSUSA-N 330.343 5.227 50 40 EKGB O=C(/C=C/c1ccc(Cl)cc1)C[C@H](Cl)c1ccc(Cl)cc1 1685465 YFVNMRBLFHZOEY-QYSIDVQXSA-N 339.649 5.946 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)cc1C 6390955 HTJISMGTCVTRPJ-MOSHPQCFSA-N 344.433 5.914 50 40 EKGB Cl[C@H]1[C@@H]2c3ccccc3[C@H](c3cc4c(cc32)CCCC4)[C@H]1Cl 104160543 UUEJWUWHXSLEPQ-WTGUMLROSA-N 329.270 5.371 50 40 EKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 206276328 SSUWQDYGSKTWJS-RGEXLXHISA-N 348.446 5.028 50 40 EKGB Cc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12 5620158 QJGTWCVKHORIEB-BUVRLJJBSA-N 338.410 5.065 50 40 EKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1F 615216 PYHULCVJDHSTRG-SDNWHVSQSA-N 334.306 5.058 50 40 EKGB N#C/C(=C\c1c(-c2ccccc2)nc2sccn12)c1ccccc1 4002968 RVEYKKVANYXMBM-GHRIWEEISA-N 327.412 5.127 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 4812961 GAEAPPLTNUXPCJ-SDNWHVSQSA-N 329.334 5.026 50 40 EKGB CCCCCCCCCCCC[S@](=O)C[C@@H](Cl)CCl 100245947 JIDSQDYITUKUPT-HNAYVOBHSA-N 329.377 5.502 50 40 EKGB COc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1 620083 FVFZGOMWRKUXEM-MDWZMJQESA-N 348.627 5.175 50 40 EKGB COc1cccc(-c2csc(/C(C#N)=C\c3cccc(C)c3)n2)c1 4174888 IBSQCIAHGPAXAH-YVLHZVERSA-N 332.428 5.191 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3)n2)cc1C 100840150 VUMJGPZMYNLNHL-SFQUDFHCSA-N 331.444 5.404 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)cc1 4738971 DBWPZKNPUDISQT-MOSHPQCFSA-N 346.861 6.120 50 40 EKGB Fc1cccc(-c2nc(CCl)nc3sc4c(c23)CCCC4)c1 12821438 MTAKYMJYFFCFBA-UHFFFAOYSA-N 332.831 5.115 50 40 EKGB O=C(CCc1ccccc1)NN=C1CCCCCCCCCCC1 5872071 YDMZAHGOTJUVEF-UHFFFAOYSA-N 328.500 5.396 50 40 EKGB CCCCCCCC[C@@H](I)CC(F)(F)F 103528168 AKJFFAAAOIDZQB-SNVBAGLBSA-N 336.179 5.493 50 40 EKGB O=CC1=C(c2ccccc2)OC(c2ccccc2)=C[C@H]1c1ccccc1 3185627 DWIKATDJQRTUPP-NRFANRHFSA-N 338.406 5.452 50 40 EKGB O=C(O)CCCCCCCCCCCCCC[C@H](Cl)CCl 95708037 ITMRXTONPIMQLR-INIZCTEOSA-N 339.347 6.379 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1C(C)(C)C 408549924 BQOUHMGYRJCOAO-HMAPJEAMSA-N 328.459 6.077 50 40 EKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)c1C 409389239 AQAXSQYVOCGTAG-MTJSOVHGSA-N 344.433 5.914 50 40 EKGB O=C(CCCCBr)c1ccc(SC(F)(F)F)cc1 575361036 OSQGUFOZBQDNJV-UHFFFAOYSA-N 341.192 5.046 50 40 EKGB CC(C)(C)OC(=O)NCCCCCCCCCCBr 6761759 OUQOWAUUYVRAFN-UHFFFAOYSA-N 336.314 5.027 50 40 EKGB in-vitro O=C(CCCCCBr)c1cc(Cl)cc(F)c1Cl 575360539 JNJHMDQGNGGGLO-UHFFFAOYSA-N 342.035 5.271 50 40 EKGB CC(C)N(C(C)C)[P@@](=O)(C(Cl)Cl)C(C)(Cl)Cl 4949204 VYOXJKZVMXGLOS-MRXNPFEDSA-N 329.035 5.296 50 40 EKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 16779065 CJUAHGISAWPGPT-LTGZKZEYSA-N 347.421 5.603 50 40 EKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 85397232 FXOFEKFNGXGADX-XBXARRHUSA-N 341.621 5.351 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C)n2)cc1 6879310 JFZWIODBDGWANT-BOPFTXTBSA-N 332.428 5.191 50 40 EKGB N#C/C(=C/c1cccc(Br)c1)c1nc2ccccc2s1 33924445 SDBCWWJQCAQXGD-WQLSENKSSA-N 341.233 5.123 50 40 EKGB C[C@H](SCc1ccccc1)C(=O)NN=C1CCC(C(C)(C)C)CC1 408838142 RUAUACGJIOSVHO-MYJWUSKBSA-N 346.540 5.017 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 13601405 QTUUVUAGIQTCSS-UYRXBGFRSA-N 332.834 5.812 50 40 EKGB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Cl)c1ccccc1 3226837 RZBPCVWWCYSNQO-CYBMUJFWSA-N 348.151 5.277 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3)n2)cc1 4538540 JIKNUKHKWUBWJJ-YBEGLDIGSA-N 336.847 5.836 50 40 EKGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1 4649147 PNMVCWMTEGIJRG-LJQANCHMSA-N 346.817 5.020 50 40 EKGB N#C/C(=C\Nc1ccc(Cl)cc1Cl)c1nc2ccccc2o1 5605046 QFPBASKGBGVUIH-MDZDMXLPSA-N 330.174 5.111 50 40 EKGB N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1cccc2ccccc12 6496558 JYOIOMUWTDIZFO-RIYZIHGNSA-N 340.209 5.916 50 40 EKGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C 80925980 OIDXWRLKJLJKRZ-QYYVTAPASA-N 334.931 5.762 50 40 EKGB ClC[C@@H](Cl)CCCCCCCCCC[C@H](Cl)CCl 100134282 RUUXQUXRZDFJEA-KBPBESRZSA-N 336.174 6.580 50 40 EKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(C)s1 4119419 OGTPPSGYWKOWEV-VCHYOVAHSA-N 348.880 5.079 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 409018293 KOSMSWPXHDUHPW-BOPFTXTBSA-N 330.774 5.536 50 40 EKGB N#C/C(=C\c1ccccc1OCc1ccccc1)c1ccccc1F 615222 DCQKYGUEQQFXAK-XMHGGMMESA-N 329.374 5.469 50 40 EKGB CC(C)CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 5214609 DMEGXXVGZBMEJC-SDNWHVSQSA-N 343.810 5.096 50 40 EKGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccccc2F)cc1Cl 107951558 FOQNLKDIPUKSFV-JYRVWZFOSA-N 346.188 5.209 50 40 EKGB CCN(CC)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408579747 JXUYMSNQPAHQGI-RVDMUPIBSA-N 345.273 5.904 50 40 EKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1 560281 GJLACSKPCYHBSL-KGENOOAVSA-N 343.401 5.777 50 40 EKGB CC(C)=CC[P+](c1ccsc1)(c1ccsc1)c1cccs1 98174833 CDWYVBDUWVXQOM-UHFFFAOYSA-N 349.506 5.131 50 40 EKGB N#C/C(=C/c1c[nH]c2ccc(Br)cc12)c1ccccc1F 108127015 RTDLBYCWLQDNAE-XFFZJAGNSA-N 341.183 5.134 50 40 EKGB Cc1cc2nc(/C(C#N)=C/c3ccc(Cl)cc3Cl)[nH]c2cc1C 408542138 GZHSPOIHYIKGEQ-NTUHNPAUSA-N 342.229 5.551 50 40 EKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc2ccccc12 408887481 OTLLCGMRMVSQFW-SFQUDFHCSA-N 346.817 5.347 50 40 EKGB O=C(CCCCBr)c1ccc(Cl)cc1C(F)(F)F 575360836 JGGGLWCIGWFWFM-UHFFFAOYSA-N 343.570 5.107 50 40 EKGB C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc(C(C)(C)C)cc1 13842667 BTVDXENKZJSLIX-HYARGMPZSA-N 342.870 5.100 50 40 EKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3ccccc3F)cc2)c1 107606420 UAKCROBRCBNWMJ-ZHZULCJRSA-N 343.401 5.777 50 40 EKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1ccc(Cl)cc1 408755621 OWYNQHZERBDXJI-QINSGFPZSA-N 337.831 6.148 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1cccnc1 408781579 UOMAUPABQMMFFN-WQRHYEAKSA-N 333.822 5.207 50 40 EKGB C[C@@H]1CCc2nc(/C(C#N)=C/c3ccc(Cl)cc3Cl)sc2C1 5447171 JMNAWIFZAZDKDD-CEXMDJMXSA-N 349.286 5.639 50 40 EKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccc(C#N)cc1 528626 JCMUIPSAIDKKOJ-GZTJUZNOSA-N 330.774 5.536 50 40 EKGB COc1cc(C)c(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc1C(C)C 615250 XIWUDWSAZWEUJH-RQZCQDPDSA-N 336.391 5.099 50 40 EKGB Cc1csc(/C(C#N)=C/c2ccc(-c3nc4ccccc4s3)o2)n1 8207477 GGCVKLAFRJDCDK-XYOKQWHBSA-N 349.440 5.385 50 40 EKGB Cl[C@H]1[C@@H]2c3ccccc3[C@@H](c3cc4c(cc32)CCCC4)[C@H]1Cl 104160545 UUEJWUWHXSLEPQ-JVSBHGNQSA-N 329.270 5.371 50 40 EKGB O=C(Cl)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl 20154436 RZKDLXXSUYYOKA-UHFFFAOYSA-N 326.566 5.181 50 40 EKGB O=C(CCCCCBr)c1ccccc1-c1ccccc1 575357538 JOTFSCXPXUNDLW-UHFFFAOYSA-N 331.253 5.492 50 40 EKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3ccccc3)c2C)c1 4738969 JJIRJFMYQLKBHT-HMAPJEAMSA-N 326.443 5.775 50 40 EKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2ccccc2F)o1 33613231 QGWOGWBNFYHBLF-PTNGSMBKSA-N 347.345 5.157 50 40 EKGB Clc1cc(-c2nc3ccccc3s2)ccc1CBr 41127192 FGLZCSCLZVMDOY-UHFFFAOYSA-N 338.657 5.512 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)c(C)c1 59475003 VMPFRWNTEINXLT-ZSOIEALJSA-N 345.229 5.156 50 40 EKGB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCBr 71789720 CKJOMAVHOLGUBD-CGRWFSSPSA-N 339.361 7.137 50 40 EKGB in-vitro CCCCCCCCCCCCCCCCCCOC(=O)Cl 78914397 JQDURWGNZCVESS-UHFFFAOYSA-N 332.956 7.623 50 40 EKGB in-vitro CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 59336623 GUCYCIDJYSNAGZ-UVTDQMKNSA-N 345.229 5.101 50 40 EKGB N#C/C(=C/c1cccn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 408851202 WIMOWBZJHODVGR-SSZFMOIBSA-N 338.332 5.560 50 40 EKGB O=C(N/N=C/C=C/c1ccccc1)c1cc2c(ccc3ccccc32)o1 2159525 BYOYASAICAHUNR-SKRBABGKSA-N 340.382 5.015 50 40 EKGB CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3)n2)cc1 6481648 RFFQCRMKLOIXGI-XSFVSMFZSA-N 344.483 6.217 50 40 EKGB CCCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 169959668 MZJFGZRHEFDJQD-AQTBWJFISA-N 345.446 5.423 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1 108013628 TWEVXAFMVUNUAG-VVRYKASASA-N 327.427 6.081 50 40 EKGB CC(C)[Si](OCc1ccccc1C(F)(F)F)(C(C)C)C(C)C 219798683 SCVBILONZNTFEM-UHFFFAOYSA-N 332.482 6.398 50 40 EKGB CCCCC/C=C/C[C@@H](/C=C/C=C/C/C=C\CCCC(=O)O)OO 299888836 ZIOZYRSDNLNNNJ-XVYJMYMNSA-N 336.472 5.685 50 40 EKGB CCOc1ccccc1/C=C(\C#N)Sc1nc2ccccc2s1 17071036 ZVYMXMQXBYUDOW-SDNWHVSQSA-N 338.457 5.352 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)c1ccccc1F 33432611 QTRKQUOXSLOTRR-PDGQHHTCSA-N 347.364 5.608 50 40 EKGB CCCCC[C@@H](/C=C/C=C/C/C=C/C/C=C\CCCC(=O)O)OO 299888240 BFWYTORDSFIVKP-NISZLQOFSA-N 336.472 5.685 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 33284255 UDVRTTNBFCCHNR-VBKFSLOCSA-N 339.316 6.030 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1F 35088355 XEXWCSSDRZPQOT-AQTBWJFISA-N 347.364 5.608 50 40 EKGB CCOc1c(/C=C(/C#N)c2cccc3ccccc23)cccc1OC 6354828 ZTXBKFNQFLNIOC-JXAWBTAJSA-N 329.399 5.311 50 40 EKGB Cn1c(/C(C#N)=C/c2ccc(-c3cccc(F)c3)o2)nc2ccccc21 32624155 FBIUUBVLTRRUNC-NTCAYCPXSA-N 343.361 5.037 50 40 EKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC 408580285 NWVGCBJZEUUAJJ-SFQUDFHCSA-N 341.838 5.592 50 40 EKGB CC[C@H](Cl)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359089 PXNGYVBXDBGOLJ-NRFANRHFSA-N 349.861 6.357 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OCC 33405852 BBLKOMAZQWAXFB-WJDWOHSUSA-N 327.811 5.202 50 40 EKGB COc1cc(Cl)c(/C=C(\C#N)c2cccc(Cl)c2)cc1OC 408598549 CYRLQGSQGGIEQI-AWNIVKPZSA-N 334.202 5.075 50 40 EKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1ccc(C#N)cc1 582386 HOJBNYORSAKADF-DEDYPNTBSA-N 338.410 5.563 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1OC 6168459 UCGNLJKABGHHSP-HNDQUVLASA-N 325.383 5.076 50 40 EKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)c1C 6217519 XGRCPGVDBPSBGS-LCYFTJDESA-N 345.229 5.156 50 40 EKGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 33414361 BDDXWHSOVMWQHH-XFXZXTDPSA-N 330.334 5.379 50 40 EKGB CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccc(-c2ccccc2)cc1 1893846 QHSPEFSLEWFWAG-WKAVQYMISA-N 346.474 5.762 50 40 EKGB Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1 2277682 WOCAWIWPTWSWLK-ATVHPVEESA-N 331.444 5.404 50 40 EKGB N#CC1=C(/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 1225877 LBGOLTRASOYHLJ-KOEQRZSOSA-N 326.443 5.547 50 40 EKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 9263273 BULMCVQNYCIRAF-QINSGFPZSA-N 339.225 5.848 50 40 EKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 33247457 VUKUVPXFXORTAL-UVTDQMKNSA-N 340.209 6.318 50 40 EKGB CC[C@@H](C)n1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 409208823 CIQYUDWNFMENLE-UHVIJJLKSA-N 345.402 5.585 50 40 EKGB CCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 33400665 SOTJGGHTVAIJKQ-UDWIEESQSA-N 344.483 6.054 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3)n2)cc1 100716903 UTRKMRRLGRFFMZ-ATVHPVEESA-N 331.444 5.404 50 40 EKGB Fc1cccc(Cl)c1/C=C/c1ccc(CBr)cc1 2388211 VEZAAMCYMVBLFV-CMDGGOBGSA-N 325.608 5.544 50 40 EKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1 3286688 GFFBWGIIKAXVEP-XMHGGMMESA-N 348.446 5.028 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)c(C)c1 6255770 GEGQTNQBBNZRSE-MOSHPQCFSA-N 344.433 5.914 50 40 EKGB CCCCCCCCCCCCCCCC(=O)O[C@H](CO)CCl 72400271 NURTYQLWOUBFLF-SFHVURJKSA-N 348.955 5.611 50 40 EKGB in-vitro Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1 6965010 KKJOEBKFKXFDDP-AQTBWJFISA-N 343.386 5.067 50 40 EKGB N#C/C(=C\c1ccc(-c2cccc(F)c2)o1)c1nc2ccccc2[nH]1 39885095 LOOHUUJLRLFDLE-SDNWHVSQSA-N 329.334 5.026 50 40 EKGB Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1 6844387 DUNCPWXQBVFJQS-RVDMUPIBSA-N 335.407 5.234 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)OCO2 409366387 UTYPAZWLOUEADJ-DHDCSXOGSA-N 349.773 5.393 50 40 EKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(C)cc1 408581744 ZCZXGFNKYCTTIV-HMMYKYKNSA-N 325.411 5.777 50 40 EKGB O=C1OC(=O)c2c1cc1ccc(Cl)cc1c2-c1ccc(Cl)cc1 104259540 UWPIRBYHSQHHSJ-UHFFFAOYSA-N 343.165 5.124 50 40 EKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2cccc(F)c2)o1 409392374 LTDINMLIGUJZLM-RVDMUPIBSA-N 348.333 5.367 50 40 EKGB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](Cl)c1ccccc1 3289327 IUOGCLQISALOPW-CYBMUJFWSA-N 348.151 5.277 50 40 EKGB Cn1cc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21 408588293 VMAXROHAEAAHRC-MDWZMJQESA-N 327.214 5.549 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1cccc(Cl)c1 408599766 ZJBXDWQBGBNDEY-WJDWOHSUSA-N 330.774 5.536 50 40 EKGB CC/C(=N/NC(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 4651660 UDOPHDSAEIJZQM-PYCFMQQDSA-N 344.886 5.052 50 40 EKGB COc1ccc(/C=C(\C#N)c2cccc(Br)c2)cc1Cl 408770728 BNBGLWHWXQDXTJ-NTUHNPAUSA-N 348.627 5.175 50 40 EKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)c2ccccc2F)o1 33481189 KGOUNLKGYLGKHH-UVTDQMKNSA-N 337.781 6.112 50 40 EKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 337298 MZWYHUKMPXXYGF-RIYZIHGNSA-N 345.229 5.156 50 40 EKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 5750006 QSHAVSUCKSIZQW-GZTJUZNOSA-N 338.838 5.318 50 40 EKGB CCCCCCCCC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 100165914 YCTCQUUBCBTWAB-CJLVFECKSA-N 332.532 5.446 50 40 EKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)cc1 409391634 JAALHUXMMDPCHJ-UNOMPAQXSA-N 346.405 5.306 50 40 EKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 143539 AQMSBNFGIJCSRH-XSFVSMFZSA-N 340.426 5.509 50 40 EKGB CCCC1CCC(=NNC(=O)c2ccc(-c3ccccc3)cc2)CC1 5792155 ZWTQJIDXKTZIMN-UHFFFAOYSA-N 334.463 5.430 50 40 EKGB CCOC(=O)/C(O)=C(\C#N)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 104055186 LBPRXOSZJJVKMA-VXPUYCOJSA-N 349.430 5.007 50 40 EKGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1C1CCCC1 4705534 ULSXSFAKXZYBEV-SFQUDFHCSA-N 330.435 5.161 50 40 EKGB O=C(O)c1cnc2ccc(S(F)(F)(F)(F)F)cc2c1Cl 110749778 BVDMNBLZTANHOA-UHFFFAOYSA-N 333.665 5.244 50 40 EKGB COc1cc(C)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 6280506 MNUJBQSFYHOBBU-NDENLUEZSA-N 329.399 5.230 50 40 EKGB ClC(Cl)(Cl)[C@@H]1CC[C@H](Br)[C@H]2CCCC[C@@H]21 104138628 GYYWZRYKQUUECM-QEYWKRMJSA-N 334.512 5.337 50 40 EKGB CCc1ccc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1 2287710 FDCNMTAKJXQJOU-LGMDPLHJSA-N 331.444 5.349 50 40 EKGB CSSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N 5335900 LCNYQZJLMJUVKU-UHFFFAOYSA-N 334.469 5.657 50 40 EKGB O=C(N[C@@H]1CC/C=C(\c2ccccc2)C[C@@H](Cl)C1)c1ccccc1 104098619 OLZQLUTXISDFGC-NUMRFLCSSA-N 339.866 5.050 50 40 EKGB O=C(c1cccc2ccccc12)[C@H](Br)c1ccccc1 3844976 JHWSLXNUWJRUEE-QGZVFWFLSA-N 325.205 5.159 50 40 EKGB biogenic N#C/C(=C/c1ccc(N2CCCCCC2)cc1)c1nc2ccccc2[nH]1 51121267 BKPFBQYDLDJEEW-SDXDJHTJSA-N 342.446 5.007 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 5777594 RQVKVTXIWSSYSN-FOWTUZBSSA-N 332.790 5.039 50 40 EKGB CCCCCCCCCCCCCCCCCCCC(=O)CCl 104157980 GEAGXQYWNCVEIL-UHFFFAOYSA-N 345.011 7.836 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1 242982 KPHGHZKGSIADCA-HYZSBJHASA-N 344.439 5.439 50 40 EKGB C=CCc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(OC)c1O 8108883 FCIKWYYIGNOVJA-CPNJWEJPSA-N 341.410 5.347 50 40 EKGB CCN(CC)c1ccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)o1 39127409 FJWOXSSWBHTINS-XFXZXTDPSA-N 335.234 5.497 50 40 EKGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccc2ccccc12 58354 QEFTVTCOHNHUPX-QFIPXVFZSA-N 348.405 5.211 50 40 EKGB O=C(Cl)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl 41127245 RWOCBWGLQCUXPZ-UHFFFAOYSA-N 340.593 5.110 50 40 EKGB O=C(NN=C1CCCCCCC1)C(c1ccccc1)c1ccccc1 59515937 FIIGLCSDMQKDEJ-UHFFFAOYSA-N 334.463 5.035 50 40 EKGB CC(C)n1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21 408567046 CMFPATFNLYSANJ-ZROIWOOFSA-N 344.393 5.302 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC 408549269 RUABQANMXKHMQQ-BKUYFWCQSA-N 343.426 5.701 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1cccc2ccccc12 6496576 GJHDCEPUXJBDDS-NBVRZTHBSA-N 339.369 6.303 50 40 EKGB N#C/C(=C/c1ccnc2ccccc12)c1nc(-c2ccccc2)cs1 9306467 PBSQKTINPYNGLU-ATVHPVEESA-N 339.423 5.422 50 40 EKGB CC(C)N1c2ccc(/C=C(\C#N)c3ccccc3)cc2[C@@H](C)CC1(C)C 223550604 MXLSQIXXRKLVCH-LANLRWRYSA-N 344.502 6.251 50 40 EKGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408601233 JGEIDRJWAKTODB-HNMKQIAWSA-N 348.446 5.026 50 40 EKGB CCOC(=O)CCCCCCCCCCCCCCBr 4285404 WTGINEVKLCVRCK-UHFFFAOYSA-N 349.353 6.016 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c(C)c1 7160151 YLCKHDDMWIRSRL-RIYZIHGNSA-N 345.229 5.156 50 40 EKGB CC1(C)C[C@H]2C[C@@](C)(CN2C2=CC3=CC(=C(C#N)C#N)CC[C@@H]3CC2)C1 101269046 WFFSHGFTJBZAJL-XORNHQRDSA-N 347.506 5.245 50 40 EKGB COc1cc(C)c(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1C(C)C 107906228 ISHYMVMZTCUMNX-YVLHZVERSA-N 345.446 5.376 50 40 EKGB COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408580308 OEGWNBMGDPUMAW-KPKJPENVSA-N 334.202 5.075 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)cc1C 408740533 LJADOHOVYLOKLT-HYARGMPZSA-N 326.443 5.775 50 40 EKGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)c1cccc(F)c1 409391656 JDIYQPJHVFFSLD-UNOMPAQXSA-N 347.364 5.608 50 40 EKGB CCCCCCCCCCCCC#CC#CCCCBr 2522724 BCWJEWJRRDCQQU-UHFFFAOYSA-N 339.361 6.479 50 40 EKGB in-vitro Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)c2ccccc2F)o1 6846535 UINCUICPBYNOME-GDNBJRDFSA-N 347.345 5.157 50 40 EKGB COc1ccc(Cl)cc1-c1csc(/C(C#N)=C\c2ccco2)n1 33699621 KSKIWCNAKLKVEX-XFFZJAGNSA-N 342.807 5.129 50 40 EKGB CCCCCCCCCCCC[S@](=O)C(CCl)CCl 98002744 WXQORZZNPOKEJO-LJQANCHMSA-N 329.377 5.502 50 40 EKGB Cc1cccc([C@]2(C)CC(C)(C)N(C(=O)CCl)c3ccccc32)c1 497791 ASWHGGHRNFNUEO-NRFANRHFSA-N 341.882 5.055 50 40 EKGB C[C@H]1CCC/C(=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 27490381 HVLIURVQVZZHHV-ZLUHGAPXSA-N 328.868 5.951 50 40 EKGB CCCCCCCCCCCCCCCC[N+](C)(C)CCCl 100923845 DVYXTRARHXPBDK-UHFFFAOYSA-N 333.024 6.783 50 40 EKGB Clc1cc2c(cc1Cl)[C@@H]1c3ccccc3[C@@H]2[C@H](Cl)[C@@H]1Cl 101020717 KYLQWFSTZRRSAO-YHUYYLMFSA-N 344.068 5.799 50 40 EKGB CC(C)(C)OOC(C)(C)c1cccc(C(C)(C)OOC(C)(C)C)c1 2038780 UBRWPVTUQDJKCC-UHFFFAOYSA-N 338.488 5.650 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C)n2)cc1 13774160 UEHLILQRYPZENX-VBKFSLOCSA-N 347.443 5.104 50 40 EKGB CCC(C)(C)[C@@H]1CCC(=O)/C(=C/Nc2ccc(SC#N)cc2)C1 408563218 JKXQKHDVSOAXMX-OKFGHLOFSA-N 328.481 5.361 50 40 EKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 560279 QENOWRIQLBDDPQ-FYJGNVAPSA-N 343.401 5.777 50 40 EKGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 16412038 MMQSNFLIVGKBLV-NTCAYCPXSA-N 338.838 5.183 50 40 EKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc21 208203656 FQDDUMSYQCIFLQ-JQFNYASXSA-N 334.438 5.612 50 40 EKGB N#CC(C#N)=C(C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1 251244 VCKIILLTWPMHNY-UHFFFAOYSA-N 346.393 5.481 50 40 EKGB CC(C)CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 5214608 RPGPXAULQCIDDC-RVDMUPIBSA-N 343.810 5.096 50 40 EKGB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCBr 83316793 CKJOMAVHOLGUBD-DOFZRALJSA-N 339.361 7.137 50 40 EKGB in-vitro CCCCCCCCCCC[C@H](CCO)O[Si](C)(C)C(C)(C)C 200119911 WOUDGKLRLYISOC-LJQANCHMSA-N 344.656 6.680 50 40 EKGB Cc1ccccc1/C=C(/C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4174863 HGRXWCMXRZRMEY-YBEGLDIGSA-N 347.399 5.091 50 40 EKGB Cc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br 409357607 JMAGFUSLKKPYDS-ZSOIEALJSA-N 332.628 5.475 50 40 EKGB CC(C)(C)c1cc(CCCBr)cc(C(C)(C)C)c1O 2275472 HQGSMOOSZBPPGH-UHFFFAOYSA-N 327.306 5.315 50 40 EKGB O=C(Cl)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 218716218 SIJGWOQFSDGYHA-XBXARRHUSA-N 328.198 5.438 50 40 EKGB in-vitro CC(C)(C)Oc1ccc(C(=O)CCCCCBr)cc1 575357554 KVWTXHBLJCEOBK-UHFFFAOYSA-N 327.262 5.002 50 40 EKGB CCC(C)(C)C1CCC(=NNC(=O)c2cccc3ccccc23)CC1 5791981 ASCJKYRVCWXGBA-UHFFFAOYSA-N 336.479 5.552 50 40 EKGB CCOc1cc(C=C(C#N)C#N)ccc1OCc1c(C)cc(C)cc1C 59305831 KTCMILKZAOVGJN-UHFFFAOYSA-N 346.430 5.020 50 40 EKGB CCCCCCCCCC(=O)N/N=C/c1ccc2ccccc2c1O 2100178 KJDRZTHKDBBQHO-CJLVFECKSA-N 340.467 5.136 50 40 EKGB Cc1sc(C=C(C#N)C#N)cc1CSc1ccc(Cl)cc1 2727523 MNTFLKAVYPORGV-UHFFFAOYSA-N 330.865 5.433 50 40 EKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)c1cccc(C#N)c1 33563437 IKQQPOIHQFGZNH-XSFVSMFZSA-N 338.410 5.564 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)c(OCC)c1 107689530 WNMXUHZDCNGUQI-STZFKDTASA-N 343.426 5.701 50 40 EKGB O=C(c1ccc(Br)cc1Cl)[C@@H](Cl)c1ccccc1 126991194 MONAISIEBPREGJ-ZDUSSCGKSA-N 344.035 5.265 50 40 EKGB CCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 4020972 NWXHFBCGGNAKLJ-XDHOZWIPSA-N 330.456 5.745 50 40 EKGB Cc1ccc(C(C)(C)C[PH](C)(c2ccccc2)c2ccccc2)cc1 104153161 MRLZYGGZQIDGRM-UHFFFAOYSA-N 348.470 5.303 50 40 EKGB O=C(CCCCBr)c1cc2ccccc2c2ccccc12 575358969 MLVUPIMAJSBOBZ-UHFFFAOYSA-N 341.248 5.741 50 40 EKGB N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccccc2O)cs1 6846938 NXOSAIFRVYGWHR-RKQKHZQPSA-N 330.412 5.136 50 40 EKGB CC(C)(C)OC(=O)/C=C/Cc1ccccc1O[Si](C)(C)C(C)(C)C 199531046 VHLKDEZVAMITLT-RVDMUPIBSA-N 348.559 5.511 50 40 EKGB Cc1nn(C23CC4CC(CC(C4)C2)C3)c(C(Cl)Cl)c1Cl 5808380 IABHKNHZQLBNQE-UHFFFAOYSA-N 333.690 5.246 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1 33741364 UJZVWUSEZRXUHG-UHVIJJLKSA-N 331.419 5.113 50 40 EKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)cc1 408753058 LCPAPACHQNSGTD-STZFKDTASA-N 344.433 5.860 50 40 EKGB C[C@H](Cl)C(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 507234 GYEYKZPZBQXUPT-BTYIYWSLSA-N 341.882 5.135 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1 6355867 GLWJCSARWPOWPV-FABDANFUSA-N 327.427 6.081 50 40 EKGB N#C/C(=C/c1ccccc1Br)c1ccc2ccccc2c1 408548937 NSSCHIYCDFBTNR-PDGQHHTCSA-N 334.216 5.666 50 40 EKGB O=C(Cl)c1sc2ccc(OCc3ccccc3)cc2c1Cl 34343849 CKNPQZSCMFMRPI-UHFFFAOYSA-N 337.227 5.513 50 40 EKGB ClC[C@H](Cl)CCCC[C@H](Cl)CC(Cl)(Cl)Cl 2539151 FLPYBWOIOHZULG-JGVFFNPUSA-N 334.929 5.761 50 40 EKGB N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2ccc(F)cc2)cs1 33758917 NQPPJVGNQPTYKM-RIYZIHGNSA-N 340.810 5.667 50 40 EKGB CC(C)(CCl)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361278 WKZHZWJUJLQURV-UHFFFAOYSA-N 332.671 5.172 50 40 EKGB Cc1ccccc1[C@@H]1C(C=O)=C(c2ccccc2)Oc2ccccc21 3122251 GQHGABLBAMYILP-QFIPXVFZSA-N 326.395 5.130 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\C=C\c3ccc(C)o3)n2)cc1 14671761 NKBMZBWMTZMOSJ-PJXRBBBZSA-N 332.428 5.640 50 40 EKGB ClCc1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 73635351 SDRAWDALQCPXOD-UHFFFAOYSA-N 328.651 6.009 50 40 EKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1 408581301 WBQVIOIYGOGWIJ-XNTDXEJSSA-N 330.214 5.622 50 40 EKGB N#C/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 6225542 ATYMALRPEHGVEH-OWOJBTEDSA-N 348.627 5.218 50 40 EKGB CN(C)c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1 4688395 OCKGUCKAHIGNHY-UHFFFAOYSA-N 343.515 5.143 50 40 EKGB CCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)c(OCCC)c1 5859217 BJJPJWGIRZNVNC-XMHGGMMESA-N 349.430 5.054 50 40 EKGB COc1ccc(-n2cccc2/C=C(/C#N)c2ccc(Cl)cc2)cc1 408851441 ZKOKXJZSGDDFKR-SSZFMOIBSA-N 334.806 5.203 50 40 EKGB CC1=C(C#N)C(/C=C(/Cl)c2ccc3ccccc3c2)C(C#N)=C(C)N1 71416808 XAXBPPFLJOEOLN-UFFVCSGVSA-N 345.833 5.234 50 40 EKGB CCCCCCCC/C=C/CCCCCCCCBr 102262600 RRQWVJIFKFIUJU-MDZDMXLPSA-N 331.382 7.419 50 40 EKGB CC(C)c1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(C(C)C)c1O 408847609 NSNJGHDZXFXROW-RQZCQDPDSA-N 339.866 6.357 50 40 EKGB Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1CCl 87473 YSQLZHMGZAPIGP-UHFFFAOYSA-N 333.815 5.344 50 40 EKGB O=C(c1ccc(Br)c(Cl)c1)[C@H](Cl)c1ccccc1 148768089 HJHWUNHNTUFQEN-CYBMUJFWSA-N 344.035 5.265 50 40 EKGB O=C(c1ccc2ccccc2c1)[C@@H](Cl)[C@H](Cl)c1ccccc1 1685482 ZWUJWOWMHSVEQS-MSOLQXFVSA-N 329.226 5.610 50 40 EKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 6971167 UTVOEPZQMRUHGY-QINSGFPZSA-N 349.777 5.103 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)c(C)c1 215745902 MQMKVOWQJVTFOC-LCYFTJDESA-N 345.229 5.156 50 40 EKGB O=C(O)CCCCCCCCCCCC[C@H](F)CBr 98174861 LLNNDRIUZRRTDB-AWEZNQCLSA-N 339.289 5.485 50 40 EKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc21 208440680 ZCDXQRQYNIBFMG-ZDLGFXPLSA-N 348.877 6.036 50 40 EKGB CC/C=C/C/C=C/C[C@@H](/C=C/C=C/C/C=C\CCCC(=O)O)OO 299888379 HDMYXONNVAOHFR-ZJAWCENMSA-N 334.456 5.461 50 40 EKGB CC(C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Cl 6364787 RGKUGCQXGCABKS-NVNXTCNLSA-N 342.782 5.100 50 40 EKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(C#N)c3)o2)cc1Cl 408566605 HXYGQNQFDJITFY-ZDLGFXPLSA-N 344.801 5.844 50 40 EKGB C#CCOc1ccccc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408580250 NJFLVRGDANRJMS-GXDHUFHOSA-N 328.198 5.070 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)c1cccc(F)c1 409392403 MCSIPXWEWCZPHG-UNOMPAQXSA-N 347.364 5.608 50 40 EKGB CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408601295 JQYLXLGHMDQGEN-HUCUOGIVSA-N 348.446 5.026 50 40 EKGB CCN1c2cc(C)c(/C=C(\C#N)c3ccccc3)cc2[C@H](C)CC1(C)C 208319054 FZDHZNXHICBNJQ-KOMLCTQHSA-N 344.502 6.171 50 40 EKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl 33305692 MZWYHUKMPXXYGF-ZSOIEALJSA-N 345.229 5.156 50 40 EKGB FC(F)(F)c1ccc2c(c1)N(CCCCl)c1ccccc1S2 1755158 BZEJZIAESDBOJX-UHFFFAOYSA-N 343.801 5.937 50 40 EKGB in-vitro COc1cccc(/C=C(\C#N)c2ccc(Cl)cc2)c1OC(C)C 566207 MXROEJRFNJYPGQ-LFIBNONCSA-N 327.811 5.200 50 40 EKGB ClC(Cl)(Cl)[C@@H]1CC[C@H](Br)[C@H]2CCCC[C@H]21 104138623 GYYWZRYKQUUECM-RGOKHQFPSA-N 334.512 5.337 50 40 EKGB CCc1ccccc1-n1c(C)cc(/C=C(\C#N)c2ccccc2)c1C 408968354 VVXWQLFMJLLBQQ-PXLXIMEGSA-N 326.443 5.721 50 40 EKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1 408582007 KXVNNZKDBIGVGV-KGENOOAVSA-N 341.410 5.338 50 40 EKGB Cc1cccc(Cn2cc(/C=C(\C#N)c3ccccc3)c3ccccc32)c1 408998126 SZMBHWBSANPYIE-PXLXIMEGSA-N 348.449 6.062 50 40 EKGB CC1=CC(C)(C)N(C(=O)[C@@H](Cl)c2ccccc2)c2ccccc21 527528 CIDWKQOJPCDXSS-SFHVURJKSA-N 325.839 5.195 50 40 EKGB CCC(C)(C)[C@H]1CCC(=O)/C(=C/Nc2ccc(SC#N)cc2)C1 408563220 JKXQKHDVSOAXMX-ZQHYZAEZSA-N 328.481 5.361 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1ccc(C#N)cc1 582384 DOGLETRBFCFBMI-XKZIYDEJSA-N 336.394 5.201 50 40 EKGB N#C/C(=C/c1cccs1)c1nc(-c2cccc(Cl)c2)cs1 4616648 LCPNBEQVDQKKFK-WQLSENKSSA-N 328.849 5.589 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1ccc2ccccc2c1 408550686 IYROKPHDCDZQKT-ZHZULCJRSA-N 339.369 6.303 50 40 EKGB O=C(Cl)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127612 VTWQINMDTUEKIA-UHFFFAOYSA-N 340.593 5.110 50 40 EKGB N#C/C(=C/c1cccn1-c1ccc(F)cc1)c1ccc2ccccc2c1 408552367 SCTNKMVLKIBCCN-HKWRFOASSA-N 338.385 5.834 50 40 EKGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)C1 12403579 RLFAOMQSVJUXMG-PZJQAWQVSA-N 344.458 5.372 50 40 EKGB N#C/C(=C\c1ccc2oc3ccccc3c2c1)c1nc2ccccc2[nH]1 20436836 ORHSGPVERBFEGD-RVDMUPIBSA-N 335.366 5.526 50 40 EKGB CCCCCCCCCCOc1ccc(C(=O)NN=C(C)C)cc1 103007423 LTXGXDHDYFAABM-UHFFFAOYSA-N 332.488 5.332 50 40 EKGB ClCCN(CCCl)c1ccc(/C=C2/C=Cc3ccccc32)cc1 104050531 XOUXRNLNUYVBTO-SDXDJHTJSA-N 344.285 5.538 50 40 EKGB C=CCOc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1OC 6441248 JIMOUWSQTRMOGN-RGEXLXHISA-N 341.410 5.477 50 40 EKGB CC(C)COc1c(Cl)cc(/C=C(\C#N)c2ccccc2)cc1Cl 409045223 FSNYIJCXSMHCOE-LZYBPNLTSA-N 346.257 6.092 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)cc1 408565910 CGCJYAVPLBJDJT-XKZIYDEJSA-N 337.426 5.338 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc3ccccc23)c(C)n1-c1ccccc1 409313932 RETAGDKDAAAJRM-JWGURIENSA-N 348.449 6.312 50 40 EKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1 409355151 JHXKQFVYLOQYRA-NBVRZTHBSA-N 347.845 6.346 50 40 EKGB O=C(CCCCBr)c1ccc(Cl)c(C(F)(F)F)c1 575360844 JSFVRNLNNJMMOJ-UHFFFAOYSA-N 343.570 5.107 50 40 EKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1F 5007569 ZDQIITZHZSFONV-RVDMUPIBSA-N 335.407 5.234 50 40 EKGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1 367417 PNMVCWMTEGIJRG-IBGZPJMESA-N 346.817 5.020 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)s3)n2)cc1 4071216 UCHBFPAPVBDPGL-NTEUORMPSA-N 338.457 5.253 50 40 EKGB COc1ccccc1/C=C(/C#N)c1nc(-c2ccc(F)cc2)cs1 4174901 UVMKDYUOHCJREB-GDNBJRDFSA-N 336.391 5.022 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2F)o1)c1nc2ccccc2[nH]1 4494434 KESWNUVSHTYWKF-FMIVXFBMSA-N 347.324 5.165 50 40 EKGB O=C1N(c2ccccc2)P(Cl)(Cl)(Cl)N1c1ccccc1 104162722 SZVDQYJCOAFJAC-UHFFFAOYSA-N 347.569 5.978 50 40 EKGB COc1cccc(-c2csc(/C(C#N)=C\c3ccccc3C)n2)c1 4174867 XGXAMRMTSPMWHC-YVLHZVERSA-N 332.428 5.191 50 40 EKGB COc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)cc1 5601042 NPWCRLROZFOAIH-QGOAFFKASA-N 348.446 5.019 50 40 EKGB CC(C)[Si](OCc1cccc(F)c1C(=O)O)(C(C)C)C(C)C 219799340 XWIQXJJBTULZIX-UHFFFAOYSA-N 326.484 5.216 50 40 EKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccccc3F)cc2)cc1 6300150 FWXVROFYZINRAK-ZHZULCJRSA-N 343.401 5.777 50 40 EKGB O=C(N[C@@H]1CCC=C(c2ccccc2)C[C@@H](Cl)C1)c1ccccc1 1709202 OLZQLUTXISDFGC-WOJBJXKFSA-N 339.866 5.050 50 40 EKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c1 16411733 UKDWXKYOPLOTMC-RIYZIHGNSA-N 345.229 5.156 50 40 EKGB CCCCCCCCCCCNC(=O)N(CCCl)CCCl 104388235 KTWPINNWXLGAES-UHFFFAOYSA-N 339.351 5.006 50 40 EKGB N#C/C(=C/c1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl 197711981 XMSMJZYOPOQBAK-PTNGSMBKSA-N 343.257 5.658 50 40 EKGB O=C(c1ccc(Cl)cc1C(F)(F)F)[C@H](Cl)c1ccccc1 575361225 UDGFMZUEIFTOPO-CYBMUJFWSA-N 333.136 5.522 50 40 EKGB N#C/C(=C/c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 408585198 CSIXYWYSIXGMIM-UITAMQMPSA-N 343.007 5.413 50 40 EKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc21 208448649 OYZBZAYDLNOXBN-WQRHYEAKSA-N 348.877 6.036 50 40 EKGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1 1772568 AZQIUFMSVCQXMY-RCCKNPSSSA-N 346.474 5.698 50 40 EKGB O=C(CCl)N(CC1CCCCCCC1)c1ccc2ccccc2c1 199757583 NNVQJKKTWXLSFN-UHFFFAOYSA-N 343.898 5.772 50 40 EKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1 206484282 BWQDJZFIRZSTAW-KNTRCKAVSA-N 348.446 5.191 50 40 EKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(C#N)cc3)o2)cc1Cl 409367658 CVIXYGZWWBPFQK-ZDLGFXPLSA-N 344.801 5.844 50 40 EKGB Cc1cccc([C@@H](C)CCCCN(CCCl)CCCl)c1C 3151782 XWKFTBAOUWWYIA-INIZCTEOSA-N 330.343 5.357 50 40 EKGB CCCCCCCCCCCC[S@@](=O)C(CCl)CCl 98002743 WXQORZZNPOKEJO-IBGZPJMESA-N 329.377 5.502 50 40 EKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2o1 409043109 PVDUISWXXMIJTI-IZZDOVSWSA-N 345.185 5.207 50 40 EKGB Cc1cccc(C)c1N/C(S)=C(\C#N)c1nc2ccccc2s1 12564733 XLGOFNVJGMSLJW-LGMDPLHJSA-N 337.473 5.147 50 40 EKGB O=C(Cl)c1cc(F)ccc1Sc1ccc(Cl)c(Cl)c1 2187503 YHTARBSTOIIDHG-UHFFFAOYSA-N 335.614 5.663 50 40 EKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12 6496560 LXICVVBSSVNJCQ-XNTDXEJSSA-N 334.762 5.466 50 40 EKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 13739245 SECVETJCFRODPZ-GDNBJRDFSA-N 336.391 5.022 50 40 EKGB CC(C)n1cc(/C=C(/C#N)c2cccc3ccccc23)c2ccccc21 409331641 HDKVVXAKEXHAKV-RGEXLXHISA-N 336.438 6.440 50 40 EKGB Cc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)c2ccccc12 218727315 PHXQPTCOJCDFTC-UHFFFAOYSA-N 331.802 5.742 50 40 EKGB CC(C)[Si](OCc1cccc(C(F)(F)F)c1)(C(C)C)C(C)C 219798488 CNAHOKZWMOXXRB-UHFFFAOYSA-N 332.482 6.398 50 40 EKGB Cc1cc(/C=C(\C#N)c2cccc(F)c2)c(C)n1Cc1ccccc1 1062792 ADZJFGOIOFGFNL-CIAFOILYSA-N 330.406 5.357 50 40 EKGB Cc1cccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1 3168932 IYQNOXRANJFNFW-BUVRLJJBSA-N 338.410 5.065 50 40 EKGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)c1ccccc1F 6322758 VRTXVZSZOATOPU-AQTBWJFISA-N 347.364 5.608 50 40 EKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)c1ccccc1 408818876 QVSZQCHBVQMAHW-LFIBNONCSA-N 340.220 5.078 50 40 EKGB N#C/C(=C\c1ccccc1Sc1ccccc1)c1cccc(F)c1 409390559 FVBZLLPBVDODML-QGOAFFKASA-N 331.415 6.041 50 40 EKGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 408586085 LAOGIHOWCVSVMA-WZUFQYTHSA-N 343.040 6.364 50 40 EKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCC 409066592 BBQRDJKFSNKQCP-XSFVSMFZSA-N 333.431 5.277 50 40 EKGB CCCCCCc1ccc(-c2csc(NC(=O)CCl)n2)cc1 3268163 PBJGADGELNFTPQ-UHFFFAOYSA-N 336.888 5.110 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1C 6966764 MHTGIIIHNHRMJE-AQTBWJFISA-N 343.386 5.067 50 40 EKGB N#CC(C#N)=C/C=C(\Sc1ccc(Cl)cc1)c1ccc(F)cc1 68521 HDQUEDRELODXLJ-ZDLGFXPLSA-N 340.810 5.586 50 40 EKGB CC/C(Cc1ccccc1)=N/NC(=O)c1ccc(-c2ccccc2)cc1 59489067 BAOQKWXXFXKHIV-GYHWCHFESA-N 342.442 5.092 50 40 EKGB FS(F)(F)(F)(F)c1ccc(Cl)c(CBr)c1 97976198 NEMJZJUXDTVVTE-UHFFFAOYSA-N 331.531 5.892 50 40 EKGB Cc1c(C)c(C)c(C(=O)CCCCCBr)c(C)c1C 575358941 ZAWRBXVDELEMHK-UHFFFAOYSA-N 325.290 5.367 50 40 EKGB CC(C)c1ccccc1N/C=C(/C#N)c1nc(-c2ccccc2)cs1 100839873 YOZYHAPPAUXXBD-LGMDPLHJSA-N 345.471 5.910 50 40 EKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC 560407 FWWFRPVLOUYNFQ-LICLKQGHSA-N 341.838 5.510 50 40 EKGB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Cl)c1ccccc1 3289325 IUOGCLQISALOPW-ZDUSSCGKSA-N 348.151 5.277 50 40 EKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3cccs3)n2)cc1 4811884 WHFJLLXBYMYMBZ-GXDHUFHOSA-N 338.457 5.334 50 40 EKGB CCCCCCCCCCOc1ccc(/C=C(\C#N)C(=O)O)cc1 59608695 BZVGGENWPBJMJC-OBGWFSINSA-N 329.440 5.198 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(C#N)cc1 33714209 XCJFQKSHNOMDKY-UNOMPAQXSA-N 341.389 5.169 50 40 EKGB C[C@H](Cl)[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2270635 IIJWXHQNSKMSBO-NHYWBVRUSA-N 340.275 5.067 50 40 EKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(F)cc3)cc2)cc1 409233518 SQPMTRDOFGCQIE-RGEXLXHISA-N 345.442 6.350 50 40 EKGB O=C(CCCCBr)c1cc(C(F)(F)F)ccc1Cl 575360561 JXUARCUCMPPBJG-UHFFFAOYSA-N 343.570 5.107 50 40 EKGB CC/C=C/C[C@@H](/C=C/C=C/C/C=C/C/C=C\CCCC(=O)O)OO 299888324 FPMFSFWYWZLDKP-GUDQWDHKSA-N 334.456 5.461 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 409366434 VABXGEUZJUMCBC-ZHZULCJRSA-N 345.829 5.983 50 40 EKGB Cc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 4313657 LWWRJLBCHUCQCY-MHWRWJLKSA-N 347.399 5.091 50 40 EKGB O=C(CCCCBr)c1cccc(OCc2ccccc2)c1 382680189 AJZFDXBTAVTDOY-UHFFFAOYSA-N 347.252 5.014 50 40 EKGB C[C@@H](Cl)C(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C 507237 GYEYKZPZBQXUPT-QVKFZJNVSA-N 341.882 5.135 50 40 EKGB CCOc1cccc(/C=C(\C#N)Sc2nc3ccccc3s2)c1 34794775 MYBSYDIJDNBSPU-RVDMUPIBSA-N 338.457 5.352 50 40 EKGB C[C@]12CC[C@@H](Br)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 253617197 BJTCHUWBZZQPHW-DWQYQCALSA-N 339.361 6.183 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(/C#N)c1ccc2ccccc2c1 107999991 PBKVDGIOMWINEA-JWGURIENSA-N 349.433 6.456 50 40 EKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1cccc(C#N)c1 408566709 ILFNSEAIDFXRNZ-GZTJUZNOSA-N 330.774 5.536 50 40 EKGB CC(C)(C)c1ccc(C(=O)OC(=O)c2ccc(C(C)(C)C)cc2)cc1 100011777 KKDPRVYYZZUPLR-UHFFFAOYSA-N 338.447 5.279 50 40 EKGB CCSC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104105875 IHSVGQFAGFFKBX-INIZCTEOSA-N 344.867 5.362 50 40 EKGB Cc1cc(Br)cc(C)c1C(=O)[C@H](Cl)c1ccccc1 575362443 LZYQFRBFFZBIHY-OAHLLOKOSA-N 337.644 5.229 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1 245781 NDFAYHIBJLRUCJ-CXUPVGNPSA-N 328.440 5.739 50 40 EKGB CC/C(=N/NC(=O)CCC1CCCCC1)C12CC3CC(CC(C3)C1)C2 34847264 XPMWQLMWKGQJRP-ATJXCDBQSA-N 344.543 5.446 50 40 EKGB Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2nc3ccccc3o2)cc1 2380051 UZLPYLRSHOGNCL-ODLFYWEKSA-N 343.411 5.243 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3)n2)cc1 100159764 VPXGZQHRWQJOMA-GHRIWEEISA-N 331.444 5.349 50 40 EKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc21 208203699 FQDDUMSYQCIFLQ-GZQZNAIASA-N 334.438 5.612 50 40 EKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 143527 HWODYWGSIARJKN-GZTJUZNOSA-N 338.838 5.318 50 40 EKGB N#C/C(=C/c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 3995805 DBBZPGMSSKBDQM-WQLSENKSSA-N 328.849 5.589 50 40 EKGB O=[N+]([O-])c1cc(S(F)(F)(F)(F)F)ccc1N1CCCCC1 103631390 XXXPIPBUOJFWPG-UHFFFAOYSA-N 332.294 5.243 50 40 EKGB N#C/C(=C/c1ccccc1OCc1ccccc1)c1cccc(C#N)c1 33561013 IGTJVVNRIYCJME-HMAPJEAMSA-N 336.394 5.201 50 40 EKGB Cc1cccc(C(C)C)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 140386 DVZYQGATXAFNJW-LFIBNONCSA-N 338.838 5.318 50 40 EKGB C[C@H](/C=N/NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 5275974 LKRIYEOQOMPBCL-ZICWZVMQSA-N 342.851 5.074 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1C 5342563 NCSRGFBJPCDUBO-ZSOIEALJSA-N 345.229 5.156 50 40 EKGB CCCCC[C@@H](/C=C/C=C/C/C=C\C/C=C\CCCC(=O)O)OO 38147912 BFWYTORDSFIVKP-ZGQGHASDSA-N 336.472 5.685 50 40 EKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)c1 39884497 JNTXKUYSFHXVCG-QGOAFFKASA-N 342.398 5.109 50 40 EKGB CCC[C@@H](ON1C(C)(C)CCCC1(C)C)c1ccc(CCl)cc1 390822412 UYCDTOKWQBOJDC-GOSISDBHSA-N 337.935 6.241 50 40 EKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1cccc(Cl)c1 408598691 INTBLLYWLKIHJH-RVDMUPIBSA-N 340.209 6.318 50 40 EKGB COc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1OC 408585170 BZLYUVSDBSKGHM-QPEQYQDCSA-N 334.202 5.075 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)nc1 409394349 ZGAWFPXECRVJEN-GRSHGNNSSA-N 331.394 5.001 50 40 EKGB Cc1sc(C)c(Cc2c(C)sc(C)c2CCl)c1CCl 2574921 TZFDFYPEDJUAJT-UHFFFAOYSA-N 333.349 6.112 50 40 EKGB CCCCCCCCCC[C@@H](Br)CBr 100075913 HBRJEAWYCNGOSP-GFCCVEGCSA-N 328.132 5.676 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 615272 KFDGQSQOCJJOKQ-DEDYPNTBSA-N 326.355 5.326 50 40 EKGB CCc1ccc(/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 4175067 NVZARXQJQWLTRK-WQRHYEAKSA-N 346.455 5.445 50 40 EKGB O=C(CBr)c1ccc2cc(Cl)c3ccccc3c2c1 1676772 ONRFWRNBURKOTR-UHFFFAOYSA-N 333.612 5.224 50 40 EKGB O=C(c1ccc2ccccc2c1)[C@H](Br)c1ccccc1 3106362 ZOCQWIVCHBCHFT-QGZVFWFLSA-N 325.205 5.159 50 40 EKGB biogenic CCCOc1ccc2ccccc2c1/C=C(\C#N)c1cccc(Cl)c1 408599155 PKCFYPYRMOOGEK-NBVRZTHBSA-N 347.845 6.346 50 40 EKGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@@]43C)[C@@H]1CC=C2Cl 118934210 QEDOGUNHMUQLSF-USOAJAOKSA-N 325.323 6.289 50 40 EKGB O=C(Cl)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 217704313 AKAYSIZZLBGLJR-QPJJXVBHSA-N 341.621 5.351 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1Cl 409391629 IZSLSSYBVADXMW-LWLPBDFMSA-N 329.802 5.721 50 40 EKGB Cc1ccc(COc2ccccc2/C=C(/C#N)c2cccc(F)c2)cc1 409393807 SHQURMQOOWXYSL-BKUYFWCQSA-N 343.401 5.777 50 40 EKGB Cc1ccc(Sc2ccc(/C=C(\C#N)c3ccc(F)cc3)o2)cc1 4513287 OBSFNGJYQBDRRO-FOWTUZBSSA-N 335.403 5.943 50 40 EKGB Fc1cccc(Cl)c1/C=C\c1ccc(CBr)cc1 71790024 VEZAAMCYMVBLFV-HJWRWDBZSA-N 325.608 5.544 50 40 EKGB [C-]#[N+][C@@H](c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 95686547 XIXROCKJSIJOQD-OAQYLSRUSA-N 347.439 5.054 50 40 EKGB O=C(c1ccc(C(F)(F)F)cc1Cl)[C@H](Cl)c1ccccc1 575361571 RTUGKZYHCPSNRM-CYBMUJFWSA-N 333.136 5.522 50 40 EKGB O=C(CCCCCCCCCCBr)c1ccccc1 3033125 LUARYUYAVNFFTN-UHFFFAOYSA-N 325.290 5.775 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])n2)cc1 4600077 SCSYJZRXHQPMAA-YBEGLDIGSA-N 347.399 5.091 50 40 EKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccccc1Cl 3244790 WDNJADISTZTVEB-FOWTUZBSSA-N 332.790 5.039 50 40 EKGB Cc1ccc(/C=C(\C#N)c2nc3ccc(C(F)(F)F)cc3s2)o1 5506159 ZKIAMWKZQMMYNS-UXBLZVDNSA-N 334.322 5.281 50 40 EKGB COc1cccc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1 6478075 DSUKZFMPFKPCRE-ZDLGFXPLSA-N 346.455 5.500 50 40 EKGB CCC(/C=C\c1ccccc1)=N\NC(=O)c1ccc(Cl)c(Cl)c1 17174677 JAKLJHAKIBFWNU-HWZCQQLESA-N 347.245 5.203 50 40 EKGB CC(C)c1cc(Cl)cc2sc(NC(=O)CCCCl)nc12 20133596 QNYPAAAEBCTGFZ-UHFFFAOYSA-N 331.268 5.031 50 40 EKGB Cc1ccc2nc(-c3ccc(CC(C)C)cc3)cc(C(=O)Cl)c2c1 6279212 WYBBKQFATNEKEQ-UHFFFAOYSA-N 337.850 5.788 50 40 EKGB CCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 169962456 RTAGPHAOBZSEEE-ATVHPVEESA-N 331.419 5.033 50 40 EKGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1ccc(C(F)(F)F)cc1 59137985 IVIFORWMTBDRMD-QINSGFPZSA-N 346.352 5.353 50 40 EKGB O=C(c1ccc2ccccc2c1)[C@H](Cl)[C@H](Cl)c1ccccc1 1685484 ZWUJWOWMHSVEQS-QZTJIDSGSA-N 329.226 5.610 50 40 EKGB Cc1ccc2c(c1)Sc1ccc3ccccc3c1N2C(=O)CCl 1697165 DXMDBILOVSOBER-UHFFFAOYSA-N 339.847 5.516 50 40 EKGB N#C/C(=C/c1ccc(Sc2ccccc2)cc1)c1ccccc1F 6344565 IPYARVPVBITBBQ-VKAVYKQESA-N 331.415 6.041 50 40 EKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2cccc(F)c2)o1 409392427 MNCBCFRHWXJVQQ-GDNBJRDFSA-N 348.333 5.367 50 40 EKGB CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 13775355 RLALHQSOYQEDSF-CYVLTUHYSA-N 348.446 5.110 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(C#N)c3)n2)cc1 14179684 CHQBLIPCTDBPEJ-VCHYOVAHSA-N 327.412 5.054 50 40 EKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc3ccccc23)c1 5538891 JQXCXSFSRJUTTI-UYRXBGFRSA-N 326.399 5.002 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc2ccccc2s1 11859759 ONBXCGRPBBMVBA-NTCAYCPXSA-N 328.396 5.620 50 40 EKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(C)C)cc1 143391 CGHMYSBUJGGNOG-CPNJWEJPSA-N 332.447 5.479 50 40 EKGB Cl[C@@H]1CCCC[C@]1(Cl)P(C1CCCCC1)C1CCCCC1 167844354 SMLKRWXGJAIVFB-MSOLQXFVSA-N 349.326 7.250 50 40 EKGB Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1 32099384 ZMIYBKAOZKRBFQ-FOWTUZBSSA-N 325.371 5.196 50 40 EKGB CCCC[Sn](CCl)(CCCC)CCCC 196270990 ZBFYORAGWQMKLY-UHFFFAOYSA-N 339.539 5.614 50 40 EKGB Cc1cccc(C(=O)NN=C2CCCCCCCCCCC2)c1O 4834376 NNMSZBZUNPTKFZ-UHFFFAOYSA-N 330.472 5.091 50 40 EKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1Cl 209405469 UKGIKLUQJQVGOM-OVCLIPMQSA-N 332.230 5.765 50 40 EKGB CCCC(CCC)=NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 5417347 DDVLUDFTMXJBDG-OAQYLSRUSA-N 348.490 5.065 50 40 EKGB CC(C)c1ccc([C@@H]2C3=C(CCCCC3)C(C#N)=C(N)[C@@H]2C#N)cc1 16575851 GKABHDYYLWCAIB-NHCUHLMSSA-N 331.463 5.044 50 40 EKGB Cc1ccc([C@H](C)CCCCN(CCCl)CCCl)c(C)c1 98048265 LMGWNCSARULGDV-MRXNPFEDSA-N 330.343 5.357 50 40 EKGB CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1C(C)C 408851405 YUSNBBRJBQLDRK-LDADJPATSA-N 348.446 5.063 50 40 EKGB Cc1c(C(=O)CCCCCBr)cccc1C(F)(F)F 575360828 NGGOQXTVNZCAOG-UHFFFAOYSA-N 337.179 5.152 50 40 EKGB N#C/C(=C\C1=C(Cl)c2ccccc2CC1)c1nc2ccccc2[nH]1 1428340 BTMBASMHEJAQSQ-RVDMUPIBSA-N 331.806 5.066 50 40 EKGB C[C@H](Br)CCCCCCCCCCCCCCC(=O)O 16124350 AILKGAODMMCLAY-INIZCTEOSA-N 349.353 6.316 50 40 EKGB Cc1ccc(N/C=C(\C#N)c2ccc(OCCCF)cc2)cc1Cl 100106670 MJUYKQZBPBBJNL-DTQAZKPQSA-N 344.817 5.363 50 40 EKGB CC1=CC(c2ccccc2)=C(C#N)C(=S)[C@@H]1CC(=O)c1cccs1 100312503 XKOVCJNZZHGPAI-OAHLLOKOSA-N 349.480 5.244 50 40 EKGB COc1cccc(/C=C(/C#N)c2ccc3ccccc3c2)c1OC(C)C 408549891 AYNVQKJLGWFMEJ-STZFKDTASA-N 343.426 5.700 50 40 EKGB CC/C=C/C[C@@H](/C=C/C=C/C/C=C\C/C=C/CCCC(=O)O)OO 299888326 FPMFSFWYWZLDKP-ZXJUKACESA-N 334.456 5.461 50 40 EKGB COc1ccc2ccc(OC)c(/C=C(/C#N)c3cccc(F)c3)c2c1 409389865 COWGDTKTTLKQAA-WJDWOHSUSA-N 333.362 5.060 50 40 EKGB Cc1ccccc1/C=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4174864 DVKIYBOXZWKWPX-SXGWCWSVSA-N 347.399 5.091 50 40 EKGB N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)c1cccc(Cl)c1 4675970 STULPMFRJNJPGP-NTCAYCPXSA-N 339.225 5.848 50 40 EKGB COc1cc(C)c(/C=C(\C#N)c2cccc(Cl)c2)cc1C(C)C 408857334 UICLGYIPUUQLDN-RQZCQDPDSA-N 325.839 5.845 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)c(C)c1 245760 KXJPKCLNVNVRIB-QGOAFFKASA-N 342.398 5.109 50 40 EKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1C 100102423 OIHYELKDLQDJJC-LFIBNONCSA-N 349.434 5.543 50 40 EKGB N#C/C(=C/c1cc(Cl)cc(Cl)c1Cl)c1ccc(F)cc1 9262213 OTABBNNJKLDQCE-WZUFQYTHSA-N 326.585 5.850 50 40 EKGB N#C/C(=C/c1cc(Br)cs1)c1ccc2ccccc2c1 108987851 VJWXJRUJHUUHDF-NVNXTCNLSA-N 340.245 5.728 50 40 EKGB N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2ccccc2)cs1 502443 JAMGPYGTOHEMSZ-SDNWHVSQSA-N 337.835 5.440 50 40 EKGB CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1 4175060 LVTYBFYEBDXJCK-MOSHPQCFSA-N 344.483 5.999 50 40 EKGB N#C/C(=C\c1cc2ccccc2nc1Cl)c1nc2ccccc2s1 9418712 BHWYSBWFDBHXSS-GXDHUFHOSA-N 347.830 5.562 50 40 EKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)c1C 211570593 JJQKYIHUPVTJPL-ZSOIEALJSA-N 345.229 5.156 50 40 EKGB Cc1c(C(=O)CCCCBr)sc2ccc(Cl)cc12 575362112 DBCPKPDTQOKIGX-UHFFFAOYSA-N 345.689 5.611 50 40 EKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1C1CCCCC1 33406447 GWGZBBRATIKFLZ-RGEXLXHISA-N 347.462 5.156 50 40 EKGB Cc1cc2c(cc1/C=C(\C#N)c1ccccc1)[C@@H](C)CC(C)(C)N2C 208234141 LHYVVRMOQURJES-RONKMWSCSA-N 330.475 5.781 50 40 EKGB Cc1ccsc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 13029433 SYBKJWUMEIFCFU-MDWZMJQESA-N 342.876 5.898 50 40 EKGB Cc1cc(C)c([P@@](=O)(Cl)C(Cl)=C(Cl)Cl)c(C)c1 103437705 JNJXDUFRYIDWLH-KRWDZBQOSA-N 331.994 5.597 50 40 EKGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2cccc(Cl)c2)cc1 408955127 WMSNBPVEXDLLAM-VKAVYKQESA-N 347.849 5.261 50 40 EKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 12462007 FWQNVFORVGVQKN-BOPFTXTBSA-N 332.428 5.191 50 40 EKGB C[C@@H]1CCC/C(=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 27490378 HVLIURVQVZZHHV-GASGDFKYSA-N 328.868 5.951 50 40 EKGB CCCCCCCCCCCC[S@](=O)C[C@H](Cl)CCl 100245933 JIDSQDYITUKUPT-DNVCBOLYSA-N 329.377 5.502 50 40 EKGB N#C/C(=C/c1cccc2ccccc12)c1nc(-c2cccs2)cs1 3899040 CHXCZTRXKUDEJH-WJDWOHSUSA-N 344.464 6.089 50 40 EKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl 7157835 WQGSYUFDEMHNCJ-UKTHLTGXSA-N 345.229 5.156 50 40 EKGB O=C(N/N=C/c1cccc(Cl)c1)c1cc2c(ccc3ccccc32)o1 368177 LQDYYWCUIWMWCP-WSDLNYQXSA-N 348.789 5.003 50 40 EKGB CC(C)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl 2848253 KLRPSRIXXCDCBU-OQLLNIDSSA-N 332.230 5.845 50 40 EKGB CO[C@@H](C(=O)NN=C1CCCCCCCCCCC1)c1ccccc1 5356568 HCXLDMVGUNWCIR-HXUWFJFHSA-N 344.499 5.151 50 40 EKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OC 408549442 SVSXQOYRAAJGNV-NVMNQCDNSA-N 349.817 5.575 50 40 EKGB ClC[C@@H](Cl)CCCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100369894 UKWMKFFMXRNLCE-BDAKNGLRSA-N 348.956 6.151 50 40 EKGB C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 4160064 YDHACDOJGLNIGP-HAHDFKILSA-N 348.833 5.161 50 40 EKGB CC1=C(C#N)C(c2c3ccccc3cc3ccccc23)C(C#N)=C(C)N1 33697851 ITMJFAIZTQQPEY-UHFFFAOYSA-N 335.410 5.275 50 40 EKGB CC1(C)CCCC(C)(C)[C@]23OO[C@]12[C@]12O[C@@]31C(C)(C)CCCC2(C)C 100349956 RKFADFVDGZXURF-YSFYHYPLSA-N 348.527 5.420 50 40 EKGB ClCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 3188548 PUMPQNHDSAQION-UHFFFAOYSA-N 347.643 5.041 50 40 EKGB C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)C[C@H]1O[Si](CC)(CC)CC 195822678 WFVNYDIBPZQLQR-HLAWJBBLSA-N 336.636 7.116 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C)n2)cc1 4853361 JFZWIODBDGWANT-GZTJUZNOSA-N 332.428 5.191 50 40 EKGB CCCCCCCCCCCCCC[C@H](CCl)OCCCl 100924681 CPVWOVJPRYUIFT-GOSISDBHSA-N 339.391 6.940 50 40 EKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 6410860 RHXALCVHGVQSKR-HMMYKYKNSA-N 348.405 5.539 50 40 EKGB N#C/C(=C\c1ccc(-c2cccs2)cc1F)c1nc2ccccc2[nH]1 96297977 DPWJKKPRNKIVEU-XNTDXEJSSA-N 345.402 5.495 50 40 EKGB CCCCC[C@@H](/C=C/C=C/CCCCCCCCCC(=O)O)OO 100288226 KEXNVBSLXJLOPR-GCYCGEEZSA-N 340.504 6.133 50 40 EKGB FC(F)(F)[C@@H](Cl)/C(=C\Oc1cccc(Cl)c1)c1ccccc1 165374 FVYWMGJCGMIVLX-LTBFUDJGSA-N 347.163 5.930 50 40 EKGB CC(C)c1ccc([C@H]2C3=C(CCCCC3)C(C#N)=C(N)[C@@H]2C#N)cc1 16575849 GKABHDYYLWCAIB-RTWAWAEBSA-N 331.463 5.044 50 40 EKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(\C#N)c2ccccc2)cc1OC 35401405 RIFNFWDXENSGAQ-NGWPFTMJSA-N 341.838 5.590 50 40 EKGB ClC[C@@H](Cl)CCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100369877 FLPYBWOIOHZULG-SFYZADRCSA-N 334.929 5.761 50 40 EKGB Cc1ccc(Cn2cc(/C=C(/C#N)c3ccccc3)c3ccccc32)cc1 409366498 VIUSKABVEJZMFG-JCMHNJIXSA-N 348.449 6.062 50 40 EKGB O=C(/C=C/c1ccccc1)Nc1ccccc1SCCCCl 1650264 WWXCUUWPGWXVQX-VAWYXSNFSA-N 331.868 5.060 50 40 EKGB O=C(N/N=C(\c1ccccc1)C1CCCCC1)c1ccc(Cl)cc1 6829379 YHANGJRPWJKJQV-ZBJSNUHESA-N 340.854 5.054 50 40 EKGB N#C/C(=C/c1ccsc1)c1nc2cc(C(F)(F)F)ccc2s1 96947747 NUMMYMZMWVAYBP-YHYXMXQVSA-N 336.363 5.441 50 40 EKGB ClC[C@@H](Cl)CCCCC[C@H](Cl)CC(Cl)(Cl)Cl 100369892 UKWMKFFMXRNLCE-IUCAKERBSA-N 348.956 6.151 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 222098136 ZJGPIZAKXZDWCZ-LGMDPLHJSA-N 344.370 5.211 50 40 EKGB Cc1c(C(=O)[C@H](Cl)c2ccccc2)sc2ccc(Cl)cc12 575362403 YSTSQDMSDDBWIJ-OAHLLOKOSA-N 335.255 6.026 50 40 EKGB CCc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)cc1 212121011 NUBUSDWXDSDKBM-RAXLEYEMSA-N 345.229 5.101 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1Cl 409010287 BUCKACNPJUGQJZ-WPBJZHHJSA-N 346.257 6.235 50 40 EKGB Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(F)cc3)o2)cc1 15226994 OBSFNGJYQBDRRO-VBKFSLOCSA-N 335.403 5.943 50 40 EKGB ClCCN(CCCl)[C@@H](c1ccccc1)c1ccc(Cl)cc1 1653019 JBOWLWDJJDXHGW-KRWDZBQOSA-N 342.697 5.209 50 40 EKGB C=CCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104056927 KPTRSNGFWOYIGU-UHFFFAOYSA-N 346.454 5.069 50 40 EKGB CC(C)OP(=O)(OC(C)C)/C(C#N)=C/c1c[nH]c2ccccc12 1637659 NQAGBAGRZOZXKP-OQLLNIDSSA-N 332.340 5.075 50 40 EKGB CCCCCCCCCC[C@H](Br)CBr 2567857 HBRJEAWYCNGOSP-LBPRGKRZSA-N 328.132 5.676 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 96835840 NAMUSADQVUHRGF-PDGQHHTCSA-N 334.369 5.437 50 40 EKGB C1=C([PH](c2ccccc2)(c2ccccc2)c2ccccc2)CCCC1 104198230 QGDXMKNOPUVCKK-UHFFFAOYSA-N 344.438 5.171 50 40 EKGB O=C(Nc1cccc(Cl)c1)NN(c1ccccc1)c1ccccc1 6927513 XHMXRWPQTPHECY-UHFFFAOYSA-N 337.810 5.215 50 40 EKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccccc4)o3)[nH]c2c1 33417532 BPAXOUJPFZMRMB-VBKFSLOCSA-N 325.371 5.196 50 40 EKGB N#C/C(=C\c1cc(-c2ccccc2)cs1)c1nc2ccccc2s1 11690335 RMZHQDFRBOOORF-XNTDXEJSSA-N 344.464 6.089 50 40 EKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 408884263 WMBQXFKBLVXMQC-GZTJUZNOSA-N 338.838 5.318 50 40 EKGB C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccccc2)cc1Cl 409044861 DTOZQBSYYCGAKS-OQLLNIDSSA-N 328.198 5.070 50 40 EKGB CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccccc1 409047183 NLSHQFNDPUQMOQ-OQLLNIDSSA-N 332.230 5.846 50 40 EKGB Cc1cc2nc(/C(C#N)=C\c3ccc(OC(C)C)cc3)[nH]c2cc1C 169962451 YIWBMPOWOJVZFR-BOPFTXTBSA-N 331.419 5.031 50 40 EKGB CCCCCCCCCCCCS(=O)(=O)C(CCl)CCl 100241638 PFQNBECVIGEIMJ-UHFFFAOYSA-N 345.376 5.168 50 40 EKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)c1 408566113 DHWRCINTUIAHGY-XKZIYDEJSA-N 337.426 5.338 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 408599163 PMKQBEGAADSNTH-RVDMUPIBSA-N 340.209 6.318 50 40 EKGB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H](Cl)c1ccccc1Cl 162803 WYLHGBBULDRUQZ-ZDUSSCGKSA-N 348.151 5.277 50 40 EKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccccc2)cs1 2283777 HNZIBDQPXKNZAS-GHRIWEEISA-N 331.444 5.349 50 40 EKGB CCCCCCCCCCC[C@H](Cl)CC(Cl)(Cl)Cl 2539166 WBRZTHMGJFYZDL-ZDUSSCGKSA-N 336.174 7.275 50 40 EKGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1cccc2ccccc12 6415090 QWESTRAWJNMSLQ-PGMHBOJBSA-N 338.454 5.813 50 40 EKGB Cc1cc2nc(/C(C#N)=C/c3cccc(Cl)c3Cl)[nH]c2cc1C 6425816 ZVKUUBZMILTAJI-MDWZMJQESA-N 342.229 5.551 50 40 EKGB O=P(Cl)(Oc1ccccc1Cl)Oc1ccccc1Cl 6843953 ZLSGEMKKBUVQOM-UHFFFAOYSA-N 337.526 5.798 50 40 EKGB N#CC(=C1C=CN(c2ccccc2)C=C1)c1nc2ccccc2s1 57478238 JPALGUIPKYJNAC-UHFFFAOYSA-N 327.412 5.121 50 40 EKGB COc1ccc(/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1OC 408581207 VBAAJIHLZGMLDI-NTUHNPAUSA-N 334.202 5.075 50 40 EKGB Cc1ccnc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)c1 33671446 JNKZLIGISYNISO-PDGQHHTCSA-N 331.394 5.001 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3)n2)cc1 100159762 KKGPTGISRAJBFK-QGOAFFKASA-N 345.471 5.658 50 40 EKGB CCCCC/C=C/C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO 62227032 ZIOZYRSDNLNNNJ-DDMVFLPESA-N 336.472 5.685 50 40 EKGB C[C@@]12CCC[C@@H]1[C@H]1CC[C@H]3C[C@H](Br)CC[C@]3(C)[C@@H]1CC2 68569310 BJTCHUWBZZQPHW-GVIBCLJVSA-N 339.361 6.183 50 40 EKGB N#C/C(=C/c1c(Cl)ccc(Cl)c1Cl)c1nc2ccccc2[nH]1 11990326 YBQMEWCPLOVKRE-CLFYSBASSA-N 348.620 5.587 50 40 EKGB Cc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1Br 408598484 BIBRPLOPPCSXKT-AUWJEWJLSA-N 332.628 5.475 50 40 EKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 100142903 HBCMFVKKSWCFKB-SFQUDFHCSA-N 345.471 5.712 50 40 EKGB Cc1cc(/C=C(\C#N)c2ncc3n2CCCCC3)c(C)n1C1CCCC1 5072560 SLHWYUHQDRUYRB-CPNJWEJPSA-N 348.494 5.207 50 40 EKGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1cccc2ccccc12 408598558 DJIAFJQSUSHQRG-LFVJCYFKSA-N 338.410 5.147 50 40 EKGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408600968 HWHHPRPRAPUBSH-HNMKQIAWSA-N 348.446 5.026 50 40 EKGB COc1cc(C)c(/C=C(\C#N)c2ccc(Cl)cc2)cc1C(C)C 408852704 MQKNVTIFUVLMOM-LICLKQGHSA-N 325.839 5.845 50 40 EKGB O=C(CCl)N(CC1CCCCCC1)c1ccc(C(F)(F)F)cc1 199757099 AOCQTVDVFHWXMH-UHFFFAOYSA-N 347.808 5.248 50 40 EKGB O=C(c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Cl)c1ccccc1 575361250 VSFWUDRHEGLSQL-ZDUSSCGKSA-N 333.136 5.522 50 40 EKGB COc1cc(/C=C/C#N)ccc1OCc1ccc(Cl)cc1Cl 6229938 KGAPBOOYEXETME-NSCUHMNNSA-N 334.202 5.118 50 40 EKGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccccc1 408763121 RHTOWBPETOYTFR-XNTDXEJSSA-N 349.773 5.362 50 40 EKGB ClCCN(CCCl)c1ccc2c(c1)Cc1cc(Cl)ccc1-2 1694601 IDTBIDUQZGBHEE-UHFFFAOYSA-N 340.681 5.195 50 40 EKGB C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 12571563 ZMQFRAIHKDSTCG-HZHRSRAPSA-N 348.833 5.161 50 40 EKGB N#CC(C#N)=Cc1c(OCc2ccccc2Cl)ccc2ccccc12 59399053 JGTCTSNKXSMOLP-UHFFFAOYSA-N 344.801 5.503 50 40 EKGB C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NN(c1ccccc1)c1ccccc1)C2 100261557 HVWBUTCMBXEGFB-FDDCHVKYSA-N 346.474 5.238 50 40 EKGB CC(C)(C)c1cc(C(C)(C)O)c2c(c1)C(C)(C)O[S@]2(C)Cl 104202638 QOBZDWDTMCTWQQ-UHFFFAOYSA-N 330.921 5.339 50 40 EKGB Cc1c(C=C(C#N)C#N)c2ccccc2n1Cc1ccc(Cl)cc1 408926293 MGZFRTZTMBVPGL-UHFFFAOYSA-N 331.806 5.082 50 40 EKGB C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)[C@H](Cl)c1ccccc1 1660093 NWBRQGGAKOXZHH-IERDGZPVSA-N 334.846 6.153 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1nc2ccccc2[nH]1 33394425 CXVQSJNLXCTCHP-KAMYIIQDSA-N 345.789 5.540 50 40 EKGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(F)cc2)c1C 4090210 DGKSWBRTYJCORB-STZFKDTASA-N 344.433 5.860 50 40 EKGB Cc1cc(N=C=O)ccc1Oc1ccc(SC(F)(F)F)cc1 34140308 CZFVFSDQWWYJCG-UHFFFAOYSA-N 325.311 5.367 50 40 EKGB Cc1cc2c(cc1/C=C(/C#N)c1ccc(F)cc1)[C@@H](C)CC(C)(C)N2C 208215670 DXAKEDWAXUFRKR-YLRSXTQRSA-N 348.465 5.920 50 40 EKGB CCCn1cc(/C=C(\C#N)c2cccc3ccccc23)c2ccccc21 6325142 MBMCAAXCZUVOID-XDJHFCHBSA-N 336.438 6.269 50 40 EKGB CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N/NC(=O)c1c[nH]c2ccccc12 6053397 URTXDKJXOBFYFB-ZCUNHDCGSA-N 349.478 5.212 50 40 EKGB Cc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)C[C@H]2C 104186459 RUGCBCBHQGLVKZ-LJQANCHMSA-N 331.419 5.281 50 40 EKGB COc1cc2c(cc1OC)[C@H](Cl)C(c1ccc(F)cc1)=C2Cl 5811994 YISDENDIROCIBC-INIZCTEOSA-N 339.193 5.244 50 40 EKGB N#C/C(=C\c1ccccc1OCCOc1ccccc1)c1ccccc1 26681011 VOVLUBXLVPNPBV-HEHNFIMWSA-N 341.410 5.209 50 40 EKGB CCn1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c2ccccc21 169960615 IDCWFIHTPMEBRA-WJDWOHSUSA-N 340.430 5.219 50 40 EKGB CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2C(C)=CC1(C)C 208505373 ZMFHFNYALDPQEU-DEDYPNTBSA-N 328.459 5.773 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1nc2ccc(F)cc2[nH]1 408568308 SMXSEPBIUCCRMM-LCYFTJDESA-N 347.324 5.165 50 40 EKGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)c1ccccc1 408812159 BNNAFFURIPSMRE-XSFVSMFZSA-N 345.829 5.983 50 40 EKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)c([N+](=O)[O-])c1 409361120 GRXRWNXMSDKFPN-VBKFSLOCSA-N 330.343 5.227 50 40 EKGB C[C@@H](Cl)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358859 GUEJRGNIDYHJBD-MRXNPFEDSA-N 335.834 5.966 50 40 EKGB N#CC(C#N)=Cc1cc(Cl)ccc1OCc1cccc2ccccc12 1240278 FBMWDVOMAUXTHT-UHFFFAOYSA-N 344.801 5.503 50 40 EKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1 33919295 LMSPDJWGBKBPST-FYJGNVAPSA-N 340.426 5.509 50 40 EKGB N#C/C(=C/c1cccn1-c1ccccc1)c1cccc(C(F)(F)F)c1 408859044 VPBKWQGNXHCVQM-SSZFMOIBSA-N 338.332 5.560 50 40 EKGB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N/NC(N)=O 17109922 HUFFLSJWXYHJBV-VJVOSHJKSA-N 342.270 5.001 50 40 EKGB COc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)c(OC)c1C 408549943 BXWVOUQQKJLERV-MOSHPQCFSA-N 329.399 5.230 50 40 EKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1O 408581249 VKDNMNCCNASBTP-KPKJPENVSA-N 334.202 5.162 50 40 EKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1 6473723 JOLMCJCXZJDNJD-PXLXIMEGSA-N 325.411 5.638 50 40 EKGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 6496564 XTGRDPJDNFWAFV-XNTDXEJSSA-N 334.762 5.466 50 40 EKGB CCSC1=C(C#N)C2(CCCCC2)C2=C(O)CC(C)(C)CC2=N1 100652143 YCMHTADKPPFFHW-UHFFFAOYSA-N 330.497 5.512 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3)n2)cc1 4817087 ZWSBCLSQAZYYTN-AQTBWJFISA-N 345.471 5.658 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nc2ccccc2[nH]1 12363103 MYNPEBUKACSQEN-ACCUITESSA-N 329.334 5.026 50 40 EKGB O=[N+]([O-])c1ccc(S(F)(F)(F)(F)F)cc1C(Cl)Cl 103860474 SJKDGWSQHQSZHT-UHFFFAOYSA-N 332.077 5.728 50 40 EKGB CCN1c2cc(C)c(/C=C(\C#N)c3ccccc3)cc2C(C)=CC1(C)C 208522280 GLLUVQVLLPJGTQ-FYJGNVAPSA-N 342.486 6.081 50 40 EKGB Cc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1 560391 HHABYGHLWOYIDN-KGENOOAVSA-N 343.401 5.777 50 40 EKGB CC/C=C/C/C=C/C[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)OO 103647902 HDMYXONNVAOHFR-AXPVODLBSA-N 334.456 5.461 50 40 EKGB N#C/C(=C/c1cc2c(cc1Cl)OCO2)c1ccc2ccccc2c1 107666072 QJPDFSOXGFTXAS-IUXPMGMMSA-N 333.774 5.286 50 40 EKGB O=C(c1cc(OC(F)(F)F)ccc1Cl)[C@@H](Cl)c1ccccc1 575361566 RDABUSPUWXMULP-ZDUSSCGKSA-N 349.135 5.401 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1C 3220035 CYUKMGWAZUPOIC-QGOAFFKASA-N 332.447 5.147 50 40 EKGB N#C/C(=C\c1c(F)cccc1N1CCCC1)c1nc2ccccc2s1 6347132 QFNNJVKGXHPQBX-WYMLVPIESA-N 349.434 5.100 50 40 EKGB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)CCl)c3ccccc32)cc1 2739855 HKCKZBSPJCWXKK-OAQYLSRUSA-N 341.882 5.055 50 40 EKGB N#C/C(=C\c1ccc(Sc2ccccc2)o1)C1Nc2ccccc2N1 4090300 PJGSNFRFXUSDAG-WYMLVPIESA-N 345.427 5.201 50 40 EKGB N#C/C(=C/c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1 13408154 GHUOFVCXGZTMII-ZROIWOOFSA-N 340.810 5.667 50 40 EKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)c1 59474938 UJBRXLUZFAFMPY-ZSOIEALJSA-N 345.229 5.156 50 40 EKGB CCCCCCCCCCCCC#CC(C)(C)OOC(C)(C)CC 97950491 IJNGMZYOBNIIMY-UHFFFAOYSA-N 338.576 7.216 50 40 EKGB CC(C)(C)[Si](C)(C)O[C@H]1CCOc2ccc(Br)cc21 261508944 YMWUULTZIYURCW-AWEZNQCLSA-N 343.337 5.295 50 40 EKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)c1ccc2c(c1)OCO2 409361402 HDFAGJQDHLKIIW-UNOMPAQXSA-N 349.389 5.786 50 40 EKGB CN(C)P(=O)(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 33354630 WZKKIOMXXGIPAW-UHFFFAOYSA-N 344.182 5.187 50 40 EKGB Cc1cc2nc(/C(C#N)=C\c3ccccc3OC(C)C)[nH]c2cc1C 33567286 XDMCQMRRWRZMBR-BOPFTXTBSA-N 331.419 5.031 50 40 EKGB COc1ccc(/C(C#N)=C/c2c(Cl)cccc2Cl)cc1OC 408579398 GXBFDOYRPUVPQL-XYOKQWHBSA-N 334.202 5.075 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccccc1 408775920 WUCANXTUZCSFEY-UNOMPAQXSA-N 332.834 5.812 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(OC)cc1 408581145 GQTUAFAVYYMHGY-NBVRZTHBSA-N 329.399 5.311 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1 409389520 BUHIGMGNVSHCJK-MOSHPQCFSA-N 329.374 5.469 50 40 EKGB CCC(C)(C)c1ccc(OCCCC(=O)Cl)c(C(C)(C)CC)c1 2562556 WBQWCMNVBGTAAM-UHFFFAOYSA-N 338.919 5.986 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C\c3cccc(OC)c3)n2)cc1 6356355 BMVDJSGUPBJODS-WQRHYEAKSA-N 346.455 5.445 50 40 EKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2ccc(F)cc2)o1 408960583 MXKNZGYKLRWBHI-WJDWOHSUSA-N 347.345 5.157 50 40 EKGB O=C(CCCCCBr)c1ccc(-c2ccccc2)cc1 575357815 SQROCBLJCXIWAR-UHFFFAOYSA-N 331.253 5.492 50 40 EKGB N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 13143003 DPSQMRLRYONVQW-GUSDSWBTSA-N 348.858 6.084 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc2ccc(F)cc2[nH]1 408567443 DWKGCUDGMZRCJU-UVTDQMKNSA-N 329.334 5.026 50 40 EKGB O=C(c1cccc(OC(F)(F)C(F)F)c1)[C@@H](Cl)c1ccccc1 575360617 JNIUXUCUVFCEQK-ZDUSSCGKSA-N 346.707 5.086 50 40 EKGB Cc1ccc2cccc(SSc3cccc4ccc(C)nc34)c2n1 507402 LOUQYIXSSXSPAA-UHFFFAOYSA-N 348.496 6.199 50 40 EKGB COc1cc(Cl)c(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 586032 YLKVOFQBJNCKMP-NTUHNPAUSA-N 334.202 5.075 50 40 EKGB N#C/C(=C\C1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 34285 IUBTZWGYPQPPEG-XNTDXEJSSA-N 328.868 5.951 50 40 EKGB CCC(C)(C)c1ccc(O)c(CN(C[C@H](C)Cl)C[C@H](C)Cl)c1 1724250 SRXGGINKCSIUPX-KBPBESRZSA-N 346.342 5.136 50 40 EKGB Cc1cc2nc(/C(C#N)=C/c3c(C)n(C)c4ccccc34)[nH]c2cc1C 408857886 NIOSORQQBWJJHL-LFIBNONCSA-N 340.430 5.044 50 40 EKGB CCOc1cc(/C=C/C#N)ccc1OCc1ccc(Cl)cc1Cl 6351080 CBUINJIKXACSCB-ONEGZZNKSA-N 348.229 5.508 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)c1 6255779 IOOPMKXPYKRKDT-AQTBWJFISA-N 343.386 5.067 50 40 EKGB Cc1cc(C)c(NNC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 6418539 VTTMKKNCIUIFCO-UHFFFAOYSA-N 338.238 5.067 50 40 EKGB CCCCCCCc1ccc(C(=O)[C@H](Cl)c2ccccc2)cc1 575357582 RKOKPIZHLAUPHF-HXUWFJFHSA-N 328.883 6.362 50 40 EKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)c1 6266279 LGEBIJGZQPSITK-MOSHPQCFSA-N 344.433 5.914 50 40 EKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)c1ccc(C(=O)O)cc1 408545179 ZQIGQDLLMLNPRV-ZHZULCJRSA-N 349.389 5.755 50 40 EKGB COc1cc(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)c1 571772 NZIQCNICSIRAJD-AWNIVKPZSA-N 348.627 5.175 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1OC 409390604 GBRJARTZCJVRBN-AYCSXLNKSA-N 325.383 5.076 50 40 EKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(C)cc1 135032 FSFZUNUXKJKZCP-UDWIEESQSA-N 342.851 5.017 50 40 EKGB C[C@@H]1CC[P+](c2ccccc2)(c2ccccc2)Cc2ccccc21 104186464 OYXJKZRLVNLLQI-LJQANCHMSA-N 331.419 5.362 50 40 EKGB Cc1cc2nc(/C(C#N)=C\c3cccn3-c3ccccc3)[nH]c2cc1C 408855795 FHMQFKJWMZIGEZ-LGMDPLHJSA-N 338.414 5.035 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1706649 SRQUSBDYBAJSRZ-XSFVSMFZSA-N 326.355 5.326 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\C=C\c3ccccc3)n2)cc1C 17053251 VVYVKGZBDXNEOO-CRVGVPJFSA-N 342.467 6.047 50 40 EKGB O=C(CCCCCl)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361102 QRCHHBKJHNIESZ-UHFFFAOYSA-N 332.671 5.316 50 40 EKGB N#CC1=C(N)OC2=C(CCC/C2=C/c2ccccc2)[C@@H]1c1ccccc1 48911 NFPMGUPGOPWSQV-NUVSWBFWSA-N 340.426 5.016 50 40 EKGB O=C(CCl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1586536 OCCPWFCBTICIIN-UHFFFAOYSA-N 342.820 5.098 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 16771371 ITVLADNVVXRMJH-UVTDQMKNSA-N 340.209 6.318 50 40 EKGB Cc1cccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 44827309 BJPQLZUFAVJYGC-CXUHLZMHSA-N 347.399 5.091 50 40 EKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)cc1[N+](=O)[O-] 409360298 DPJDVRWDTYZKKC-BOPFTXTBSA-N 330.343 5.227 50 40 EKGB CC(C)(CCl)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575360526 FUDNHYOIOQEPPD-UHFFFAOYSA-N 332.671 5.172 50 40 EKGB O=C(c1cc(Cl)cc(Cl)c1Cl)[C@H](Cl)c1ccccc1 575361474 JACQBIXFFSKFER-GFCCVEGCSA-N 334.029 5.810 50 40 EKGB FC(F)(F)c1ccc2c(c1)N(CCCl)c1ccccc1S2 1697167 JGIPVPVKVQLMAA-UHFFFAOYSA-N 329.774 5.547 50 40 EKGB O=C(CCCCCBr)c1ccc(Oc2ccccc2)cc1 140335141 XWZKQDZBNHLIDU-UHFFFAOYSA-N 347.252 5.617 50 40 EKGB C=CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC 3214408 ZGIWYVSDISCSGY-SFQUDFHCSA-N 339.822 5.368 50 40 EKGB CCOc1cc(C)c(/C=C(\C#N)c2ccc(Cl)cc2)cc1C(C)C 408859949 WACUJNMLSJSXOZ-WOJGMQOQSA-N 339.866 6.235 50 40 EKGB C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1 4934225 INWWJQVOCCEROI-NBFDZPTDSA-N 342.398 5.102 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cccnc1 6275734 SDABCEKRXTZEBF-ZDLGFXPLSA-N 333.822 5.207 50 40 EKGB N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O 16488031 DTGGJUIFYJXAJI-OBGWFSINSA-N 340.382 5.148 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)cc(C)c3)n2)cc1 503900 PUDCUQJOECQVLS-LDADJPATSA-N 345.471 5.712 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)cc3)n2)c(C)c1 6472881 ZLZVWXNTXUEWFY-YBEGLDIGSA-N 332.428 5.197 50 40 EKGB O=C(CCCCBr)c1c2ccccc2cc2ccccc12 575356932 MXUFAHMJNZHBDM-UHFFFAOYSA-N 341.248 5.741 50 40 EKGB O=C(Cl)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 8729535 VVOAVSMGNHOEOI-ZZXKWVIFSA-N 346.007 5.141 50 40 EKGB COc1cccc(-c2csc(/C(C#N)=C\C=C\c3ccccc3)n2)c1 16960571 FDSCTLBFDDGZAG-ZYCDCXAISA-N 344.439 5.439 50 40 EKGB Cn1c(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)nc2ccccc21 20823413 SDFIWKQAKRMJME-NTCAYCPXSA-N 343.361 5.037 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 408578897 BPDVGBCHYZDSFA-BJMVGYQFSA-N 343.040 6.364 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1 409365150 QBYUUSOLCGLMBT-GDNBJRDFSA-N 349.773 5.362 50 40 EKGB N#C/C(=C/C=C\c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 5641037 DPSQMRLRYONVQW-XWSNBJDESA-N 348.858 6.084 50 40 EKGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(-c2ccccc2)cc1 12362499 LMRVAEZFJCWBRC-HKOYGPOVSA-N 342.442 5.092 50 40 EKGB O=C(NN=C1CCCCC1)c1cc(-c2cccs2)nc2ccccc12 1500696 NASDIPKRTGOHHH-UHFFFAOYSA-N 349.459 5.013 50 40 EKGB CCc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 143409 VMQCBPHEOKHUDC-DEDYPNTBSA-N 332.447 5.227 50 40 EKGB N#CC(C#N)=C(Nc1ccccc1)SCc1c(F)cccc1Cl 6392985 MULLSVSETAUNFI-UHFFFAOYSA-N 343.814 5.083 50 40 EKGB Cc1cc(SSc2cc(C)nc3ccccc23)c2ccccc2n1 46085413 ZCKMNGSOHYMMFX-UHFFFAOYSA-N 348.496 6.199 50 40 EKGB O=C(CCCC[C@H]1CCSS1)N1CCC(c2ccccc2)CC1 43753254 KGVTXTMRXRRETG-SFHVURJKSA-N 349.565 5.107 50 40 EKGB biogenic CCCCCCCCCCC(=O)N/N=C(\C)c1ccc(C)cc1C 97965574 AMLRNEBLTPAAEK-ZBJSNUHESA-N 330.516 5.674 50 40 EKGB CC1(C)CCCC(C)(C)[C@]23O[C@@]12[C@]12OO[C@@]13C(C)(C)CCCC2(C)C 100349959 RKFADFVDGZXURF-MYGLTJDJSA-N 348.527 5.420 50 40 EKGB CC(C)COc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1 408549481 UHMWLGIECJQNET-XKZIYDEJSA-N 327.427 5.939 50 40 EKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccccc3)cc2)cc1 409362631 JQRGKPGXLGKEFX-JCMHNJIXSA-N 325.411 5.638 50 40 EKGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)C1 4595432 RLFAOMQSVJUXMG-WZFMIUBLSA-N 344.458 5.372 50 40 EKGB Cc1ccc(N/C=C(\C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)cc1 5602063 OQKGCROQLDFOIY-NBVRZTHBSA-N 347.462 5.231 50 40 EKGB O=C(CCCCBr)c1ccc(OCc2ccccc2)cc1 382701207 OMVCZYNBWLDSAY-UHFFFAOYSA-N 347.252 5.014 50 40 EKGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)c1cccc(F)c1 409391173 HTMVIIPVTQGWKL-UNOMPAQXSA-N 347.364 5.608 50 40 EKGB CCC(/C=C/c1ccccc1)=N/NC(=O)c1ccc(Cl)c(Cl)c1 5733979 JAKLJHAKIBFWNU-KEVQCPTFSA-N 347.245 5.203 50 40 EKGB CC(C)(C)[C@H]1CC(C(F)(F)F)(C(F)(F)F)O[P@](=O)(Cl)O1 95704224 OFNLVYSEXFAWSB-IXMBBWDASA-N 348.607 5.048 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccccc1 409364954 PLXAPHMBOPLLBC-UVTDQMKNSA-N 334.306 5.058 50 40 EKGB Cc1cccc(C)c1N/C(S)=C(/C#N)c1nc2ccccc2s1 96996698 XLGOFNVJGMSLJW-GHRIWEEISA-N 337.473 5.147 50 40 EKGB C[C@H](COOC(C)(C)C)c1cccc([C@H](C)COOC(C)(C)C)c1 2388344 LABVSEXGUJJTOX-HZPDHXFCSA-N 338.488 5.387 50 40 EKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OC(C)C 6159884 PWNRHDGISSIFMO-ZSOIEALJSA-N 345.801 5.339 50 40 EKGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2ccccc2c1 5370273 MGJLAFRDEPUNOO-LFVJCYFKSA-N 344.458 5.291 50 40 EKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1 211571042 HZNOMLIPKLVUBI-RGEXLXHISA-N 348.446 5.028 50 40 EKGB N#C/C(=C\c1ccccc1OCc1ccccc1)c1cccc(F)c1 1064219 DCPZHDQQGXRRAN-DEDYPNTBSA-N 329.374 5.469 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc12 6155582 KBGQHXUGMAFHIG-ATVHPVEESA-N 344.370 5.211 50 40 EKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)c1 33285682 NWHHOWAKUUVGLK-LCYFTJDESA-N 345.229 5.156 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C)n2)cc1 6168883 LXPRCLKZIWPMTB-XDHOZWIPSA-N 330.456 5.745 50 40 EKGB Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)s1 4853286 BFNXGSYHBQDGBW-JYRVWZFOSA-N 326.421 5.383 50 40 EKGB C#CCn1c(C)c(/C=C(\C#N)c2ccc(Cl)cc2)c2ccccc21 495974 DJEYOUJRWWLRPX-GHRIWEEISA-N 330.818 5.301 50 40 EKGB CC(C)(C)c1ccc(-c2csc(NC(=O)CCCCl)n2)cc1 3178644 YFYAJWWQNPHIJP-UHFFFAOYSA-N 336.888 5.065 50 40 EKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 6478064 PIHNSSDMAIDVGS-WQRHYEAKSA-N 346.455 5.500 50 40 EKGB CCCCCC1=CCC/C1=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2 7191677 MBJNBNBLKOCIRP-HGNXGAGXSA-N 344.524 5.259 50 40 EKGB N#C/C(=C\Nc1ccccc1F)c1nc(-c2ccc(F)cc2)cs1 15659395 MMTLQMMRGZFDHU-JLHYYAGUSA-N 339.370 5.065 50 40 EKGB COc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Br)cc1 408580224 NCUZZASVTUWOOP-MDWZMJQESA-N 348.627 5.175 50 40 EKGB CCCCCCCC/C=C\CCCCCCC1=C(C)C(=O)OC1=O 14276305 GKEHXKQBMVJVBA-KHPPLWFESA-N 334.500 6.034 50 40 EKGB in-vitro N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 33552781 WPFRYWVUHLTDRQ-PDGQHHTCSA-N 342.354 5.451 50 40 EKGB C[C@@H](Br)CCc1ccc(CC[C@@H](C)Br)cc1 68563240 QFWLVUKMXQHLHF-VXGBXAGGSA-N 348.122 5.119 50 40 EKGB BrCc1ccc(-c2nc(-c3ccccc3)cs2)cc1 72284127 KMJNTMBWYKNCRQ-UHFFFAOYSA-N 330.250 5.372 50 40 EKGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1cccc(Cl)c1 409073268 GOEZNKJWNIIFFS-YBEGLDIGSA-N 326.802 5.143 50 40 EKGB O=P(OCCCCCl)(OCCCCCl)C(Cl)Cl 1704305 RLLFPOCMJUKVKK-UHFFFAOYSA-N 346.018 5.012 50 40 EKGB CCCc1ccc(-c2ccc(C(=O)[C@@H](Cl)c3ccccc3)cc2)cc1 575358775 CKAQXKCHAPUKKS-QFIPXVFZSA-N 348.873 6.469 50 40 EKGB CCOc1ccc(Cl)cc1/C=C(/C#N)c1cccc2ccccc12 6355393 UGXVEEYWKSIDHL-ATVHPVEESA-N 333.818 5.956 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1 5336803 SHYBENQCBKOVHD-UYRXBGFRSA-N 343.386 5.067 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OC)n2)cc1 6450982 ICUXBCREGXOXHC-LDADJPATSA-N 346.455 5.445 50 40 EKGB C=CCn1c(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 409344924 JOLRNBPXEXHHQH-LGMDPLHJSA-N 343.386 5.108 50 40 EKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC 409394165 WQSSNGQEOJPEKZ-NVNXTCNLSA-N 345.801 5.341 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccccc1 408737632 FIGDPTLJPIFQHD-UYRXBGFRSA-N 332.834 5.812 50 40 EKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2cccc(F)c2)c1C 409393611 RHLYNKPZPAKPFB-MTJSOVHGSA-N 344.433 5.914 50 40 EKGB Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1 560389 RAMIZDZSXQGVHB-KGENOOAVSA-N 343.401 5.777 50 40 EKGB Cc1ccc2c(c1)N(CCCl)c1c(ccc3ccccc13)S2 1697166 QGYHYHCYQKDWOB-UHFFFAOYSA-N 325.864 5.990 50 40 EKGB COc1ccc2ccccc2c1/C=C(\C#N)c1nc2cc(C)ccc2[nH]1 5285962 CKBWIUHNVRQPGJ-FOWTUZBSSA-N 339.398 5.097 50 40 EKGB C[C@@H]1Cc2cc(/C=C(\C#N)c3ccc(Cl)cc3Cl)ccc2O1 10298610 WCPGYMSSUKCPPR-GYBQTFJISA-N 330.214 5.381 50 40 EKGB Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 23077562 ABNGWFBVIFFUNE-MDWZMJQESA-N 344.361 5.688 50 40 EKGB N#CSc1ccc(Oc2ccc(Cl)cc2)cc1Br 26508303 YCSRDLMFRAIXAI-UHFFFAOYSA-N 340.629 5.468 50 40 EKGB ClC[C@@H](Cl)CCCC[C@H](Cl)CC(Cl)(Cl)Cl 100369872 FLPYBWOIOHZULG-YUMQZZPRSA-N 334.929 5.761 50 40 EKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC 408580689 QWQJPHWWOVQFTG-LICLKQGHSA-N 339.822 5.286 50 40 EKGB ClC[C@H](Cl)CCCCC[C@H](Cl)CC(Cl)(Cl)Cl 2539152 UKWMKFFMXRNLCE-DTWKUNHWSA-N 348.956 6.151 50 40 EKGB CCCOc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1OC 6324377 FQZCPUBMSDKMMV-XMHGGMMESA-N 343.426 5.701 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc(O)c2ccccc2n1 96925782 UIEVHFJMNAUEEO-RGEXLXHISA-N 349.393 5.067 50 40 EKGB CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc21 208440715 XODGFYKQLPYFRY-WQRHYEAKSA-N 332.422 5.522 50 40 EKGB CC(C)Oc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1 144431 ZEGHMLPOOYBNRI-CPNJWEJPSA-N 348.446 5.143 50 40 EKGB Cc1ccsc1/C=C(C#N)\C(O)=N\c1ccc(Cl)cc1Cl 59117351 UPWUACFYPVNAMU-POHAHGRESA-N 337.231 5.559 50 40 EKGB CCC/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97971816 MHYQSADPNPEGSV-LNKIKWGQSA-N 345.446 5.337 50 40 EKGB CCCCCCCCCCCCCC[C@@H](CCl)OCCCl 100924679 CPVWOVJPRYUIFT-SFHVURJKSA-N 339.391 6.940 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc(F)cc2)cc1Cl 409013568 MUFWZTHEAVTPEN-WJDWOHSUSA-N 336.797 5.642 50 40 EKGB CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 4310042 MXRWWAWEBWUKHS-NTEUORMPSA-N 337.810 5.068 50 40 EKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Cl)c1O 408599174 PPNKJWQKTLZTRG-MLPAPPSSSA-N 334.202 5.162 50 40 EKGB O=C(c1ccc(SC(F)(F)F)cc1)[C@H](Cl)c1ccccc1 575361139 RWMMZTCPBSIVSC-CYBMUJFWSA-N 330.758 5.461 50 40 EKGB N#C/C(=C/c1ccco1)c1nc(-c2ccc(OC(F)F)cc2)cs1 96794864 BZBVDBBOXQXZII-WQLSENKSSA-N 344.342 5.069 50 40 EKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc2ccccc12 5792385 SWWJXCZGQNDTOG-SFQUDFHCSA-N 346.817 5.347 50 40 EKGB CC(C)[Si](OCCc1ccc(C(=O)O)c(F)c1)(C(C)C)C(C)C 219798972 TUTRCDSLLYWZMR-UHFFFAOYSA-N 340.511 5.259 50 40 EKGB CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc2ccccc2c1 33642042 NIRBYKWHKCXCAK-XDHOZWIPSA-N 333.818 5.956 50 40 EKGB CC/C=C/C[C@@H](/C=C/C=C/C/C=C/C/C=C/CCCC(=O)O)OO 103647894 FPMFSFWYWZLDKP-MULDSCIVSA-N 334.456 5.461 50 40 EKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OC 560413 WQHKRILRRJGRCK-CXUHLZMHSA-N 327.811 5.120 50 40 EKGB CCCOc1cccc(/C=C(\C#N)c2ccc(Br)cc2)c1 408579216 DUVAHPFVMDWEAX-LFIBNONCSA-N 342.236 5.302 50 40 EKGB N#C/C(=C/c1ccc(Br)s1)c1ccc2ccccc2c1 108001503 FKQFODFYVYBBBT-GDNBJRDFSA-N 340.245 5.728 50 40 EKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCCCCCC1 59401494 ZDPOQAKIEBVBBV-CYBMUJFWSA-N 338.904 5.037 50 40 EKGB Cc1ccc(C)c(P(c2cc(C)ccc2C)c2cc(C)ccc2C)c1 59439988 KAAYGTMPJQOOGY-UHFFFAOYSA-N 346.454 5.295 50 40 EKGB O=C(Cl)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 217704434 VWCTVERZKUEWNV-FNORWQNLSA-N 341.621 5.351 50 40 EKGB CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 4843925 SVZFCFLXVZTMST-LDADJPATSA-N 346.455 5.581 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(C#N)cc1 409394203 XCDIGWZGTPTVTI-JAIQZWGSSA-N 341.389 5.169 50 40 EKGB ClC[C@H](Cl)CCCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100369898 UKWMKFFMXRNLCE-RKDXNWHRSA-N 348.956 6.151 50 40 EKGB O=C(Cl)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 6222040 GVZPQZGHFHVCJB-UHFFFAOYSA-N 342.622 5.363 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(O)cc1 409392482 MVJJKEOYDRSHJA-WQRHYEAKSA-N 332.378 5.003 50 40 EKGB CCCCCCCCOc1ccc(/C=C(\C#N)c2ccccn2)cc1 103012000 AIVIPPTVUVZSNN-LVZFUZTISA-N 334.463 5.885 50 40 EKGB O=C(Cl)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 218721106 WJBGHZMPBDRVDJ-UHFFFAOYSA-N 333.573 5.091 50 40 EKGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408600231 ALLYDNUVMFWNHD-HNMKQIAWSA-N 348.446 5.026 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1Cl 409391631 IZSLSSYBVADXMW-WPBJZHHJSA-N 329.802 5.721 50 40 EKGB N#C/C(=C\C=C(/Cl)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 2559197 RCOLNRJUUOXRPR-BOALDJJRSA-N 345.185 5.435 50 40 EKGB CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408601232 JGEIDRJWAKTODB-AMRJIULGSA-N 348.446 5.026 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1Cl 408735836 YGVRSUYZTFOOEG-GZTJUZNOSA-N 346.817 5.347 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)cc3)n2)cc1 12793607 FJCNBVDXEQZMLH-VCHYOVAHSA-N 327.412 5.054 50 40 EKGB O=C(O)CCCCCCCCCCCCCC[C@@H](Cl)CCl 95708039 ITMRXTONPIMQLR-MRXNPFEDSA-N 339.347 6.379 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1cccc(Cl)c1 408753891 KWYAPKLEGFGYRA-XDHOZWIPSA-N 332.834 5.812 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3)n2)cc1 98085929 HUEPFMKUIHFYQB-VBKFSLOCSA-N 347.443 5.104 50 40 EKGB C[C@H]1[C@@H](Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104342823 XQUNRGCTVRBIIY-FBGNMSRFSA-N 349.299 5.075 50 40 EKGB Cc1cc(N(CCCl)CCCl)ccc1/N=N/c1ccccc1 4773889 WRDRPCGBZOZRJP-QZQOTICOSA-N 336.266 5.694 50 40 EKGB CCN1C=CC=C/C1=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1 102923588 PLDZMZUNFJOXHT-BMRADRMJSA-N 339.851 5.104 50 40 EKGB O=C(c1ccc(OC(F)(F)C(F)F)cc1)[C@H](Cl)c1ccccc1 575361371 ZGOUHCSISIUMCO-CYBMUJFWSA-N 346.707 5.086 50 40 EKGB Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2Br 1662423 NRPNKDCNMFSJFC-CYBMUJFWSA-N 329.024 5.040 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C\C=C\c3ccc(C)o3)n2)cc1 14671762 USDUFMXWYPYPLL-RAHSSBTLSA-N 348.427 5.341 50 40 EKGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 33634957 RPSCCIJJSCAQBW-MFOYZWKCSA-N 334.762 5.466 50 40 EKGB CCC(C)(C)c1ccc(O)c(CN(C[C@H](C)Cl)C[C@@H](C)Cl)c1 1724248 SRXGGINKCSIUPX-OKILXGFUSA-N 346.342 5.136 50 40 EKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1 6345218 CMTLKFCHRCELRV-RGEXLXHISA-N 339.825 6.711 50 40 EKGB CC(C)n1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 409201908 OPMZRQAXRAFSDB-WJDWOHSUSA-N 331.375 5.195 50 40 EKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1O 495842 VNFDRDNRSNXLDB-QPEQYQDCSA-N 334.202 5.162 50 40 EKGB CCCCN1C(c2ccccc2)=CC(=C(C#N)C#N)C2=C1CCCC2 32657304 KQJSSPMXCLFWCS-UHFFFAOYSA-N 329.447 5.315 50 40 EKGB CCCCN1C(c2ccccc2)=CC(=C(C#N)C#N)[C@H]2CCCC[C@@H]21 96346830 WLMSSVFWJXMPLE-CTNGQTDRSA-N 331.463 5.046 50 40 EKGB COc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl 620035 SUXCUMYTWQHIHG-WUXMJOGZSA-N 338.621 5.720 50 40 EKGB CCCCCCCCCC[C@H](CCl)OCCOCCCl 100924685 UAHVXBQXNLCTGG-MRXNPFEDSA-N 327.336 5.397 50 40 EKGB ClCc1ccc2nc(-c3cccc(Br)c3)sc2c1 73635180 RNVACBWVSAEGAG-UHFFFAOYSA-N 338.657 5.465 50 40 EKGB CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 104105878 IHSVGQFAGFFKBX-MRXNPFEDSA-N 344.867 5.362 50 40 EKGB Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1 209490841 XCSUPFBMUNBNEW-PXLXIMEGSA-N 325.411 5.638 50 40 EKGB CC[Si](CC)(CC)O[C@H](Sc1ccc(C)cc1)C(F)(F)F 627281318 SRKJLJRVNAKXNR-CQSZACIVSA-N 336.495 5.997 50 40 EKGB C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)[C@@H](Cl)c1ccccc1 1660094 NWBRQGGAKOXZHH-HRAATJIYSA-N 334.846 6.153 50 40 EKGB O=C(c1ccc2ccccc2c1)[C@@H](Br)c1ccccc1 3106361 ZOCQWIVCHBCHFT-KRWDZBQOSA-N 325.205 5.159 50 40 EKGB biogenic C[C@H]1CCc2nc(/C(C#N)=C\c3ccc(Cl)cc3Cl)sc2C1 33890998 JMNAWIFZAZDKDD-BZPKPHBRSA-N 349.286 5.639 50 40 EKGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C 5434404 OIDXWRLKJLJKRZ-QGVNFLHTSA-N 334.931 5.762 50 40 EKGB Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCBr 1942116950 YLIAGFJVIVACTJ-UHFFFAOYSA-N 343.051 5.496 50 40 EKGB CCOP(=O)(CCCCCCCCCCCCCl)OCC 39337613 WZMDFSKFNGSXSG-UHFFFAOYSA-N 340.872 6.392 50 40 EKGB CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1 104113445 DFRFFONNFFKQIT-GOSISDBHSA-N 338.476 5.442 50 40 EKGB CC(C)c1cccc(N(CC2CCCCCCC2)C(=O)CCl)c1 228915390 HZVQZIZDTLHOSH-UHFFFAOYSA-N 335.919 5.742 50 40 EKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)cc1 17051778 HRAJHPQVKSUXEH-QGOAFFKASA-N 342.398 5.109 50 40 EKGB N#C/C(=C\c1cccn1-c1ccccc1)c1cccc(Br)c1 6400010 JGLUXVPASPMBGE-DTQAZKPQSA-N 349.231 5.304 50 40 EKGB Cn1c(/C(C#N)=C/c2cnc(C3CCCCC3)s2)nc2ccccc21 96057860 RTJYZPKTVCVXBV-RVDMUPIBSA-N 348.475 5.142 50 40 EKGB COc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Cl 409045648 GWJNSLZOMUMQDS-IZZDOVSWSA-N 345.185 5.207 50 40 EKGB CC1=CC(C)(C)N(C(=O)[C@H](Cl)c2ccccc2)c2ccccc21 527526 CIDWKQOJPCDXSS-GOSISDBHSA-N 325.839 5.195 50 40 EKGB Cn1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21 33599361 NDNLRSVJNXYRDC-GXDHUFHOSA-N 347.468 5.445 50 40 EKGB CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N\NC(=O)Nc1ccccc1 16916806 UVFFBWUHUQKZPG-HOLQBUJASA-N 325.456 5.123 50 40 EKGB CCn1c(/C(C#N)=C/c2ccc(C(C)(C)C)cc2)nc2ccccc21 5008946 VCYRIGBZMPAWBA-SAPNQHFASA-N 329.447 5.418 50 40 EKGB Cc1cc2nc(/C(C#N)=C\c3c(F)cccc3Cl)[nH]c2cc1C 50574793 JPBWLQYKIJKXOB-WQLSENKSSA-N 325.774 5.036 50 40 EKGB CC(C)(C)[C@@H]1CC(C(F)(F)F)(C(F)(F)F)O[P@](=O)(Cl)O1 95704223 OFNLVYSEXFAWSB-CKOOQGNFSA-N 348.607 5.048 50 40 EKGB C=Cc1c(C=O)ccc2c1cc(CO[Si](C)(C)C(C)(C)C)n2C 217988339 JNFCWKYOMWQBIM-UHFFFAOYSA-N 329.516 5.156 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc2ccc(F)cc2[nH]1 408570204 SRKXBIIGXXBTOV-PDGQHHTCSA-N 339.373 5.433 50 40 EKGB CC(C)Oc1ccc(/C=C(/C#N)c2ccc(C#N)cc2)c(OC(C)C)c1 582280 OOXFMWMDRUVGJY-JAIQZWGSSA-N 346.430 5.197 50 40 EKGB N#C/C(=C\c1cccn1-c1cccc(Br)c1)c1ccccc1 4108011 PRPQJHRYPXSHPZ-FOWTUZBSSA-N 349.231 5.304 50 40 EKGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)c1ccccc1F 6226767 FURFFPHJEJMMGC-AQTBWJFISA-N 347.364 5.608 50 40 EKGB COc1ccccc1C(=O)NN=C1CCCCCCCCCCC1 5746439 XXBPQSJBHCPUTB-UHFFFAOYSA-N 330.472 5.086 50 40 EKGB CNP1(NC)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1 104361442 FTEQCBRNDQYVBP-UHFFFAOYSA-N 336.855 5.233 50 40 EKGB CCCOc1ccccc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408579220 DVQZKJPIQSPXPA-GXDHUFHOSA-N 332.230 5.846 50 40 EKGB N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2ccc(F)cc2)cs1 4175242 SVWQEGDJSQLICK-JLHYYAGUSA-N 339.370 5.065 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C)n2)cc1C 13774218 RLHLNGIZHJJROY-PDGQHHTCSA-N 345.471 5.712 50 40 EKGB CC(C)c1ccc(N(CC2CCCCCCC2)C(=O)CCl)cc1 199757562 JITTZXAAHZLLGN-UHFFFAOYSA-N 335.919 5.742 50 40 EKGB N#C/C(=C/c1ccc(Br)cc1)c1ccc2ccccc2c1 408548579 JAFSEWIFTBIXKH-WQRHYEAKSA-N 334.216 5.666 50 40 EKGB CCOc1c(Cl)cc(/C=C(/C#N)c2cccc(F)c2)cc1Cl 409394380 ZREXNODLDOWDBS-MLPAPPSSSA-N 336.193 5.595 50 40 EKGB CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccccc2C(C)C)cc1 1912780 QEBVXZUWNUCCFV-NBVRZTHBSA-N 349.430 5.111 50 40 EKGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 5370269 RZMDJHMQZRGOET-LFVJCYFKSA-N 348.490 5.017 50 40 EKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(C)c1 100114172 VBKLNOSYZXQBRS-ATVHPVEESA-N 331.444 5.404 50 40 EKGB CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N/NC(=O)Nc1ccccc1 5482561 UVFFBWUHUQKZPG-GFVJCLIOSA-N 325.456 5.123 50 40 EKGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1 408759823 MIUGNPRJRYQPDX-LICLKQGHSA-N 332.790 5.039 50 40 EKGB CCOc1ccc(-c2csc(/C(C#N)=C\c3cccc(C)c3)n2)cc1 6355334 UBFHXCWDDMWRTJ-PDGQHHTCSA-N 346.455 5.581 50 40 EKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2cccc(F)c2)o1 409389475 BEHCWVLDSSYRLI-WJDWOHSUSA-N 347.345 5.157 50 40 EKGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1 50704764 JOCRYLVQRPMTPI-AQTBWJFISA-N 338.414 5.035 50 40 EKGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccc(F)cc2[nH]1 408568938 XNZONPULRLFKNG-YHYXMXQVSA-N 332.165 5.073 50 40 EKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)c1 408765109 ZMDAEFPQQHYSLA-MOSHPQCFSA-N 330.406 5.606 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccc(F)c1 409393327 QGSIAUBVKGTTQZ-ZDLGFXPLSA-N 334.369 5.437 50 40 EKGB CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Cl)c1O 6354862 MIGMWHKGBGXMSQ-MHWRWJLKSA-N 349.817 5.662 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)cc3)n2)cc1 17186372 OXKRUYNMGYICGX-VBKFSLOCSA-N 347.443 5.104 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1C 59432646 CLGWHXWQAPSATH-QGOAFFKASA-N 342.398 5.109 50 40 EKGB COc1cc(C(=O)[C@H](Cl)c2ccccc2)c(Cl)cc1Cl 575361471 HYXOPMXUGQCROE-CQSZACIVSA-N 329.610 5.165 50 40 EKGB N#C/C(=C/c1ccc(Sc2ccccc2)cc1)C(=O)c1ccoc1 585082995 PKCZAPBGFUBUOG-ATVHPVEESA-N 331.396 5.221 50 40 EKGB N#C/C(=C/Nc1ccccc1Cl)c1nc2cc(Cl)ccc2o1 5584006 KNPCRRRIFKJICG-KTKRTIGZSA-N 330.174 5.111 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccn1 4371984 IOHJDCWHJXBQFE-FMIVXFBMSA-N 341.197 5.713 50 40 EKGB CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3o2)cc1OC 408530635 JYGQETNTWSICSF-FOWTUZBSSA-N 348.402 5.079 50 40 EKGB CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1Cl 408582034 LHFINKZKQWTCHC-RIYZIHGNSA-N 348.229 5.465 50 40 EKGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1cccc(Cl)c1 408756585 WJWGILOKNWWKMC-QINSGFPZSA-N 337.831 6.148 50 40 EKGB Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2Br 4975119 NRPNKDCNMFSJFC-ZDUSSCGKSA-N 329.024 5.040 50 40 EKGB FS(F)(F)(F)(F)c1cc(Cl)cc(CBr)c1 97949990 KMRNMUYUJBXJOX-UHFFFAOYSA-N 331.531 5.892 50 40 EKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl 408579699 JRFPSCZGAOEMJI-XNTDXEJSSA-N 332.230 5.846 50 40 EKGB Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(C)cc3)cc2)cc1 209403441 HBDSJGRBNDKYPH-HZHRSRAPSA-N 339.438 5.947 50 40 EKGB COc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)cc1Cl 408773004 OXPJQXNWWBSDKG-MDWZMJQESA-N 337.728 5.432 50 40 EKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)c1 4817211 VBKLNOSYZXQBRS-SFQUDFHCSA-N 331.444 5.404 50 40 EKGB Cc1ccc(N/C(S)=C(/C#N)c2nc3ccccc3s2)c(C)c1 96996699 YXLXENPMDFWHNE-GHRIWEEISA-N 337.473 5.147 50 40 EKGB CCCCC/C=C/C[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)OO 103648733 ZIOZYRSDNLNNNJ-XMWPZNECSA-N 336.472 5.685 50 40 EKGB CC1=C(C)SC(=C(C#N)c2nc(-c3ccc(C)cc3)cs2)S1 3176499 WOAJJFNLCZEVTP-UHFFFAOYSA-N 342.514 6.042 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1C 4175231 IXMHFHDRENMYEB-LFIBNONCSA-N 349.434 5.543 50 40 EKGB CSc1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc1 4209356 YYCYKLDBGIHVPX-PDGQHHTCSA-N 344.439 5.107 50 40 EKGB Clc1ccc(-c2nc(C(Cl)Cl)n(-c3ccccc3)n2)cc1 101208025 VUOLEJJHCWYDIB-UHFFFAOYSA-N 338.625 5.064 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1cccc([N+](=O)[O-])c1 107981103 IHLPQLJGCQYUDY-PTNGSMBKSA-N 334.306 5.058 50 40 EKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1ccc2ccccc2c1 408549764 YOUVEJPKNDLCNT-HAHDFKILSA-N 347.417 6.696 50 40 EKGB CC(C)(C)c1cc(COCCCCCl)cc(C(C)(C)C)c1O 2573098 FPDXLNDIJOXNLG-UHFFFAOYSA-N 326.908 5.523 50 40 EKGB CCc1ccc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1 44827321 LVTYBFYEBDXJCK-DEDYPNTBSA-N 344.483 5.999 50 40 EKGB CCc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)cc1 408752774 CACSISOQSDAACA-PXLXIMEGSA-N 326.443 5.721 50 40 EKGB C=CCn1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c2ccccc21 51105164 VRRDEFXHYDCJQO-VBKFSLOCSA-N 338.414 5.076 50 40 EKGB C[C@H]1CC[P+](c2ccccc2)(c2ccccc2)Cc2ccccc21 104186467 OYXJKZRLVNLLQI-IBGZPJMESA-N 331.419 5.362 50 40 EKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 218723833 RSFOTPWOFOSBSG-XBXARRHUSA-N 341.621 5.351 50 40 EKGB S=C=Nc1ccc(SSc2ccc(N=C=S)cc2)cc1 1683811 IGFVJCSYXLNCHM-UHFFFAOYSA-N 332.500 5.955 50 40 EKGB Cn1c(/C(C#N)=C/c2ccc(-c3ccccc3F)o2)nc2ccccc21 23245269 JRKWBIKKNZZZHQ-WYMLVPIESA-N 343.361 5.037 50 40 EKGB CCOc1cc(Cl)c(/C=C(/C#N)c2ccccc2F)cc1OCC 33718965 KXPDAEIPYUJLCF-ZROIWOOFSA-N 345.801 5.341 50 40 EKGB C1=C[C@@H]([PH](Cc2ccccc2)(c2ccccc2)c2ccccc2)CC1 104186924 MVEZXMFTEOWAOP-XMMPIXPASA-N 344.438 5.306 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc3ccccc3c2)c(C)c1 33736258 RRJNRWKSTPEESL-KQWNVCNZSA-N 348.449 6.312 50 40 EKGB C=CCc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(OCC)c1O 408844615 ICPDCEWQIWYOFW-YVLHZVERSA-N 339.822 5.237 50 40 EKGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 4817160 YCOQBUDMAHVLIW-FOWTUZBSSA-N 347.443 5.104 50 40 EKGB O=C(Cl)/C=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 252490993 LHNGYJMLKXKZHZ-ZZXKWVIFSA-N 335.108 5.397 50 40 EKGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc2ccccc2c1 408548253 FFEUZZZNYXBNCW-YVLHZVERSA-N 334.762 5.466 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(F)c1 409390231 DQZVHTOBCRTQPM-UNOMPAQXSA-N 347.364 5.608 50 40 EKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(\C#N)c2ccccc2)cc1OC 35401407 RIFNFWDXENSGAQ-FBJMNJBLSA-N 341.838 5.590 50 40 EKGB Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C]2[CH][CH][CH][CH]2)c1 100032547 FCOJSIKUJMUIQF-HXUWFJFHSA-N 333.435 5.147 50 40 EKGB N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2ccccc2)cs1 5023838 PDSRHJCQOBBQDB-RAXLEYEMSA-N 339.370 5.065 50 40 EKGB COc1ccc(S(F)(F)(F)(F)F)cc1CBr 97949988 VOLXPNDUPQNACF-UHFFFAOYSA-N 327.112 5.248 50 40 EKGB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)CCl 216858958 XYIILAALKFYRJS-UHFFFAOYSA-N 342.826 5.104 50 40 EKGB COc1cc(C)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1C(C)C 408566704 IKVKUXNRFUOOLW-NVNXTCNLSA-N 349.409 5.207 50 40 EKGB Cc1ccc(/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1 408579550 HRSVWFBFFIWONV-XSFVSMFZSA-N 327.427 6.000 50 40 EKGB Cc1cccc(C(C)C)c1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 2886692 QAKKVCUSACFYNJ-DEDYPNTBSA-N 346.474 5.788 50 40 EKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)c1 13616220 JJIRJFMYQLKBHT-HYARGMPZSA-N 326.443 5.775 50 40 EKGB Cc1cccc([C@@]2(C)CC(C)(C)N(C(=O)CCl)c3ccccc32)c1 497790 ASWHGGHRNFNUEO-OAQYLSRUSA-N 341.882 5.055 50 40 EKGB Cc1cc(-c2ccc(/C=C/C(=O)Cl)o2)cc(C)c1Br 45888728 YZINSUBTSDLJBB-GQCTYLIASA-N 339.616 5.105 50 40 EKGB Cc1ccsc1C(=CCCBr)c1sccc1C 71973416 KRXSGXVUQKRSCK-UHFFFAOYSA-N 327.312 5.643 50 40 EKGB in-vitro N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)Cn1cnc2ccccc21 408691863 UZCCINKYQXCJCR-PTNGSMBKSA-N 343.361 5.043 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 409366440 VAIWDNZMGWGDAJ-ZHZULCJRSA-N 345.829 5.983 50 40 EKGB N#C/C(=C/c1c[nH]c2ccc(Br)cc12)c1cccc(F)c1 409394355 ZHQGXWQLHSHFTD-SDQBBNPISA-N 341.183 5.134 50 40 EKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Cl)c1O 6441170 JEHYIWDFUPVVHR-OQLLNIDSSA-N 335.790 5.272 50 40 EKGB C=CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1 408581074 UDGXHAUXYPNOQL-FOWTUZBSSA-N 340.220 5.078 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 408599184 PRUQYEIVMSCRGM-MOSHPQCFSA-N 345.829 5.983 50 40 EKGB CC(C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409214995 ZATZEWXDCVRFNP-DHDCSXOGSA-N 342.782 5.100 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(C)c3)n2)cc1 501701 YRVLMDBOEBXROL-LDADJPATSA-N 345.471 5.712 50 40 EKGB CCC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 4656543 DZZSLYAVOYJFAU-ZNTNEXAZSA-N 342.442 5.288 50 40 EKGB Cc1c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc2n1C 408587640 SSDORKPOZSHQEJ-NTEUORMPSA-N 341.241 5.858 50 40 EKGB N#C/C(=C/c1c(Cl)cccc1Cl)c1nc2ccccc2s1 33377841 WDEAOFANDHKVQK-NTMALXAHSA-N 331.227 5.667 50 40 EKGB O=C(c1ccccc1OC(F)(F)C(F)F)[C@@H](Cl)c1ccccc1 575361173 SNVZPFNNCHMGGB-ZDUSSCGKSA-N 346.707 5.086 50 40 EKGB CC[C@H](C)Oc1ccccc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 107861499 FYMCPGZDYSCOGG-IQFISFIMSA-N 345.446 5.421 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 408549667 WNGQSAJCCDPTHS-NDENLUEZSA-N 329.399 5.311 50 40 EKGB Cc1ccc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1 408579922 LLTQRBDSTUMPSX-HYARGMPZSA-N 325.411 5.638 50 40 EKGB C=CCn1c(C)c(/C=C(/C#N)c2ccc(Cl)cc2)c2ccccc21 409355327 JYRGGDDMQAVDFH-LGMDPLHJSA-N 332.834 5.853 50 40 EKGB CC(C)(C)c1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 33680986 NRLFWFUFBCMJAR-NHDPSOOVSA-N 349.261 5.055 50 40 EKGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1 408580314 OFOZEAZGXXVUPG-XNTDXEJSSA-N 328.198 5.070 50 40 EKGB CCc1cc2c(cc1C(=O)CBr)C(C)(C)CCC2(C)C 1724305 BBHJYKJAWKZSHS-UHFFFAOYSA-N 337.301 5.176 50 40 EKGB Cc1cc(C)c(-c2csc(/C(C#N)=C/C=C/c3ccco3)n2)cc1C 6500616 JXFVLQDYLIOUAN-DGRGIPDVSA-N 346.455 5.949 50 40 EKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2ccccc2F)o1 35074373 OFZUXTJBCAELOX-SDNWHVSQSA-N 348.333 5.367 50 40 EKGB N#CC(C#N)=Cc1cn(Cc2cccc3ccccc23)c2ccccc12 113835434 RNZFHUFBFNXTHQ-UHFFFAOYSA-N 333.394 5.273 50 40 EKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1C 2289303 YNFOFDUTQZSMPE-SFQUDFHCSA-N 331.444 5.404 50 40 EKGB Cc1ccc2nc(/C(C#N)=C/c3ccc(Cl)cc3Cl)[nH]c2c1 3898332 QQXFZURIMBXICN-KPKJPENVSA-N 328.202 5.242 50 40 EKGB CCCCCCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100302806 WBRZTHMGJFYZDL-CYBMUJFWSA-N 336.174 7.275 50 40 EKGB CC(C)(C)c1ccc(/C=C(/C#N)c2nc(-c3ccco3)cs2)cc1 51364647 AYKYGBDMEUXVET-PTNGSMBKSA-N 334.444 5.765 50 40 EKGB [C-]#[N+][C@H](c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 95686546 XIXROCKJSIJOQD-NRFANRHFSA-N 347.439 5.054 50 40 EKGB CCN(CC)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)c(OC)c1 571778 KHYZDKRRIJFTPR-SFQUDFHCSA-N 340.854 5.259 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc3ccccc3c2)cc1 408553100 XGBXFJXMYXDPBB-JWGURIENSA-N 334.422 6.003 50 40 EKGB CC1=CC(C)(C)N(C(=O)[C@@H](Cl)c2ccccc2)c2cc(C)ccc21 540626 BKKBOZYPFQOIQR-IBGZPJMESA-N 339.866 5.504 50 40 EKGB Cc1cc2nc(/C(C#N)=C/c3c(F)cccc3Cl)[nH]c2cc1C 9235908 JPBWLQYKIJKXOB-XYOKQWHBSA-N 325.774 5.036 50 40 EKGB C[C@@H](Br)CCCCCCCCCCCCCCC(=O)O 16124347 AILKGAODMMCLAY-MRXNPFEDSA-N 349.353 6.316 50 40 EKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OC 408581219 VDFFBOVRMKMMTN-RIYZIHGNSA-N 348.229 5.465 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3cccc(F)c3)c2C)cc1 409391136 HNPZSBBHHFGFGW-UDWIEESQSA-N 330.406 5.606 50 40 EKGB COc1ccc2ccc(OC)c(/C=C(/C#N)c3ccccc3F)c2c1 6174655 MAQZCGLJZGUSEY-PTNGSMBKSA-N 333.362 5.060 50 40 EKGB C[C@H](Cl)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358854 GUEJRGNIDYHJBD-INIZCTEOSA-N 335.834 5.966 50 40 EKGB N#C/C(=C\C=C\c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 2736142 HGVMEHPHIGWBPN-XFZAXWISSA-N 343.213 5.095 50 40 EKGB N#C/C(C(=O)c1cc(Cl)cc(Cl)c1)=C1/Nc2ccccc2S1 100812860 ICKCCEJBDMHOER-FOWTUZBSSA-N 347.226 5.129 50 40 EKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)c2ccccc2F)o1 108050536 KBWZHYLQAZXAHN-KAMYIIQDSA-N 347.345 5.157 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1OCC 408598963 MHMLPFINDHRXIG-YBEGLDIGSA-N 327.811 5.202 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccc3F)c2C)cc1 107712615 SKSKFHPODCDEQZ-CPNJWEJPSA-N 330.406 5.606 50 40 EKGB CC(C)(C)[Si](C)(C)Oc1ccc(/C=N/c2ccc(F)cc2)cc1 195887331 ZNTNRBRHDPBAPK-KGENOOAVSA-N 329.491 5.960 50 40 EKGB in-vitro CC/C=C/C[C@@H](/C=C/C=C/C/C=C\C/C=C\CCCC(=O)O)OO 299888325 FPMFSFWYWZLDKP-SUZPHYCNSA-N 334.456 5.461 50 40 EKGB CC(C)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1 4175072 XGNKTKDDHMEUIL-UNOMPAQXSA-N 330.456 5.998 50 40 EKGB Cc1cccc(-n2cccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C 6968440 XDJSEDVFXRXTSI-AQTBWJFISA-N 343.386 5.067 50 40 EKGB CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1Br 560118 OXMSNKCMMZMQOJ-MHWRWJLKSA-N 342.236 5.220 50 40 EKGB N#C/C(=C/c1cccc2ccccc12)c1nc(-c2ccccc2)cs1 3899032 IFGHXLCATWPRJK-UYRXBGFRSA-N 338.435 6.027 50 40 EKGB N#C/C(=C/C1=C(Cl)c2ccccc2CC1)c1nc2ccccc2[nH]1 12377419 BTMBASMHEJAQSQ-PTNGSMBKSA-N 331.806 5.066 50 40 EKGB N#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13027737 KMVAOSUUMMOSTP-AQHRCUNFSA-N 332.403 5.570 50 40 EKGB N#C/C(=C\c1ccc(-c2cccs2)cc1F)C(=O)c1ccsc1 96297978 PMFVTPGAMAZZPN-OVCLIPMQSA-N 339.416 5.406 50 40 EKGB CC(C)Oc1ccc(/C=C(/C#N)c2cccc(C#N)c2)c(OC(C)C)c1 408566195 FCUDAPLVXQCWBY-JAIQZWGSSA-N 346.430 5.197 50 40 EKGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408601294 JQYLXLGHMDQGEN-CXDFQFJYSA-N 348.446 5.026 50 40 EKGB N#C/C(=C\c1c(Cl)ccc(Cl)c1Cl)c1nc2ccccc2[nH]1 4423454 YBQMEWCPLOVKRE-VQHVLOKHSA-N 348.620 5.587 50 40 EKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1 206276297 YEFJWANQAQADBK-RGEXLXHISA-N 348.446 5.028 50 40 EKGB N#C/C(=C/c1cccn1-c1ccccc1)c1ccc(Br)cc1 408856863 RMVZCQMZEBDMRI-SSZFMOIBSA-N 349.231 5.304 50 40 EKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)cc1 33651073 IYOWWDMJUVPCFJ-AQTBWJFISA-N 346.405 5.306 50 40 EKGB CCN(CC)c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)c1 33657733 NCYAAPGBOXASEI-HAHDFKILSA-N 340.470 6.059 50 40 EKGB CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(C)C)cc2)cc1 1912776 ZSXVEUDZIHWEOE-XMHGGMMESA-N 349.430 5.111 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2F)o1)c1nc2ccccc2[nH]1 3899709 MYNPEBUKACSQEN-QBFSEMIESA-N 329.334 5.026 50 40 EKGB N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 34703361 AJFRUDMTPUDDAE-DXQMBWDBSA-N 326.355 5.368 50 40 EKGB CCOP(c1cccc2ccccc12)c1cccc2ccccc12 95486413 GFQOISFFURBSOY-UHFFFAOYSA-N 330.367 5.377 50 40 EKGB N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc2ccccc2c1 408550530 HRSQEPNJHIANIS-PGMHBOJBSA-N 342.442 5.877 50 40 EKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)c1 408793415 FHOHNSIBYCOAKP-QGOAFFKASA-N 332.447 5.147 50 40 EKGB BrCCCCCCn1c2ccccc2c2ccccc21 36377458 HFNNZEMVTJAKRC-UHFFFAOYSA-N 330.269 5.750 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1OC 408585460 FDBAULLWEFIYSN-ZSOIEALJSA-N 348.229 5.465 50 40 EKGB N#CC(C#N)=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 7099554 ZLAUCWQCJOMLRZ-UHFFFAOYSA-N 333.394 5.273 50 40 EKGB CC(C)N1c2ccc(/C=C(\C#N)c3ccccc3)cc2[C@H](C)CC1(C)C 260567910 MXLSQIXXRKLVCH-KOMLCTQHSA-N 344.502 6.251 50 40 EKGB CCOc1cc(C)c(/C=C(\C#N)c2cccc(Cl)c2)cc1C(C)C 408854328 COCXYWGXSDJNPI-VCHYOVAHSA-N 339.866 6.235 50 40 EKGB Cc1cc(NC(=O)CCl)cc2nc(-c3ccc(C(C)C)cc3)oc12 216854959 FINBZPKKPHKDAN-UHFFFAOYSA-N 342.826 5.104 50 40 EKGB N#C/C(=C\c1ccc(N2CCCCC2)s1)c1cccc(Cl)c1 3311661 NOKNXMGBCVVWQY-NTCAYCPXSA-N 328.868 5.456 50 40 EKGB N#C/C(=C/c1ccccc1OCCOc1ccccc1)c1ccccc1 4499320 VOVLUBXLVPNPBV-FXBPSFAMSA-N 341.410 5.209 50 40 EKGB CC(C)c1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1 33555756 XGNKTKDDHMEUIL-XDHOZWIPSA-N 330.456 5.998 50 40 EKGB Cc1cccc(-n2cccc2/C=C(/C#N)c2ccc3ccccc3c2)c1C 408551577 NWLDAXMBLDAPSL-KQWNVCNZSA-N 348.449 6.312 50 40 EKGB O=C(CCCCCl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575361221 TWQIQUSQDYFPKG-UHFFFAOYSA-N 332.671 5.316 50 40 EKGB N#C/C(=C\c1ccc(N2CCCC2)o1)c1ccc(Cl)cc1Cl 450847 PRTMEEGEOSJLDP-FMIVXFBMSA-N 333.218 5.251 50 40 EKGB CCCCCCCCC(=O)N/N=C/c1c(Cl)cccc1Cl 2790641 KFJTZVIXYIQRFK-XDHOZWIPSA-N 329.271 5.194 50 40 EKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1ccc(C(=O)O)cc1 408541029 AYTKYBYNQJDJGG-UYRXBGFRSA-N 341.366 5.241 50 40 EKGB COc1cc(OC)c(/C=C(/C#N)c2cccc(Cl)c2)cc1Cl 408599692 YPLSMLVICADCLA-MLPAPPSSSA-N 334.202 5.075 50 40 EKGB CCCCCCc1ccc(C(=O)CCCCCBr)cc1 575357449 LIOJQIWJIGXCMK-UHFFFAOYSA-N 339.317 5.947 50 40 EKGB O=C(c1cc(OC(F)(F)F)ccc1Cl)[C@H](Cl)c1ccccc1 575361565 RDABUSPUWXMULP-CYBMUJFWSA-N 349.135 5.401 50 40 EKGB N#C/C(=C\c1ccccc1OCc1ccccc1)c1ccc(F)cc1 2871478 DUPFEFJLBWWBLP-XSFVSMFZSA-N 329.374 5.469 50 40 EKGB CCCCCCCCCCCCCCCCSC(=O)CCl 104360767 UOLMCTUHVUSZEC-UHFFFAOYSA-N 334.997 6.966 50 40 EKGB CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccccc1 409047722 QGSJLIHFIDXSBA-LZYBPNLTSA-N 346.257 6.092 50 40 EKGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 145164 ZGZCIGQHQUEGTG-SFQUDFHCSA-N 338.838 5.010 50 40 EKGB CC(C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Cl 408550513 HLYNMCVWVNZAHF-JAIQZWGSSA-N 347.845 6.345 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1 33741366 UJZVWUSEZRXUHG-ZKMNFCBKSA-N 331.419 5.113 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(Cl)cc1 409355602 DDAFEGGQBXRPSY-KAMYIIQDSA-N 349.773 5.362 50 40 EKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1O 408585615 GLIOLMTXLVAVNO-QPEQYQDCSA-N 334.202 5.162 50 40 EKGB CC(C)(C)[C@H]1CC(C(F)(F)F)(C(F)(F)F)O[P@@](=O)(Cl)O1 95704226 OFNLVYSEXFAWSB-NQACDNSBSA-N 348.607 5.048 50 40 EKGB CC(C)[Si](Oc1ccc(OC(F)(F)F)cc1)(C(C)C)C(C)C 196307183 PEAIFTDEVNPKPE-UHFFFAOYSA-N 334.454 6.140 50 40 EKGB N#C/C(=C\c1ccccc1F)N=C(c1ccccc1)c1ccccc1 5681057 XZOCFELBNFYXPY-HMMYKYKNSA-N 326.374 5.228 50 40 EKGB Cc1cc2c(cc1/C=C(/C#N)c1ccc(F)cc1)[C@H](C)CC(C)(C)N2C 208215620 DXAKEDWAXUFRKR-VXIUPONVSA-N 348.465 5.920 50 40 EKGB Cc1c(C(=O)[C@@H](Cl)c2ccccc2)sc2ccc(Cl)cc12 575362402 YSTSQDMSDDBWIJ-HNNXBMFYSA-N 335.255 6.026 50 40 EKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 143535 GUXAGQSMDDRPJW-LICLKQGHSA-N 338.838 5.318 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C)n2)c(C)c1 13774409 BRVXFFWAUCDJJM-ATVHPVEESA-N 345.471 5.712 50 40 EKGB ClC(Cl)(Cl)[C@@H]1CC[C@H](Br)[C@@H]2CCCC[C@@H]21 104138624 GYYWZRYKQUUECM-JLIMGVALSA-N 334.512 5.337 50 40 EKGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc2ccccc2c1 33739028 SSZDOIOQJKTALP-HAHDFKILSA-N 338.454 5.813 50 40 EKGB CC(C)[Si](OCc1cccc(C(=O)O)c1F)(C(C)C)C(C)C 219799159 VTOBKNYZPYTCHY-UHFFFAOYSA-N 326.484 5.216 50 40 EKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 408884101 VXNAHFZAYOJHRK-KNTRCKAVSA-N 348.446 5.191 50 40 EKGB N#CC(C#N)=Cc1ccccc1OCc1ccc(Cl)cc1Cl 586186 WVTOKKJAGWSERS-UHFFFAOYSA-N 329.186 5.003 50 40 EKGB Cl[C@@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 31923536 CZYWRRVFNCAJKT-QFIPXVFZSA-N 335.878 5.669 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)c(C)c1 272603 AWGRKLUOSBWAEK-AVSIYSEJSA-N 342.467 6.047 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C)n2)cc1C 100101544 RLHLNGIZHJJROY-LDADJPATSA-N 345.471 5.712 50 40 EKGB CC(=O)N(Nc1ccccc1)c1ccc(N=Nc2ccccc2)cc1 245240171 OQHWYIOZMCTISQ-UHFFFAOYSA-N 330.391 5.482 50 40 EKGB Cc1ccc(COc2cccc(/C=C(/C#N)c3ccccc3)c2)cc1 409359839 CDLCHFKTWPJFIL-HMAPJEAMSA-N 325.411 5.638 50 40 EKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)cc1 409394210 XEZOCAGKDJVADB-BKUYFWCQSA-N 344.433 5.860 50 40 EKGB O=C(CCCCCl)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361181 SVJLFDZFWWYOIE-UHFFFAOYSA-N 332.671 5.316 50 40 EKGB N#C/C(=C\c1cccc(Cl)c1)c1nc2c(s1)CCc1ccccc1-2 4980081 MSZHAOCYNYRLIG-XNTDXEJSSA-N 348.858 5.626 50 40 EKGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 15932543 HEIJOCMJBDDAAD-OWBHPGMISA-N 344.805 5.071 50 40 EKGB Cc1ccc(N/C(S)=C(\C#N)c2nc3ccccc3s2)cc1C 100102374 XFCUTJJSRJKQJE-VKAVYKQESA-N 337.473 5.147 50 40 EKGB CC(C)(C)[Si](C)(C)OC[C@@H]1CCC2(CC2)N1Cc1ccccc1 2362801450 GOFNDOOAMPDGTD-SFHVURJKSA-N 331.576 5.205 50 40 EKGB CCC[C@H](ON1C(C)(C)CCCC1(C)C)c1ccc(CCl)cc1 390822413 UYCDTOKWQBOJDC-SFHVURJKSA-N 337.935 6.241 50 40 EKGB CCCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1Cl 408583698 WSHXRYPRZYNMEW-LFIBNONCSA-N 327.811 5.202 50 40 EKGB CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(C)cc1 560395 WSBYNJJBVQGSGK-MHWRWJLKSA-N 342.236 5.220 50 40 EKGB CCN(CC)c1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1 6629981 IXLPLRADLYJWHY-SILNSSARSA-N 326.443 5.750 50 40 EKGB O=C(NNc1ccccc1)N1c2ccccc2Sc2ccccc21 19015410 HKPXVKOPJPOLSK-UHFFFAOYSA-N 333.416 5.026 50 40 EKGB N#C/C(=C(/O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 102930540 MAHJJFOIGDMBQW-UZYVYHOESA-N 337.382 5.180 50 40 EKGB C1=C[C@H]([PH](Cc2ccccc2)(c2ccccc2)c2ccccc2)CC1 104186922 MVEZXMFTEOWAOP-DEOSSOPVSA-N 344.438 5.306 50 40 EKGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc1 38824 YRUBTSBJYQYTSZ-OAQYLSRUSA-N 340.426 5.181 50 40 EKGB COc1ccc(/C=N/C2=C(C#N)C3(CCCC3)Cc3ccccc32)cc1 348399 JEFWIHINNSLFCT-PCLIKHOPSA-N 342.442 5.165 50 40 EKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1cccc(Cl)c1 408599265 REZJKGNKJSFRNE-NBVRZTHBSA-N 343.813 5.569 50 40 EKGB N#C/C(=C/c1ccc(Sc2ccccc2)cc1)c1cccc(F)c1 409393145 PFMHEAXOTPTXRU-AQTBWJFISA-N 331.415 6.041 50 40 EKGB Cc1c(Br)cccc1C=CCCCCCBr 1857793256 ACWBGMTZJSLEDC-UHFFFAOYSA-N 346.106 5.726 50 40 EKGB Clc1cc2c(cc1Cl)[C@H]1c3ccccc3[C@@H]2[C@@H](Cl)[C@H]1Cl 104254840 KYLQWFSTZRRSAO-SYMSYNOKSA-N 344.068 5.799 50 40 EKGB FC(F)(F)C(CCBr)(c1ccccc1)c1ccccc1 66329368 FKVYBVCCNZHWCL-UHFFFAOYSA-N 343.186 5.320 50 40 EKGB N#C/C(=C/Nc1cccc(F)c1)c1nc(-c2ccc(F)cc2)cs1 100839801 SVWQEGDJSQLICK-RAXLEYEMSA-N 339.370 5.065 50 40 EKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc(Cl)cc1 5513330 ALPZDZIMBFWYFU-UHFFFAOYSA-N 334.891 5.731 50 40 EKGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)c1c[nH]c2ccccc12 6049309 JMOXFXORFIFZAN-XYOKQWHBSA-N 341.197 5.265 50 40 EKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cccc2ccccc12 408805390 ASZJHYSRDVPNHJ-SFQUDFHCSA-N 346.817 5.347 50 40 EKGB N#CC(C#N)=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 408815018 RCLMMISFEXLZRR-UHFFFAOYSA-N 329.186 5.003 50 40 EKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(F)c3)o2)cc1[N+](=O)[O-] 409392749 NKZFPLLUKDXOMR-YBEGLDIGSA-N 348.333 5.367 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 301215 MSKAEMIYLOHICM-NTCAYCPXSA-N 348.789 5.146 50 40 EKGB O=C1CCCCCCCCCC[C@H]1CCCCCBr 5566835 YQMZWDQGZBYMIH-INIZCTEOSA-N 331.338 6.042 50 40 EKGB C[C@@H](Cl)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2270638 IIJWXHQNSKMSBO-IAQYHMDHSA-N 340.275 5.067 50 40 EKGB N#C/C(=C\c1ccc(F)cc1)c1nc(-c2cc3ccccc3o2)cs1 5603034 PQHWEUWLLBBEDR-OQLLNIDSSA-N 346.386 5.760 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2ccccc2F)cc1Cl 6079414 BXRARZXJMJYNNN-PTNGSMBKSA-N 336.797 5.642 50 40 EKGB Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2)cc1 81192419 PLJMCYXZYHQUQK-UHFFFAOYSA-N 340.406 5.215 50 40 EKGB Cc1ccc(COc2c(Cl)cc(C(=O)Cl)cc2Cl)cc1 218720991 DQRWHBVOHLRTLO-UHFFFAOYSA-N 329.610 5.260 50 40 EKGB Cc1cccc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1 4174874 CQAYKKRISZDMMI-ODLFYWEKSA-N 330.456 5.800 50 40 EKGB N#C/C(=C/C=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 57537986 HGVMEHPHIGWBPN-KXXDCUPXSA-N 343.213 5.095 50 40 EKGB CCCCCCCCCc1ccccc1OCCBr 103601008 CVNBAPCLXMGKIX-UHFFFAOYSA-N 327.306 5.753 50 40 EKGB ClC(Cl)(Cl)[C@@H]1CC[C@H](Br)[C@@H]2CCCC[C@H]21 104138619 GYYWZRYKQUUECM-KYXWUPHJSA-N 334.512 5.337 50 40 EKGB Cc1ccc(Cn2c(CCCCl)nc3cc(Cl)ccc32)cc1 225295673 ZAZOBTLMWCXGSZ-UHFFFAOYSA-N 333.262 5.218 50 40 EKGB O=C(c1cc(Cl)cc(Cl)c1Cl)[C@@H](Cl)c1ccccc1 575361475 JACQBIXFFSKFER-LBPRGKRZSA-N 334.029 5.810 50 40 EKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1 143400 AWPJCKPRGQUNDK-DEDYPNTBSA-N 332.447 5.479 50 40 EKGB C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NN(c1ccccc1)c1ccccc1)C2 351762 HVWBUTCMBXEGFB-MBSDFSHPSA-N 346.474 5.238 50 40 EKGB O=C(c1ccc2ccccc2c1)[C@@H](Cl)[C@@H](Cl)c1ccccc1 1685481 ZWUJWOWMHSVEQS-ROUUACIJSA-N 329.226 5.610 50 40 EKGB CCCCCCC(=O)N/N=C(\CC)c1ccc(Cl)cc1Cl 5792285 AWKLFOCHTKYLNP-XDJHFCHBSA-N 329.271 5.194 50 40 EKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(F)cc1 4739640 UAYVOMVLRSWRRD-NBVRZTHBSA-N 327.358 5.055 50 40 EKGB CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccccc3)n2)cc1 4853306 RFFQCRMKLOIXGI-ZHZULCJRSA-N 344.483 6.217 50 40 EKGB COc1ccccc1/C=C(/C#N)c1nc(-c2ccc(C)c(C)c2)cs1 6478085 OJIYBWLFDLTHNV-WQRHYEAKSA-N 346.455 5.500 50 40 EKGB Cc1ccc(N/C(S)=C(/C#N)c2nc3ccccc3s2)cc1C 12616824 XFCUTJJSRJKQJE-SAPNQHFASA-N 337.473 5.147 50 40 EKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(F)cc3)o2)cc1C(=O)O 59104553 MBSCMFPVDGRAQP-YBEGLDIGSA-N 347.345 5.157 50 40 EKGB O=C(Cl)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 218719640 WPXJBAZZNOZUFK-UHFFFAOYSA-N 326.566 5.181 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccncc1 6626413 FQFXFOIGNMNKLR-HAHDFKILSA-N 349.437 5.707 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)cc1 96835839 XBOBJRRSPNJPIW-MOSHPQCFSA-N 330.406 5.606 50 40 EKGB CC[Si](CC)(CC)OC(O[Si](CC)(CC)CC)C(F)(F)F 627281305 JQJCMISMGPIUCP-UHFFFAOYSA-N 344.566 5.918 50 40 EKGB Cc1cccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1 100146698 AAJAZAHWFSQTIK-LDADJPATSA-N 345.471 5.712 50 40 EKGB COc1ccc(/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1 408582738 PSLYLCNYKYAUCI-XMHGGMMESA-N 343.426 5.700 50 40 EKGB O=C(Nc1ccc2ccc3cccc4ccc1c2c34)C(Cl)Cl 1574397 JCQBDBPTTHSFCI-UHFFFAOYSA-N 328.198 5.326 50 40 EKGB O=C(/C=C/c1ccc2ccccc2c1)c1ccc(O)c(CCCl)c1 12983528 CYLMKPGNNLWROO-RMKNXTFCSA-N 336.818 5.223 50 40 EKGB ClC(Cl)(Cl)CC12C[C@H]3C[C@@H](CC1(CBr)C3)C2 101053433 VTHOHHSBSWGTEG-NKVNRFPTSA-N 346.523 5.338 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1Cl)Sc1nc2ccccc2[nH]1 408599495 VQLGHQJNSAUJKS-KPKJPENVSA-N 346.242 5.526 50 40 EKGB O=C(c1ccccc1OC(F)(F)C(F)F)[C@H](Cl)c1ccccc1 575361172 SNVZPFNNCHMGGB-CYBMUJFWSA-N 346.707 5.086 50 40 EKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1 4705559 UHGOFLWGJOLRDX-QINSGFPZSA-N 343.411 5.371 50 40 EKGB Cc1ccccc1-n1cccc1/C=C(/C#N)c1ccc2ccccc2c1 6079641 BQGPNNGLCCVBNF-JWGURIENSA-N 334.422 6.003 50 40 EKGB O=C(c1ccc(OC(F)(F)C(F)F)cc1)[C@@H](Cl)c1ccccc1 575361372 ZGOUHCSISIUMCO-ZDUSSCGKSA-N 346.707 5.086 50 40 EKGB C=CCn1cc(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc21 5976118 YHOUENUMPGISOJ-QNGOZBTKSA-N 334.422 6.045 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2Cl)cc1C 223166630 NYWHNJFNSZMGOU-ZROIWOOFSA-N 345.229 5.156 50 40 EKGB FC(F)(F)c1cnc(Sc2ccc(N=C=S)cc2)c(Cl)c1 2562182 HENYHAGYMLEVND-UHFFFAOYSA-N 346.786 5.639 50 40 EKGB ClC(Cl)(Cl)CC12C[C@@H]3C[C@H](CC1(CBr)C3)C2 101053436 VTHOHHSBSWGTEG-SAAXCQNUSA-N 346.523 5.338 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 503802 NUGRNQRZJQZBLK-RVDMUPIBSA-N 335.407 5.234 50 40 EKGB CC[C@H](C)n1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21 33731248 NRPLCHUGEGDPGH-ZCQLHAAUSA-N 345.402 5.585 50 40 EKGB O=C(c1cc2ccccc2c2ccccc12)[C@@H](Cl)c1ccccc1 575359075 QYAPVCFXYYOOMS-NRFANRHFSA-N 330.814 6.156 50 40 EKGB O=C(CCc1ccccc1O)NN=C1CCCCCCCCCCC1 4694915 WQKPNTXAUNSXBZ-UHFFFAOYSA-N 344.499 5.102 50 40 EKGB CC1CCC(=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 6846901 QUQINLPSZYAFOR-UHFFFAOYSA-N 328.868 5.951 50 40 EKGB O=C(c1ccc(CCl)cc1)N(Cc1ccccc1)c1ccccc1 98072766 ITWJOMOXAADOGB-UHFFFAOYSA-N 335.834 5.272 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccc(F)cc2)c(C)n1Cc1ccccc1 1076428 POECFXILNHGKAC-FYJGNVAPSA-N 330.406 5.357 50 40 EKGB Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)c(C)c1 96663272 MXPFPWCVCGFUPJ-UYRXBGFRSA-N 346.474 5.455 50 40 EKGB ClC[C@H](Cl)CCCCCCCCCC[C@@H](Cl)CCl 100134289 RUUXQUXRZDFJEA-ZIAGYGMSSA-N 336.174 6.580 50 40 EKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)cc1 409185041 QKKSBEWVLJLLGG-RCCKNPSSSA-N 342.442 5.557 50 40 EKGB CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)o3)n2)cc1 4903489 NWVQDLPVWVSDPK-LDADJPATSA-N 348.471 6.118 50 40 EKGB N#C/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 107631054 FLFPPYXBLINSOW-ONEGZZNKSA-N 338.621 5.763 50 40 EKGB O=C(CCl)N(Cc1ccc(Cl)cc1)c1cccc2ccccc12 303571 TZYZORJXNQWXCF-UHFFFAOYSA-N 344.241 5.265 50 40 EKGB CCCCN1C(c2ccccc2)=CC(=C(C#N)C#N)[C@H]2CCCC[C@H]21 96346827 WLMSSVFWJXMPLE-TZIWHRDSSA-N 331.463 5.046 50 40 EKGB ClC[C@H](Cl)CCCC[C@@H](Cl)CC(Cl)(Cl)Cl 100369881 FLPYBWOIOHZULG-HTQZYQBOSA-N 334.929 5.761 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1 107616895 ZFFREHZQJOMZHP-LGMDPLHJSA-N 338.414 5.035 50 40 EKGB CCO[C@@H](CCl)Oc1c(C(C)C)cc(C(C)C)c(Cl)c1C 1600466 GLNCOIVYNWLBQV-OAHLLOKOSA-N 333.299 5.875 50 40 EKGB CCOc1cc(/C=C/C#N)ccc1OCc1ccc2ccccc2c1 6595617 AOYGUINTCPRNLV-AATRIKPKSA-N 329.399 5.354 50 40 EKGB CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=N\NC(=O)Nc1ccccc1 31672752 UVFFBWUHUQKZPG-DYOXJHOMSA-N 325.456 5.123 50 40 EKGB CC(C)N(C(C)C)[P@](=O)(C(Cl)Cl)C(C)(Cl)Cl 4949207 VYOXJKZVMXGLOS-INIZCTEOSA-N 329.035 5.296 50 40 EKGB COc1cccc(C(=O)NN=C2CCCCCCCCCCC2)c1 4828136 SWIGITPQWOIYOP-UHFFFAOYSA-N 330.472 5.086 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1 6356016 GLWJCSARWPOWPV-AWZALFRUSA-N 327.427 6.081 50 40 EKGB CC(C)[C@@H]1CC(/C=C/c2ccc(N(C)C)cc2)=CC(=C(C#N)C#N)C1 16575017 FZFDDUYAFJTWRG-ZMBJWTFHSA-N 331.463 5.102 50 40 EKGB CCCCCCCCCCCCSSC(=S)OC(C)C 104189565 UGHGHKCBLLVNPH-UHFFFAOYSA-N 336.632 6.999 50 40 EKGB CO[C@H](C(=O)NN=C1CCCCCCCCCCC1)c1ccccc1 5356306 HCXLDMVGUNWCIR-FQEVSTJZSA-N 344.499 5.151 50 40 EKGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 299861533 IKDGVIKUVOFOPC-QGOAFFKASA-N 344.462 5.090 50 40 EKGB C[C@H]1CCc2nc(/C(C#N)=C/c3ccc(Cl)cc3Cl)sc2C1 5447172 JMNAWIFZAZDKDD-QVIVLVACSA-N 349.286 5.639 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1nc2ccc(F)cc2[nH]1 408566873 BFGGBVXQMGQVSD-LCYFTJDESA-N 347.324 5.165 50 40 EKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(C)cc1 408579880 LAKKFWHEXNBKOW-HMMYKYKNSA-N 327.427 6.001 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc(Cl)cc1 409352541 ZQCTWJOUXIXPEG-WJDWOHSUSA-N 330.774 5.536 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1cccc(Cl)c1 408598634 GSSKMOJYELAGCH-NDENLUEZSA-N 345.829 5.983 50 40 EKGB Cc1oc(-n2c(C)cc(/C=C(/C#N)c3ccccc3)c2C)c(C#N)c1C 409366555 WCEPUKQKHKZHPC-JAIQZWGSSA-N 341.414 5.240 50 40 EKGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)c2cccc(F)c2)o1 409393324 QFJAHFFRNOVACN-GDNBJRDFSA-N 337.781 6.112 50 40 EKGB ClCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 5119213 LDPIALKDNXAMPN-UHFFFAOYSA-N 338.903 5.951 50 40 EKGB N#C/C(=C/c1ccccc1OCc1ccccc1)c1cccc(Cl)c1 408598879 KRCQAAZKPGQFQJ-MOSHPQCFSA-N 345.829 5.983 50 40 EKGB C=CCOc1c(CC=C)cc(/C=C(\C#N)c2ccccc2)cc1OC 409066219 BCKZCWVFTLZFLD-XSFVSMFZSA-N 331.415 5.053 50 40 EKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(C)c3)n2)cc1 6351454 UBFHXCWDDMWRTJ-LDADJPATSA-N 346.455 5.581 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1OC 6168218 UCGNLJKABGHHSP-VQCBNXJZSA-N 325.383 5.076 50 40 EKGB Cc1cccc(-c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)c1 15859109 XJVWFRKYONSRPT-UHFFFAOYSA-N 332.432 5.077 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C)c3)n2)cc1 100159757 ZWSBCLSQAZYYTN-QGOAFFKASA-N 345.471 5.658 50 40 EKGB N#C/C(=C\c1ccc(Sc2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 571758 XSMWPGCDTSGSKR-NTCAYCPXSA-N 348.383 5.403 50 40 EKGB Cc1ccc(C)c(N/C(S)=C(\C#N)c2nc3ccccc3s2)c1 12618169 XBVGTQVOIMWWAJ-LGMDPLHJSA-N 337.473 5.147 50 40 EKGB CCc1ccccc1P(c1ccccc1CC)c1ccccc1CC 98174825 RLRSSUBSVSBAJD-UHFFFAOYSA-N 346.454 5.132 50 40 EKGB N#C/C(=C\c1ccccc1Cl)c1nc(-c2ccc(F)cc2)cs1 4834711 LQZUUDYVPUZUAE-NTEUORMPSA-N 340.810 5.667 50 40 EKGB C#CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408579835 KGCKLTJBSNWQMH-GXDHUFHOSA-N 328.198 5.070 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1ccc2ccccc2c1 408551543 NBPRNIOGBAXNCZ-HMAPJEAMSA-N 346.389 6.036 50 40 EKGB BrCc1ccc(-c2ccccc2)cc1Br 85474583 GOBZQVMPUJYXEV-UHFFFAOYSA-N 326.031 5.011 50 40 EKGB CCCCCCCCCCCC(=O)N/N=C/CCc1ccccc1 97962841 QMKQHGOCTKATQM-ZBJSNUHESA-N 330.516 5.642 50 40 EKGB CCCOc1ccccc1/C=C(\C#N)c1ccc(Br)cc1 408581056 TWOSTNGBXRIDEV-FOWTUZBSSA-N 342.236 5.302 50 40 EKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)c1 408762977 CXUCFZQHKLAMCJ-NDENLUEZSA-N 346.861 6.120 50 40 EKGB CC(C)OP(=O)(Cc1ccccc1CBr)OC(C)C 1874224 DAXOFDZPORFUIT-UHFFFAOYSA-N 349.205 5.125 50 40 EKGB O=C(c1cccc2ccccc12)[C@@H](Br)c1ccccc1 3844975 JHWSLXNUWJRUEE-KRWDZBQOSA-N 325.205 5.159 50 40 EKGB biogenic CC(C)(C)[C@@H]1CC(C(F)(F)F)(C(F)(F)F)O[P@@](=O)(Cl)O1 95704225 OFNLVYSEXFAWSB-NBFADEGPSA-N 348.607 5.048 50 40 EKGB O=C(Cl)c1ccc(OCc2cccc3ccccc23)c(Cl)c1 218722043 XXOPIWXILPTFAA-UHFFFAOYSA-N 331.198 5.451 50 40 EKGB COc1cc(C)c(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1OC 408549146 PUZJQRWBASUNTJ-NVNXTCNLSA-N 347.336 5.095 50 40 EKGB CC1(C)CCCC(C)(C)[C@]23OO[C@]12[C@]12O[C@]31C(C)(C)CCCC2(C)C 100349963 RKFADFVDGZXURF-ZDNVTZCJSA-N 348.527 5.420 50 40 EKGB CCCCCCCC/C=C/CCCCCCCC(=O)N(C)N(C)C 104046441 ARULNYAKNPKASD-OUKQBFOZSA-N 338.580 5.959 50 40 EKGB C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)[C@@H](Cl)c1ccccc1 1660095 NWBRQGGAKOXZHH-IIBYNOLFSA-N 334.846 6.153 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2s1 4247204 JZGXXEIUYWVSEL-YRNVUSSQSA-N 331.227 5.667 50 40 EKGB CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1 5129904 YLXLFUNWODMUHP-DTQAZKPQSA-N 334.444 5.539 50 40 EKGB N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1ccc(Cl)cc1Cl 16779063 OBPOHGRMEKYWEG-MDWZMJQESA-N 340.213 5.448 50 40 EKGB Cc1ccccc1COc1c(Cl)cc(C(=O)Cl)cc1Cl 218720894 PMRSCQCVJDWUER-UHFFFAOYSA-N 329.610 5.260 50 40 EKGB COc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc12 408548694 LGTTYPNVBCORGL-QNGOZBTKSA-N 335.406 6.066 50 40 EKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 408742882 TWNFFGZAOMIFDK-HYARGMPZSA-N 336.394 5.201 50 40 EKGB O=C(CCCCCl)c1ccc(COc2cc(F)ccc2F)cc1 575358096 JMSQUPBMUWIRHU-UHFFFAOYSA-N 338.781 5.136 50 40 EKGB CCN1c2cc(C)c(/C=C(\C#N)c3ccccc3)cc2[C@@H](C)CC1(C)C 223577529 FZDHZNXHICBNJQ-LANLRWRYSA-N 344.502 6.171 50 40 EKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCC2)c1C 408780881 MPVIWOSQHORPHN-UYRXBGFRSA-N 347.462 5.074 50 40 EKGB Cc1c(/C=C(\C#N)c2cccc(C(F)(F)F)c2)c2ccccc2n1C 408812702 NPRKWTVYKLHBMQ-RVDMUPIBSA-N 340.348 5.570 50 40 EKGB CCOc1cc(/C=C/C#N)cc(Cl)c1OCc1ccc(Cl)cc1 33744462 PXJNOQMUNIPTFH-ONEGZZNKSA-N 348.229 5.508 50 40 EKGB N#C/C(=C\c1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl 408578809 BCPKJWUBRYJEIQ-RMKNXTFCSA-N 343.040 6.364 50 40 EKGB Cc1ccnc(-n2c(C)cc(/C=C(\C#N)c3ccc(F)cc3)c2C)c1 15013826 NEZNLPGRNVNKAZ-XDHOZWIPSA-N 331.394 5.001 50 40 EKGB CCCCCCCc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 3107602 IBDKWNWEKLPRQQ-UHFFFAOYSA-N 341.407 5.327 50 40 EKGB biogenic CCN(CC)c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1 408548179 DSAAGQAXYNJILW-JCMHNJIXSA-N 326.443 5.750 50 40 EKGB Cl[C@H]1CCCC[C@]1(Cl)P(C1CCCCC1)C1CCCCC1 167844139 SMLKRWXGJAIVFB-ROUUACIJSA-N 349.326 7.250 50 40 EKGB C[P+](Cc1c(F)cccc1Cl)(c1ccccc1)c1ccccc1 95671312 HSBMIUZGZHIIGZ-UHFFFAOYSA-N 343.789 5.278 50 40 EKGB C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc(C(C)(C)C)cc1 408599343 SRMMNGVRECVUBW-LFVJCYFKSA-N 344.458 5.291 50 40 EKGB COc1ccc(/C=C(\C#N)c2cccc(C(F)(F)F)c2)cc1Cl 408787179 TZVIJIIIAAPTTB-NTUHNPAUSA-N 337.728 5.432 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3)n2)cc1 509203 GFNLDBUBYLHCLF-FOWTUZBSSA-N 349.434 5.488 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)cc3)n2)cc1C 6478062 HJVWBJMZQUYNRV-YVLHZVERSA-N 332.428 5.197 50 40 EKGB N#C/C(=C\c1cccc(F)c1)c1nc2cc(C(F)(F)F)ccc2s1 12773755 QMQDUVNGKVMZDD-IZZDOVSWSA-N 348.324 5.518 50 40 EKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OC 408585669 GZRWRTGMBZDFFS-ZSOIEALJSA-N 348.229 5.465 50 40 EKGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1 408551190 MDZHNZPTVABMMY-KQWNVCNZSA-N 338.454 5.894 50 40 EKGB O=C(c1cc(C(F)(F)F)ccc1Cl)[C@@H](Cl)c1ccccc1 575360612 NCCJDUWDFMAVPZ-ZDUSSCGKSA-N 333.136 5.522 50 40 EKGB COP(=O)(CCCCCCCCCCCBr)OC 627276261 SWGDEDITTJNGRA-UHFFFAOYSA-N 343.242 5.378 50 40 EKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 2669914 RLALHQSOYQEDSF-XDJHFCHBSA-N 348.446 5.110 50 40 EKGB ClCCN(CCCl)c1ccc(/C=C2\C=Cc3ccccc32)cc1 4822089 XOUXRNLNUYVBTO-OBGWFSINSA-N 344.285 5.538 50 40 EKGB CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(C)cc1 217708680 PJPRXNNYQIGAON-UHFFFAOYSA-N 339.218 5.005 50 40 EKGB N#CC(=C1SC=CS1)c1ncc(-c2ccc(Cl)cc2)s1 67321467 MDWITSJTHBBXBT-UHFFFAOYSA-N 334.878 5.607 50 40 EKGB CCCCCCCCCCC/C(=N\NC(N)=O)c1ccc(C)cc1 100166592 KFPLQWUJGUTBJZ-ZBJSNUHESA-N 331.504 5.288 50 40 EKGB CCOc1ccc2ccccc2c1/C=C(/C#N)c1ccc(C(=O)O)cc1 408545387 YKSYEEABNYKGAJ-AQTBWJFISA-N 343.382 5.001 50 40 EKGB COc1cccc(-n2c(C)cc(/C=C(\C#N)c3cccc(F)c3)c2C)c1 409392417 MKHVKRLRWSMCJK-YBFXNURJSA-N 346.405 5.306 50 40 EKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)c1cccc(Cl)c1 35521452 DEHFEAOCCORUGX-XMHGGMMESA-N 339.825 6.711 50 40 EKGB CC(C)c1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1 5847586 XDHLORVCKLNUAZ-GZTJUZNOSA-N 326.237 5.637 50 40 EKGB BrCc1ccc2oc(-c3cccc4ccccc34)nc2c1 216797266 ZDYRNDCZHVDNPM-UHFFFAOYSA-N 338.204 5.543 50 40 EKGB COc1ccc(-n2cccc2/C=C(/C#N)c2cccc(Cl)c2)cc1 408955512 XMEYWKSBLPMPAZ-SSZFMOIBSA-N 334.806 5.203 50 40 EKGB CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CN=C=S)CCC[C@]21C 33369378 AKTYQDWLPBOJTD-PWRODBHTSA-N 327.537 5.923 50 40 EKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc2ccccc12 211472633 DVTJSNZZICEJLV-UYRXBGFRSA-N 326.399 5.002 50 40 EKGB CCCCCCCN(CCCl)C1c2ccccc2-c2ccccc21 1671513 VKGYNHDHDAQZIZ-UHFFFAOYSA-N 341.926 6.268 50 40 EKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccccc2F)o1 33648885 IXRFQEBEADWQEQ-UVTDQMKNSA-N 348.333 5.367 50 40 EKGB Cc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 560453 WRBRWFZXCMVVIE-FYJGNVAPSA-N 343.401 5.777 50 40 EKGB C#CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl 408579651 JAXHQGZIEDBYIZ-XNTDXEJSSA-N 328.198 5.070 50 40 EKGB COc1ccc(/C(Cl)=C(\C=O)c2ccc(Cl)c(Cl)c2)cc1 1617206 RZUPFVYISCIGQZ-SSZFMOIBSA-N 341.621 5.308 50 40 EKGB N#C/C(=C/c1ccc(Br)cc1)c1cccc2ccccc12 6496598 CBVGHXMOJOMAEB-VBKFSLOCSA-N 334.216 5.666 50 40 EKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1 35079355 CZQJGAIBJWPUCN-ZROIWOOFSA-N 345.229 5.101 50 40 EKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCCCCCC1 59401493 ZDPOQAKIEBVBBV-ZDUSSCGKSA-N 338.904 5.037 50 40 EKGB CCCc1cc(C(=O)NN=C2CCC(C(C)(C)CC)CC2)cs1 17070546 FRJQOYNWPKSRPS-UHFFFAOYSA-N 334.529 5.413 50 40 EKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1 7347988 AAJAZAHWFSQTIK-PDGQHHTCSA-N 345.471 5.712 50 40 EKGB CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\NC(N)=O 17109920 HUFFLSJWXYHJBV-QFVJZTAWSA-N 342.270 5.001 50 40 EKGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)o1 368144 VGDYCULWCHVBCA-WSDLNYQXSA-N 348.789 5.003 50 40 EKGB Cc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(C)n1-c1ccncc1 4688383 XLBUCSRZRMWALK-WOJGMQOQSA-N 333.822 5.207 50 40 EKGB N#C/C(=C/C1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 6846926 IUBTZWGYPQPPEG-GDNBJRDFSA-N 328.868 5.951 50 40 EKGB COc1cccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c1 13615785 BWHULOOAQNJKAL-YVLHZVERSA-N 332.428 5.191 50 40 EKGB FC(F)(F)[C@H](Cl)/C(=C/Oc1cccc(Cl)c1)c1ccccc1 33528487 FVYWMGJCGMIVLX-YVGNARHYSA-N 347.163 5.930 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1 134308 HKEOCPYIAZWGFJ-NTCAYCPXSA-N 348.789 5.146 50 40 EKGB CC/C(C)=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 5787635 COGLMQXTMMZABN-DEDYPNTBSA-N 346.883 5.148 50 40 EKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCCC 409068213 HVRBKQAYVBLRJA-RCCKNPSSSA-N 347.458 5.667 50 40 EKGB O=C(c1ccc(Cl)cc1C(F)(F)F)[C@@H](Cl)c1ccccc1 575361226 UDGFMZUEIFTOPO-ZDUSSCGKSA-N 333.136 5.522 50 40 EKGB CCCCCCCC/C=C\CCCCCCCC(=O)N(C)N(C)C 104046434 ARULNYAKNPKASD-SEYXRHQNSA-N 338.580 5.959 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccccc1F 409394016 UKAHMDFIDRENLA-WQRHYEAKSA-N 334.369 5.437 50 40 EKGB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Cl)c1ccccc1 3269643 CXHBXCVZORPLOB-ZDUSSCGKSA-N 348.151 5.277 50 40 EKGB CCn1c(/C(C#N)=C/c2ccccc2C(F)(F)F)nc2ccccc21 3899787 QDTVHAUKKFVXCF-SDNWHVSQSA-N 341.336 5.139 50 40 EKGB C=C(Nc1ccccc1N)/C(C#N)=C/c1c(Cl)cccc1Cl 6707449 RBJVORGSVOTKFY-FMIVXFBMSA-N 330.218 5.108 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1F 6884299 KPENPXBJGPNIQI-SDNWHVSQSA-N 334.306 5.058 50 40 EKGB Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(C)c1 59133255 FKXOZHDPZMNMCK-MHWRWJLKSA-N 338.838 5.119 50 40 EKGB COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c2ccccc12 107644614 WRFXDHFSZJWTOS-VBKFSLOCSA-N 339.398 5.097 50 40 EKGB CC/C=C/C/C=C/C[C@@H](/C=C/C=C\C/C=C/CCCC(=O)O)OO 299888378 HDMYXONNVAOHFR-LHBWWMSJSA-N 334.456 5.461 50 40 EKGB C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccccc1 409047660 PJGCQBPNJNZCPF-OQLLNIDSSA-N 328.198 5.070 50 40 EKGB BrC(c1cccc2ccccc12)c1cccc2ccccc12 1646279 JTXUIHPHBAGZMF-UHFFFAOYSA-N 347.255 6.477 50 40 EKGB in-vitro CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 4175065 ONMTVNYUSRMZDF-BOPFTXTBSA-N 334.419 5.576 50 40 EKGB C[C@@H]1CCc2nc(/C(C#N)=C\c3ccc(Cl)cc3Cl)sc2C1 33890996 JMNAWIFZAZDKDD-VPMLRQHESA-N 349.286 5.639 50 40 EKGB C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)[C@H](Cl)c1ccccc1 1660092 NWBRQGGAKOXZHH-KKSFZXQISA-N 334.846 6.153 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3)cc2)cc1 4514980 AVVUFGSEDHNBBF-QNGOZBTKSA-N 338.410 5.208 50 40 EKGB CCC/C=N/NC(=O)c1ccc(OCCCCCCCCCC)cc1 100035117 WOKJUFNHRZZPAU-OQKWZONESA-N 346.515 5.722 50 40 EKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 5379898 FKIGUDQKUROCRH-SRZZPIQSSA-N 349.261 5.055 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc([N+](=O)[O-])cc1 6221896 YPBOOTWSMZYFLF-PTNGSMBKSA-N 334.306 5.058 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2cccs2)cs1 13739302 RPEJNGKIGSMPDZ-XYOKQWHBSA-N 328.849 5.589 50 40 EKGB Cc1ccc(Sc2ccc(/C=C(\C#N)c3ccccc3)cc2)cc1 409229160 KOULBTDWYPXDQS-HMMYKYKNSA-N 327.452 6.210 50 40 EKGB C/C=C/C[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1 104186452 HQFLPSCHZBVHLK-NSCUHMNNSA-N 332.427 5.164 50 40 EKGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1 6399450 MJWMLXSKPXVAMW-LGMDPLHJSA-N 338.838 5.228 50 40 EKGB Cc1cccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1C 2281320 BGZXBPBDSGBUPF-SFQUDFHCSA-N 331.444 5.404 50 40 EKGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc2c(s1)CCCC2 8844876 FHOVGLCANGJAPV-XFFZJAGNSA-N 335.259 5.393 50 40 EKGB N#C/C(=C\c1ccc(O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 24842966 KQVAKTSAWSNONN-YRNVUSSQSA-N 346.333 5.085 50 40 EKGB Cl[C@H]1CCCC[C@@]1(Cl)P(C1CCCCC1)C1CCCCC1 167844038 SMLKRWXGJAIVFB-ZWKOTPCHSA-N 349.326 7.250 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 408543038 NBJQFKOHNFSDBY-UWCCDQBKSA-N 345.446 5.421 50 40 EKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccccc3F)o2)cc1[N+](=O)[O-] 6503934 PYLSPAIQQDAAOP-GDNBJRDFSA-N 348.333 5.367 50 40 EKGB C[Si](C)(CCC(F)(F)F)O[Si](C)(C)CCC(F)(F)F 196038265 BTAWOTXFBJKDHI-UHFFFAOYSA-N 326.429 5.318 50 40 EKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)c1ccc(C#N)cc1 409369430 BQWBXMJFEKZAJD-STZFKDTASA-N 330.390 5.929 50 40 EKGB CC(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 72399967 LYDCZICQYSHNFQ-UHFFFAOYSA-N 347.462 5.417 50 40 EKGB in-vitro N#C/C(=C\c1c2ccccc2cc2ccccc12)c1nc2ccccc2[nH]1 5072097 PRPKHXCAWFVMJZ-NBVRZTHBSA-N 345.405 5.933 50 40 EKGB N#C/C(=C/c1ccccc1OCc1ccccc1F)c1ccccc1F 6227074 WLJKJLOUOJLZQR-AQTBWJFISA-N 347.364 5.608 50 40 EKGB Cc1ccc(C2(N=C=S)C(c3ccccc3)=C2c2ccccc2)cc1 5794161 GYKYJFPIBBJQMD-UHFFFAOYSA-N 339.463 5.918 50 40 EKGB COc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408580816 RVIHAQKXGHTACN-IZZDOVSWSA-N 338.621 5.720 50 40 EKGB O=C(F)c1ccccc1N(C(F)(F)F)S(Cl)(Cl)CF 103702508 CESSGEWSGSYNLY-UHFFFAOYSA-N 342.116 5.077 50 40 EKGB CCn1cc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21 408586222 LZJAETPVLCREFZ-NTEUORMPSA-N 341.241 6.032 50 40 EKGB Cc1c(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)c2ccccc2n1C 59302833 PWBKZPXQAIFVTP-RVDMUPIBSA-N 340.348 5.570 50 40 EKGB O=C(/C=C/c1ccc(Cl)cc1)C[C@@H](Cl)c1ccc(Cl)cc1 1685467 YFVNMRBLFHZOEY-DFIVBLOKSA-N 339.649 5.946 50 40 EKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)c(C)c1 409394143 WHLCLRWUUDPMCQ-MTJSOVHGSA-N 344.433 5.914 50 40 EKGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12 6410867 GJPJKKCYVPNMOI-LFIBNONCSA-N 332.790 5.039 50 40 EKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(C(C)(C)C)c3C)[nH]c2c1 50704912 MCLZSQPSDDANPN-BOPFTXTBSA-N 332.451 5.109 50 40 EKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)c1cccc(C#N)c1 408566149 DPLBQTVWFXWPAN-KGENOOAVSA-N 330.390 5.929 50 40 EKGB N#C/C(=C/c1ccc(N2CCCC2)cc1F)c1ccc2ccccc2c1 109017649 XOKGNQFUYSADSQ-STZFKDTASA-N 342.417 5.643 50 40 EKGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1 408771837 IMPHXDMUNWQVTI-XNTDXEJSSA-N 349.773 5.362 50 40 EKGB COc1cc(/C=C/C#N)cc(Cl)c1OCc1ccccc1Cl 107964092 LGBLAHIPMOZMOH-SNAWJCMRSA-N 334.202 5.118 50 40 EKGB [N-]=[N+]=N[C@@H](c1ccccc1)[C@H](I)c1ccccc1 4946493 CXDXFIIGFFUSBP-KGLIPLIRSA-N 349.175 5.214 50 40 EKGB C[C@H](COOC(C)(C)C)c1cccc([C@@H](C)COOC(C)(C)C)c1 59742167 LABVSEXGUJJTOX-IYBDPMFKSA-N 338.488 5.387 50 40 EKGB CC(C)n1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21 107603090 FFGZQTRMLPKIHP-YBEGLDIGSA-N 331.375 5.195 50 40 EKGB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CCl)cc2)cc1 3281081 WNSGRYBMASEHGC-UHFFFAOYSA-N 331.843 5.344 50 40 EKGB N#C/C(=C\c1ccc(F)c(-c2cccs2)c1)c1nc2ccccc2[nH]1 98055035 TXYFEWFEFYZVAQ-GXDHUFHOSA-N 345.402 5.495 50 40 EKGB O=C(c1c2ccccc2cc2ccccc12)[C@H](Cl)c1ccccc1 575357044 SHQPIMPHFLCPRI-OAQYLSRUSA-N 330.814 6.156 50 40 EKGB CC(C)c1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1 4156308 FAKSXFDYMMZWNC-UHFFFAOYSA-N 334.463 5.254 50 40 EKGB CCCCCCCCC(=O)N/N=C/c1cccc(Cl)c1Cl 97965567 ZCLRGDWUFZPWER-XDHOZWIPSA-N 329.271 5.194 50 40 EKGB ClC[C@@H](Cl)CCCCCCCCCC[C@@H](Cl)CCl 100134285 RUUXQUXRZDFJEA-OKILXGFUSA-N 336.174 6.580 50 40 EKGB Cc1c(C(=O)CCCCCBr)cccc1-c1ccccc1 575358251 DSNDGAZTDJMQRZ-UHFFFAOYSA-N 345.280 5.800 50 40 EKGB N#C/C(=C\c1cccc2ccccc12)c1ccc(Br)cc1 114653 LOUXKCUSJGKAKD-SFQUDFHCSA-N 334.216 5.666 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccccc2F)cc1Br 6439732 BMUCOCSKSYXHAC-LCYFTJDESA-N 346.199 5.051 50 40 EKGB CC(C)[C@H]1CC(/C=C/c2ccc(N(C)C)cc2)=CC(=C(C#N)C#N)C1 16575018 FZFDDUYAFJTWRG-UEKDZROGSA-N 331.463 5.102 50 40 EKGB ClCCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 95811170 ZBHUHAYVUQNCIN-UHFFFAOYSA-N 328.670 5.234 50 40 EKGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1 213114789 HKKXBLFLAOKHHF-RGEXLXHISA-N 348.446 5.028 50 40 EKGB CCCCCCCc1ccc(C(=O)CCCCBr)cc1 575357628 UPAMSJNBIREBLL-UHFFFAOYSA-N 339.317 5.947 50 40 EKGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1cccc(C(F)(F)F)c1 59137983 GHOUDXBZIPFOQD-QINSGFPZSA-N 346.352 5.353 50 40 EKGB ClCCCCCCCCCCCCCCCCBr 104958139 PCTVSOUOSQBLFG-UHFFFAOYSA-N 339.789 7.082 50 40 EKGB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)c3ccccc3)c2c1 408777226 WWYDDSVLBMTIPB-XMHGGMMESA-N 343.426 5.701 50 40 EKGB CC(C)c1cc(/C=C(\C#N)c2cccc(Cl)c2)cc(C(C)C)c1O 408851575 DAOJOBDJHYDVMZ-CAOOACKPSA-N 339.866 6.357 50 40 EKGB CC[C@@H](Cl)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575359091 PXNGYVBXDBGOLJ-OAQYLSRUSA-N 349.861 6.357 50 40 EKGB CCCCOc1ccccc1/C=C(\C#N)c1nc2ccccc2s1 4423442 MYOQBBOYEYDHGK-DTQAZKPQSA-N 334.444 5.539 50 40 EKGB N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc2ccccc2s1 12062373 BKLMGKZOTKPJNB-KTKRTIGZSA-N 346.242 5.580 50 40 EKGB ClCc1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 73635364 LDYSLHGMYSZZJS-UHFFFAOYSA-N 328.651 6.009 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1F 33499597 VWDXVYPFJQMCAI-ACCUITESSA-N 334.306 5.058 50 40 EKGB N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc2ccccc12 58353 QEFTVTCOHNHUPX-JOCHJYFZSA-N 348.405 5.211 50 40 EKGB Cc1cccc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 4174882 KGCKAJPDGCMKET-YBEGLDIGSA-N 347.399 5.091 50 40 EKGB Cc1cc(C)c([P@](=O)(Cl)C(Cl)=C(Cl)Cl)c(C)c1 103437703 JNJXDUFRYIDWLH-QGZVFWFLSA-N 331.994 5.597 50 40 EKGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408568022 RNUGZQAPEHSJJA-YHYXMXQVSA-N 332.165 5.073 50 40 EKGB N#C/C(=C\C=C\c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 6846930 HVPSEKSTDHKCNQ-ITPRVWRUSA-N 338.819 5.677 50 40 EKGB CC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(O)c3ccccc3C2=N1 102488258 BFXDITHFXWQOCN-HXUWFJFHSA-N 340.426 5.477 50 40 EKGB CCCCCCCCCCCCCCCCCCOC(=O)CCl 100309383 HDNSRULOUMXYKG-UHFFFAOYSA-N 346.983 7.030 50 40 EKGB O=C(Cl)c1cc(-c2ccccc2)nc2cc(Br)ccc12 199565214 ZCRNCOWBBBPBHO-UHFFFAOYSA-N 346.611 5.043 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc(F)cc2)cc1Cl 4545775 WUYULVAJSXESNQ-ATTDUZETSA-N 329.802 5.721 50 40 EKGB O=C(c1cccc(OCc2ccccc2)c1)[C@H](Cl)c1ccccc1 310113474 BKUKHYWHICHMGG-HXUWFJFHSA-N 336.818 5.428 50 40 EKGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(Cl)c1 145276 JKYILKKJJWOTJM-NTEUORMPSA-N 345.229 5.156 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1C 224522 NCSRGFBJPCDUBO-RIYZIHGNSA-N 345.229 5.156 50 40 EKGB COc1ccc(/C=C(\C#N)Sc2ccc(Br)cc2)cc1 3305474 NCOJSORHEATFNN-MHWRWJLKSA-N 346.249 5.114 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C)c3)n2)cc1 13773740 UTRKMRRLGRFFMZ-SFQUDFHCSA-N 331.444 5.404 50 40 EKGB Cc1cc2nc(/C(C#N)=C\c3ccc(-c4ccccc4)o3)[nH]c2cc1C 107880237 XUXHLEBJTUNTSS-ATVHPVEESA-N 339.398 5.504 50 40 EKGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)cc1 6026844 WJCWEIAGSLYNRW-ZHZULCJRSA-N 344.433 5.860 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(F)cc3)n2)cc1C 6478058 PYXAEAAKJJMCIA-YVLHZVERSA-N 334.419 5.630 50 40 EKGB CCOc1cc(/C=C/C#N)ccc1OCc1ccc(Cl)c(Cl)c1 6844849 ZRJWXLCXQPCDIF-ONEGZZNKSA-N 348.229 5.508 50 40 EKGB CCO[Si](CCCCCCCCCCCC#N)(OCC)OCC 198066061 XXUXSMAFHCEKNZ-UHFFFAOYSA-N 343.584 5.459 50 40 EKGB Cc1ccc(/C=C(\C#N)c2nc(C)c(/N=N/c3ccccc3)s2)cc1 4419421 OMNGPHLQIWXONJ-BLXZHEFOSA-N 344.443 6.240 50 40 EKGB CCc1ccccc1-n1c(C)cc(/C=C(\C#N)c2ccc(F)cc2)c1C 23382849 DGKSWBRTYJCORB-KGENOOAVSA-N 344.433 5.860 50 40 EKGB Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 3080346 BSLBAQJGNZLVCX-BUVRLJJBSA-N 338.410 5.065 50 40 EKGB CCCCCCCCC(=O)N/N=C(/C)C12CC3CC(CC(C3)C1)C2 100165917 YCTCQUUBCBTWAB-JWGURIENSA-N 332.532 5.446 50 40 EKGB O=C(Cl)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 218723733 SFUDYVITVACKPR-SOFGYWHQSA-N 341.621 5.351 50 40 EKGB O=C(c1ccc2ccccc2c1)[C@H](Cl)[C@@H](Cl)c1ccccc1 1685483 ZWUJWOWMHSVEQS-ZWKOTPCHSA-N 329.226 5.610 50 40 EKGB COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1 12806102 UVMKDYUOHCJREB-XNTDXEJSSA-N 336.391 5.022 50 40 EKGB ClC1=C(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@H]3[C@@H]1[C@H](Cl)C[C@H]32 95864983 GSNLXLNDMLYEEK-HZNDFHNESA-N 338.876 5.229 50 40 EKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(OC)cc1 408583601 VUOYEEXDILFINI-XDJHFCHBSA-N 343.426 5.701 50 40 EKGB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN=C=S 4254165 AKTYQDWLPBOJTD-PCCBWWKXSA-N 327.537 5.923 50 40 EKGB in-vitro C1C2CC3CC1CC(SSC14CC5CC(CC(C5)C1)C4)(C2)C3 4277087 YZEIBKZXLUKRGZ-UHFFFAOYSA-N 334.594 6.305 50 40 EKGB CCCCCC1=CCC/C1=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2 7191678 MBJNBNBLKOCIRP-LQFHHUIYSA-N 344.524 5.259 50 40 EKGB Cl[C@@H]1CCCC[C@@]1(Cl)P(C1CCCCC1)C1CCCCC1 167844255 SMLKRWXGJAIVFB-QZTJIDSGSA-N 349.326 7.250 50 40 EKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OC 6354944 IFZHIOWOZSEIJS-AQTBWJFISA-N 329.399 5.311 50 40 EKGB N#C/C(=C/c1cccn1-c1ccccc1)c1ccc(Cl)cc1Cl 59679770 NFFRPHDYDGDPKS-KAMYIIQDSA-N 339.225 5.848 50 40 EKGB CCc1cc2c(c3ccc(C(=O)CBr)cc13)CCC[C@H]2C 2048581 TVNVGILMXJIXKP-GFCCVEGCSA-N 345.280 5.420 50 40 EKGB C[C@H]1C(=O)Nc2ccc(-c3csc(C(C#N)=C4CCCCC4)n3)cc21 8297325 XUXWVNLHAODERE-GFCCVEGCSA-N 349.459 5.107 50 40 EKGB CC(/C=C/c1ccccc1)=N/NC(=O)c1ccc(-c2ccccc2)cc1 4595428 VLHVGMJCWOMOAO-UQODDXQYSA-N 340.426 5.173 50 40 EKGB Clc1ccc(-c2nc3ccc(CBr)cc3s2)cc1 73740254 ISVMNUYHRBWYMA-UHFFFAOYSA-N 338.657 5.512 50 40 EKGB C[C@]12CC[C@@H](Br)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)CCC[C@H]12 253617200 BJTCHUWBZZQPHW-LPJTWDLVSA-N 339.361 6.183 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 408753297 GDVVRBVVCPVSHC-GZTJUZNOSA-N 332.790 5.039 50 40 EKGB S=C(Oc1ccccc1)SSC(=S)Oc1ccccc1 1571875 DGVTWRJWSFKBJP-UHFFFAOYSA-N 338.500 5.096 50 40 EKGB Br[C@H](c1ccccc1)[C@H](Br)c1ccccc1 1747111 GKESIQQTGWVOLH-ZIAGYGMSSA-N 340.058 5.259 50 40 EKGB biogenic N#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 408858570 QJCGCOJSLKRVRK-GHRIWEEISA-N 342.364 5.370 50 40 EKGB N#C/C(=C/c1ccccc1OCc1ccccc1F)c1cccc(F)c1 409389993 DCSWGKOAROOAKM-UNOMPAQXSA-N 347.364 5.608 50 40 EKGB CC(C)(C)c1ccc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)cc1 39380658 BGOAFEHVKNESHG-NDENLUEZSA-N 338.410 5.065 50 40 EKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1 408580427 PLHOMPOLSBVGMR-FOWTUZBSSA-N 342.236 5.302 50 40 EKGB O=C(c1ccc(C(F)(F)F)c(Cl)c1)[C@@H](Cl)c1ccccc1 575360343 DBJPYIZPLCDHQA-ZDUSSCGKSA-N 333.136 5.522 50 40 EKGB N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 532456 IFBRDMGSYXQGPW-ZHACJKMWSA-N 345.349 5.292 50 40 EKGB CC(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 4175073 VIMPVHCNDWBNAD-WQRHYEAKSA-N 348.446 6.137 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1-c1cccc2ccccc12 7779188 NNNRPYYRVYNZRS-RCCKNPSSSA-N 349.437 5.707 50 40 EKGB CCc1ccc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 44827324 NVZARXQJQWLTRK-WOJGMQOQSA-N 346.455 5.445 50 40 EKGB N#C/C(=C\c1cccc2ccccc12)Sc1nc2ccccc2[nH]1 408598477 BGHMNTBIJGWPPQ-FOWTUZBSSA-N 327.412 5.373 50 40 EKGB C[C@H]1CCC/C(=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 67191238 HVLIURVQVZZHHV-XQTVBXIXSA-N 328.868 5.951 50 40 EKGB Cc1cccc([C@H](C)CCCCN(CCCl)CCCl)c1C 3151783 XWKFTBAOUWWYIA-MRXNPFEDSA-N 330.343 5.357 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(F)cc3)n2)cc1 6356349 DKDJTJDRUMGZOB-BOPFTXTBSA-N 334.419 5.576 50 40 EKGB CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408600967 HWHHPRPRAPUBSH-AMRJIULGSA-N 348.446 5.026 50 40 EKGB CC[C@H](C)n1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc21 408541726 HKFYOYCYQIWCLH-BRYHAGSVSA-N 344.414 5.375 50 40 EKGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2cccc(F)c2)cc1Cl 409389029 AEMXALOEGIFGHC-AUWJEWJLSA-N 346.188 5.209 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1Br 409394205 XDJYDWRSUZZJTN-ZSOIEALJSA-N 346.199 5.051 50 40 EKGB Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c1 2280707 AYGWXWFSCQFIKY-WJDWOHSUSA-N 349.434 5.543 50 40 EKGB N#C/C(=C\c1ccc(Sc2ccccc2)o1)c1nc2ccccc2[nH]1 4738980 LKTMGZNIDGUQGK-WYMLVPIESA-N 343.411 5.371 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)cc1C 223166245 OVPBXZDSKADBNV-LCYFTJDESA-N 345.229 5.156 50 40 EKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1 408579892 LDVJVONOWYVDPM-XNTDXEJSSA-N 332.230 5.846 50 40 EKGB N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 3909202 HEIJOCMJBDDAAD-WYMLVPIESA-N 344.805 5.071 50 40 EKGB CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N\NC(N)=O 5640238 HUFFLSJWXYHJBV-MUBRZRMLSA-N 342.270 5.001 50 40 EKGB CCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 44827318 ABAASJSEJZTDHW-XDHOZWIPSA-N 344.483 6.054 50 40 EKGB O=C(Cl)c1ccccc1Sc1ccc(Cl)c2ccccc12 2187399 YESSYWLBOHDLNE-UHFFFAOYSA-N 333.239 6.023 50 40 EKGB C/C=C/C[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1 104938880 BHTORTGZPSXZFT-NSCUHMNNSA-N 331.419 5.431 50 40 EKGB Cc1cc(C)c(COc2ccc(Cl)cc2)c(C)c1C=C(C#N)C#N 135419 GOELSIHDVCDOKH-UHFFFAOYSA-N 336.822 5.275 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C\c3cccc(C)c3)n2)cc1 4174869 WHAIOYWYBISPJC-BOPFTXTBSA-N 332.428 5.191 50 40 EKGB C=CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408579600 ILDWZKFLRUERLQ-GXDHUFHOSA-N 330.214 5.622 50 40 EKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1 408742918 QODSJVFHFJHAGN-JXAWBTAJSA-N 340.382 5.025 50 40 EKGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 2669626 BHVQWWJXRIQJMV-WYMLVPIESA-N 343.810 5.240 50 40 EKGB N#C/C(=C\c1ccc(Cl)cc1)c1nc2c(s1)CCc1ccccc1-2 4980080 QHWWUBQCHJDPMP-RVDMUPIBSA-N 348.858 5.626 50 40 EKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)c1ccccc1 5788800 WUCJRGHOOSDZKG-RCCKNPSSSA-N 339.394 5.055 50 40 EKGB CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC 408581705 YYOIQYZIJDBPAC-LICLKQGHSA-N 341.838 5.510 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 101424 LTUUDIZPYJPYFG-SDNWHVSQSA-N 340.209 6.318 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 501577 RLUMHKJJQDOYJY-FOWTUZBSSA-N 349.434 5.488 50 40 EKGB Cc1sc(C(=O)N/N=C/C=C/c2ccccc2)cc1-c1ccccc1 2049246 JUJYPUSEIMSETG-VMIYJPFUSA-N 346.455 5.153 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 96398829 WEMCIFFDZYFQIJ-RGEXLXHISA-N 338.435 6.027 50 40 EKGB N#C/C(=C\c1cccn1-c1ccc(Br)cc1)c1ccccc1 408852508 GQQGYGQVGCVRJF-DTQAZKPQSA-N 349.231 5.304 50 40 EKGB CCCCCCCCCC[C@@H](CCl)OCCOCCCl 100924684 UAHVXBQXNLCTGG-INIZCTEOSA-N 327.336 5.397 50 40 EKGB C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)C(C)(C)C 408785527 ZZHVJYXEGCDYRO-RCCKNPSSSA-N 340.492 5.131 50 40 EKGB CCCc1ccc(-c2ccc(C(=O)[C@H](Cl)c3ccccc3)cc2)cc1 575358772 CKAQXKCHAPUKKS-JOCHJYFZSA-N 348.873 6.469 50 40 EKGB COc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1 4372965 MURIBNHXSMEVMJ-UHFFFAOYSA-N 330.472 5.086 50 40 EKGB COc1cc(C)c(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1OC 8300786 FMVRPRNQHKJYMM-QPEQYQDCSA-N 348.229 5.383 50 40 EKGB O=[N+]([O-])c1cc(S(F)(F)(F)(F)F)ccc1C(Cl)Cl 103860478 JPJUUBLOJOAITH-UHFFFAOYSA-N 332.077 5.728 50 40 EKGB CCCCCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 2790431 FUHTVOAHXJTDKI-CJLVFECKSA-N 340.467 5.136 50 40 EKGB CC(C)[Si](Oc1ccccc1OC(F)(F)F)(C(C)C)C(C)C 196307165 AOCIJXLHROORTK-UHFFFAOYSA-N 334.454 6.140 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1 408553441 ZCINKRBWNMWVHA-XYGWBWBKSA-N 331.418 6.571 50 40 EKGB O=C(N/N=C/c1ccccc1Cl)c1cc2c(ccc3ccccc32)o1 368158 FECZMVHDCAMSMR-WSDLNYQXSA-N 348.789 5.003 50 40 EKGB Cc1ccc(N/C=C(\C=O)c2nc3cc(Cl)ccc3o2)cc1Cl 2740809 NMGZMQACQFCCRZ-DHZHZOJOSA-N 347.201 5.095 50 40 EKGB Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(O)cc1 2849040 JIFKMQLYXLHTQQ-LDADJPATSA-N 348.833 5.517 50 40 EKGB CCCCCCC(CCCCCC)=NNC(=O)c1ccc(C)cc1C 6427102 VQNSLTQLLVFSQP-UHFFFAOYSA-N 344.543 6.330 50 40 EKGB C[C@H]1Cc2cc(/C=C(\C#N)c3ccc(Cl)cc3Cl)ccc2O1 10298622 WCPGYMSSUKCPPR-KYJZABPNSA-N 330.214 5.381 50 40 EKGB N#CC(C#N)=C(Nc1cccc(F)c1)SCc1ccc(Cl)cc1 6505786 CSLJVINKTFSKDU-UHFFFAOYSA-N 343.814 5.083 50 40 EKGB N#C/C(=C/c1cc(Cl)cc(Cl)c1O)c1nc2ccccc2s1 16545357 FAFLTBMUCBXRAV-YHYXMXQVSA-N 347.226 5.373 50 40 EKGB c1ccc2c(c1)N[C@H](SS[C@@H]1Nc3ccccc3S1)S2 17423126 LSIWVWVYFGQFSQ-OKILXGFUSA-N 336.532 5.371 50 40 EKGB N#C/C(=C\c1csc2ccccc12)c1nc(-c2ccccc2)cs1 98054178 FONVRHHWZSBDDU-XNTDXEJSSA-N 344.464 6.089 50 40 EKGB O=C(Cl)/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 8729538 CZDLJVUZHAYIRR-ZZXKWVIFSA-N 335.108 5.397 50 40 EKGB Cc1ccc(CC(=O)NN=C2CCCCCCCCCCC2)cc1 4405609 IENXATNLKSZKDC-UHFFFAOYSA-N 328.500 5.314 50 40 EKGB N#C/C(=C\c1cccc2ccccc12)Sc1nc2ccccc2s1 107667648 BOOCTQXENLKKBK-FOWTUZBSSA-N 344.464 6.106 50 40 EKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1 4670605 IVCUWJQVROBCDN-RCCKNPSSSA-N 339.394 5.055 50 40 EKGB CC[C@H](C)Oc1ccccc1/C=C(/C#N)c1cccc2ccccc12 6356037 JAXCIJYLYLHNID-SWEXZPIWSA-N 327.427 6.081 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 13601417 IDCCFSPCYAYFKE-UYRXBGFRSA-N 343.386 5.067 50 40 EKGB N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 5416633 SJZNZXRFFWMXNN-XYOKQWHBSA-N 330.334 5.379 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C)c3C)n2)cc1 6421334 GQSFDHBFZVLDLK-LDADJPATSA-N 345.471 5.712 50 40 EKGB CCCCC/C=C/C[C@@H](/C=C/C=C\C/C=C/CCCC(=O)O)OO 150375469 ZIOZYRSDNLNNNJ-LBLCXRALSA-N 336.472 5.685 50 40 EKGB O=C(Cl)c1ccc(-c2nc3ccc(F)cc3s2)cc1Cl 45923336 GYWRJMWWBASMHC-UHFFFAOYSA-N 326.179 5.135 50 40 EKGB CCCCC[C@@H](/C=C/C=C/C/C=C/C/C=C/CCCC(=O)O)OO 135981580 BFWYTORDSFIVKP-IXNHTQMRSA-N 336.472 5.685 50 40 EKGB CCCOc1cccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c1 408579539 HMPHHJFJAKIEHH-NTEUORMPSA-N 332.230 5.846 50 40 EKGB O=C(CCCCBr)c1ccc(C(F)(F)F)c(Cl)c1 575360601 MMAZKHLHBUFWGI-UHFFFAOYSA-N 343.570 5.107 50 40 EKGB O=C([C@@H](Cl)c1ccccc1)N1c2ccccc2CCc2ccccc21 193924 CHIQMAZRNRMOSD-NRFANRHFSA-N 347.845 5.430 50 40 EKGB CCCCCCCCCCCC[S@@](=O)C[C@@H](Cl)CCl 100245939 JIDSQDYITUKUPT-KXBFYZLASA-N 329.377 5.502 50 40 EKGB O=C(Cl)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 217706540 SROARWSTJBYQTC-UHFFFAOYSA-N 333.573 5.091 50 40 EKGB CCCCCCCCCCCC[S@@](=O)C[C@H](Cl)CCl 100245928 JIDSQDYITUKUPT-BEFAXECRSA-N 329.377 5.502 50 40 EKGB COc1cc2c(cc1OC)[C@@H](Cl)C(c1ccc(F)cc1)=C2Cl 1617196 YISDENDIROCIBC-MRXNPFEDSA-N 339.193 5.244 50 40 EKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 1977573 JOSOMBBJMUQMRN-AQTBWJFISA-N 342.354 5.451 50 40 EKGB CCCCCCCCCCP(=O)(c1ccccc1)c1ccccc1 3124731 XTSHFXZAYGLGEO-UHFFFAOYSA-N 342.463 6.141 50 40 EKGB ClCCN(CCCl)c1cc(Cl)ccc1Oc1ccccc1 1690503 GMZYCKZLQWESFH-UHFFFAOYSA-N 344.669 5.416 50 40 EKGB Cc1cc(C(C)(CCCCl)c2cc(C)c(O)c(C)c2)cc(C)c1O 2556095 ADQHFRACHCWNQW-UHFFFAOYSA-N 346.898 5.656 50 40 EKGB CCn1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21 408599114 OUVTVBDFDUINCP-RVDMUPIBSA-N 344.443 5.194 50 40 EKGB N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)cs1 4808594 OUIVFFYEUVJSHW-RAXLEYEMSA-N 339.370 5.065 50 40 EKGB C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NN(c1ccccc1)c1ccccc1)C2 100261561 HVWBUTCMBXEGFB-JPYJTQIMSA-N 346.474 5.238 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1Cc1ccccc1 107995028 CVHQHEXYPSRPAO-MOSHPQCFSA-N 330.406 5.357 50 40 EKGB Cc1cc(C(=O)CCl)c(C)n1C(c1ccccc1)c1ccccc1 3888112 JSHXDEJBKVFULM-UHFFFAOYSA-N 337.850 5.164 50 40 EKGB N#C/C(=C\c1ccc(F)c(F)c1)c1nc2cc(Cl)ccc2s1 12865114 DQODKJJRCOYTCQ-BJMVGYQFSA-N 332.762 5.292 50 40 EKGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C#N)[C@@]4(C)CC[C@@H]32)C1 25628947 WZQZIPUKBWHLFY-FQBUEQEESA-N 341.495 5.021 50 40 EKGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1ccc(Cl)cc1 33658311 WCVNNJOYGVLELA-BOPFTXTBSA-N 340.829 5.452 50 40 EKGB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Cl)c1ccccc1 3269645 CXHBXCVZORPLOB-CYBMUJFWSA-N 348.151 5.277 50 40 EKGB N#C/C(=C\c1c(O)ccc2ccccc12)c1nc2ccccc2s1 5379709 FRYBJRGPLXPIJP-SDNWHVSQSA-N 328.396 5.219 50 40 EKGB O=C(Cl)Cc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 41127425 JIVRWCMTXUQETE-UHFFFAOYSA-N 347.801 5.470 50 40 EKGB CC(C)[Si](Oc1cc(F)c(F)c(C(=O)O)c1)(C(C)C)C(C)C 219799890 WQGODMURHQYTRA-UHFFFAOYSA-N 330.447 5.217 50 40 EKGB N#C/C=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 6005378 QOOXKGVZACWCAL-UPHRSURJSA-N 331.215 5.521 50 40 EKGB Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccc(F)cc1 408566414 GGHLZPHAUYTFGX-NDENLUEZSA-N 341.389 5.169 50 40 EKGB O[C@@H](CCl)c1ccc2ccc3c(c2c1)Nc1ccccc1S3 1563260 TZYCHILHXXTUTB-HNNXBMFYSA-N 327.836 5.320 50 40 EKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(C(=O)O)cc1 408544082 UONJUVURMRZADY-WJDWOHSUSA-N 349.773 5.362 50 40 EKGB Cc1ccc(-c2csc(NC(=O)[C@H](Cl)c3ccccc3)n2)cc1 3268120 BWRYNRGNDMHXKK-MRXNPFEDSA-N 342.851 5.037 50 40 EKGB N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 4599043 BULMCVQNYCIRAF-NTCAYCPXSA-N 339.225 5.848 50 40 EKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\c3ccco3)n2)cc1 6306939 NZKZRGUVFVVOMW-BOPFTXTBSA-N 334.444 5.666 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2s1 15230289 IFCQMNGPKZGTBF-KAMYIIQDSA-N 346.386 5.760 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1Cl 409010286 BUCKACNPJUGQJZ-LWLPBDFMSA-N 346.257 6.235 50 40 EKGB COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1 44827367 DSUKZFMPFKPCRE-VCHYOVAHSA-N 346.455 5.500 50 40 EKGB CC/C=C/C/C=C/C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO 299888377 HDMYXONNVAOHFR-CHMNHXJCSA-N 334.456 5.461 50 40 EKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OC)c(Cl)c2)cc1 408580549 CHIVFDPRBMGPJE-NTUHNPAUSA-N 334.202 5.075 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCO2 409360752 FSZLUIXZWMLYIX-DHDCSXOGSA-N 349.773 5.393 50 40 EKGB N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 4071050 GTPKXCJHSVKYTP-OBGWFSINSA-N 340.382 5.025 50 40 EKGB O=C(CCl)c1cnc(N(c2ccccc2)c2ccccc2)s1 16488083 PLTLGFRQKSAKOM-UHFFFAOYSA-N 328.824 5.034 50 40 EKGB Cc1ccccc1Cn1cc(/C=C(/C#N)c2ccccc2)c2ccccc21 409366553 WCAAVVWDXPUYAS-JCMHNJIXSA-N 348.449 6.062 50 40 EKGB N#CC(C#N)=C(Nc1ccccc1Cl)SCc1cccc(F)c1 125303 BRKHKQBSJDWKHB-UHFFFAOYSA-N 343.814 5.083 50 40 EKGB [N-]=[N+]=N[C@H](c1ccccc1)[C@@H](I)c1ccccc1 4946496 CXDXFIIGFFUSBP-UONOGXRCSA-N 349.175 5.214 50 40 EKGB CCCCCCCCCN1C=C/C(=C\C=C(C#N)C#N)c2ccccc21 100167767 YKQXBBAKXXQIBQ-KGENOOAVSA-N 345.490 6.128 50 40 EKGB COc1ccc(OC)c(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1 408589086 YKQUIVRWQUMAGV-QPEQYQDCSA-N 334.202 5.075 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(F)ccc3C)n2)cc1 4135185 KHKXPOHVBXLRQX-LFIBNONCSA-N 349.434 5.543 50 40 EKGB N#C/C(=C\c1cccs1)c1nc(-c2cccc3ccccc23)cs1 4292678 JLHBRCBDBHNYAR-RVDMUPIBSA-N 344.464 6.089 50 40 EKGB CCCCCCc1ccc(C(=O)CCCCBr)cc1 575357524 PVHMSGOFZPWEFV-UHFFFAOYSA-N 325.290 5.557 50 40 EKGB O=C(CCCCCl)c1ccc(Br)c(C(F)(F)F)c1 575362639 PHYWBWRNSMBKQG-UHFFFAOYSA-N 343.570 5.060 50 40 EKGB CC(C)COc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1 6306881 CIMKUDBBOCZCQX-XSFVSMFZSA-N 327.427 5.939 50 40 EKGB Cc1ccc(C)c(N/C(S)=C(/C#N)c2nc3ccccc3s2)c1 96996703 XBVGTQVOIMWWAJ-GHRIWEEISA-N 337.473 5.147 50 40 EKGB Cc1ccc(COc2cccc(/C=C(\C#N)c3ccc(C)cc3)c2)cc1 408579250 FIPPVTIOEVTVRP-OEAKJJBVSA-N 339.438 5.947 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2cccc(F)c2)cc1Cl 409389313 ASVCVVLHCDHYDS-WJDWOHSUSA-N 336.797 5.642 50 40 EKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OC(C)C 409394071 VEUYWAMFHMRPLO-CHHVJCJISA-N 345.801 5.339 50 40 EKGB CC/C(=N\NC(=O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 20551574 JTOWDMNJXLDBTQ-RELWKKBWSA-N 344.886 5.052 50 40 EKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(\C#N)c3ccccc3)cc21 208473249 YNJPHXKPJURVFM-VCHYOVAHSA-N 348.877 6.036 50 40 EKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(F)c3)n2)cc1C 502276 RPLZFZPMOBKFNV-LFIBNONCSA-N 349.434 5.543 50 40 EKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1C 100717267 BGZXBPBDSGBUPF-ATVHPVEESA-N 331.444 5.404 50 40 EKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(Cl)cc3Cl)[nH]c2c1 33926858 QQXFZURIMBXICN-GHXNOFRVSA-N 328.202 5.242 50 40 EKGB CCN1c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc2C(C)=CC1(C)C 208506236 DYTADVRGLVJMOD-UNOMPAQXSA-N 346.449 5.912 50 40 EKGB N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 3273734 COJVGGQVZOQOIS-UHFFFAOYSA-N 346.393 5.123 50 40 EKGB CC(C)Oc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1 408581775 ZGZPQGZCSGPIAA-LFIBNONCSA-N 342.236 5.300 50 40 EKGB CC(=O)Nc1ccc(-c2csc(C(C#N)=C3CCCCC3)n2)cc1 7846501 IIJYLTDWJBSXIU-UHFFFAOYSA-N 337.448 5.010 50 40 EKGB C[C@@H](CO)[C@H]1CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C 200415306 DGEVWAPMMLVXQF-WAXPSYRMSA-N 326.597 5.222 50 40 EKGB N#C/C(=C\c1ccc2cccc(Cl)c2n1)c1nc2ccccc2s1 9061083 BETSWNATMUXESO-JLHYYAGUSA-N 347.830 5.562 50 40 EKGB Cc1ccc([C@@H](C)CCCCN(CCCl)CCCl)c(C)c1 98048264 LMGWNCSARULGDV-INIZCTEOSA-N 330.343 5.357 50 40 EKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OC(C)C 408548347 GREOVSCZVARCNR-MTJSOVHGSA-N 343.426 5.700 50 40 EKGB Cc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(F)cc1N1CCCC1 9265329 RJIFZSJGLIFNOD-LICLKQGHSA-N 340.829 5.452 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)O)cc1 2890182 WJQFZOKEYIYUGZ-STZFKDTASA-N 325.367 5.116 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C\c3ccccc3OC)n2)cc1 6356358 ICUXBCREGXOXHC-PDGQHHTCSA-N 346.455 5.445 50 40 EKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(\C#N)c3ccccc3)cc21 208450084 OOJGDSCAEJSUOI-UDWIEESQSA-N 328.459 5.691 50 40 EKGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 107861494 FYMCPGZDYSCOGG-YAJBTMAUSA-N 345.446 5.421 50 40 EKGB Cc1ccc(S[C@H](C)C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 4699629 QNYXLFZHMZOLFO-AAFJCEBUSA-N 346.540 5.184 50 40 EKGB N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)c1ccccc1F 6269906 FENXQUWBIXLWNC-SDXDJHTJSA-N 342.417 5.643 50 40 EKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)c(C)c1 59133226 ZYIMDSDWNGVCLX-QGOAFFKASA-N 332.447 5.147 50 40 EKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 218722578 SLVYOWCULPUQLJ-FPYGCLRLSA-N 341.621 5.351 50 40 EKGB CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1Cl 408580706 RCDXTQKBTLGOJS-CXUHLZMHSA-N 346.257 6.155 50 40 EKGB Cc1ccc(N/C(S)=C(\C#N)c2nc3ccccc3s2)c(C)c1 12564787 YXLXENPMDFWHNE-LGMDPLHJSA-N 337.473 5.147 50 40 EKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1cccc(Cl)c1 408599798 ZYNUCJFMCMJFTD-QGOAFFKASA-N 347.845 6.345 50 40 EKGB O=C(CCl)N1c2ccccc2Sc2c1ccc1ccccc21 1697164 FMZRZAWQHRDTEP-UHFFFAOYSA-N 325.820 5.208 50 40 EKGB COc1cccc(-n2c(C)cc(/C=C(\C#N)c3ccccc3F)c2C)c1 107660381 KIQRIXCZTUGELH-LDADJPATSA-N 346.405 5.306 50 40 EKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCCC 409071501 PBGOLYWVVQNCTD-XSFVSMFZSA-N 333.431 5.277 50 40 EKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)cc1 409360211 DIUAYIQHNLORCS-RGEXLXHISA-N 343.382 5.187 50 40 EKGB CCCC(CCC)=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 5417345 DDVLUDFTMXJBDG-NRFANRHFSA-N 348.490 5.065 50 40 EKGB Cc1c(C)c(COOC(C)(C)C)c(C)c(C)c1COOC(C)(C)C 2169887 NBWCCYCETXOBMH-UHFFFAOYSA-N 338.488 5.414 50 40 EKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 4794839 UQOIKWBKNUFTNZ-ATVHPVEESA-N 331.444 5.404 50 40 EKGB CC1(C)Cc2cc(/C=C(\C#N)c3ccc(Cl)cc3Cl)ccc2O1 10298607 AUKKYASTLPKAPX-RIYZIHGNSA-N 344.241 5.771 50 40 EKGB CCCCCC(=O)N/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O 4715495 AFUDGQAIFPATCS-HYARGMPZSA-N 346.515 5.018 50 40 EKGB CCCCOc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1 5298401 BZKQNHFQCNVWRD-GHRIWEEISA-N 331.419 5.114 50 40 EKGB O=C(NN=C1CCCCC1)c1sc2cc(Cl)ccc2c1Cl 6222136 SIEFOSLBTTXAJC-UHFFFAOYSA-N 341.263 5.258 50 40 EKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(Cl)c(Cl)c3)nc2c1 107858083 LJDYBTBGJGBCGO-GHXNOFRVSA-N 328.202 5.242 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(C(=O)O)cc1 408541020 AWJAKTMJZRGDGQ-WJDWOHSUSA-N 349.773 5.362 50 40 EKGB CC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(O)c3ccccc3C2=N1 102488252 BFXDITHFXWQOCN-FQEVSTJZSA-N 340.426 5.477 50 40 EKGB CC(/C=C(/C#N)C(=O)Nc1ccc(C)c(Cl)c1)=C\c1ccccc1 408985423 WUIGDFWRYXXREW-RLGXRJJKSA-N 336.822 5.140 50 40 EKGB CC(C)CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 5068445 KERADBAPDPFHNC-GHRIWEEISA-N 331.419 5.052 50 40 EKGB Cc1cc2nc(/C(C#N)=C/c3c(Cl)cccc3Cl)[nH]c2cc1C 107951412 VRUNQCXHFVJCMS-XYOKQWHBSA-N 342.229 5.551 50 40 EKGB ClC(Cl)(Cl)CC12C[C@@H]3C[C@@H](CC1(CBr)C3)C2 124744 VTHOHHSBSWGTEG-IXBNRNDTSA-N 346.523 5.338 50 40 EKGB N#C/C(=C/c1c2ccccc2cc2ccccc12)c1nc2ccccc2[nH]1 6565873 PRPKHXCAWFVMJZ-JXAWBTAJSA-N 345.405 5.933 50 40 EKGB N#C/C(=C/c1cc(-c2ccccc2)cs1)c1nc2ccccc2s1 84560160 RMZHQDFRBOOORF-GDNBJRDFSA-N 344.464 6.089 50 40 EKGB COc1ccc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cc1 12888650 DDRCDMWQWJNYSU-XYOKQWHBSA-N 326.808 5.022 50 40 EKGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)C2 59489068 OHPALLVOTSCIFB-WOAKVDTOSA-N 346.474 5.286 50 40 EKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 408816675 MAAXRHGUHWGJIM-RCCKNPSSSA-N 334.422 5.754 50 40 EKGB C=CCc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(OCC)c1O 408860056 XOZNRYVGFBAZNS-BOPFTXTBSA-N 339.822 5.237 50 40 EKGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1ccc(Cl)cc1Cl 408848087 PLIQAJAAEBUWRT-RAXLEYEMSA-N 347.245 5.641 50 40 EKGB CC1=CC(C)(C)N(C(=O)[C@@H](Cl)c2ccccc2)c2ccc(C)cc21 541821 VWQPXGOKYAFHMH-IBGZPJMESA-N 339.866 5.504 50 40 EKGB Cc1ccc(/C(C#N)=C/c2cccc(OCc3cccc(F)c3)c2)cc1 408579860 KSBVSEZJSOMSAF-CIAFOILYSA-N 343.401 5.777 50 40 EKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)c1cccc(F)c1 409391188 HWGQCILMFSRXER-ODLFYWEKSA-N 347.364 5.608 50 40 EKGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1 134277 NVUVROBQIOFEQO-WYMLVPIESA-N 348.789 5.146 50 40 EKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C)n2)cc1 6790858 JOYLSIYPDVAJLT-LDADJPATSA-N 346.455 5.581 50 40 EKGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1 2634603 BNLXSCRYSZUVDH-GHRIWEEISA-N 338.838 5.228 50 40 EKGB Cc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 408586587 OBNUARCWWVDFIN-MLPAPPSSSA-N 333.174 5.274 50 40 EKGB COc1ccc(-c2csc(/C(C#N)=C/c3sccc3C)n2)cc1 4601915 BDSWJGVLSWKWIG-NTEUORMPSA-N 338.457 5.253 50 40 EKGB Cc1c2ccccc2c(/C=N\NC(=O)c2ccccc2)c2ccccc12 408997899 PBCHBBDADJSQKM-IWIPYMOSSA-N 338.410 5.065 50 40 EKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1 108013635 TWEVXAFMVUNUAG-CPEHUTGBSA-N 327.427 6.081 50 40 EKGB CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=N/NC(=O)Nc1ccccc1 104097267 UVFFBWUHUQKZPG-BAVWDECTSA-N 325.456 5.123 50 40 EKGB C[C@@H](SCc1ccccc1)C(=O)NN=C1CCC(C(C)(C)C)CC1 408838141 RUAUACGJIOSVHO-LDCVWXEPSA-N 346.540 5.017 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1cccc(C#N)c1 2891052 IGSHATIKXHSODS-XKZIYDEJSA-N 336.394 5.201 50 40 EKGB CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 4175059 SOTJGGHTVAIJKQ-NDENLUEZSA-N 344.483 6.054 50 40 EKGB COc1ccc2ccccc2c1/C=C(\C#N)c1ccc2ccccc2c1 408548666 KVQIMLHDVZOMMN-RCCKNPSSSA-N 335.406 6.066 50 40 EKGB O=C(CSc1ccccc1)NN=C1CCCCCCCCCCC1 408770994 DANSYWRLNHLELZ-UHFFFAOYSA-N 346.540 5.556 50 40 EKGB N#C/C(=C/c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2[nH]1 6383060 PKASUYDXPWFXBO-VKAVYKQESA-N 337.382 5.419 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(O)cc1 6545759 XALKYYUBTKHOPH-ATVHPVEESA-N 332.378 5.003 50 40 EKGB N#C/C(=C/C=C\c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 6259028 HGVMEHPHIGWBPN-GOVIJKLZSA-N 343.213 5.095 50 40 EKGB ClCc1ccc2nc(-c3ccc(Br)cc3)sc2c1 73635195 AELBSDPVWJZINV-UHFFFAOYSA-N 338.657 5.465 50 40 EKGB Cc1ccc(COc2ccccc2/C=C(\C#N)c2ccc(C)cc2)cc1 209491077 VYKARFYAWQIXGR-HZHRSRAPSA-N 339.438 5.947 50 40 EKGB CC(C)C(=O)S[C]1SSC2=C1c1ccccc1NC2(C)C 334157773 UETFUNPPSWPETG-UHFFFAOYSA-N 336.527 5.402 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc12 408549150 PXTQJXCQOHMSQM-JWGURIENSA-N 349.433 6.456 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3)n2)cc1 13774501 VPXGZQHRWQJOMA-LGMDPLHJSA-N 331.444 5.349 50 40 EKGB C/C=C\C[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1 104186449 HQFLPSCHZBVHLK-IHWYPQMZSA-N 332.427 5.164 50 40 EKGB C[C@H](Br)CCc1ccc(CC[C@@H](C)Br)cc1 68563237 QFWLVUKMXQHLHF-TXEJJXNPSA-N 348.122 5.119 50 40 EKGB BrCc1ccc(N(c2ccccc2)c2ccccc2)cc1 91301435 FLQHEBWVRVQJIK-UHFFFAOYSA-N 338.248 6.051 50 40 EKGB CCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104136566 JQSRABOVSXEBBD-UHFFFAOYSA-N 348.470 5.293 50 40 EKGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)c1C 107588329 VEWXVDGYMSIDDO-MOSHPQCFSA-N 344.433 5.914 50 40 EKGB Cc1[nH]c2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2s1 35384243 ZBCIPNYCBGWZRR-JLHYYAGUSA-N 347.468 5.743 50 40 EKGB O=C(Cl)/C=C/c1ccc(-c2ccc(Cl)cc2Br)o1 20160491 AVDIAJDVOYRFDR-ZZXKWVIFSA-N 346.007 5.141 50 40 EKGB N#CC(C#N)=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 59399054 ALIUQKAQAPOCBU-UHFFFAOYSA-N 344.801 5.503 50 40 EKGB Cc1c(/C=C(\C#N)c2nc3ccccc3s2)c2ccccc2n1C 5525844 QTTGZRQYEVNRFR-SDNWHVSQSA-N 329.428 5.161 50 40 EKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OC(C)C 6307290 COKQELXCFTYRII-CPNJWEJPSA-N 343.426 5.700 50 40 EKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 76540033 IWBBDZRFOBNQQW-XSFVSMFZSA-N 329.374 5.469 50 40 EKGB CC(C)[Si](OCCc1cccc(C(=O)O)c1F)(C(C)C)C(C)C 219798867 SGINCRFSLXWXTM-UHFFFAOYSA-N 340.511 5.259 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1OCC 6964141 SMTLLZVIOYRVEI-RGEXLXHISA-N 343.426 5.701 50 40 EKGB N#C/C(=C\c1ccc(F)cc1)c1ncc(-c2ccc(Cl)cc2)s1 98212462 WXJCMBWGZWJNHA-NTEUORMPSA-N 340.810 5.667 50 40 EKGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1cccc(Cl)c1 408598839 KHFZQSONRICCNY-KAMYIIQDSA-N 349.773 5.362 50 40 EKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2)cc1 409393568 QRTXSKDOUVNSFI-BKUYFWCQSA-N 343.401 5.777 50 40 EKGB CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc12 6961876 PCSUAWOYOCVABM-LGMDPLHJSA-N 344.370 5.211 50 40 EKGB O=C(N[C@H]1CCC=C(c2ccccc2)C[C@@H](Cl)C1)c1ccccc1 16918871 OLZQLUTXISDFGC-UXHICEINSA-N 339.866 5.050 50 40 EKGB CC[C@@H](C)n1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21 33731246 NRPLCHUGEGDPGH-QJISPJEISA-N 345.402 5.585 50 40 EKGB O=C(Cl)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 218719059 WVQVQRHOLXIXKE-UHFFFAOYSA-N 326.566 5.181 50 40 EKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1Cl 6168214 WQMXHQDHRQACRD-NWFCWYBLSA-N 329.802 5.721 50 40 EKGB Cl[C@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 31923538 CZYWRRVFNCAJKT-JOCHJYFZSA-N 335.878 5.669 50 40 EKGB N#C/C(=C/c1cc(-c2cccs2)cs1)C(=O)Nc1ccccc1 58332959 OTPLXBDXKOPNDD-LCYFTJDESA-N 336.441 5.022 50 40 EKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 409366550 VZXWZHVCNOQGDE-ZHZULCJRSA-N 345.829 5.983 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)c1cccc(F)c1 409391655 JDANSGBGUMTQES-ODLFYWEKSA-N 347.364 5.608 50 40 EKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1cccc2ccccc12 6496035 DMVPZNJTFLXYAU-PGMHBOJBSA-N 347.417 6.696 50 40 EKGB Cc1ccccc1[C@H]1C(C=O)=C(c2ccccc2)Oc2ccccc21 3122252 GQHGABLBAMYILP-JOCHJYFZSA-N 326.395 5.130 50 40 EKGB Cc1cc(N(CCCl)CCCl)ccc1/N=N\c1ccccc1 104184682 WRDRPCGBZOZRJP-MRCUWXFGSA-N 336.266 5.694 50 40 EKGB CC1(C)c2ccccc2-c2nc3ccccc3cc2[C@H]1Br 4706262 MHLCBTKVMYPRHE-GOSISDBHSA-N 338.248 5.629 50 40 EKGB Cc1c(NC(=O)CCl)cccc1-c1nc2cc(C(C)C)ccc2o1 216858582 YYOGNIXBGTUSIC-UHFFFAOYSA-N 342.826 5.104 50 40 EKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1 2849133 PGQDMNKXXYRPSF-NBVRZTHBSA-N 343.813 5.569 50 40 EKGB C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1 4934218 INWWJQVOCCEROI-MWBJOKRYSA-N 342.398 5.102 50 40 EKGB Cc1ccc(-n2cccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1C 33659997 PWQKYRBAFNVRNC-AQTBWJFISA-N 343.386 5.067 50 40 EKGB O=C(CCCCBr)c1ccc(Oc2ccccc2)cc1 575358858 HYZLWYLOBWZFND-UHFFFAOYSA-N 333.225 5.227 50 40 EKGB [N-]=[N+]=N[C@@H](c1ccccc1)[C@@H](I)c1ccccc1 4946495 CXDXFIIGFFUSBP-KBPBESRZSA-N 349.175 5.214 50 40 EKGB Cc1c(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc2n1C 408598537 CQLIJLAUELYCRI-SDNWHVSQSA-N 344.443 5.020 50 40 EKGB N#CC(C#N)=C(Nc1cccc(F)c1)SCc1ccccc1Cl 6528703 CWBPCHDEKUCKBR-UHFFFAOYSA-N 343.814 5.083 50 40 EKGB CCC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(C)cc1 14921848 XEPWZAOYRLNKTP-ZNTNEXAZSA-N 344.458 5.011 50 40 EKGB CC(C)CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1 44932787 DMEGXXVGZBMEJC-KAMYIIQDSA-N 343.810 5.096 50 40 EKGB Cc1ccccc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C 408599446 UZWXEZRYIFSQDE-NDENLUEZSA-N 346.861 6.120 50 40 EKGB CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 3231431 YNANPCOWIHTRFF-LFIBNONCSA-N 327.811 5.202 50 40 EKGB CC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc(F)c3)o2)cc1 409390066 DMWWXBKGFOLXFI-PDGQHHTCSA-N 331.346 5.352 50 40 EKGB N#C/C(=C\c1ccncc1)c1nc(-c2ccc3ccccc3c2)cs1 6045895 IOHVWVMHNMMVQM-YBFXNURJSA-N 339.423 5.422 50 40 EKGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1F 6322927 ZBBRDIXUUVBTNM-AQTBWJFISA-N 347.364 5.608 50 40 EKGB C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccccc2)cc1Cl 409044992 WZJPNCJUPWLNKX-OQLLNIDSSA-N 330.214 5.622 50 40 EKGB CCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)c(OCCC)c1 33552373 BJJPJWGIRZNVNC-RGEXLXHISA-N 349.430 5.054 50 40 EKGB ClCCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12 13756189 TVZFOTDIIIUTGW-UHFFFAOYSA-N 344.245 5.238 50 40 EKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccccc1F 33626937 DATIYHZQABXAPM-PDGQHHTCSA-N 347.364 5.608 50 40 EKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1cccnc1 408552343 RTMMVXOMJNMBJU-UCQKPKSFSA-N 349.437 5.707 50 40 EKGB CCCCCCCCCCCCCCCC(=O)C(O)(O)[C@H](C)Cl 1569996468 IWIDPAQXQVIGCX-KRWDZBQOSA-N 348.955 5.345 50 40 EKGB C#CCOc1ccc2ccccc2c1/C=C(/C#N)c1ccccc1F 6157392 WBFXYDDJKWWOJA-VKAVYKQESA-N 327.358 5.055 50 40 EKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 33345833 SHLYVUHNJBLIJL-GDNBJRDFSA-N 340.209 6.318 50 40 EKGB BrCc1nc(-c2ccccc2)c(-c2ccccc2)s1 72284105 PWQKYHDEMWIVGZ-UHFFFAOYSA-N 330.250 5.372 50 40 EKGB CC1(C)c2ccccc2-c2nc3ccccc3cc2[C@@H]1Br 13208963 MHLCBTKVMYPRHE-SFHVURJKSA-N 338.248 5.629 50 40 EKGB CCc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C)n2)cc1 6356357 LXPRCLKZIWPMTB-UNOMPAQXSA-N 330.456 5.745 50 40 EKGB O=C(c1ccc(SC(F)(F)F)cc1)[C@@H](Cl)c1ccccc1 575361146 RWMMZTCPBSIVSC-ZDUSSCGKSA-N 330.758 5.461 50 40 EKGB N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)c1cccc(F)c1 409389210 APKMBCVGSBXILT-RGEXLXHISA-N 342.417 5.643 50 40 EKGB N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1cccc(F)c1 409390472 FRFVUECGDBVTMW-ODLFYWEKSA-N 347.364 5.608 50 40 EKGB CCN1c2ccc(/C=C(\C#N)c3ccccc3)cc2[C@H](C)CC1(C)C 208310913 MWRUNEZDKBDNQB-UOBPLZBXSA-N 330.475 5.863 50 40 EKGB CCOc1cc2c(cc1/C=C(/C#N)c1ccc3ccccc3c1)OCO2 33659473 BITOMNKFBRKMHQ-GRSHGNNSSA-N 343.382 5.031 50 40 EKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(Cl)cccc1Cl 102939904 WQGSYUFDEMHNCJ-LCYFTJDESA-N 345.229 5.156 50 40 EKGB CCN1c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C 223531383 TXAWRSSHWMYFFS-JJBLJPBOSA-N 348.465 6.002 50 40 EKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OC 408548853 MDYYTVRQTOIISJ-NDENLUEZSA-N 329.399 5.311 50 40 EKGB O=C(c1c2ccccc2cc2ccccc12)[C@@H](Cl)c1ccccc1 575357041 SHQPIMPHFLCPRI-NRFANRHFSA-N 330.814 6.156 50 40 EKGB