smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#C/C(=C/c1ccccc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 3222583 YZCRQVQRIDLTNS-GDNBJRDFSA-N 349.390 4.495 50 40 EIGB C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C\[C@@H]1CC=CCC1 13321818 WKIYAWUBZQMQEX-SAUWQKFDSA-N 345.493 4.235 50 40 EIGB CC1(C)CC(NC(=O)CCCC[C@@H]2CCSS2)CC(C)(C)N1 73558769 IBMXIZJZHGEOEH-CQSZACIVSA-N 344.590 4.126 50 40 EIGB biogenic COc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCC4)cc3)[nH]c2c1 409393084 UYQRGNUXKBFDBB-VBKFSLOCSA-N 344.418 4.236 50 40 EIGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1C 9202407 ULNDUSVILUYXNR-HZHRSRAPSA-N 344.414 4.477 50 40 EIGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 98044217 ZFQKLZHCUGJSJS-SLVCOGOPSA-N 329.396 4.082 50 40 EIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1 408807256 GPVHEMZGCKPHSL-HUCUOGIVSA-N 334.419 4.087 50 40 EIGB CCOC(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 409171643 BTLSGXPTTWSQCC-HYARGMPZSA-N 348.402 4.499 50 40 EIGB O=C(NNc1ccc(F)cc1)C1(c2ccc(Cl)cc2)CCCC1 12977713 RODLZWQRDAQGDR-UHFFFAOYSA-N 332.806 4.434 50 40 EIGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccccc2F)cc1 28632363 KHSLRAOAJKVFBL-KBKYQLFHSA-N 338.426 4.377 50 40 EIGB C#CCn1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21 33710836 KSXPSFLRAZQACV-WJDWOHSUSA-N 327.343 4.247 50 40 EIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccccc2Cl)C1 96901753 BHZKSIOCAKZNTM-HUSAPJIJSA-N 332.831 4.123 50 40 EIGB CC1CCN(c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)CC1 252488030 IHNYCANTVSMVPD-DTQAZKPQSA-N 335.407 4.062 50 40 EIGB O=C(N/N=C/c1ccc[nH]1)c1cc(-c2cccs2)nc2ccccc12 3239809 XZETUTBJMAFCGA-CIAFOILYSA-N 346.415 4.055 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc(-c3ccco3)cs2)cc1OC 4291971 FBQFIILRUKYTFN-MDWZMJQESA-N 338.388 4.484 50 40 EIGB O=C(NCCBr)c1ccc(/N=N/c2ccccc2)cc1 18006639 ZBCKKGZHAGVDDR-VHEBQXMUSA-N 332.201 4.227 50 40 EIGB O=P(c1ccccc1)(c1ccccc1)c1cccc(C(F)(F)F)c1 95611995 PANDYKBWJPRMIG-UHFFFAOYSA-N 346.288 4.345 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)c1 408743889 CEUOVIFTLOMXNU-ZROIWOOFSA-N 326.783 4.284 50 40 EIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 5792380 OAVYKKNNTGPVDR-MDWZMJQESA-N 341.754 4.102 50 40 EIGB Cc1cc(SC#N)ccc1NC(=O)CC1(CC(=O)O)CCCCC1 12809738 VLCYYJLLAMTQTE-UHFFFAOYSA-N 346.452 4.322 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 408962114 GSQINMRJUACLGS-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB CC(=O)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409020916 VRIVZJFDTLIYIR-YDZHTSKRSA-N 341.414 4.313 50 40 EIGB C#CCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OCC 5027706 XSZFQOQATNJDNN-VBKFSLOCSA-N 343.386 4.038 50 40 EIGB CCC[C@H](Br)C(=O)Nc1nc2ccc(C)cc2s1 20132550 FLBBQEILFSZVSI-VIFPVBQESA-N 327.247 4.107 50 40 EIGB Cc1c(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])oc2ccccc12 46193810 PLDKKENJCPZTHS-HOGMWEGNSA-N 349.346 4.078 50 40 EIGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 409005994 GUXLDPUNQLNFSG-NTUHNPAUSA-N 348.233 4.054 50 40 EIGB CC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 4510857 HCGOPNSWAVHTSZ-DJKKODMXSA-N 337.206 4.042 50 40 EIGB CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)/C1=C\Nc1cccc(C)c1 5337750 MSBLKOPTMIHQDF-ZIBIDDQLSA-N 342.402 4.142 50 40 EIGB N#CC1=C(O)/C(=C\C=C\c2ccccc2)N(C(=O)c2ccccc2)C1=N 16941783 NXCRZZYJPGKHDU-ZJVURUTNSA-N 341.370 4.053 50 40 EIGB CCCC[C@H](CC)COC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 101683294 KMOLKUNBVGJJIE-ZCQLHAAUSA-N 345.439 4.370 50 40 EIGB CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NC1CCCC1 409189802 SWYRKZVBYDCTHD-SSZFMOIBSA-N 334.419 4.204 50 40 EIGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccccc2F)cc1 5380056 KHSLRAOAJKVFBL-SOCDCLKXSA-N 338.426 4.377 50 40 EIGB COc1cc(N/C=C(\C#N)c2nc(C)cs2)c(OC)cc1Cl 7698630 FZKJRTKWVATVLL-JXMROGBWSA-N 335.816 4.099 50 40 EIGB O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1 9086592 YMIJIYKIGMWOTO-UHFFFAOYSA-N 328.711 4.016 50 40 EIGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3ccc4ccccc4c3)ccc21 6223964 VAJOYJHQDOJLIW-ODLFYWEKSA-N 339.398 4.094 50 40 EIGB Cc1cccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)c1 33285451 HQDNDKXIJGSJOU-HAHDFKILSA-N 344.414 4.338 50 40 EIGB CCOc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3[nH]1)O[C@@H](C)C2 6209329 WNTAVBXOFVUYDD-WFSQQTBHSA-N 345.402 4.349 50 40 EIGB Cc1cccc(C(=O)O)c1SSc1c(C)cccc1C(=O)O 21989107 NRIKVCMXILLQNH-UHFFFAOYSA-N 334.418 4.499 50 40 EIGB COC1[C@@H](Cl)CC(/C(=C\C2CCCCC2)C(=O)O)C[C@H]1Cl 5707450 IWQCZEOMZYPGLI-KCNBMQHHSA-N 335.271 4.218 50 40 EIGB Cc1csc(/C(C#N)=C/c2cnn(Cc3ccccc3Cl)c2)n1 14169408 QBWXFOBKKVOPGK-GIDUJCDVSA-N 340.839 4.414 50 40 EIGB CC(C)(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 20243933 SFAGNMCHDTVMNO-FYJGNVAPSA-N 340.492 4.368 50 40 EIGB Cc1cc(C(=O)CCl)c(C)n1-c1ccccc1Br 20284439 LPKZAACCDBIYMY-UHFFFAOYSA-N 326.621 4.278 50 40 EIGB CCOC(=O)c1c[nH]c2cc(S(F)(F)(F)(F)F)ccc2c1=O 110749814 VJXOWPJYYBMXIM-UHFFFAOYSA-N 343.273 4.362 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1 1449395 FUJCSQCRGSTIOJ-OEAKJJBVSA-N 346.430 4.492 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)cc1 1453863 YTHDYPUERJOFPP-FOWTUZBSSA-N 336.391 4.028 50 40 EIGB Cn1c(/C(C#N)=C/c2ccc(OC(F)F)cc2)nc2ccccc21 6210052 FQUMUJNBXOVGDV-JLHYYAGUSA-N 325.318 4.239 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)n1C 67299924 VFSOBJMLLNTVDI-JLHYYAGUSA-N 348.324 4.181 50 40 EIGB CCOc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccccc1 408853973 UQYVPZBYDQEOGZ-QNGOZBTKSA-N 348.406 4.032 50 40 EIGB CCSC1=C(C#N)[C@@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)N1 387003 RLXFMEPBWYKMPE-QZTJIDSGSA-N 334.444 4.172 50 40 EIGB C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(N2CCCCC2)cc1 5589411 FVIFGASKSKOOOG-OQKWZONESA-N 335.451 4.139 50 40 EIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\C=C/c1ccco1 13943592 APKWBCMFAKAHNT-ROEHSOQSSA-N 346.386 4.141 50 40 EIGB Cc1ccccc1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1 67986 VCBXDGXIOACZFD-HYARGMPZSA-N 331.419 4.166 50 40 EIGB C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)ccc2O1 10298861 MBDICUZXKRTTTD-GQVHDAKQSA-N 338.794 4.209 50 40 EIGB CC(=O)NCc1ccc(-c2csc(C(C#N)=C3CCCCC3)n2)o1 14163561 GUNLPGWDUNWEKW-UHFFFAOYSA-N 341.436 4.280 50 40 EIGB CCOc1cc(C)c(/C=N/NC(=O)c2ccc(F)cc2)cc1C(C)C 408847449 VSJNVHZQNCKFPI-WSDLNYQXSA-N 342.414 4.420 50 40 EIGB N#C/C(=C/c1cccs1)c1ccc(I)cc1 409372022 KWVBDXIURATVBP-FLIBITNWSA-N 337.185 4.417 50 40 EIGB CC(C)CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 565603 WKILLQZXQLEHRB-CIAFOILYSA-N 344.842 4.415 50 40 EIGB Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCBr 1079771 OUDUFILWFZLYAG-UHFFFAOYSA-N 340.224 4.441 50 40 EIGB CCN(C(=O)CCCl)c1nc(-c2ccc(Cl)cc2)cs1 4214911 QAXVWOUPMVFDDV-UHFFFAOYSA-N 329.252 4.445 50 40 EIGB CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] 6648442 XPQJEZSGITZMLT-MHWRWJLKSA-N 335.363 4.011 50 40 EIGB C/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccco1 13119895 XUYYGTIWLSKZCH-QSSXUJFUSA-N 344.414 4.126 50 40 EIGB Cc1ccc(CSCC(=O)N/N=C/c2cccc(Cl)c2)cc1 59473470 IFJIGPXIVVCSEU-VXLYETTFSA-N 332.856 4.032 50 40 EIGB CC1(C)Cc2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)ccc2O1 408710868 RFPSIACTEMFPKF-XNTDXEJSSA-N 336.366 4.085 50 40 EIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1sccc1C 408802434 DYZSIDKYPYTDBC-YRNVUSSQSA-N 332.812 4.264 50 40 EIGB Cc1cccc(NC(=O)N/N=C\c2cccn2-c2ccccc2)c1C 408852521 GYDNIPOGHGYFHF-STZFKDTASA-N 332.407 4.250 50 40 EIGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(F)cc3)o2)cc1 409013687 CTEDUSWFDIZFJZ-UUYOSTAYSA-N 348.337 4.113 50 40 EIGB CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c2ccccc21 6570516 FXNLJVGBBWYTBR-OEAKJJBVSA-N 347.462 4.279 50 40 EIGB Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OC(C)C 9201697 KIJOFPCCDUBHLD-RGVLZGJSSA-N 330.815 4.200 50 40 EIGB Cc1ccc2c(c1)[nH]c(=S)n2/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 16958431 ZULRCWHRUIVACX-JLHYYAGUSA-N 336.376 4.437 50 40 EIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccc(Cl)c1 100373447 SKOYCADMQMEWNW-AUWJEWJLSA-N 332.794 4.349 50 40 EIGB N#CC1=C(SCc2cccc(F)c2)NC(=O)C[C@@H]1c1cccs1 409134811 QKIIKWRUFRUJOQ-ZDUSSCGKSA-N 344.436 4.159 50 40 EIGB N#C/C(=C/c1cccc(I)c1)c1ccccc1 409362184 HZZQRLVJHYBOTI-ZROIWOOFSA-N 331.156 4.355 50 40 EIGB ClCc1cc2c(I)cccc2nc1Cl 685937197 MNTJYTVEJMBFMT-UHFFFAOYSA-N 337.975 4.232 50 40 EIGB CN(CCCl)CCCCCCCCCCN(C)CCCl 4706423 YXNVVNWITFTEJC-UHFFFAOYSA-N 325.368 4.448 50 40 EIGB N#CC(C(=O)COc1cccc2ccccc12)=C1Nc2ccccc2N1 5596036 KIFUTLXWNWAZPX-UHFFFAOYSA-N 341.370 4.060 50 40 EIGB N#C/C(=C/c1ccccc1)C(=O)N(c1ccccn1)C1CCCCC1 6756883 WKWQEKKFIWDBQQ-SDXDJHTJSA-N 331.419 4.354 50 40 EIGB CC(C)c1nnc(NC(=O)CCCC[C@@H]2CCSS2)s1 26601750 BFVFDRKEMIYSOV-SNVBAGLBSA-N 331.532 4.314 50 40 EIGB biogenic CCOC(=O)Cc1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-] 101651217 IRDFTCACCYBTCA-UHFFFAOYSA-N 335.250 4.358 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1 409126366 BQTCTJPDGPSADN-MURKYSCBSA-N 326.465 4.324 50 40 EIGB N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc(C#N)cc1 409368011 LLFSSGAPFZZRIG-AUWJEWJLSA-N 325.165 4.091 50 40 EIGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc(SC(F)F)cc1 3333376 PHMZMFYKRNWFIC-XYOKQWHBSA-N 346.358 4.253 50 40 EIGB CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)c2ccccc12 6513241 FCYGJELXPVJXMB-PDGQHHTCSA-N 343.430 4.121 50 40 EIGB Cc1cc2nc(/C(C#N)=C\c3ccc(OCC#N)cc3)[nH]c2cc1C 408541896 FKJLNYNOWDDHMD-WJDWOHSUSA-N 328.375 4.146 50 40 EIGB N#C/C(=C/c1ccccc1I)c1ccccc1 409365616 QZXFHTHMDLLISJ-UVTDQMKNSA-N 331.156 4.355 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)c1C 313858 XNHNKTCPGXJFCA-KKJJZKEWSA-N 340.492 4.384 50 40 EIGB C/C(=N/NC(=O)Cc1cccs1)c1ccc(Cl)c(Cl)c1 5031647 KDJFIISMSKXWIY-MFOYZWKCSA-N 327.236 4.138 50 40 EIGB O=C(Cl)c1ccc2oc(-c3cncc(Br)c3)nc2c1 217713524 GXGUHFXBJFUXFU-UHFFFAOYSA-N 337.560 4.031 50 40 EIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)Cn1cnc2ccccc21 408691681 LLFMSBLEDWKWTK-QPEQYQDCSA-N 338.754 4.205 50 40 EIGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1cccc2ccccc12 408854192 ZKEAMFMRWQWAOE-KQWNVCNZSA-N 343.430 4.204 50 40 EIGB COc1cccc(CC(=O)NN(c2ccccc2)c2ccccc2)c1 14862533 FHLKTBQAURKNTO-UHFFFAOYSA-N 332.403 4.107 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OC(C)C)c1 171814301 DJSUZVAXAVRPTA-LFIBNONCSA-N 336.391 4.028 50 40 EIGB O=C/C(=C\Nc1ccc(Br)cc1)c1nc2ccccc2o1 357955 UZCLPPTVAMYGAN-PKNBQFBNSA-N 343.180 4.242 50 40 EIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 506874 QGVSTJSBUHERCX-RIYZIHGNSA-N 331.202 4.217 50 40 EIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1c[nH]c2ccccc12 3308660 OHVPMRYFPJKEHM-YDZHTSKRSA-N 343.386 4.094 50 40 EIGB CCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC 5475807 SOMMIYMXFHAISK-HYARGMPZSA-N 348.402 4.011 50 40 EIGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1O 6735591 QZVOAVNDAUZYOL-WDZFZDKYSA-N 348.171 4.367 50 40 EIGB N#C/C(=C/c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 33347184 OLJOUKMSZVRXDO-JYRVWZFOSA-N 329.153 4.421 50 40 EIGB Cc1cc(C)c(/C=N/NC(=O)c2cccc(Br)c2)c(C)c1 250960 NBDOUSGJWUIJHU-VXLYETTFSA-N 345.240 4.138 50 40 EIGB Cc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1 448714 HXYIJMUVCUBYIZ-NTEUORMPSA-N 341.208 4.303 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C)cc2)c2ccccc21 512016 FWXFEYKCVIVPKJ-HZHRSRAPSA-N 345.446 4.137 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1 2669910 PAJOVRPQALBTBY-DTQAZKPQSA-N 336.391 4.030 50 40 EIGB O=C(CBr)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 4291004 KGWGGRKNIAJSBA-UHFFFAOYSA-N 344.548 4.086 50 40 EIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1 4354935 MTCIIUCKROEZBG-PUECVXPYSA-N 348.837 4.180 50 40 EIGB Cc1nc2ccccc2cc1C(=O)N/N=C/c1c(F)cccc1Cl 4525849 XICPIIIRJNRQRH-UFFVCSGVSA-N 341.773 4.100 50 40 EIGB CC/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(C)s1 5851234 AZQYLHRVAWCUIW-LVZFUZTISA-N 337.448 4.391 50 40 EIGB C/C(Cc1ccccc1)=N\NC(=O)CSCc1ccc(Cl)cc1 20248770 VOKRQBSQBVZCGN-XSFVSMFZSA-N 346.883 4.308 50 40 EIGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(F)s2)cc1 252487682 HZNOFEIMHGGFLB-BBQGRHSISA-N 344.455 4.439 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 8812184 RCSOZXLSUORNAP-LPYMAVHISA-N 335.382 4.039 50 40 EIGB C=CCn1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 20194548 KQAVGSYAAGKFMN-OEAKJJBVSA-N 345.446 4.137 50 40 EIGB CC(C)(/C=N/NC(=O)CCSc1ccc(Cl)cc1)CCC#N 408719253 ASOSSWZMJVNWAR-XDHOZWIPSA-N 337.876 4.254 50 40 EIGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 563876 UUNPXUHVODZWRL-SAPNQHFASA-N 349.409 4.362 50 40 EIGB CC(=O)Nc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1 27336674 MUPXTSDFBFZEJI-OAHLLOKOSA-N 338.498 4.298 50 40 EIGB biogenic CCOc1cccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1 408591904 WEOSMPWCBGNHHN-PXLXIMEGSA-N 338.451 4.076 50 40 EIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 7156777 KNWFFVFQRWFIMV-QGOAFFKASA-N 332.403 4.414 50 40 EIGB N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117416 AMINHIDYRFBFCH-XFFZJAGNSA-N 333.174 4.245 50 40 EIGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(N)=O)cc1 408885289 YPYLRUFLJSDIKG-LDADJPATSA-N 342.398 4.120 50 40 EIGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccnc1 409008646 ZGADYDUDWRVODM-HAHDFKILSA-N 347.418 4.178 50 40 EIGB Cc1ccc(NC(=O)c2ccccc2C[C@H](Br)C#N)cc1 567963 JZYPJFPCOSLALW-AWEZNQCLSA-N 343.224 4.077 50 40 EIGB Cc1cc(N/C=C(\C=O)c2nc3ccccc3o2)c([N+](=O)[O-])cc1C 5336734 GBHRZZFHXNBWKC-UKTHLTGXSA-N 337.335 4.005 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1C 6188694 NUMHNQNCTOMBPP-QPEQYQDCSA-N 348.233 4.494 50 40 EIGB C=CCSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 9088698 VJUWLRSYWKJKEY-JTQLQIEISA-N 339.247 4.251 50 40 EIGB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CCl 216858341 NLGXSDOECMSJGV-UHFFFAOYSA-N 332.812 4.149 50 40 EIGB CC(C)(C)c1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1 437090 MVSISYBEDRSVMF-CIAFOILYSA-N 344.842 4.167 50 40 EIGB CCCCC/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 4017627 YVCBJNCNITZXQB-ZZEZOPTASA-N 339.395 4.309 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 566175 QVGQVEKVRAFTIA-GXDHUFHOSA-N 341.208 4.303 50 40 EIGB CC1(CBr)COC(c2ccccc2)(c2ccccc2)OC1 1717482 OSKZRCDKHLSZRF-UHFFFAOYSA-N 347.252 4.336 50 40 EIGB CC1=C/C(=N\NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 5414439 XZHOFFQYUFBWIN-NBVRZTHBSA-N 335.245 4.301 50 40 EIGB CCCCNC(=O)/C(C#N)=C/c1csc(-c2ccc(Cl)cc2)n1 7165799 HPWFQMZEJRMSMD-UKTHLTGXSA-N 345.855 4.287 50 40 EIGB N#CC(C#N)=C(N=C(c1ccccc1)c1ccccc1)C(F)(F)F 1462243 ZIWPJNQNLTVFPS-UHFFFAOYSA-N 325.293 4.388 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)s1 44028587 GOSNLCYEZPDOBG-DHZHZOJOSA-N 347.237 4.365 50 40 EIGB O=C(CBr)c1ccc(Br)cc1C(F)(F)F 98210806 VQXIDPCOPPUJCA-UHFFFAOYSA-N 345.940 4.046 50 40 EIGB C=CCn1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 408590502 PEKHRJJWMKAQDJ-CIAFOILYSA-N 337.810 4.245 50 40 EIGB N#C/C(=C\c1cc(Cl)ccc1O)C(=O)Nc1ccccc1Cl 408881026 JXQVCIHBRLSQMW-YRNVUSSQSA-N 333.174 4.245 50 40 EIGB N#CC1=C(SCc2cccc(F)c2)NC(=O)C[C@H]1c1cccs1 409134810 QKIIKWRUFRUJOQ-CYBMUJFWSA-N 344.436 4.159 50 40 EIGB Cn1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 14169404 WKXMOCAYYTVBSE-AWNIVKPZSA-N 326.812 4.261 50 40 EIGB Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)cc(Cl)n1 163176 NLKIQSMKJUFSNI-UHFFFAOYSA-N 330.602 4.107 50 40 EIGB COc1ccccc1NC(=O)NNc1ccc(Cl)cc1Cl 12788375 YSTHQFBEKLEAPQ-UHFFFAOYSA-N 326.183 4.151 50 40 EIGB N#C/C(=C\c1cc(F)ccc1F)c1nc(O)c2ccc(Cl)cc2n1 44026654 DYOJOHOAULAUQS-BJMVGYQFSA-N 343.720 4.331 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)cc1 210618161 CADWVYYZHWIHBN-KAMYIIQDSA-N 326.783 4.284 50 40 EIGB Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 408988363 DHFZSAFGCZRYCR-HMAPJEAMSA-N 331.419 4.166 50 40 EIGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 495161 BEOCCBSNQBFHHX-SDNWHVSQSA-N 328.799 4.375 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OC(F)F)c1ccccc1 3233798 DPIORUXJKGDKAY-KWWJGWKXSA-N 342.345 4.072 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 5928197 LPKCDLUPUNTLDU-WLYVWDQKSA-N 325.239 4.036 50 40 EIGB CCC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1 14922817 RBLDOPVDNWKMCG-KNTRCKAVSA-N 345.240 4.383 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)c(OC)c1 96179253 DITNHQHSXFYJGQ-OQLLNIDSSA-N 346.386 4.283 50 40 EIGB C/C=C1\C[N@+]2(CCCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 245377503 LQDGJFHWZHMWLV-LPACLHGBSA-O 349.498 4.172 50 40 EIGB O=S(=O)(C[C@@H](Cl)c1ccccc1)c1ccc(C(F)(F)F)cc1 153172 VESZCQLTCVWHCR-CQSZACIVSA-N 348.773 4.459 50 40 EIGB Cc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)[C@H]2Br 3102246 DRDVMPWQNIATID-HNNXBMFYSA-N 333.229 4.229 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 28911675 OKWQJTAHCKGONH-NTCAYCPXSA-N 338.794 4.450 50 40 EIGB N#CC1=C(N)Oc2nc(-c3ccccc3)sc2[C@@H]1c1ccccc1 39379131 MNUVEIDIADBJRT-OAHLLOKOSA-N 331.400 4.028 50 40 EIGB C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 72265602 OHSGRNICLMHCBO-VKHMYHEASA-N 338.004 4.033 50 40 EIGB CCc1ccc2oc(-c3ccc(OC)c(NC(=O)CCl)c3)nc2c1 216859522 REAVLWHKBNXAAJ-UHFFFAOYSA-N 344.798 4.243 50 40 EIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2Cl)o1 408590203 OAKISBGRJXAOEX-WSDLNYQXSA-N 349.777 4.236 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1cc(C)ccc1C 408719557 VJXIHAUMOCTPED-MURKYSCBSA-N 326.465 4.324 50 40 EIGB Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 408995114 JDBYFUIRWLQISQ-HAHDFKILSA-N 345.446 4.095 50 40 EIGB C#CCn1c(C)c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 409369846 ZYEQPLDVOOJNPM-LPYMAVHISA-N 349.821 4.000 50 40 EIGB O=C(NNc1ccc(C(F)(F)F)cn1)Nc1cccc2ccccc12 11006529 FMBILZXYTKWRRR-UHFFFAOYSA-N 346.312 4.402 50 40 EIGB O=C(COc1ccccc1)N/N=C/c1ccc(Oc2ccccc2)cc1 20243975 KMBUMOZJKUWYBO-PXLXIMEGSA-N 346.386 4.008 50 40 EIGB CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cccc3c2OCO3)c1C 84759130 IRTLSSGPJHGWBS-MHWRWJLKSA-N 336.391 4.034 50 40 EIGB Cc1cccc(C)c1NC(=O)[C@@H](Br)CCCCCl 100118253 ZLXFVIFDOSZPJI-LBPRGKRZSA-N 332.669 4.415 50 40 EIGB COc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Cl 408581244 VIQLKBFZOXLYRK-RIYZIHGNSA-N 329.783 4.430 50 40 EIGB O=S(=O)(C[C@@H](Cl)c1ccccc1)c1ccc(F)c(Cl)c1 153179 ZJBXMTBRZXTWJA-CYBMUJFWSA-N 333.211 4.233 50 40 EIGB CN(C)/C=C(\C#N)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 4105362 XQKRAZCTSMARJM-WYMLVPIESA-N 326.783 4.284 50 40 EIGB C/C(=N/NC(=O)c1ccc(N(C)C)cc1)C12CC3CC(CC(C3)C1)C2 5620707 KWKMLEKZLVGTLK-HMAPJEAMSA-N 339.483 4.075 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC(C)C)c2C)cc1C 20247453 UXBBJQOLYURYQI-CIAFOILYSA-N 325.456 4.207 50 40 EIGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c1 53104747 KUUUUQZOTCYSME-VBKFSLOCSA-N 336.391 4.030 50 40 EIGB CCCCOc1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1 100812932 KZNFKGAXLVUPMU-HEHNFIMWSA-N 347.418 4.345 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)o3)c2C)cc1 408586901 CXWDMCCXPMRULH-CIAFOILYSA-N 335.407 4.068 50 40 EIGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1 408786473 QOVYPIVIUQTXLR-JXAWBTAJSA-N 341.414 4.451 50 40 EIGB O=C(CCCCBr)c1cccc(OC(F)(F)F)c1 575359137 RUPQBWCXTJDFBZ-UHFFFAOYSA-N 325.124 4.333 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc3cc(C)ccc3nc2Cl)cc1 44062006 UQROSHWAMJRPSU-SRZZPIQSSA-N 337.810 4.269 50 40 EIGB O=C(NNc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 68773530 UTZWVNDVMHYRGS-UHFFFAOYSA-N 338.373 4.365 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 408780912 NBGWBZZFDKSQPV-NTEUORMPSA-N 326.783 4.203 50 40 EIGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccccc1Cl 5100055 SJMVTFBELJWXHG-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB CC/C(=N/NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1 33746193 YGEJICQZXPQFTM-QOCHGBHMSA-N 338.451 4.428 50 40 EIGB Cc1ccc2oc(-c3cccc(NC(=O)CSC#N)c3C)nc2c1 216860356 KLIXMEDJHMUPOT-UHFFFAOYSA-N 337.404 4.264 50 40 EIGB O=C(CBr)c1csc2ccc(Br)cc12 4277348 QFZPWQQHQRYUKB-UHFFFAOYSA-N 334.032 4.241 50 40 EIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cn1 4471751 IKOGHFWBOWBGFE-NHDPSOOVSA-N 339.782 4.067 50 40 EIGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1ccccc1Cl 5131055 PNPUXISHPVKPFS-FMIVXFBMSA-N 348.736 4.487 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1 408691646 JXCNIELZJOOMCQ-AQTBWJFISA-N 330.435 4.490 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1 409272933 UKESEZVZTWGYJM-OEAKJJBVSA-N 347.462 4.467 50 40 EIGB CCc1ccc(/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1 345624 MGBLCCIUBWGDNF-XQNSMLJCSA-N 330.431 4.485 50 40 EIGB FC(F)(F)Oc1cc(Br)ccc1CBr 113319105 FDAOMROLPVEVGJ-UHFFFAOYSA-N 333.929 4.243 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccs1 408839846 CSYTVQGABRWQKW-JDAJCMJVSA-N 338.885 4.423 50 40 EIGB Cc1c(C=C(C#N)C#N)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408923190 OZXFWPTZWSIGRV-UHFFFAOYSA-N 342.358 4.337 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1)c1ccccc1 409237491 IXUGRPPZCJMCTA-MNTXUITRSA-N 345.446 4.071 50 40 EIGB Cc1c2c3n(c4c(F)c(F)ccc4n3c1C=C(C#N)C#N)CCCC2 107000 YHNQBAZDKRATNP-UHFFFAOYSA-N 336.345 4.247 50 40 EIGB COc1ccc(C(=O)NNc2c3ccccc3nc3ccccc23)cc1 5485164 YDABBUTXLAECGB-UHFFFAOYSA-N 343.386 4.154 50 40 EIGB COc1c(C)cc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1C 20195486 CYLHKYORUROORF-OQKWZONESA-N 338.451 4.012 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 96930601 OHGMTHPKPCTYOM-SSZFMOIBSA-N 337.398 4.218 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1[N+](=O)[O-] 98008691 HNUIWFFFWAEULG-AWNIVKPZSA-N 349.321 4.314 50 40 EIGB O=C(CCCCBr)c1cc(Br)ccc1F 308837954 XGSLWAHHWFSWSJ-UHFFFAOYSA-N 338.014 4.336 50 40 EIGB N#C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 148324 MJBAJIYYZSZSQK-OQLLNIDSSA-N 338.215 4.332 50 40 EIGB O=C(CCCl)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4267134 GNTGYOYIDZMSIT-UHFFFAOYSA-N 342.782 4.253 50 40 EIGB O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccco1 8043678 JQKZGSJHECUFRA-FYJGNVAPSA-N 329.359 4.192 50 40 EIGB CSC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 8567363 RVTNHUQBLQKFBG-OAHLLOKOSA-N 330.840 4.132 50 40 EIGB CC(C)c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409246915 KYXQZJYGYSXIDD-QNGOZBTKSA-N 332.447 4.466 50 40 EIGB ClCCN(CCCl)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 50539054 HUJJMLDXMJIBEC-UHFFFAOYSA-N 341.069 4.149 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 76537807 KIQNUMSCIKPUAI-OQLLNIDSSA-N 333.391 4.261 50 40 EIGB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(N)=S 408544198 TVYPUTIISIJMLW-ZROIWOOFSA-N 335.407 4.022 50 40 EIGB O=C(CCl)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 4200301 JMFUCWQPDQMNHC-UHFFFAOYSA-N 335.850 4.362 50 40 EIGB Cn1cc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)c2ccccc21 33326857 OBFYMPWCFCYDLL-UKWGHVSLSA-N 346.217 4.249 50 40 EIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl 50058 BMYRVIVHULNEKH-DJKKODMXSA-N 341.625 4.340 50 40 EIGB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Cl)c1ccccc1 3276909 ITPJJMOGJWQKMD-ZDUSSCGKSA-N 325.151 4.167 50 40 EIGB N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21 5543389 APUYKNQCRGETJJ-SSZFMOIBSA-N 340.386 4.101 50 40 EIGB CSc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 58915916 DHZNWPAYTTWRPX-ONDHQXCVSA-N 344.505 4.181 50 40 EIGB Cc1ccc(S/C(Cl)=C(/C#N)NC(=O)c2ccccc2)cc1 102627318 CVUKTZNOAXMPAV-NXVVXOECSA-N 328.824 4.449 50 40 EIGB N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1ccccc1O 74288 BBFFPNFXWIOMIE-QINSGFPZSA-N 330.343 4.198 50 40 EIGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1Cl 4953584 TVEHMFKNPKNCIJ-UKTHLTGXSA-N 341.754 4.102 50 40 EIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)c1C 30843352 AYKNRXHVLNAVHK-XKZIYDEJSA-N 338.451 4.130 50 40 EIGB COc1ccc([C@@H]2C(C#N)=C(C)N=C3C2=C(O)c2ccccc23)cc1 101623181 LIXULFRCSDQOQQ-GOSISDBHSA-N 328.371 4.362 50 40 EIGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 409056351 DCTFLLYPRVCNLB-YDVLGVQHSA-N 349.217 4.166 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 1458091 AGWBTKWSJSMESL-YBFXNURJSA-N 345.240 4.336 50 40 EIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12 5880535 WYXGNXDTRIURNT-GHRIWEEISA-N 328.371 4.394 50 40 EIGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc3ccccc3c2)c1 6600658 WKYMCELGUQZGBN-HYARGMPZSA-N 348.402 4.011 50 40 EIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 6971200 ZSZRIGDNDCOAJF-QINSGFPZSA-N 331.331 4.155 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccccc1 12341855 XZHOGWACPQLBEW-XMHGGMMESA-N 347.462 4.450 50 40 EIGB CC(C)(C)OC(=O)N[C@@H](CCBr)c1ccc(F)cc1 35633040 RBZPTCMSIPNDPT-LBPRGKRZSA-N 332.213 4.177 50 40 EIGB Cc1cc(I)ccc1-c1ccc(C(=O)Cl)o1 218717146 GTZKNJXFXQBKTH-UHFFFAOYSA-N 346.551 4.239 50 40 EIGB CCN(CCI)Cc1cccc2ccccc12 1670026 HGUXZHVJYFLHBK-UHFFFAOYSA-N 339.220 4.097 50 40 EIGB COc1cccc(CN(C(=O)CCl)C23CC4CC(CC(C4)C2)C3)c1 3888128 CLZPYDATKHVKSP-UHFFFAOYSA-N 347.886 4.231 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1 4041150 SFZHNDKKCTXTLO-UKTHLTGXSA-N 341.754 4.102 50 40 EIGB CC1=C(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 20010460 MBEXEHLTXLQTAI-INIZCTEOSA-N 333.218 4.485 50 40 EIGB O=C(N/N=C\c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccco1 409201310 LKPHPMLCMSDELN-FBHDLOMBSA-N 348.280 4.322 50 40 EIGB CCC(C)(C)C1CCC(=NNC(=O)COc2ccc(C#N)cc2)CC1 5506017 PYKPLYODZCCOCX-UHFFFAOYSA-N 341.455 4.036 50 40 EIGB COc1cc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc(OC)c1 12983716 SVLPIFRNLXVJRK-HWKANZROSA-N 346.810 4.087 50 40 EIGB CC(C)Oc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 5381406 OHKLNBHUKUIQEV-XSFVSMFZSA-N 342.464 4.106 50 40 EIGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc(Cl)c(Cl)c1 5381507 UXRNIWPRYDCKMT-UDWIEESQSA-N 335.234 4.466 50 40 EIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 409191492 XIFBHTKSCKWIKP-HMHKGCENSA-N 330.815 4.281 50 40 EIGB CC(/C=C/c1ccccc1)=N/NC(=O)CNc1cccc2ccccc12 32929293 FAQBAYHFSOYUHR-FGYBALHCSA-N 343.430 4.457 50 40 EIGB CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1 33378050 SDQXBZQZWILYBV-AQTBWJFISA-N 333.435 4.422 50 40 EIGB CC1(C)[C@H]2CC[C@]1(C)C(=O)O[C@H]2[C@@H](Br)c1ccccc1 245240645 QYWCYKSLJQCHDH-SZOQZIPDSA-N 337.257 4.491 50 40 EIGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)NCc1ccccc1 409016952 UKQHYQGALDBHJP-ATVHPVEESA-N 346.361 4.309 50 40 EIGB N#CCn1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc21 6269944 QJBMOOOWPKUIEL-GDNBJRDFSA-N 328.331 4.137 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 6369912 METOPBZFMIJKIJ-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1 6947551 KMKGEWRFQCKYHR-LUAWRHEFSA-N 332.812 4.346 50 40 EIGB O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 30817661 KNLOQUJCSTUPBN-LSCVHKIXSA-N 327.598 4.411 50 40 EIGB COc1ccc(Cl)cc1/C(C)=N/NC(=O)Cc1ccc(C)cc1C 20195398 PXRNXZCBYSMSEQ-KGENOOAVSA-N 344.842 4.048 50 40 EIGB CC(=O)Nc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1 33773289 IYCKODOTUCVJAT-WQRHYEAKSA-N 347.418 4.116 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 408896178 PWVCUMCGJUBMRE-MDWZMJQESA-N 341.754 4.102 50 40 EIGB COc1cc(C)c(/C=C(\C#N)C(=O)NC2CCCCC2)cc1C(C)C 23382864 FZCKRQRCNGDOCE-GZTJUZNOSA-N 340.467 4.483 50 40 EIGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2C)o1 252488479 ISVMKECQKUZXOK-FLIBITNWSA-N 346.180 4.098 50 40 EIGB O=C(NNc1ccc(Br)cc1)Nc1ccc(Cl)cc1 5569817 HNXINGHBCAJRTM-UHFFFAOYSA-N 340.608 4.251 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)cc1C 6215614 BCLRNBDWPDUTGL-GHRIWEEISA-N 349.434 4.432 50 40 EIGB O=[N+]([O-])c1ccc2nc(-c3cccc(CBr)c3)oc2c1 73641994 DSZDNYNTWFNGPP-UHFFFAOYSA-N 333.141 4.298 50 40 EIGB COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl 125235944 MXFDZTKSIZSQPF-YDRQLGOLSA-N 340.810 4.133 50 40 EIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(C)c1 3023366 ZUBSUYGBGAZZGE-LPYMAVHISA-N 338.451 4.130 50 40 EIGB CC1=C/C(=N\NC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 5754218 BRXKEIYWKIISAF-UYRXBGFRSA-N 341.238 4.365 50 40 EIGB Cc1cc(SC#N)cc(C)c1NC(=O)CC1(C(=O)O)CCCCC1 13469833 SXTOZXDLHJJFKZ-UHFFFAOYSA-N 346.452 4.240 50 40 EIGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccccn1 84572960 MSEUKQVRPBEDPS-JXAWBTAJSA-N 349.397 4.393 50 40 EIGB Cc1c2ccccc2c(/C=N\NC(=O)c2cccnc2)c2ccccc12 409002110 SMXWOLFTJIOPCS-OYKKKHCWSA-N 339.398 4.460 50 40 EIGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc(F)cc1 307916 JOHZVVAXKAXZGF-OEAKJJBVSA-N 348.377 4.022 50 40 EIGB CCCCCCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 5951165 APIWQMWLUFLGRY-OQKWZONESA-N 338.451 4.339 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 33408392 WHDBJKHNDXAISL-SSZFMOIBSA-N 337.398 4.218 50 40 EIGB O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)COC2=O 85875452 GAECVSHNSBGPMV-ZDUSSCGKSA-N 337.466 4.010 50 40 EIGB biogenic Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2Br)c1 213090074 VVDKDJMZHQIDIE-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB O=C(CSCCc1ccccc1)N/N=C/c1cccc2ccccc12 408726540 MRTRHSSEHOIKCM-PXLXIMEGSA-N 348.471 4.266 50 40 EIGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 349109 XXUZYCANKWASQU-SFQUDFHCSA-N 330.387 4.160 50 40 EIGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)NCCc1ccccc1 7158686 SHCQFECSTSIPRQ-RVDMUPIBSA-N 345.229 4.259 50 40 EIGB N#CC1=C(O)CN(c2ccc(Br)cc2)Cc2ccccc21 103614372 HAUAHXWLJHVQEQ-UHFFFAOYSA-N 341.208 4.262 50 40 EIGB CCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(F)(F)F 96189821 QZPRWNHUDURYAS-NTEUORMPSA-N 348.324 4.486 50 40 EIGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c1 408777294 XONVVWRCJHZWKN-YBEGLDIGSA-N 336.391 4.028 50 40 EIGB O=C(N/N=C\c1cccs1)c1ccc(N2Cc3ccccc3C2)cc1 4498610 NSQZDESBXHVIRJ-MTJSOVHGSA-N 347.443 4.032 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Br)cc1 5751688 DDBVMBNOKXXJQH-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB CCC[C@H](Br)C(=O)Nc1nc2c(F)cc(F)cc2s1 20132641 GIJXZLDFZSSINR-ZETCQYMHSA-N 349.200 4.077 50 40 EIGB C/C(=N\NC(=O)c1cc2c(s1)CCCCCC2)c1scnc1C 84065548 VETIALIPNOQNLZ-XDHOZWIPSA-N 347.509 4.326 50 40 EIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(C)c1C 408779161 AUYRPLFZTNPJHX-DHDCSXOGSA-N 327.815 4.149 50 40 EIGB Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C 408786469 QJJLIFCLWJVPDH-ODLFYWEKSA-N 335.451 4.143 50 40 EIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1 349786 VFDVFCNWXHCWDM-INIZCTEOSA-N 334.400 4.128 50 40 EIGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nnc2n1CCCCC2 6209538 FUGIBVNDLPWMHX-XYOKQWHBSA-N 333.222 4.375 50 40 EIGB Cc1ccsc1/C=C(/C#N)C(=O)Nc1cccc(OC(C)C)c1 408781467 AOZMNTWQQMHCSV-ZROIWOOFSA-N 326.421 4.389 50 40 EIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1 585139612 QFIVLDNJFXXQEU-UWGXRMARSA-N 336.357 4.307 50 40 EIGB N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@H]1c1ccc(Cl)cc1 495158 WUXGEUYKUIZUTD-KRWDZBQOSA-N 348.789 4.417 50 40 EIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 4677907 VPFGYZQOTOMDRP-KGENOOAVSA-N 341.842 4.094 50 40 EIGB Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3cccc4ccccc34)ccc21 6480055 VSRVHRJGFMGERP-ATVHPVEESA-N 339.398 4.094 50 40 EIGB COC(=O)c1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1 408579865 KTTXYTFRRIENBE-XNTDXEJSSA-N 342.192 4.300 50 40 EIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C 4544397 LTNNRXLUPJTEIZ-WYRKQZDXSA-N 346.858 4.341 50 40 EIGB N#C/C(=C\C1[C@@H](Cl)CCC[C@H]1Cl)C1CCC([N+](=O)[O-])CC1 5600204 WRNXYQJMDGJCID-DZVJAKCGSA-N 331.243 4.287 50 40 EIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCCCCC2)c1C 96248545 XTZDOZNUGYJLMZ-XMHGGMMESA-N 327.472 4.215 50 40 EIGB Cc1ccc(OC[C@H]2O[C@H](Cl)C[C@@H]2Oc2ccc(C)cc2)cc1 27889542 VJQUMYQNPLTFOB-OTWHNJEPSA-N 332.827 4.484 50 40 EIGB CCc1ccc(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1 409366031 XMOWBOCPAFBYHV-JAIQZWGSSA-N 335.234 4.249 50 40 EIGB FC(F)(F)C(F)(F)[C@H]1CCCC[C@H]1I 2386458 DSLYPUILDQBYTC-NTSWFWBYSA-N 328.062 4.178 50 40 EIGB CCCOC(=O)c1cccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)c1 13004473 LDEUUVXQZPQLGU-FYWRMAATSA-N 346.390 4.106 50 40 EIGB CCCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC 13943550 RQXAYTQKQFRTAB-PTNGSMBKSA-N 333.391 4.424 50 40 EIGB CC(=O)Nc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1 24362064 BADQSVHGLULGPE-MDWZMJQESA-N 331.297 4.123 50 40 EIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4173347 QTUHOHIWUVUDMO-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(O)c1 15895020 FVTRROKVJMJENU-JCMHNJIXSA-N 330.387 4.213 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 20197619 YLQGGTTXWULQNY-PXLXIMEGSA-N 332.403 4.393 50 40 EIGB Cn1c(/C(C#N)=C\c2cccc(Br)c2)nc2ccccc21 33377452 MMZHVLPZLHGLCY-LCYFTJDESA-N 338.208 4.400 50 40 EIGB COC(=O)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1 20895310 QVPZBAFFQDXPFG-CQSZACIVSA-N 339.482 4.126 50 40 EIGB biogenic N#Cc1c(NC(=O)[C@H](Cl)c2ccccc2)sc2c1CCCC2 74941575 UZVKNRBBENBHMV-OAHLLOKOSA-N 330.840 4.417 50 40 EIGB Cc1ccc(N/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 100835265 ICCBTKVSPDYKSO-QBFSEMIESA-N 345.324 4.472 50 40 EIGB CCCCOC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccccc2)c1 1768623 RYFRJJVAICTRHS-QGOAFFKASA-N 348.402 4.189 50 40 EIGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccccc2)cc1 3101321 DUJWWUSGUHLWFS-CJLVFECKSA-N 329.403 4.218 50 40 EIGB COc1ccc(C(=O)N/N=C/C2=C(c3ccccc3)[C@@H]3C=C[C@H]2C3)cc1 4902712 WVVIFNLXHIGWDW-XABCGOHFSA-N 344.414 4.071 50 40 EIGB Cc1cc(Br)cc2sc(NC(=O)CCCCl)nc12 20133535 MKDZLFRJNSUZOG-UHFFFAOYSA-N 347.665 4.325 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)c1 59248752 NLPUEHHPKYKNCG-VKAVYKQESA-N 327.387 4.331 50 40 EIGB CS(=O)(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)cc1Cl 72427648 HLNAFAXUDSFRFB-OQLLNIDSSA-N 333.796 4.041 50 40 EIGB N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408781161 BBCADOPYKNHGIX-WDZFZDKYSA-N 333.174 4.245 50 40 EIGB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CCl 375912 FZASWUJFYQIWBM-UHFFFAOYSA-N 346.645 4.032 50 40 EIGB CCN(C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1)c1ccccc1 3178503 XBPDAJADUMMSND-NTCAYCPXSA-N 342.345 4.248 50 40 EIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-] 5131174 AUJGFXLETCBZHJ-UKTHLTGXSA-N 341.754 4.102 50 40 EIGB Cc1noc2ncc(C(=O)NN(c3ccccc3)c3ccccc3)cc12 48254056 MUWIVGLGNDHPDS-UHFFFAOYSA-N 344.374 4.014 50 40 EIGB Cc1ccc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(C)c1 59302525 YRCOTSLIIUZHMU-CIAFOILYSA-N 334.423 4.259 50 40 EIGB Cc1ccc(-c2noc(/C(C#N)=C\c3cnc4ccccc4n3)n2)cc1 69895505 DCTWRNKRYMBSIO-GDNBJRDFSA-N 339.358 4.052 50 40 EIGB CCCC[Sn](CCCC)(SC#N)SC#N 195904731 JHZWKDMAVKVNDM-UHFFFAOYSA-L 349.113 4.457 50 40 EIGB O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)nc2ccccc12 247869 ZWCPEGBZUBYLFZ-HYARGMPZSA-N 341.370 4.259 50 40 EIGB CSc1ccc(/C=N/NC(=O)c2cc3cccc(C)c3nc2C)cc1 1008032 SGIFIOWJFZMCLR-CIAFOILYSA-N 349.459 4.337 50 40 EIGB ClCCN(CCN(CCCl)c1ccccc1)c1ccccc1 1762977 NJSNNTWEPLNARQ-UHFFFAOYSA-N 337.294 4.477 50 40 EIGB Cn1c(/C(C#N)=C/c2cccc(Br)c2)nc2ccccc21 3899790 MMZHVLPZLHGLCY-UKTHLTGXSA-N 338.208 4.400 50 40 EIGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2O)cc1 408582025 LDRRPIQHUKWRJW-MDWZMJQESA-N 330.181 4.227 50 40 EIGB Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 96215 PDYXTXFVOFJHLA-HZHRSRAPSA-N 344.414 4.338 50 40 EIGB Cc1ccc(-n2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)cn2)cc1C 4170639 FUQLHKVFARPEFN-LICLKQGHSA-N 339.402 4.430 50 40 EIGB COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl 408567040 CKYYQVVKEXALJV-WDZFZDKYSA-N 327.746 4.428 50 40 EIGB COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1C 409022231 KGBAJGNOGKSEFK-JMIUGGIZSA-N 342.782 4.167 50 40 EIGB CCc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@@H]32)cc1 4631649 OTQGRWKTNXXLPH-CFLQYTFWSA-N 342.446 4.089 50 40 EIGB O=C(COc1ccc(Cl)cc1Cl)NN=C1CCCCCC1 5670682 WGVHHLYFAOXISU-UHFFFAOYSA-N 329.227 4.199 50 40 EIGB CCc1ccc(/C(C)=N/NC(=O)c2cc(C)nc3ccccc23)s1 5954420 VBIKUOQMZGSCNY-FYJGNVAPSA-N 337.448 4.321 50 40 EIGB N#C/C(=C/c1ccc(Br)cc1)c1ccc(C(=O)O)cc1 33741631 WEBUKZGOJODPEP-ZROIWOOFSA-N 328.165 4.211 50 40 EIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 211487360 GJHCTDLTXBMHPL-ATVHPVEESA-N 348.402 4.114 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C 7158030 OBCHWKMOSDQGQY-RAEJIQIESA-N 348.446 4.450 50 40 EIGB O=C(CSc1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 58927887 PUUJANRYDHCSMR-GIJQJNRQSA-N 339.247 4.236 50 40 EIGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Cl)c1O 409366153 STMZJXZHBDFDDT-ACAGNQJTSA-N 343.766 4.237 50 40 EIGB CC1=C(C#N)C(=O)O[C@]1(C)[C@H](CC(=O)c1ccccc1)c1ccccc1 1609357 RAWPQWPJWSEZEZ-KNQAVFIVSA-N 345.398 4.199 50 40 EIGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(F)cc2s1 20132921 KHTBBQQACYLNNH-SECBINFHSA-N 345.237 4.328 50 40 EIGB N#C/C(=C/C=C/c1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 33757821 XJHQZDQUBASZEN-FPRYLXCSSA-N 332.281 4.400 50 40 EIGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1cccc(Cl)c1 408598557 DHPRWJUHZYYRNU-MLPAPPSSSA-N 344.754 4.330 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1cc(C)ccc1C 408719927 PZMQYVIDDVCPHD-GFXBCDTMSA-N 340.492 4.466 50 40 EIGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409135103 UJWNGOVXLFHICB-AUQXIXNCSA-N 342.464 4.025 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C 566302 SRWAMMDVUMIUOZ-QPEQYQDCSA-N 348.233 4.494 50 40 EIGB C=CCOc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 3175075 POFFVNWUGXTYIQ-RGVLZGJSSA-N 349.217 4.322 50 40 EIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1Cl 4499574 KUNJDCPLTJGRCC-UFFVCSGVSA-N 340.732 4.052 50 40 EIGB CCCOc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 59473732 VCZPDZYMRYNUJK-HMMYKYKNSA-N 342.464 4.108 50 40 EIGB Cc1ccn2c(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)c(C)nc2c1 409003268 ZAOXMMXBBGXFFW-LPYMAVHISA-N 348.450 4.013 50 40 EIGB Cn1c2ccccc2c2ccc(CC(=O)N/N=C/c3ccccc3)cc21 571531 FJFZIIMUGCKFDF-HZHRSRAPSA-N 341.414 4.024 50 40 EIGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C(/C)c1ccc(F)cc1 5954013 QYIPRQACQDZACR-MTEVNVADSA-N 347.821 4.210 50 40 EIGB Cc1cc2nc(/C(C#N)=C/c3coc4ccccc4c3=O)[nH]c2cc1C 7602766 AIIBKSPGEWBYLU-NTEUORMPSA-N 341.370 4.350 50 40 EIGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1O 33281549 FBHSQDZOTUICSL-JAIQZWGSSA-N 340.766 4.070 50 40 EIGB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)CCl 216859555 WXYQVJYVQFISKF-UHFFFAOYSA-N 344.798 4.298 50 40 EIGB ClCc1cc2cccc(I)c2nc1Cl 685937470 WHKJFAKGGQKLLG-UHFFFAOYSA-N 337.975 4.232 50 40 EIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(F)cc1 565796 DOAGXZIBCOVITH-OEAKJJBVSA-N 348.377 4.022 50 40 EIGB CC(C)(C)OC(=O)n1nc(CBr)c2cc(Cl)ccc21 80443841 CRTSOAUNUCOUFT-UHFFFAOYSA-N 345.624 4.368 50 40 EIGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)c2ccccc2)cc1 102884834 CMRRRSJQLAKTBC-UHFFFAOYSA-N 347.326 4.045 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@H]1C[C@H]2CC[C@H]1C2 106272323 DRNISQFRIZSJKT-NMMWRQQPSA-N 348.874 4.344 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1 140284 GOTKQCGATVGPEF-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB CC(=O)NC1=C(C#N)[C@@H](c2ccccc2)c2c(ccc3ccccc23)O1 349956 QAFFESXRWSIJFA-HXUWFJFHSA-N 340.382 4.235 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccc1-n1cccc1 3206711 RKFFETJCJSSLRK-HYARGMPZSA-N 342.402 4.031 50 40 EIGB COc1ccc(NC(=O)[C@@H](Sc2ccccc2)[C@@H](C)Cl)cc1 4843864 XCJAXCVCSNMOHY-WBMJQRKESA-N 335.856 4.422 50 40 EIGB COc1ccc([C@H](C#N)N(C(=O)CCCl)c2ccccc2C)cc1 5100492 ICDGBMNRPFYTAE-SFHVURJKSA-N 342.826 4.230 50 40 EIGB CCc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccccc1 408846780 KXPDRJXHRJDDFH-QNGOZBTKSA-N 332.407 4.195 50 40 EIGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1 409249684 KFTXSTSFROBRNL-PXLXIMEGSA-N 338.451 4.076 50 40 EIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1 143560 SDQXBZQZWILYBV-QGOAFFKASA-N 333.435 4.422 50 40 EIGB C#CCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC 13451710 OSLSYJUFKXXRTL-RVDMUPIBSA-N 346.411 4.381 50 40 EIGB O=C1C(Cl)=C2Oc3ccc(Cl)cc3N=C2[C@H](Cl)[C@H]1Cl 104811670 NPBQKLCVEDWXFQ-HTQZYQBOSA-N 336.989 4.053 50 40 EIGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(N)=O)c1 408881999 OPBPRBWIJIWJRN-LDADJPATSA-N 342.398 4.120 50 40 EIGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 1560767 ZTUAJYARNSCRID-XWXNGHRZSA-N 344.201 4.051 50 40 EIGB CCOc1ccc(C(=O)N/N=C(/C)C23CC4CC(CC(C4)C2)C3)cc1 4646830 SPKYCXQPNCBMBK-HMAPJEAMSA-N 340.467 4.407 50 40 EIGB Cc1cc(N(CCCl)CCCl)ccc1/C=C/c1ccncn1 66113245 IJEHJXXZWJAKAU-DUXPYHPUSA-N 336.266 4.239 50 40 EIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(OC)c(Cl)c2)o1 211570816 SBOXDROAWZDDFM-WQLSENKSSA-N 331.755 4.079 50 40 EIGB C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc(C)cc1 408777188 WDQVBEGYINICGX-CAPFRKAQSA-N 326.465 4.077 50 40 EIGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 559278 PILJJHRWVVSBAM-LDADJPATSA-N 344.414 4.468 50 40 EIGB CC1=C(C#N)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 3186418 CHSSTONFNLTDCP-INIZCTEOSA-N 332.325 4.197 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1 5952662 QHHLFSOJLGXPJR-LFIBNONCSA-N 341.794 4.389 50 40 EIGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2ccc(NC(=O)CC)cc2)C1 30738289 XMVDLLYYIXBGPR-USCXLKSCSA-N 339.439 4.053 50 40 EIGB N#CC(C#N)=Cc1ccccc1OCc1ccc(Br)cc1 59410687 SBCYQXMBSNSSRG-UHFFFAOYSA-N 339.192 4.459 50 40 EIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c1 408805859 LVRQTIOJIMMTJT-NTEUORMPSA-N 326.783 4.203 50 40 EIGB CCOc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 148341 MZRRGWYSPDTQIF-LFIBNONCSA-N 347.823 4.077 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(F)F)cc1 2634547 HYCOBRPRNYFOMG-GXDHUFHOSA-N 328.318 4.142 50 40 EIGB CC(C)/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 4578539 RUVFNJHBOGFHRO-XDOYNYLZSA-N 332.403 4.336 50 40 EIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 5750530 INANEZRBJLXOIZ-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 12404058 PCEQGCVAQGBZOD-OGAOFSLMSA-N 347.802 4.266 50 40 EIGB Cc1ccc(/C=N/NC(=O)CCSc2ccccc2)c(C)c1C 59473138 GDRQRTHBNLROKE-DEDYPNTBSA-N 326.465 4.244 50 40 EIGB N#CSCC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 216860649 ACLOEQYTUYGLOD-UHFFFAOYSA-N 343.795 4.301 50 40 EIGB COC(=O)c1c(-c2ccccc2Cl)csc1NC=C(C#N)C#N 6847832 OKVIALNHVWNZBB-UHFFFAOYSA-N 343.795 4.198 50 40 EIGB Cn1c(/C=C(\C#N)C(N)=S)ccc1-c1cc(Cl)ccc1Cl 13758758 QMQSAHFUILKNQU-RMKNXTFCSA-N 336.247 4.192 50 40 EIGB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccccc1Br)C2 100868675 GSFCHKIKFJHWSE-AGIKKIGOSA-N 349.272 4.381 50 40 EIGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1Cl 141764 NVHIHRAUGUJVFW-DHZHZOJOSA-N 333.174 4.245 50 40 EIGB CC(C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 354876 VOUCZFOSJUFTCA-RGVLZGJSSA-N 330.815 4.025 50 40 EIGB CN(c1ccc(C=C(C#N)C#N)cc1)c1ccc(C=C(C#N)C#N)cc1 509485 MRJXJGQKCMBPLO-UHFFFAOYSA-N 335.370 4.316 50 40 EIGB CCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC 3899808 BGHWUXOJAWPQCK-FOWTUZBSSA-N 347.418 4.435 50 40 EIGB COc1ccc2nc(/C(C#N)=C/C=C/c3ccccc3[N+](=O)[O-])[nH]c2c1 6459023 RDUXIPVSSCTYAU-BOGGDHRQSA-N 346.346 4.100 50 40 EIGB O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 38201009 SOCHORDTUPHKHA-UCQKPKSFSA-N 348.377 4.169 50 40 EIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)ccc1O 408744768 MQQITYIASZLOIW-LGMDPLHJSA-N 348.402 4.065 50 40 EIGB CC(C)c1cc(/C=N\NC(=O)Cc2ccccc2)cc(C(C)C)c1O 408846199 PGLDNRMFTRXVTQ-XKZIYDEJSA-N 338.451 4.332 50 40 EIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccc(Cl)c2)cc1 409116563 JLAWEEUKHWEXDP-MDBUFAAASA-N 332.856 4.279 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1cccs1 371053 BJLZAODHCMDQSD-HWQJWEFDSA-N 336.844 4.018 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)o1 1407023 JECBLUATTZAEHJ-FOWTUZBSSA-N 337.423 4.288 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 2789002 OQHUCSRLLXZVGQ-MDWZMJQESA-N 341.754 4.102 50 40 EIGB Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)OC2=O)cc1 95676359 IEEAUIGZDLBHDW-UHFFFAOYSA-N 342.441 4.483 50 40 EIGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)Cn1cnc2ccccc21 408691778 PWCXHKSEVDONMX-LFYBBSHMSA-N 337.766 4.026 50 40 EIGB C/C(Cc1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 249374 ZCVLDYBNRIBFLQ-HBBMIWKISA-N 344.842 4.151 50 40 EIGB COc1ccc(C2=CC(=C(C#N)C#N)c3cc(C)ccc3O2)cc1OC 949812 JHZVKLVWFLCDDT-UHFFFAOYSA-N 344.370 4.246 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@H]1C[C@@H]2CC[C@@H]1C2 104066113 DRNISQFRIZSJKT-SDGBZKFCSA-N 348.874 4.344 50 40 EIGB CCn1cccc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 409239647 HYHFIBNDAIVTND-XFXZXTDPSA-N 333.313 4.072 50 40 EIGB N#C/C(=C\c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 138397 GLYQGBXBPVYOHS-LFIBNONCSA-N 331.400 4.356 50 40 EIGB CCSC1=C(C#N)[C@@H](c2ccccc2)[C@H](c2ccccc2)C(=O)N1 387004 RLXFMEPBWYKMPE-MSOLQXFVSA-N 334.444 4.172 50 40 EIGB C=CCN(CC=C)Cc1cccc(N(CCCl)CCCl)c1 1763119 LOWVPRVOJARPKH-UHFFFAOYSA-N 327.299 4.145 50 40 EIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1 7945266 AQSWCEKLTLUMGW-HYARGMPZSA-N 348.402 4.098 50 40 EIGB Cc1nc(/C=C/C(=O)NN(c2ccccc2)c2ccccc2)cs1 10642083 SPFOAPHIRFDBKG-OUKQBFOZSA-N 335.432 4.334 50 40 EIGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(C)cc1 59473679 XJXDTCSQEVWAOQ-HEHNFIMWSA-N 340.492 4.385 50 40 EIGB O=C(CCCCCBr)Nc1ccc(Br)cc1 71256244 VERJPAGDMKNAHC-UHFFFAOYSA-N 349.066 4.343 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@H](C)O3)c(C)c1 408710805 LPVVTFKYIIUGOJ-LZNAANCOSA-N 332.403 4.173 50 40 EIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 408889422 GPNQJUADECKZDE-NTUHNPAUSA-N 341.754 4.102 50 40 EIGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409013405 NFYDQKBOCQVADI-DJKKODMXSA-N 337.206 4.042 50 40 EIGB Cc1ccc2nc(/C(C#N)=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 5387296 SXAYMIALQQSPAM-KPKJPENVSA-N 338.754 4.497 50 40 EIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1 5867197 ZEEZUXNJYOXKTD-FYJGNVAPSA-N 343.858 4.259 50 40 EIGB C/C=C1\C[N+]2(CCCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 16956738 LQDGJFHWZHMWLV-AMEIQMLBSA-O 349.498 4.172 50 40 EIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(C)c1O 106403139 YCYYGNRPHOTFBU-UFWORHAWSA-N 337.206 4.080 50 40 EIGB Cc1cc2c(cc1/C=N\NC(=O)c1ccco1)[C@H](C)CC(C)(C)N2C 208213498 BGSARSZKKOZRCB-LQFJMUIISA-N 339.439 4.074 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C/c1ccccc1C(F)(F)F)c1ccccc1 3271475 GFUOIVDPMMMTHR-XDUBLRSXSA-N 344.336 4.490 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1C 4211359 VXGSNJHTLVNXMU-NTEUORMPSA-N 326.783 4.203 50 40 EIGB CC(=O)Nc1ccc(/C(C#N)=C/c2ccc(N(C)CCC#N)cc2)cc1 1735969 RLWHUNLBCBXSCA-XMHGGMMESA-N 344.418 4.059 50 40 EIGB O=P(OCCCl)(OCCCl)[C@@H](O)c1ccccc1Cl 2045550 CVFOSPAQFDOXEW-LLVKDONJSA-N 347.562 4.035 50 40 EIGB C[C@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)ccc2O1 2204190 YXRKHIHGXDHPIV-DGGAMASNSA-N 338.794 4.209 50 40 EIGB COc1cccc(/C(C)=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 6052388 PUIBSEQMNBDPDX-JBBFIGJUSA-N 342.464 4.036 50 40 EIGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1O 409392711 NGDQPQLDARNJMY-XGICHPGQSA-N 348.171 4.367 50 40 EIGB C/C(=N/NC(=O)c1cc(C)oc1C)c1ccc(Cl)cc1Cl 19835387 NYPSSDUQAQJVFK-NVMNQCDNSA-N 325.195 4.357 50 40 EIGB Cc1ccsc1/C=N/NC(=O)CCSc1ccc(Cl)cc1 40486339 XNSJLHIZXCDCLE-LICLKQGHSA-N 338.885 4.342 50 40 EIGB Cc1ccc(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)c(C)c1 216045375 IWADVKXWPZJOMW-JMIUGGIZSA-N 335.234 4.303 50 40 EIGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc(Cl)cc1 408779158 AURGCHFNNLALAP-CPNJWEJPSA-N 332.856 4.281 50 40 EIGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 48972 OXCKEJFJWMVYQB-GOSISDBHSA-N 347.443 4.053 50 40 EIGB COC(=O)/C(C#N)=C/c1ccc(-c2ccc(SC(F)F)cc2)o1 540175 POOVZVPTYLEYKE-DHZHZOJOSA-N 335.331 4.341 50 40 EIGB CC(C)(CCl)C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1 2152088 ARNSJHDPZDEBKC-UHFFFAOYSA-N 340.757 4.356 50 40 EIGB Br[C@@H]1[C@H](Br)[C@@H]2[C@@H]3C=C[C@H](c4ccccc43)[C@@H]12 104134101 ZODXXDUTGWNXPA-UQPQVDFHSA-N 340.058 4.210 50 40 EIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1 3908971 DNZGVGXDBBDNMX-CIAFOILYSA-N 338.794 4.353 50 40 EIGB CC/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc(OC(F)F)cc1 6046625 YAFAMTHMEVTDNK-OQKWZONESA-N 346.377 4.449 50 40 EIGB CCC[C@H](Br)C(=O)Nc1nc2cc(C)c(C)cc2s1 20132537 VUNWICVHSPLTNM-JTQLQIEISA-N 341.274 4.415 50 40 EIGB CC(=O)Nc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1 27481034 GUKAQPUWKPDQLG-HNNXBMFYSA-N 338.498 4.298 50 40 EIGB biogenic O=C(CCc1cccs1)NN(Cc1ccccc1)c1ccccc1 32255661 NEXVFZOWDRDVJE-UHFFFAOYSA-N 336.460 4.419 50 40 EIGB CC1=C(C#N)C(c2cc(Cl)ccc2OC(F)F)C(C#N)=C(C)N1 32694177 MHEUMJONIIFEFM-UHFFFAOYSA-N 335.741 4.223 50 40 EIGB N#C/C(=C/c1csnn1)c1nc2cc(C(F)(F)F)ccc2s1 48354402 YGLLYTQPEYGJTP-CLTKARDFSA-N 338.339 4.231 50 40 EIGB Cc1cc(C(=O)N/N=C/C=C/c2ccco2)c(C)n1-c1ccccc1 63357367 GGPYUEYEIYJVBG-JJJRJKGESA-N 333.391 4.116 50 40 EIGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1Cl 408897615 YYKSWGXFLJQXHU-CIAFOILYSA-N 338.794 4.266 50 40 EIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1Cl 409013351 NBLWNCCQQNPVDT-KIHMUJGBSA-N 348.805 4.420 50 40 EIGB Cn1nc(C(F)(F)F)c(CBr)c1Oc1ccccc1 12370778 ZPLVOLPZNXRNTB-UHFFFAOYSA-N 335.123 4.126 50 40 EIGB CN(C)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 16975412 ZDXUDWFUBQRHEL-ZROIWOOFSA-N 327.771 4.378 50 40 EIGB N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCCc1ccccc1 33431587 HJQQKNQBTOWQAJ-KAMYIIQDSA-N 345.229 4.259 50 40 EIGB C[C@@H](I)CC(F)(C(F)(F)F)C(F)(F)F 2572597 DOOITBZJYVIFEO-GSVOUGTGSA-N 338.004 4.033 50 40 EIGB COC(=O)c1c(-c2cccs2)csc1NC(=O)CCCCl 3267749 ZGYSMOZRJMMEQJ-UHFFFAOYSA-N 343.857 4.221 50 40 EIGB O=C(Oc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C(F)(F)F)cc1 3294235 NFVJSUAZVBUZIA-UHFFFAOYSA-N 345.660 4.486 50 40 EIGB Cc1csc(N(C(=O)CCl)c2cccc(C(F)(F)F)c2)n1 3426825 YWUWBHCKGHYVNJ-UHFFFAOYSA-N 334.750 4.374 50 40 EIGB CCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 4454020 RQXAYTQKQFRTAB-RVDMUPIBSA-N 333.391 4.424 50 40 EIGB Cc1ccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1C 57414092 WUVDHLLPFJGJPE-KAMYIIQDSA-N 325.799 4.415 50 40 EIGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cccc(F)c1 59303187 DJGVRZDSMVNDFF-CIAFOILYSA-N 341.773 4.034 50 40 EIGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1 59334474 IYFPNXTZCCPBMJ-ZHZULCJRSA-N 349.478 4.432 50 40 EIGB N#C/C(=C/c1ccc(N2CCCCC2)o1)c1nc2ccc(F)cc2[nH]1 408569019 YCIHSKVPXZSJQU-RAXLEYEMSA-N 336.370 4.349 50 40 EIGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 510146 VQAMAXDLEOTVKP-LFIBNONCSA-N 348.377 4.299 50 40 EIGB O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 1415093 ZHNBNMUXQKIFTL-UHFFFAOYSA-N 329.812 4.220 50 40 EIGB CC(C)=C/C(C)=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 5290852 CIWKMRIZIYEZGW-YYTOJMEDSA-N 332.447 4.451 50 40 EIGB CCc1cccc2c(C(=O)/C(C#N)=C/c3cccc4c3OCO4)c[nH]c12 40139864 WDJMWXBFJZEMAR-OQLLNIDSSA-N 344.370 4.249 50 40 EIGB C=C(C)C(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 195767228 HBOYQHJSMXAOKY-UHFFFAOYSA-N 348.664 4.271 50 40 EIGB COc1ccc(C(=O)Cl)cc1OC(=O)c1cccc2ccccc12 218727554 WAGBNCZAXBNCDG-UHFFFAOYSA-N 340.762 4.447 50 40 EIGB CCCCC(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 2265344 FSBYKDQMXHSWAO-UHFFFAOYSA-N 341.436 4.220 50 40 EIGB CC(/C=N/NC(=O)CNc1cccc2ccccc12)=C\c1ccccc1 14921715 BWXSQKAFZWJZIF-RWOQWNJLSA-N 343.430 4.457 50 40 EIGB O=C(N/N=C\c1ccccc1OCc1ccccc1)c1ccccc1 33285452 GHTMJAGUKALNPR-JCMHNJIXSA-N 330.387 4.030 50 40 EIGB COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 43362 QOQNAHWGCDJVON-CIAFOILYSA-N 344.842 4.410 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 48770 BMPXLFNVEDLWLI-FMIVXFBMSA-N 346.180 4.179 50 40 EIGB Cc1cc(C(=O)c2ccc(Cl)cc2)c(NC(=O)CCl)s1 415531 BMKCSOXBJWYBOI-UHFFFAOYSA-N 328.220 4.118 50 40 EIGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 566173 AXZHFOLKWDQLSH-DHZHZOJOSA-N 347.237 4.365 50 40 EIGB CC(=O)c1ccc(NC(=O)c2ccc(CBr)cc2)cc1 96191251 YEFGKUJGWKVDMX-UHFFFAOYSA-N 332.197 4.036 50 40 EIGB O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1S 4726916 KLEVFCOAGRHQTN-IUXPMGMMSA-N 325.220 4.046 50 40 EIGB O=C/C(=C\Nc1ccccc1Br)c1nc2ccccc2o1 5395263 ZVFVFGIOTGYAKY-PKNBQFBNSA-N 343.180 4.242 50 40 EIGB O=C(CBr)Nc1ccccc1OCCCc1ccccc1 35605149 JKUDVUAUHFCLMN-UHFFFAOYSA-N 348.240 4.032 50 40 EIGB C=C[C@H]1CCP(c2ccccc2)(c2ccccc2)(c2ccccc2)O1 97950007 IZINUVWIMZTZSC-FQEVSTJZSA-N 346.410 4.406 50 40 EIGB COc1cccc(N/C=C(\C#N)c2ccc(OCCCF)cc2)c1 100373564 OODZMRCMILVWHB-JQIJEIRASA-N 326.371 4.410 50 40 EIGB N#C/C(=C\[C@@H]1CC[C@H](Cl)[C@H](Cl)C1)C1CCC([N+](=O)[O-])CC1 104159679 YXMOBOKLNGJUAP-GCBIWNBASA-N 331.243 4.287 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 108286378 UBLBMXFBZXCLDB-YBEGLDIGSA-N 337.354 4.398 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)cc1 408745405 RSHUDSOIGROWRP-BENRWUELSA-N 344.773 4.423 50 40 EIGB O=C(CCCCBr)c1ccccc1OC(F)(F)F 575359166 UHNPOWIIGIZIQW-UHFFFAOYSA-N 325.124 4.333 50 40 EIGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 502572 KRAHEXHNBPIOHX-HNNXBMFYSA-N 349.371 4.028 50 40 EIGB O[C@@H](CBr)c1c(Br)ccc2ccccc12 1628174 OTLHAEJORVXWJZ-NSHDSACASA-N 330.019 4.031 50 40 EIGB Br[C@@H]([C@H](Br)c1ccccc1)[n+]1ccccc1 1712255 IJBLPQWDGWUFTG-CHWSQXEVSA-N 342.054 4.004 50 40 EIGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1O 76539629 DHYVBROZWUVXIW-OQLLNIDSSA-N 333.391 4.348 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408765257 UXMBXUTZCRWWIA-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB CSc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409133131 MPNFWYYSHQEOSF-BXUJETTOSA-N 344.505 4.348 50 40 EIGB CCCCOc1ccc(C(=O)N/N=C/C(C)=C/c2ccco2)cc1 2753874 USSSSTCOPHQYHC-IOJOKMQUSA-N 326.396 4.278 50 40 EIGB CO[C@@H](C(=O)N/N=C(\C)CC(C)(C)c1ccccc1)c1ccccc1 4502638 AUHIQMDDXITPAX-NDWLXSOOSA-N 338.451 4.234 50 40 EIGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccco1 5953760 HOVHKPMINQGZHV-NTCAYCPXSA-N 332.359 4.377 50 40 EIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccc(Br)cc2)C1 13477441 GNGSMHQHMMGKEZ-RKDSPFTASA-N 347.256 4.467 50 40 EIGB CCC(C)(C)OOC(C)(C)C#CC1(OC(=O)OC)CCCCC1 101031253 RUPRTNYGZZCYAP-UHFFFAOYSA-N 326.433 4.391 50 40 EIGB Fc1c(F)c(F)c(CBr)c(CBr)c1F 136958946 ZPCASPAMMMTVHF-UHFFFAOYSA-N 335.920 4.033 50 40 EIGB CC(=O)c1cccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 57414128 IRLBPRSRJAIFHC-KAMYIIQDSA-N 339.782 4.001 50 40 EIGB CC1(C)CC(=O)C2=C(C1)N1CCSC1=C(C#N)[C@H]2c1ccccc1 95117460 IWKMROSASZQSNH-QGZVFWFLSA-N 336.460 4.211 50 40 EIGB C#CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC 408581127 GHIJQUZINCKVPU-QGOAFFKASA-N 333.387 4.170 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 408864034 WPLLXEWFAZDOLM-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1 408888898 CNLYBVVSINSQBQ-NTEUORMPSA-N 326.783 4.203 50 40 EIGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccccc1F 7156484 PFBHOOJJFORGLO-XYOKQWHBSA-N 345.171 4.134 50 40 EIGB CCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(C)cc2s1 20132522 YIXNZZMPLSLBDA-SNVBAGLBSA-N 341.274 4.415 50 40 EIGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)c1c(Cl)cccc1Cl 44028283 DKUQUYLFUOLHPN-XYOKQWHBSA-N 346.169 4.481 50 40 EIGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21 59335555 WQCZKOHRUOVMAD-LGMDPLHJSA-N 339.398 4.129 50 40 EIGB FC(F)(F)c1ccccc1P(c1ccccc1)c1ccccc1 59458241 XXWQYFVSWQFZGS-UHFFFAOYSA-N 330.289 4.464 50 40 EIGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccccc2)c(C)c1 408820460 XVSRCHGSVOURTH-STZFKDTASA-N 332.407 4.250 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)cc1 6367927 LZALJOTXENXOFT-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@@H]1c1ccc(Cl)cc1 481851 JEFOYGBEIOFYCI-GOSISDBHSA-N 348.789 4.417 50 40 EIGB CCOc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1 13471390 PBCGTLXSIBFCPE-CXUHLZMHSA-N 342.402 4.094 50 40 EIGB Cc1ccc(/C=C/C(=O)NN(Cc2ccccc2)c2ccccc2)o1 32255330 CNHGGTIDXPNYRV-CCEZHUSRSA-N 332.403 4.339 50 40 EIGB CCOC(=O)/C(C#N)=C\c1c(OCC)ccc2ccc(OCC)cc12 409005151 CSMGHRHMMSFTBE-PTNGSMBKSA-N 339.391 4.107 50 40 EIGB N#C/C(=C/c1ccccc1)c1ccc(I)cc1 409372885 RWXQWHHBVUHEEP-UVTDQMKNSA-N 331.156 4.355 50 40 EIGB O=C(N/N=C/c1cccc2ccccc12)c1ccccc1-n1cccc1 6367626 KMCOXZBZWIRXRD-XQNSMLJCSA-N 339.398 4.394 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1 96130170 IYJVGMROKLPBMD-GZTJUZNOSA-N 348.402 4.051 50 40 EIGB O=[N+]([O-])c1ccc(S[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2Cl)c([N+](=O)[O-])c1 100397592 DLPPCOIUXKIEMT-AWRWRYAPSA-N 340.788 4.167 50 40 EIGB ClCCN(CCCl)c1ccc(/C=N\N=C/c2ccco2)cc1 104098721 UDOHJUAPUOACKQ-YXZJEIOKSA-N 338.238 4.017 50 40 EIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccccc1Cl 408800989 QWSLUEGFQOCMBM-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 1319272 MZVDUOSIZWTKRS-OMBDHMDGSA-N 344.842 4.383 50 40 EIGB C/C=C1\C[N+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 2139864 LQDGJFHWZHMWLV-ADWIIVPDSA-O 349.498 4.172 50 40 EIGB O=C(CNc1ccc2ccccc2c1)N/N=C/C=C/c1ccccc1 3080445 KVNAGOMYRCELQU-SKRBABGKSA-N 329.403 4.067 50 40 EIGB C/C(=N/NC(=O)Cc1cccs1)c1ccc(Cl)cc1Cl 5024579 LZKBRUPZQKJILP-MFOYZWKCSA-N 327.236 4.138 50 40 EIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3Cl)o2)cn1 4464253 XSPPLVYWHXDWRB-NHDPSOOVSA-N 339.782 4.067 50 40 EIGB N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc12 89857602 QNYJJFHJDLDLBD-NTCAYCPXSA-N 338.370 4.143 50 40 EIGB COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1C 100989082 ZABYZPJZMMTCCZ-NVNXTCNLSA-N 342.402 4.012 50 40 EIGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2Br)o1 252498434 RBYIPCATACIFRO-FLIBITNWSA-N 346.180 4.098 50 40 EIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1 408807254 GPVHEMZGCKPHSL-CXDFQFJYSA-N 334.419 4.087 50 40 EIGB O=C(N/N=C/c1ccc(N2CCCCCC2)o1)c1ccc(Cl)cc1 409189782 SRMUNCMGHQZRQR-DEDYPNTBSA-N 345.830 4.077 50 40 EIGB C#CCn1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c2ccccc21 302751 ZSAIRMDEXANGCZ-GHRIWEEISA-N 339.398 4.129 50 40 EIGB O[C@H](CBr)c1ccc(Br)c2ccccc12 2045698 AWFRBCYGBWRNSE-GFCCVEGCSA-N 330.019 4.031 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 5736344 OHGMTHPKPCTYOM-DTQAZKPQSA-N 337.398 4.218 50 40 EIGB CCOc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1OCC 408691914 XVGOCOAONQJBPE-BOPFTXTBSA-N 347.418 4.441 50 40 EIGB CNC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 4722740 CCPWZPXSXWRZRM-CPNJWEJPSA-N 342.398 4.072 50 40 EIGB O=C(N/N=C\c1cc(Cl)ccc1O)c1cc2cc(Cl)ccc2o1 409022324 JZLWTRRITKUYIU-UWVJOHFNSA-N 349.173 4.209 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c(F)c2)c1 409069716 VOVBGDHXDQCCIG-ATVHPVEESA-N 349.409 4.280 50 40 EIGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccccn3)cc2)cc1 409240513 UGWITDQYLUGLOE-HYARGMPZSA-N 347.443 4.305 50 40 EIGB Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1 587278 HHVIHHVEFIBXQK-HZHRSRAPSA-N 344.414 4.338 50 40 EIGB O=C(NN=C1CCCCCCCCCCC1)C(=O)NC1CCCCC1 5374954 QKBGOTOSHFTEMS-UHFFFAOYSA-N 349.519 4.212 50 40 EIGB CCOC(=O)/C(C#N)=C(/SC)[C@H]1CCCCCCC1=C(C#N)C#N 59662343 WVFNLWNXDLTZGO-MWWIPNPYSA-N 343.452 4.004 50 40 EIGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@]21C)c1ccc(Br)cc1 101728804 OXJOAEKUJZHJBA-HPHSPLPKSA-N 349.272 4.116 50 40 EIGB COc1cccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)c1 210427822 CZECWPLWXUWPMG-ATVHPVEESA-N 328.371 4.394 50 40 EIGB Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1 408579856 KQRNIPPLMRKGMM-OVCLIPMQSA-N 327.767 4.176 50 40 EIGB O=C(N/N=C/c1ccco1)c1ccc(CSc2ccccc2)cc1 233800 PSASWTKZPWYPKX-DEDYPNTBSA-N 336.416 4.336 50 40 EIGB CO[C@H](C(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)c1ccccc1 4714659 FBMJWZSWRHYBLP-OMNSNBSWSA-N 338.451 4.212 50 40 EIGB CN(C)c1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1 5930002 DNSJXBQFOZFDRW-UHFFFAOYSA-N 335.451 4.196 50 40 EIGB Cl[C@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1 19802108 BBLSIBKHJHRCHM-HXUWFJFHSA-N 328.887 4.174 50 40 EIGB C[C@@H]1CCCCCCCCCC/C1=N/NC(=O)CC1(C)OCCO1 32120406 YBWFCJAVYGZCAH-SBCIHWNMSA-N 338.492 4.162 50 40 EIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)s1 48333013 GOSNLCYEZPDOBG-FLIBITNWSA-N 347.237 4.365 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c2ccccc12 408797596 SBFJIJIGDZITEW-NTCAYCPXSA-N 344.370 4.100 50 40 EIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccccc2Cl)cc1 409139082 MCRFTMKKCGIUAZ-OTGIAGGSSA-N 332.856 4.279 50 40 EIGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)NC1CCCC1 409195185 UFBJNYXNYFHAEF-OWBHPGMISA-N 339.826 4.096 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Br)cc1 2777228 DDBVMBNOKXXJQH-GXDHUFHOSA-N 341.208 4.303 50 40 EIGB CC1(C)[C@@H](CBr)CC[C@@]1(C)C(=O)Oc1ccccc1 3845943 CERIJVMFMSRHSU-WBMJQRKESA-N 325.246 4.429 50 40 EIGB biogenic COc1ccc(/C=C(\C#N)C(=O)c2ccc(Br)cc2)cc1 4186997 CLXOYXCNLDFLSL-GXDHUFHOSA-N 342.192 4.248 50 40 EIGB Cc1cc(C(=O)N/N=C\C(Br)=C\c2ccccc2)c(C)o1 4549427 SQJMGMJPOZKFGT-CAAMVKPLSA-N 347.212 4.048 50 40 EIGB O=[N+]([O-])c1ccccc1S[C@@H]1[C@@H](Br)[C@H]2CC[C@@H]1C2 5171207 KKOQEMZGKXRRQE-FQPOAREZSA-N 328.231 4.249 50 40 EIGB CCOc1ccc2oc(C(=O)N/N=C\C=C\c3ccccc3)cc2c1 38179241 ILLMAIDOACQJRB-MIAABOGCSA-N 334.375 4.261 50 40 EIGB CCN(CC)[P+](Br)(N(CC)CC)N(CC)CC 100934167 WMSNRMOLMARNQC-UHFFFAOYSA-N 327.271 4.084 50 40 EIGB O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=C[C@H]2CC[C@@H]3CC[C@H]1[C@H]23 104286808 WWXZTUHOBSOXQW-NKMGPIEYSA-N 329.352 4.101 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(C(F)(F)F)c2)cc1 211709144 ZQKGOTXUXRFMQZ-LCYFTJDESA-N 346.308 4.260 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)c1 111458822 KTPBEVXHIIUBSO-PTNGSMBKSA-N 345.402 4.421 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 208207591 MNODIBAKFXMELA-BRABVMKYSA-N 349.478 4.481 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2)cc1 212119134 MHYBDQKJBXPDRX-ZROIWOOFSA-N 341.208 4.303 50 40 EIGB Cc1cccc(/C=N/NC(=O)CSCc2ccccc2Cl)c1 408791483 ZFWNVODIMFIGNZ-VXLYETTFSA-N 332.856 4.032 50 40 EIGB COc1cccc2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)oc12 408973823 VKFCCIAAYHADAF-CIAFOILYSA-N 336.391 4.329 50 40 EIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 409118759 UPHOADMZXQBWKR-XDHOZWIPSA-N 332.856 4.281 50 40 EIGB N#CC1=C(NC(=O)c2ccccc2)c2ccccc2CC12CCCC2 62056 UGRJQNZSYHYYOU-UHFFFAOYSA-N 328.415 4.468 50 40 EIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4041372 LMFXXFFJTUCGNB-LFIBNONCSA-N 335.363 4.264 50 40 EIGB N#C/C(=C1\CCCN1)c1nc(-c2ccc(Br)cc2)cs1 25337386 GUNVNNINLBJYJE-SEYXRHQNSA-N 346.253 4.191 50 40 EIGB Cn1cnc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc21 75327140 DHQDRLHKZUQTPH-ZDUSSCGKSA-N 335.498 4.226 50 40 EIGB O=C(N/N=C(/C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1 100969047 RBZVXMHWSPHJRW-FCDQGJHFSA-N 343.386 4.095 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1)c1ccccc1 3261451 PIBJZWJVZVEMMJ-BVTUPMQUSA-N 344.336 4.490 50 40 EIGB COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(OC(C)C)c1 408772402 LJSKUINGLGSLOH-WJDWOHSUSA-N 336.391 4.028 50 40 EIGB C=C(C)CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)CC(=O)N1 278371 GVJCHQCKPDELBH-INIZCTEOSA-N 326.465 4.458 50 40 EIGB Cc1ccc(NC(=O)c2ccccc2C[C@@H](Br)C#N)cc1 567964 JZYPJFPCOSLALW-CQSZACIVSA-N 343.224 4.077 50 40 EIGB Cc1ccc(C(=O)c2c(NC(=O)CCl)sc3c2CCCC3)cc1 3319623 UTTMGVVAOJLPQV-UHFFFAOYSA-N 347.867 4.344 50 40 EIGB COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(OC)c1C 33552843 BFACJGONVFAMAL-GDNBJRDFSA-N 333.391 4.261 50 40 EIGB CC(C)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2 49767363 OOHFJWCHEFCJDC-AXDKOMKPSA-N 334.456 4.493 50 40 EIGB biogenic N#C/C(=C/Nc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 57414144 FHDRSVMEWFOYAA-KHPPLWFESA-N 332.190 4.451 50 40 EIGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1cccc2ncccc12 2669875 VBZAUMSXAODTLH-SDNWHVSQSA-N 333.778 4.434 50 40 EIGB CC/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1 4650864 JRKVEWYSWRINJS-FBCYZVNJSA-N 326.827 4.374 50 40 EIGB C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(NC(C)=O)cc2)c1C 7208692 MVCGYCKZXKUYSD-LDADJPATSA-N 347.418 4.039 50 40 EIGB N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)c1c[nH]c2ccccc12 98055352 WFKXLBBOTHYYHT-KPKJPENVSA-N 346.777 4.259 50 40 EIGB CN1/C(=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)Nc2ccccc21 11617376 NFBWSUOMNZJVJT-GHRIWEEISA-N 344.201 4.473 50 40 EIGB N#C/C(=C/c1ccccc1Cl)C(=O)NCCc1c[nH]c2ccccc12 13425328 HHQXZUUWZHFNET-WJDWOHSUSA-N 349.821 4.087 50 40 EIGB O=C1C=C/C(=N\c2ccc3c(c2)[C@H](Br)c2ccccc2-3)O1 17322645 PIDZTHONYVXGQW-VXNZKSKFSA-N 340.176 4.294 50 40 EIGB CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408582742 PTNKQLLCVCKGSL-MHWRWJLKSA-N 339.391 4.175 50 40 EIGB Cc1c(/C=N/NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1C 408851506 ZWSXVIWPAQIMAS-RGVLZGJSSA-N 340.814 4.296 50 40 EIGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccco1 409187526 RNJFSVORRLVVGH-ZDLGFXPLSA-N 346.795 4.441 50 40 EIGB CCc1cc(C)cc(OCCOc2ccc(C=C(C#N)C#N)cc2)c1 5954336 AKJCXXSNTDVLSG-UHFFFAOYSA-N 332.403 4.446 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(Cl)c1 9190650 ACLFOPJSYYAFCJ-SRZZPIQSSA-N 339.826 4.212 50 40 EIGB CN(NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1 58393422 ZDZKAQBXPVRDRU-UHFFFAOYSA-N 343.839 4.245 50 40 EIGB CC(C)CCO[C@H](c1ccc2c(c1)OCO2)[C@H](C)Br 1614622 NQZQKOPOYAVWRM-NHYWBVRUSA-N 329.234 4.303 50 40 EIGB O=C(CCl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 38198107 SYSPYOPJPIGDEF-HMSRSJDVSA-N 344.798 4.234 50 40 EIGB C/C(=N\NC(=O)CCCc1ccccc1)c1ccc2ccccc2c1O 59942133 XJECLKHAKQUJDG-XQNSMLJCSA-N 346.430 4.409 50 40 EIGB Cn1c(SCCCCl)nnc1-c1ccccc1C(F)(F)F 228918160 UQWLJVGUMVBSOE-UHFFFAOYSA-N 335.782 4.222 50 40 EIGB Cc1ccc(/C=C/C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 409059099 PABOGWZUGXCQEK-ZTXDFWGGSA-N 333.218 4.465 50 40 EIGB Brc1cncc([C@@H](Br)c2ccccc2)c1 40279735 DMGMTLGBBMAZML-LBPRGKRZSA-N 327.019 4.328 50 40 EIGB Cn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21 408598457 AVOQAOACYIZDLY-LPYMAVHISA-N 327.387 4.095 50 40 EIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C)cc1 408800195 NQKJNLCMISVDRP-NTEUORMPSA-N 326.783 4.203 50 40 EIGB C=CCn1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21 237647 NXOHPZIVXZZXPN-DTQAZKPQSA-N 333.435 4.183 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc12 13371771 KSVBANNNVYJJKF-SSZFMOIBSA-N 334.419 4.204 50 40 EIGB CC(/C=N/NC(=O)COc1ccc(Cl)c(C)c1)=C\c1ccccc1 32581087 UEAHJGPBAAFFJT-WEKHIVAVSA-N 342.826 4.233 50 40 EIGB O=C(Nc1cc(Cl)ccc1Cl)[C@H](Cl)C(=O)c1ccccc1 3267335 YGELDXVZXKKZOT-CYBMUJFWSA-N 342.609 4.422 50 40 EIGB N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)C12CC3CC(CC(C3)C1)C2 35942099 YDJPXUKPTNZQAR-QGMBQPNBSA-N 349.430 4.150 50 40 EIGB O=C(N/N=C/c1ccccc1F)c1cc2c(ccc3ccccc32)o1 368179 VFHJRRJULULMQH-WSDLNYQXSA-N 332.334 4.489 50 40 EIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(C)c(C)c1 5618009 VBZPFZHGPPCJOQ-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB O=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 5943735 LPNNKIADMGIUES-LSCVHKIXSA-N 327.598 4.411 50 40 EIGB O=c1c(O)c(-c2ccc(F)cc2)oc2ccc(CBr)cc12 26421251 ACKJNRSKPPPRJW-UHFFFAOYSA-N 349.155 4.200 50 40 EIGB C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(C)C 44061056 YDPDQXPHZFZXRS-XDHOZWIPSA-N 340.452 4.157 50 40 EIGB Cc1ccc2[nH]c(/C(C#N)=C\c3cccn3-c3ccc(O)cc3)nc2c1 4535334 NMBMSJYHOYWSOH-QINSGFPZSA-N 340.386 4.432 50 40 EIGB CC1=CC[C@@H](/C=N/NC(=O)COc2ccc(Cl)cc2Cl)CC1 5296485 UBZWZAOLXCPSIH-DKSCHZSNSA-N 341.238 4.221 50 40 EIGB COc1ccc(CC(=O)NN=C2CCC(c3ccccc3)CC2)cc1 6170414 YLUAZGVPONYCHD-UHFFFAOYSA-N 336.435 4.068 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)cc1F)c1ccc([N+](=O)[O-])cc1 6970374 YGSYAZMCMWNMOA-WJDWOHSUSA-N 337.354 4.398 50 40 EIGB N#C/C(=C/c1cccn1-c1ccc(F)cc1)c1ccc(C(=O)O)cc1 107714764 MIECVZSKRNEOPM-VBKFSLOCSA-N 332.334 4.379 50 40 EIGB COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc12 408856190 JLAHWEGLXGKFKW-XKZIYDEJSA-N 344.370 4.359 50 40 EIGB Cn1c(/C(C#N)=C/c2ccccc2Br)nc2ccccc21 3899789 GUSBTSPBNPQXOC-JLHYYAGUSA-N 338.208 4.400 50 40 EIGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C(\C)c1ccc(F)cc1 15930540 QYIPRQACQDZACR-QQZPLFJDSA-N 347.821 4.210 50 40 EIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccccc2Cl)c1 59473087 XHISKLHXACLPBJ-KEBDBYFISA-N 346.883 4.340 50 40 EIGB CC(C)n1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)c2ccccc21 409153598 MENCXWPFOIZNJD-QPNANDPSSA-N 349.434 4.140 50 40 EIGB O=C1C(Cl)=C(Cl)C(Cl)(Cl)[C@@H](Cl)C1(Cl)Cl 73295568 RYTIMFVQZPTFSL-SCSAIBSYSA-N 337.244 4.214 50 40 EIGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc1 478804 VGWSRUQYQNZJMC-HZHRSRAPSA-N 344.414 4.338 50 40 EIGB Cc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1 33580806 HKAHUCXOQGXNJZ-KQWNVCNZSA-N 328.415 4.277 50 40 EIGB CC(C)(C)[Si](C)(C)OCc1ccc(C2(C(F)(F)F)NN2)cc1 196181266 RLGVOLTVADNIAS-UHFFFAOYSA-N 332.442 4.031 50 40 EIGB in-vitro O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1cccc(Cl)c1 159101 DMKSPLXGFHSMCF-IBGZPJMESA-N 342.762 4.345 50 40 EIGB COc1ccc(-n2cccc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 3909200 KMHYMXPMEHGEHC-FYWRMAATSA-N 340.386 4.426 50 40 EIGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(C)cc2s1 20132547 FLBBQEILFSZVSI-SECBINFHSA-N 327.247 4.107 50 40 EIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccc(Cl)c1 498132 PLWPQRDCURVDQP-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB CC(C)n1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 563841 LYQPRPOEUGDKMA-RVDMUPIBSA-N 345.402 4.473 50 40 EIGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cccc(F)c2)cc1 4646934 XOLVSKWHCGATKN-ICXVXVOZSA-N 338.426 4.377 50 40 EIGB N#CC(=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c1ccccc1 5734750 CAIPJWCAKXRAFR-UHFFFAOYSA-N 326.355 4.303 50 40 EIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 15134489 MTCIIUCKROEZBG-BJOOFOGMSA-N 348.837 4.180 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc3ccccc3[nH]2)c1 18192462 YSIFIRFGHXGHFM-RVDMUPIBSA-N 331.375 4.112 50 40 EIGB O=C(CCCl)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 95946146 GGCCVQCJUGGIAU-AWEZNQCLSA-N 337.206 4.240 50 40 EIGB CCC/C(=N/NC(=O)c1cc(C)nc2ccccc12)c1ccccc1 4879600 JFMUGELIOJDOMW-NMWGTECJSA-N 331.419 4.477 50 40 EIGB Cc1cc2nc3c(nc2cc1C)[C@@H]1C[C@H](Br)CC[C@@H]1N3 6281618 CEBATRSHQHHJHR-UTUOFQBUSA-N 332.245 4.072 50 40 EIGB CC(C)(C)OC(=O)n1ccc2cccc(C(=O)CBr)c21 89209151 ASKIQZVKCHZHMN-UHFFFAOYSA-N 338.201 4.002 50 40 EIGB CCN(CC)c1ccc(C(=O)N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)cc1 103310867 YVTGURKUCQSRPW-FWVVFLIFSA-N 339.483 4.241 50 40 EIGB COc1cc(/C=C/C(C)=C/C=C/C(C)=C/C=O)cc(OC)c1OC 253387370 RJZYQSMWCGDUHV-DAWLFQHYSA-N 328.408 4.373 50 40 EIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccs2)c1C 408591901 WBLXQURCKUMBKB-UDWIEESQSA-N 337.448 4.228 50 40 EIGB CC/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(OC(F)F)cc1 6377843 QJUJISLDUATDJC-HMMYKYKNSA-N 336.338 4.042 50 40 EIGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccccc1 33422917 VUBAWHXFHPFKSP-STZFKDTASA-N 344.842 4.212 50 40 EIGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(Cl)cc1Cl 100404433 BXDUFOVLBLHOAX-BMPAJCPHSA-N 325.239 4.270 50 40 EIGB N#C/C(=C/c1ccc(O)cc1)c1ccc(I)cc1 409373634 YBCWVROKYYJJCJ-LCYFTJDESA-N 347.155 4.061 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc3c(s2)CCCC3)cc1OC 5445826 CQIFHVOKXNVZLQ-UKTHLTGXSA-N 326.421 4.103 50 40 EIGB Cn1c(/C(C#N)=C\c2ccc(Br)cc2)nc2ccccc21 5571511 RPRRVGMEMSMBTH-RAXLEYEMSA-N 338.208 4.400 50 40 EIGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(OC)c1O 32119715 PVDMSKVUICNMPI-GHXNOFRVSA-N 338.388 4.083 50 40 EIGB biogenic,in-vitro CCCCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 100070816 HDEBCDIRXKZYJG-GOEBONIOSA-O 334.908 4.058 50 40 EIGB CC1=C(C#N)C(O)=NC(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 105964725 ILNBJEQZZYMFQI-RIYZIHGNSA-N 338.750 4.320 50 40 EIGB C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc(Cl)cc1 408781388 RVTJAPUEHSZLIK-XSFVSMFZSA-N 346.883 4.422 50 40 EIGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H](C)CC 408801953 WZQYGWVMOVNONO-XOAFGZPJSA-N 336.435 4.450 50 40 EIGB COc1ccc(C(F)(F)F)cc1C(=O)CCCCBr 575360114 DUBRZLCECYFTQH-UHFFFAOYSA-N 339.151 4.462 50 40 EIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccccc2Cl)o1 546587 OUUWIWBZIMTHDK-FYJGNVAPSA-N 338.794 4.293 50 40 EIGB Cc1cc(C)cc(-c2cc(NC(=O)CCl)n(-c3ccccc3)n2)c1 2641094 IMQURDZVJPQEQL-UHFFFAOYSA-N 339.826 4.333 50 40 EIGB COc1ccc(/C=C(/C#N)c2nc3c(s2)CCCC3)cc1OC 12062437 CQIFHVOKXNVZLQ-LCYFTJDESA-N 326.421 4.103 50 40 EIGB C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccc(C)c(C)c1 17068321 BOPIODJUMUUNAW-PXLXIMEGSA-N 332.403 4.316 50 40 EIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1Cl 408883625 UEOIYQSAQQIHCY-MDWZMJQESA-N 341.754 4.102 50 40 EIGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccccc1Cl 366222 WUNCJECIDUJETI-SRZZPIQSSA-N 337.810 4.269 50 40 EIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 512144 QSPAZZFZLHJTOI-LPYMAVHISA-N 336.366 4.087 50 40 EIGB O=S(=O)(CCl)Nc1cc(Cl)ccc1Oc1ccccc1 213955679 BFELGEGNNQWSTI-UHFFFAOYSA-N 332.208 4.070 50 40 EIGB Cc1cc2nc(/C(C#N)=C\c3ccc(N4CCCC4)o3)[nH]c2cc1C 408853590 QAQOWQQQEQPVOA-PTNGSMBKSA-N 332.407 4.437 50 40 EIGB N#CC1=C(SCCc2ccccc2)NC(=O)C[C@H]1c1cccs1 409137866 WYXVUYWEOMBHFC-CQSZACIVSA-N 340.473 4.063 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1OCC 409366850 ZMHZVTYHFKLMAT-SXGWCWSVSA-N 337.375 4.277 50 40 EIGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccco1 233795 HCOOLGSUSOMXLL-CIAFOILYSA-N 348.427 4.233 50 40 EIGB CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 20194539 DGDAJZPJZCIZHZ-OEAKJJBVSA-N 347.462 4.279 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)cc1 59335557 GKYGQLKTLHKTLB-VBKFSLOCSA-N 340.386 4.019 50 40 EIGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1O 408568671 VYWXLZZTAOFSNU-WMZJFQQLSA-N 343.745 4.134 50 40 EIGB COc1ccc2c(c1)c(C(=O)CCl)c(C)n2Cc1ccccc1 552650 CEBCGMOTVYKXJV-UHFFFAOYSA-N 327.811 4.428 50 40 EIGB Cc1cc(N(CCCl)CCCl)ccc1/C=C\c1ccncn1 4821850 IJEHJXXZWJAKAU-RQOWECAXSA-N 336.266 4.239 50 40 EIGB O=C(Cc1cccc2ccccc12)N/N=C1/CCCc2ccccc21 486754 IUVYAJOFMODWQI-LNVKXUELSA-N 328.415 4.239 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C)cc1 408719975 QNUTWCOFNOIGCQ-MURKYSCBSA-N 326.465 4.157 50 40 EIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1 4778765 UJSTWAMBOPILKA-QQMBKKGGSA-N 336.435 4.394 50 40 EIGB CCCCOc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1 408888299 YSSRJRAXXBHQPD-DEDYPNTBSA-N 330.815 4.283 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc2ccccc2cc1O 210797 HSZXYYSYEAXVOX-WSDLNYQXSA-N 343.386 4.099 50 40 EIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2Cl)c1C 3218899 WCAYSNWNCPNONV-XNTDXEJSSA-N 328.799 4.218 50 40 EIGB C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@H]1C[C@H]2CC[C@H]1C2 106272319 DRNISQFRIZSJKT-YNUUKBBUSA-N 348.874 4.344 50 40 EIGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 408945287 NVDXFPGDHPZFKK-DTHVTWRFSA-N 336.391 4.374 50 40 EIGB Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(N3CCCC3)cc2)c1 408959567 BBOCTLLXEQBPKM-STZFKDTASA-N 336.439 4.059 50 40 EIGB CCc1ccc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 1320204 BGKNEBCSDUHCLL-CAUNFOBBSA-N 338.451 4.292 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 15219374 MTBREULLWVPONS-JXAWBTAJSA-N 333.435 4.387 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 16227872 XYMPCHMIHLISDW-NTCAYCPXSA-N 344.370 4.100 50 40 EIGB N#C/C(=C/c1cccc2c1OCO2)C(=O)Nc1cccc2ccccc12 97147261 LGHLTKOWEXPUQS-WJDWOHSUSA-N 342.354 4.114 50 40 EIGB C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@H]1C[C@@H]2CC[C@@H]1C2 108613563 DRNISQFRIZSJKT-YKWLPIGZSA-N 348.874 4.344 50 40 EIGB Cc1cc(C)c2oc(-c3cccc(NC(=O)CSC#N)c3)nc2c1 216857678 WXVRVNNIDGZOOR-UHFFFAOYSA-N 337.404 4.264 50 40 EIGB N#C/C(=C\c1ccsc1Br)C(=O)OCc1ccccc1 5731429 ROTOTCRFNISUNK-MDWZMJQESA-N 348.221 4.161 50 40 EIGB C[C@@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)ccc2O1 10298859 MBDICUZXKRTTTD-DYTQJMLRSA-N 338.794 4.209 50 40 EIGB CC1(C)[C@H]2CC[C@]1(C)C(=O)O[C@H]2[C@H](Br)c1ccccc1 245240646 QYWCYKSLJQCHDH-ZOMKSWQUSA-N 337.257 4.491 50 40 EIGB N#CC1=C(SCc2ccccc2F)NC(=O)C[C@H]1c1cccs1 409133836 NKBDPXBNQMYUDU-GFCCVEGCSA-N 344.436 4.159 50 40 EIGB N#C/C(=C/c1ccc(I)cc1)c1cccc(F)c1 409390569 FWTIESXAIVGLFO-JYRVWZFOSA-N 349.146 4.494 50 40 EIGB CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(C)cc3)[nH]n2)cc1 4981420 JIKCIAAMDUBZRX-JCMHNJIXSA-N 346.434 4.102 50 40 EIGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 5288069 TYHRQNGGRXQINX-HAVVHWLPSA-N 328.415 4.359 50 40 EIGB COCCn1c(C)cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c1C 9263440 SYORHWKDQIJYNK-GZTJUZNOSA-N 334.423 4.000 50 40 EIGB COc1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408541505 GMXZNXFDAXODHH-LGMDPLHJSA-N 344.370 4.248 50 40 EIGB C=CCn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21 408856867 LSYDSIKPIKZZRB-XKZIYDEJSA-N 343.386 4.337 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2CC)c1 408935114 GTHFYPDJQVENDU-AQTBWJFISA-N 332.403 4.359 50 40 EIGB CC(C)Oc1ccc([C@@H](CCNC(=O)CCl)c2ccccc2)cc1 4029751 QAGQEVJRSNFAMU-IBGZPJMESA-N 345.870 4.351 50 40 EIGB biogenic CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846209 WGYQIDDSNVTPEE-HXUWFJFHSA-N 349.434 4.056 50 40 EIGB C/C=C1/C[N+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 12660428 LQDGJFHWZHMWLV-GTWZURTLSA-O 349.498 4.172 50 40 EIGB Cn1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 40570811 MBYGMXLGCLAJAK-LPYMAVHISA-N 333.435 4.240 50 40 EIGB N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)C(=O)Nc1ccccc1 409008639 ZECLWJTXLJQCEA-FOWTUZBSSA-N 339.354 4.364 50 40 EIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc(Cl)c3)cc2c1 1008024 XWRSELVRKJHFDM-SRZZPIQSSA-N 337.810 4.269 50 40 EIGB O=P(OCCCCl)(OCCCCl)OCCCCl 2013004 WOURXYYHORRGQO-UHFFFAOYSA-N 327.572 4.031 50 40 EIGB in-vitro N#C/C(=C\Nc1ccc(Br)cc1)c1nc2ccccc2[nH]1 3035185 DDLBBHWSUQVAEX-ZHACJKMWSA-N 339.196 4.302 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c(F)c1 409108171 SDDUDFWPOIRSMO-ATVHPVEESA-N 349.409 4.280 50 40 EIGB CCCCOc1ccc(/C=N/NC(=O)c2cccs2)cc1OCC 2758426 URQFKVKFALMJHC-CPNJWEJPSA-N 346.452 4.090 50 40 EIGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409135104 UJWNGOVXLFHICB-NPQOUYBPSA-N 342.464 4.025 50 40 EIGB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CCl)cc1 91489 SLTNMBQQKLSFSL-UHFFFAOYSA-N 327.767 4.150 50 40 EIGB N#C/C(=C\c1ccccc1O)C(=O)Nc1cc(Cl)ccc1Cl 141783 BMSWISUYMAAGTL-YRNVUSSQSA-N 333.174 4.245 50 40 EIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cccc(Cl)c1 564013 QHSXGBNXMDIJBS-FYJGNVAPSA-N 341.842 4.013 50 40 EIGB N#C/C(=C\c1ccsc1)C(=O)Nc1sc2c(c1C#N)CCCC2 33431164 ONTZHEHELYVEAV-KPKJPENVSA-N 339.445 4.106 50 40 EIGB O=C(CCCCBr)c1ccc(Br)cc1F 308801754 LPPJLNBWWGYJOF-UHFFFAOYSA-N 338.014 4.336 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc(Cl)cc1 408782631 XWLUKHGMEOKXAQ-HCZVKUGISA-N 332.856 4.361 50 40 EIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2sccc2C)cc1 1320053 DEQFHWYVTMKFGF-MDBUFAAASA-N 330.453 4.099 50 40 EIGB CCOC(=O)c1c(NC(=O)CCl)sc(C)c1-c1ccccc1 1906287 ALHWXAWJGCTFJV-UHFFFAOYSA-N 337.828 4.078 50 40 EIGB CCCCCn1nc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1C 3202344 GNBKVAYERFGPBD-UDWIEESQSA-N 346.862 4.107 50 40 EIGB CNc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 22958534 FZXVQQBPZVBNPE-IZZDOVSWSA-N 348.284 4.114 50 40 EIGB CCN(CC)c1ccc(C(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc1 33541255 CTOUVWSEDRSQKD-OVFHLDOESA-N 329.488 4.465 50 40 EIGB CCCCCCCCCC[N+](C)(C)CCOCCOCCCl 100925829 RJDWAMQPVSHHCD-UHFFFAOYSA-N 336.968 4.476 50 40 EIGB Cc1c(C(=O)NNC(=O)CCCC2CCCCC2)oc2ccccc12 6929254 DVYZJSDBWYFXFC-UHFFFAOYSA-N 342.439 4.253 50 40 EIGB CC(/C=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)=C\c1ccccc1 33285909 GHSIJPUHTAUSGJ-BDGXDWLASA-N 348.381 4.035 50 40 EIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408815473 QIWLPIQTHCWHKB-SFQUDFHCSA-N 348.402 4.114 50 40 EIGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 409006228 IEPBRDXUILSPBV-NTUHNPAUSA-N 348.233 4.054 50 40 EIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 3616502 OALYBHSXBXKRNJ-GXDHUFHOSA-N 326.783 4.284 50 40 EIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NC1CC1 409202378 RRTGXZBGPWOLOL-JXMROGBWSA-N 347.201 4.439 50 40 EIGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1O 409392137 LJKCXARPSBMCOV-XGICHPGQSA-N 348.171 4.367 50 40 EIGB C/C(=N\NC(=O)c1sccc1-n1cccc1)c1ccc(Cl)cc1 5620997 MSGLCKZKEDQMBB-XDHOZWIPSA-N 343.839 4.346 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cn1 261473 BMWCIAWIFWKGHQ-ZVHZXABRSA-N 339.398 4.460 50 40 EIGB O=CC(I)=C(c1ccccc1)c1ccccc1 1857176 DZUISQZSGFOYEP-UHFFFAOYSA-N 334.156 4.080 50 40 EIGB COc1ccc(NC(=O)[C@H](Sc2ccccc2)[C@H](C)Cl)cc1 4843865 XCJAXCVCSNMOHY-BLLLJJGKSA-N 335.856 4.422 50 40 EIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 343137 IWHDOGAPNLFACH-GIJQJNRQSA-N 339.247 4.236 50 40 EIGB Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCCC3)cc12 411667 BLSSRVDNSMNBMQ-UHFFFAOYSA-N 338.436 4.055 50 40 EIGB N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@H]1c1ccc(Cl)cc1 481850 JEFOYGBEIOFYCI-SFHVURJKSA-N 348.789 4.417 50 40 EIGB O=C(C[C@H](c1ccccc1)[C@H](Br)[N+](=O)[O-])c1ccccc1 1664811 CRXLMPNUYVJICQ-GDBMZVCRSA-N 348.196 4.041 50 40 EIGB C[C@H]1CCC/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)C1 4499105 OHINBUMHDDOGKO-QCQOHNBASA-N 329.227 4.055 50 40 EIGB O=C(N/N=C/C(Cl)=C\c1ccccc1)c1ccccc1-n1cccc1 13208642 PUADAPWQYDMJDI-RTMICUHXSA-N 349.821 4.473 50 40 EIGB FC(F)(F)[C@@H](Br)COc1ccc(Br)cc1 82863576 YAPIBDXMOPUMKI-QMMMGPOBSA-N 347.956 4.154 50 40 EIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Cl)cc1 352904 RQPAKSUOYZYHNW-CIAFOILYSA-N 338.794 4.266 50 40 EIGB CCOC(=O)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 5198720 UPIPDRLDUWZTNB-OCKHKDLRSA-N 326.274 4.045 50 40 EIGB Cn1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 12741943 XTTLYMPMFKOZAT-ONNFQVAWSA-N 334.326 4.113 50 40 EIGB CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C1\CCCC[C@@H]1C 12999441 PMKUZKGORSUFBG-XDDPRGGJSA-N 344.484 4.116 50 40 EIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(Br)cc2)C1 13477443 GNGSMHQHMMGKEZ-XZKWLNOSSA-N 347.256 4.467 50 40 EIGB Cc1cc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c(C)o1 5785048 LGMXHOBKIOCNOU-UHFFFAOYSA-N 346.430 4.468 50 40 EIGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)cc1OC 408582410 NXTHBIQKGPQZBZ-AWNIVKPZSA-N 345.782 4.136 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)CSCc1ccccc1C 408767819 PDPBHXOWZYMLGS-HEHNFIMWSA-N 340.492 4.353 50 40 EIGB N#C/C(=C/c1cccc(F)c1)C(=O)Nc1ccc(Br)cc1 4723138 HOWDGQYFVDTHDB-WQLSENKSSA-N 345.171 4.134 50 40 EIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 5678064 WSYSUWQGXUJFFW-UKTHLTGXSA-N 341.754 4.102 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Br)c1 215797269 MYWOMMDGVIBTDN-ZROIWOOFSA-N 341.208 4.303 50 40 EIGB Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 143627 SXJBCGWDRVUTRR-YLJYHZDGSA-N 342.446 4.206 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1c(O)ccc2ccccc12 59474979 NSJPUIDIKTULGR-VBKFSLOCSA-N 328.371 4.400 50 40 EIGB N#CC(C#N)=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 135416 XIMSCYRWJXYCRN-UHFFFAOYSA-N 339.738 4.258 50 40 EIGB O=C(Cc1cccc2ccccc12)N/N=C1\CCCc2ccccc21 486753 IUVYAJOFMODWQI-XTQSDGFTSA-N 328.415 4.239 50 40 EIGB CCCOc1c(Br)cc(C=C(C#N)C#N)cc1OCC 7351418 FWFZOEQJIHWCOC-UHFFFAOYSA-N 335.201 4.067 50 40 EIGB C#CCOc1c(Cl)cc(/C=C(\C#N)c2nc(C)cs2)cc1OC 8079673 VAJJYWHJHVZGIN-AWNIVKPZSA-N 344.823 4.190 50 40 EIGB CCc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@@H]32)cc1 5489514 OTQGRWKTNXXLPH-VHFSOBRXSA-N 342.446 4.089 50 40 EIGB O=C(N/N=C/c1ccccc1Cl)c1cccc(C(F)(F)F)c1 59921296 DMMQQXKAKIRALY-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB CC1=C(NCC2=C(O)CCCC2)N[C@@H](Br)c2ccccc21 101653340 WJYJOLFNVLGZSB-MRXNPFEDSA-N 349.272 4.348 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c(C)c1 408774948 YZQAUDVCBRGOBB-ODLFYWEKSA-N 335.451 4.143 50 40 EIGB COc1ccc(CCCC(=O)N/N=C/C=C/c2ccccc2)c(C)c1 408909131 GMZQQTNZKOTZLT-AWFLEDEYSA-N 336.435 4.142 50 40 EIGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccco1 409013229 MMXQVTGIWCEEIA-STZFKDTASA-N 336.391 4.376 50 40 EIGB Cn1ccnc1S/C(=C\C=C(C#N)C#N)c1ccc(Cl)cc1 12366782 GFKVMAYZHSCZEZ-CHHVJCJISA-N 326.812 4.180 50 40 EIGB CCCCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1 40865518 RVCRHJMTCWXERM-VKAVYKQESA-N 326.440 4.221 50 40 EIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2sccc2C)c1 58915595 BUJCJXOAGKNQQG-GIJQJNRQSA-N 332.494 4.057 50 40 EIGB N#C/C(=C/c1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 107696144 LBPBDUVRLVRUOR-YFHOEESVSA-N 335.182 4.483 50 40 EIGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1 408603548 RRFNPDLCZKYSOA-HMHKGCENSA-N 330.815 4.281 50 40 EIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1 408808160 FHPIOTIHAHJVSQ-ANFUATRZSA-N 326.440 4.076 50 40 EIGB COc1ccc(/C=C/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 409238895 MAOLHYISDWBKJA-INQAZAOFSA-N 332.403 4.036 50 40 EIGB C[C@@H]1CCC/C(=N\NC(=O)COc2ccccc2-c2ccccc2)C1 5164322 ISLIKUXABFNZFI-XEFZIOHMSA-N 336.435 4.415 50 40 EIGB COC(=O)CCCCCCCCCCI 5510774 BVPACBLWIHBMNE-UHFFFAOYSA-N 326.218 4.105 50 40 EIGB C[C@H]1CCC/C(=N\NC(=O)CSc2nc3ccccc3s2)C1 34913521 LANVBLIQYVMIPA-MSXRGENMSA-N 333.482 4.071 50 40 EIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)n1 408975993 DLFWGTNRWKSVNF-XDHOZWIPSA-N 344.418 4.155 50 40 EIGB CCn1c(C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C 409018874 XJNPIVJLPNAKBS-JMIUGGIZSA-N 343.814 4.288 50 40 EIGB Cc1sc2nc(C(Cl)Cl)[nH]c(=O)c2c1-c1ccccc1 387997 DAHZJGSEVYGJKG-UHFFFAOYSA-N 325.220 4.436 50 40 EIGB O=C(NN=C1CCCCC1)c1ccccc1OCc1ccc(F)cc1 4964662 CFZMVHVAHQAPIB-UHFFFAOYSA-N 340.398 4.455 50 40 EIGB CC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(C)cc2s1 20132237 ZZMIENADWMJPIH-ZETCQYMHSA-N 347.665 4.370 50 40 EIGB CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])c1C 33463181 CKKOJPONFNNLCC-WJDWOHSUSA-N 337.379 4.213 50 40 EIGB O[C@@H]1Cc2ccccc2/C(=C/CCBr)c2ccccc21 38483381 KNGHLHQCMDBTQE-QWSHFYNQSA-N 329.237 4.493 50 40 EIGB in-vitro Cc1csc(/C(C#N)=C\c2cc(Br)c3c(c2)OCO3)n1 96843838 FVWZLAPPKPUAPV-SGAXSIHGSA-N 349.209 4.007 50 40 EIGB N#CSCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 216860690 OKFRVHKXNYDGTL-UHFFFAOYSA-N 343.795 4.301 50 40 EIGB CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408545075 YYEUOBYRAVDPNZ-YVLHZVERSA-N 334.375 4.054 50 40 EIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408879773 FKTRZRHKVOQAKW-GXDHUFHOSA-N 326.783 4.284 50 40 EIGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1 2669869 BNZKSDCMCXUPBH-NBVRZTHBSA-N 348.402 4.189 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2769331 YHDWIXABXORDPD-AWZALFRUSA-N 347.462 4.317 50 40 EIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 6947547 KTWONUIHLGZFIT-VKAVYKQESA-N 348.402 4.196 50 40 EIGB CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)c2ccccn2)cs1 7155371 QFFQOUODEOULEW-RVDMUPIBSA-N 346.415 4.287 50 40 EIGB C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2[nH]1 41977525 JHRMCEPUPCXOPS-STQMWFEESA-N 349.525 4.454 50 40 EIGB biogenic COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1 408818414 XXACNCHKAOODEJ-XYOKQWHBSA-N 330.746 4.033 50 40 EIGB O=c1ccc2ccc(OCCCCCl)cc2n1CCCCCl 536952149 KKBIONMUIMPJFQ-UHFFFAOYSA-N 342.266 4.418 50 40 EIGB N#CSc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1N 32224795 SYIWKADWQXMMQP-UHFFFAOYSA-N 326.812 4.348 50 40 EIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1ccccc1F 33518300 WXZJYQWDKTZBAN-QINSGFPZSA-N 332.334 4.379 50 40 EIGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C 59334466 HVTYHJXAOMWOCD-YBEGLDIGSA-N 341.842 4.051 50 40 EIGB CCCC/C(=N\NC(=O)c1ccc(Br)o1)c1ccccc1 4646974 VVIKTPANZQLQPG-QGOAFFKASA-N 349.228 4.366 50 40 EIGB CC(=O)Oc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 33864124 QITOPXGZFSNAPH-MHWRWJLKSA-N 331.375 4.169 50 40 EIGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccncc1 408542019 JCPIKTQNFDTMIR-UNOMPAQXSA-N 343.386 4.252 50 40 EIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 566120 NCXDTSYWWMBYHB-UFFVCSGVSA-N 332.281 4.216 50 40 EIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 3371841 DUXAANKSDNIGFZ-SSDVNMTOSA-N 343.308 4.018 50 40 EIGB N#C/C(=C/c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 33347177 HBUCEYVWGLDNCE-LCYFTJDESA-N 329.153 4.421 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 229527 XEIOUPOEJRQJJF-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB CCOc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 936814 AORSHJRRRHLOQC-GZTJUZNOSA-N 347.823 4.077 50 40 EIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 7164429 GJPJRMYMTWBORA-QGOAFFKASA-N 332.403 4.414 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)cc(Cl)c1O 13062847 IHPXYYCSGWQKOY-NTUHNPAUSA-N 327.767 4.153 50 40 EIGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccc(Cl)c1 366270 YUFBIYDFJUMGIK-SRZZPIQSSA-N 337.810 4.269 50 40 EIGB CC(C)=NNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 500552 JYCCMINZXREHCH-UHFFFAOYSA-N 332.488 4.432 50 40 EIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/C=C/c2ccccc2)c1C 1465933 WWMMODKTNBMJHZ-OENGIGCFSA-N 348.402 4.154 50 40 EIGB Cc1cccc(-n2cccc2/C=N/NC(=O)c2ccc(Cl)cc2)c1 6967864 MWWQUNFENOGSIH-FYJGNVAPSA-N 337.810 4.203 50 40 EIGB CCc1ccc(CC(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1 409363643 LPVNZKYZWUUWFS-HZHRSRAPSA-N 346.430 4.104 50 40 EIGB COc1ccc(/C(C)=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 33135 BFEHAVQVAAZOHF-GRSHGNNSSA-N 337.206 4.156 50 40 EIGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cccc(O)c3)sc2c1 484346 PSVJXCPLQPUQOL-DJKKODMXSA-N 344.823 4.333 50 40 EIGB CCc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 20133408 CKAHEIPFDAMNTG-GFCCVEGCSA-N 341.274 4.217 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)cc1 59137991 CDHOXIBJFLVXDG-DTQAZKPQSA-N 335.407 4.124 50 40 EIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 100251766 HOJLQUZVRZMINR-DYHJMRMTSA-N 347.418 4.095 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 140290 LNGRWSDEMCZPOV-NTEUORMPSA-N 326.783 4.203 50 40 EIGB O=S(=O)(c1ccc(Cl)cc1)[C@H]1Cc2ccccc2[C@@H]1Cl 339655 YCZNBDLLYANJHE-GJZGRUSLSA-N 327.232 4.019 50 40 EIGB O=C(CBr)c1c(C(F)(F)F)cccc1C(F)(F)F 2525212 IBTFDDRKECYJAY-UHFFFAOYSA-N 335.041 4.302 50 40 EIGB O=[N+]([O-])c1ccc(S[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2Cl)c([N+](=O)[O-])c1 5427666 DLPPCOIUXKIEMT-WAYYCVMKSA-N 340.788 4.167 50 40 EIGB O=C(Nc1cccc([N+](=O)[O-])c1)NN(c1ccccc1)c1ccccc1 16500250 DTYSNOMFKUKYGQ-UHFFFAOYSA-N 348.362 4.470 50 40 EIGB O=C(N/N=C\c1ccccc1F)C(c1ccccc1)c1ccccc1 33593148 XNXAZYJWQLXZOW-HAHDFKILSA-N 332.378 4.108 50 40 EIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Br)o2)c1 59198822 FERHDVMNZUCHLC-XYOKQWHBSA-N 345.196 4.205 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(C)cc1 409126370 BQTCTJPDGPSADN-WLVMFVESSA-N 326.465 4.324 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 1450955 LPKCDLUPUNTLDU-PIOYSLCCSA-N 325.239 4.036 50 40 EIGB CC(C)/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1 12401181 XNFSXAFDTBCCQA-KNTRCKAVSA-N 345.240 4.239 50 40 EIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 1319269 MZVDUOSIZWTKRS-STCDJXRXSA-N 344.842 4.383 50 40 EIGB Cc1ccccc1CSCC(=O)C(C#N)=C1Nc2ccccc2N1 4797093 NZNODFBCKYFZGH-UHFFFAOYSA-N 335.432 4.070 50 40 EIGB CC(C)c1cc(Br)cc2sc(NC(=O)CCl)nc12 20131801 CRYCRPWEYHNQLW-UHFFFAOYSA-N 347.665 4.360 50 40 EIGB CCc1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 20133405 CKAHEIPFDAMNTG-LBPRGKRZSA-N 341.274 4.217 50 40 EIGB N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1 57414017 DUMLBQASGSIPMX-ZHACJKMWSA-N 332.190 4.451 50 40 EIGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 59432867 LBXYFLLNTLXMKY-NTEUORMPSA-N 326.783 4.203 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)CCSc2ccccc2)cc1 59473579 HTDJECLOQBLJNO-HMMYKYKNSA-N 342.464 4.108 50 40 EIGB O=[N+]([O-])c1ccc2nc(-c3ccc(CBr)cc3)oc2c1 73642020 JYVZWVAYJAEMTK-UHFFFAOYSA-N 333.141 4.298 50 40 EIGB CCO[Si](CCCCCCO[C@@H]1CCCCO1)(OCC)OCC 575182254 OXMQVUBHMIXKII-KRWDZBQOSA-N 348.556 4.138 50 40 EIGB C[C@H]1CCCCCCCCCC/C1=N\NC(=O)CC1(C)OCCO1 13774143 YBWFCJAVYGZCAH-TXCMAPRMSA-N 338.492 4.162 50 40 EIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)c(O)c1 408598432 AGVVRRHJPALOSO-LPYMAVHISA-N 348.402 4.097 50 40 EIGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccs1 46113 MTVQBEPICZQNNY-DEDYPNTBSA-N 336.416 4.091 50 40 EIGB CN1/C(=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc21 5976759 XHNQJAVERGEIFN-CAPFRKAQSA-N 331.419 4.464 50 40 EIGB COc1cccc2cc(C(=O)N/N=C/c3cccc4ccccc34)oc12 8169033 ULJVHIPRWGIYQA-LPYMAVHISA-N 344.370 4.359 50 40 EIGB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)C(Cl)Cl 101623101 PADJMIHXNHTPTJ-UHFFFAOYSA-N 348.189 4.146 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1C1CCCC1 408778383 SUJJSTMZKREYNZ-MOSHPQCFSA-N 347.462 4.443 50 40 EIGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)Nc1ccccc1 357835 XXFVPVUTGCUFFU-PXLXIMEGSA-N 345.402 4.421 50 40 EIGB O=C(NN=C1c2ccccc2-c2ccccc21)c1c[nH]c2ccccc12 502105 HIDSCGDTVIQTJN-UHFFFAOYSA-N 337.382 4.331 50 40 EIGB Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(Cl)cc32)c(C)c1 48987408 BFJMZPARCOQMTP-UHFFFAOYSA-N 344.823 4.247 50 40 EIGB N#C/C(=C/c1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1 4813026 YYRCKGYNMUIIIR-XFFZJAGNSA-N 342.185 4.294 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1 5475312 PKUVNUWCEUSDBC-XQNSMLJCSA-N 346.430 4.321 50 40 EIGB O=C(CBr)Nc1cccc(OCCCc2ccccc2)c1 35605152 BTFYBUZELFSPNQ-UHFFFAOYSA-N 348.240 4.032 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1cccc2ccccc12 10843249 QTHDQGGKHGXOLR-OEAKJJBVSA-N 341.414 4.322 50 40 EIGB COC(=O)c1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1 20895313 QVPZBAFFQDXPFG-AWEZNQCLSA-N 339.482 4.126 50 40 EIGB biogenic CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)[nH]c2c(OC)cccc12 58834280 QMMRPYBQVJBCCT-NTCAYCPXSA-N 346.386 4.314 50 40 EIGB C[C@@H]1C/C(=N\NC(=O)c2cc(Cl)nc(Cl)c2)CC(C)(C)C1 162951 FNISVFAAEGBPEJ-KRLZGKIESA-N 328.243 4.320 50 40 EIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(Cl)cc1Cl 239276 BXDUFOVLBLHOAX-FAXBYDIASA-N 325.239 4.270 50 40 EIGB N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)c1ccccc1 7058698 GXISNRIFFUVWQT-MDWZMJQESA-N 330.156 4.378 50 40 EIGB CC(=O)Nc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1 14862518 ZXUMCGYMUXNENR-UHFFFAOYSA-N 345.402 4.128 50 40 EIGB COc1cc([C@@H]2C(C#N)=C(SC)N=C3CCCC(O)=C32)ccc1O 101735561 MEYKSOIAIKVYAV-MRXNPFEDSA-N 342.420 4.033 50 40 EIGB COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1 408873449 RRKWRAPPCDVTIH-VGOFMYFVSA-N 326.783 4.203 50 40 EIGB COc1ccc(OC)c(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)c1 5447126 RQSXDLAVJLTQHG-ZMTLZGASSA-N 340.448 4.349 50 40 EIGB CC(C)c1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19805269 XDWWZPIRAZJHNT-QUCCMNQESA-N 342.446 4.404 50 40 EIGB O=C(N/N=C\c1cccc(OCc2ccccc2)c1)Nc1ccccc1 33307891 XXFVPVUTGCUFFU-JCMHNJIXSA-N 345.402 4.421 50 40 EIGB N#C/C=C/C(=C\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 100401377 XGEJXFWFMRFEBX-QCKOWFMMSA-N 344.823 4.147 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1Br 108503611 ADTZKLYJZUMWRA-UUVPFUHKSA-N 349.272 4.034 50 40 EIGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C 408782988 LQQNPACOWCBWCE-UYRXBGFRSA-N 335.451 4.178 50 40 EIGB CCc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 111918 OKLQBYPMGRHNFX-GZTJUZNOSA-N 331.824 4.241 50 40 EIGB CCCCN(CCCC)CCOCCO[C@H]1CCCC[C@@H]1Cl 5419536 JESCUVGPHHWHTP-ROUUACIJSA-N 333.944 4.472 50 40 EIGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1F 5781572 OKCGYKYWIOXZHJ-UHFFFAOYSA-N 346.405 4.397 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2)cc1 59484066 DHOUCKGTPCEAJT-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB C/C(=N\Nc1ccccc1)[C@H]1C[C@@H]2C=C(C#N)[C@@H]1N2Cc1ccccc1 104097308 XASIBZOKGXKXHB-JKTSYSCGSA-N 342.446 4.197 50 40 EIGB C=CCOc1c(Br)cc(/C=C/C#N)cc1Br 107942015 FPMYVBZGAFFTBF-ONEGZZNKSA-N 343.018 4.313 50 40 EIGB CCOC(=O)c1ccccc1[C@H](Cl)[C@H]1OC(=O)c2ccccc21 3845511 YNIRLIIKXDLPKT-HOTGVXAUSA-N 330.767 4.055 50 40 EIGB biogenic C[C@@H]1CC=C2[C@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 36046364 LTBLKVQJWVATAB-IAISJRAMSA-N 348.837 4.180 50 40 EIGB ClCCN(CCCl)c1ccc(/C=N\c2nccs2)cc1 104052285 DGLZYJICHBWVBB-WQRHYEAKSA-N 328.268 4.178 50 40 EIGB CC1=C2CC(=O)C=C2[C@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)C12CC2 196048881 YQSDGDYXPRGCRO-WMZOPIPTSA-N 334.532 4.137 50 40 EIGB in-vitro CC(C)(C)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 33692006 SCZVGMCSAMSQAC-PTNGSMBKSA-N 341.411 4.107 50 40 EIGB O=C1C(Cl)=C2Oc3ccc(Cl)cc3N=C2[C@@H](Cl)[C@H]1Cl 104811672 NPBQKLCVEDWXFQ-JGVFFNPUSA-N 336.989 4.053 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 408935930 IXHNJUFPFSSTJB-PTNGSMBKSA-N 338.794 4.450 50 40 EIGB O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(O)cc1 337595 LFNKVWBRYMEUFD-RGVLZGJSSA-N 340.766 4.070 50 40 EIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 2632462 CUYDTCQFRLGWQY-SDNWHVSQSA-N 326.783 4.284 50 40 EIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(Cl)cc1 31749731 ZTUAJYARNSCRID-XGGPLILHSA-N 344.201 4.051 50 40 EIGB COc1cc(/C=C(\C#N)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 408598449 ARDCXTYFGCCIIT-AWNIVKPZSA-N 344.754 4.330 50 40 EIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 408860398 UTNRXRRIKCNQCF-MDWZMJQESA-N 341.754 4.102 50 40 EIGB N#C/C(=C/C1[C@@H](Cl)CCC[C@H]1Cl)C1CCC([N+](=O)[O-])CC1 5328184 WRNXYQJMDGJCID-IEQVRCKOSA-N 331.243 4.287 50 40 EIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OC 6936619 SMGGEZVTISGSTL-DTQAZKPQSA-N 336.391 4.030 50 40 EIGB CC(C)Oc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(F)cc1 8812291 ZQCRKQSFSRSHQA-KEBDBYFISA-N 334.778 4.030 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1 16410903 IEWTUUSAXXMZGA-PUTQOBSOSA-N 326.440 4.077 50 40 EIGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1cc(C)ccc1C 408719931 PZMQYVIDDVCPHD-QFGIDJEJSA-N 340.492 4.466 50 40 EIGB CO[P@](=O)(C#Cc1ccccc1)[C@@](O)(CCl)c1ccccc1 528872 MUYMDAHYYSCLCL-HTAPYJJXSA-N 334.739 4.004 50 40 EIGB CC[C@H](Nc1ccc(F)cc1)C(=O)N/N=C\c1ccc(C(C)C)cc1 28640782 MHHJBIKWMFOURL-CVHFWEDTSA-N 341.430 4.290 50 40 EIGB COc1cc(Cl)c(/C=C(\C#N)c2ccc3c(c2)OCO3)cc1OC 409360176 DACOYILKBCWCDZ-WLRTZDKTSA-N 343.766 4.150 50 40 EIGB C/C(=N\NC(=O)NC1CCCCC1)c1ccccc1C(F)(F)F 12604498 QSQOUFCFJOXTPJ-SRZZPIQSSA-N 327.350 4.061 50 40 EIGB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C1\CCCC[C@@H]1C 12999449 PMKUZKGORSUFBG-AHZXORISSA-N 344.484 4.116 50 40 EIGB O=C(CSc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 59152698 QQHDLLUOZNWYPA-GIJQJNRQSA-N 339.247 4.236 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)c1 408726961 WMWKSXKWWKULKR-VBKFSLOCSA-N 328.371 4.400 50 40 EIGB CC/C(=N\NC(=O)c1ccncc1)c1ccc(-c2ccccc2)cc1 5295189 QRVWQDHMIKVEOO-BSYVCWPDSA-N 329.403 4.293 50 40 EIGB C#CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 6960521 SZHFDFNTFCXUAO-ATVHPVEESA-N 348.358 4.070 50 40 EIGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1O 4116354 YLMSMZPPBSMDLV-LFIBNONCSA-N 345.402 4.460 50 40 EIGB Nc1ncc2ccccc2c1-c1ccc(NC(=O)CCCl)cc1 31750067 YFPSWDVFUZAZRD-UHFFFAOYSA-N 325.799 4.051 50 40 EIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 33421927 APXWPBGKWHLMBU-GHXNOFRVSA-N 329.699 4.221 50 40 EIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cccs3)cc21 208201455 DWVNJIUYNRSYAR-RQZLXBNYSA-N 341.480 4.234 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1C 408735249 OYMAWRFIRRHBSK-RIYZIHGNSA-N 326.783 4.203 50 40 EIGB N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1cccs1 409131491 YBMAJRSKAKCWDB-ZDUSSCGKSA-N 326.446 4.020 50 40 EIGB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(SC#N)cc1 6556834 ZCUAPQBLVUMQCL-WOJGMQOQSA-N 348.431 4.287 50 40 EIGB CSC1=C(C#N)[C@@H]([C@H]2CC=CCC2)C2=C(CC(C)(C)CC2=O)N1 14671756 RQRXEIMIGGPHAM-BLLLJJGKSA-N 328.481 4.303 50 40 EIGB CCCCCCC/C(C)=N/NC(=O)c1ccc(NCC)c([N+](=O)[O-])c1 102990118 WEAYGGWGEJZBOB-XSFVSMFZSA-N 348.447 4.493 50 40 EIGB CCOc1ccccc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1 409022027 HZPCZHNVXAIHIE-JAIQZWGSSA-N 342.782 4.249 50 40 EIGB O=C(Cn1c(NCCCl)nc2ccccc21)c1ccc(Cl)cc1 4725905 NTMFGQDOLPIAHV-UHFFFAOYSA-N 348.233 4.223 50 40 EIGB O=C(COc1ccc(Cl)c2ccccc12)N/N=C/c1ccccc1 5003462 LQAMKZAVEUKAEI-CIAFOILYSA-N 338.794 4.022 50 40 EIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/C(C)=C/c1ccco1 5827787 APVLKZYRJSWGEB-GHEQENTPSA-N 342.782 4.434 50 40 EIGB CC(/C=N/NC(=O)c1[nH]nc(-c2ccccc2)c1C)=C\c1ccccc1 6812739 RJHZFLLWDSMTTC-IUCDLXNESA-N 344.418 4.204 50 40 EIGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2)cc1Cl 409012268 PVRYGOOWXILAKO-FYJGNVAPSA-N 337.810 4.203 50 40 EIGB Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 143628 SXJBCGWDRVUTRR-XLIONFOSSA-N 342.446 4.206 50 40 EIGB CC(C)(C)c1ccc(NC(=O)c2ccco2)c(NC(=O)CCl)c1 163018 IVNVKMDXOZSESS-UHFFFAOYSA-N 334.803 4.007 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 5413518 OLOZRJGUZUGFLU-LPYMAVHISA-N 332.403 4.433 50 40 EIGB FC(F)(F)[C@H](Br)COc1ccccc1Br 82863649 PFJYEDRPKVEFME-MRVPVSSYSA-N 347.956 4.154 50 40 EIGB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1OO3 101983380 IQKPNFFLSFPURG-NHWXPXPKSA-N 334.456 4.349 50 40 EIGB biogenic,in-vitro Cc1ccc(-c2nc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cs2)cc1 103947326 JWGWZSLYEASWEK-UHFFFAOYSA-N 340.360 4.246 50 40 EIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C 408948681 DBTMOXYZJDVQJT-DKNRJFKUSA-N 334.847 4.015 50 40 EIGB CC(C)n1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc21 409233199 RUKXSBPPKNVBJS-UUYOSTAYSA-N 337.398 4.054 50 40 EIGB CO[P@](=O)(C#Cc1ccccc1)[C@](O)(CCl)c1ccccc1 528877 MUYMDAHYYSCLCL-VGOFRKELSA-N 334.739 4.004 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3F)o2)cc1 408603556 RRHKNYYUFWDSEA-SSDVNMTOSA-N 340.329 4.297 50 40 EIGB Cc1ccsc1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1 409002688 WGFZLURZTUWDTL-UDWIEESQSA-N 337.448 4.228 50 40 EIGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 2848573 FFTFUFMVHUAHMD-NTUHNPAUSA-N 344.754 4.330 50 40 EIGB CC1CCC(=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 4155596 SZVMEMRIEKRKFI-DTIOYNMSSA-N 343.254 4.443 50 40 EIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 5604977 VTSFKYDQOCYGLT-WSDLNYQXSA-N 337.810 4.055 50 40 EIGB COc1ccc(Br)cc1/C=C(\C#N)c1nc(C)cs1 6925354 LWIRCDWZDPRDGE-VZUCSPMQSA-N 335.226 4.287 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc(CC(C)C)cs2)cc1OC 28296538 NVCAYAUWRGQHDI-RIYZIHGNSA-N 328.437 4.423 50 40 EIGB C[C@@]12CCC[C@H]1[C@@H]1CCC3=C/C(=N/NC(N)=O)CC[C@]3(C)[C@H]1CC2 118928664 ITUZGSVPOXPKFO-OYJMGCGSSA-N 329.488 4.364 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 408934483 DRIYKIIVEXCHAY-GDNBJRDFSA-N 338.794 4.450 50 40 EIGB Cc1cc2nc(NC(=O)[C@H](Br)C(C)C)sc2cc1C 20133298 OVHLIYCBSXHXRE-GFCCVEGCSA-N 341.274 4.271 50 40 EIGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 33471938 FQFWWZFDAIRQBJ-ZSOIEALJSA-N 341.292 4.123 50 40 EIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OC 408806730 BOAXDDPDPDIOJW-VBKFSLOCSA-N 336.366 4.108 50 40 EIGB Cc1cc(C(=O)N/N=C/c2cccc3ccccc23)c2ccccc2n1 263040 HYBNKMCVSOWEEX-OEAKJJBVSA-N 339.398 4.460 50 40 EIGB COc1ccc(N/C=C(\C#N)c2nc(C3CC3)cs2)cc1OC 16959930 MWAADRCHSHINSP-FMIVXFBMSA-N 327.409 4.014 50 40 EIGB O=C(N/N=C1\CCCc2ccccc21)c1c(O)ccc2ccccc12 17067696 MSJXDQXTVGLSDP-RELWKKBWSA-N 330.387 4.016 50 40 EIGB CC/C(Cc1ccccc1)=N\NC(=O)COc1ccc(Cl)c(C)c1 408952548 KRFPCJRAMDYGEZ-LTGZKZEYSA-N 344.842 4.152 50 40 EIGB C[C@@H](/C=N/NC(=O)CNc1cccc2ccccc12)c1ccccc1 4551649 BNLFNHKOVOGSSL-YQCVNYCESA-N 331.419 4.157 50 40 EIGB CC(/C=N/NC(=O)c1ccccc1Br)=C\c1ccccc1 12362150 DAMOARAIBDTARW-SZFRVYISSA-N 343.224 4.268 50 40 EIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1 28267299 DDMURMNZGPDWES-CPNJWEJPSA-N 341.414 4.451 50 40 EIGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1 408804283 XABIAQHEZSZYFA-FOWTUZBSSA-N 336.391 4.030 50 40 EIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408808714 NBKHZLVIUNANDY-HNEYUBDGSA-N 339.414 4.055 50 40 EIGB O=C(C[C@@H](c1ccccc1)[C@H](Br)[N+](=O)[O-])c1ccccc1 1664812 CRXLMPNUYVJICQ-GOEBONIOSA-N 348.196 4.041 50 40 EIGB O=C(N/N=C/c1c[nH]c2c1CC=C2)c1cccc(Nc2ccccc2)c1 6276921 VUSGFAGLOJDDLQ-OEAKJJBVSA-N 342.402 4.092 50 40 EIGB CC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(N1)c1ccccc1C2=O 25329790 GTPHUJDTAZDCBG-QGZVFWFLSA-N 332.790 4.432 50 40 EIGB N#C/C(=C/c1ccc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1 96792448 YKXJFGKKGVIZQP-UNOMPAQXSA-N 337.375 4.317 50 40 EIGB N#C/C(C(=O)CSc1ccccc1F)=C1\Nc2ccccc2S1 105767234 GTNLDQYOKHKNBT-BOPFTXTBSA-N 342.420 4.440 50 40 EIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(OC)c1 408865193 BONYUPMNIMKZQJ-OVCLIPMQSA-N 340.810 4.457 50 40 EIGB C[C@H](Cl)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362671 VTKWHHPMOKMVDJ-YFKPBYRVSA-N 331.515 4.158 50 40 EIGB CC(C)=C/C(C)=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 5290849 CIWKMRIZIYEZGW-UZXYXVAJSA-N 332.447 4.451 50 40 EIGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NC1CC1 7750656 KKQWROWLDZRQMK-CSKARUKUSA-N 347.201 4.439 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)c(C)c1 33666130 UIARLECKYWWPTG-GDNBJRDFSA-N 342.345 4.451 50 40 EIGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 523347 RXJULTBAYJAPLO-OAHLLOKOSA-N 349.371 4.028 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1 5750011 RDHCVNUYYOGWSS-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 6366507 SHJPQJRHBFBEMJ-NBVRZTHBSA-N 341.414 4.451 50 40 EIGB CC(C)[C@H](Br)C(=O)Nc1nc2ccc(Cl)cc2s1 19803660 GZKXBCUGUUTTHA-JTQLQIEISA-N 347.665 4.308 50 40 EIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OCC)c1O 408854899 KMGCXKMFPPKAFQ-ATVHPVEESA-N 348.402 4.065 50 40 EIGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 502676 DGZZNBGZDQOOFL-HZHRSRAPSA-N 344.414 4.338 50 40 EIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(Cl)cc1Cl 100172165 BXDUFOVLBLHOAX-COUCJTJBSA-N 325.239 4.270 50 40 EIGB CCOC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1 101401984 DGLYAJIJIFQRJC-WJDWOHSUSA-N 341.794 4.389 50 40 EIGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 523346 RXJULTBAYJAPLO-HNNXBMFYSA-N 349.371 4.028 50 40 EIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 59473270 LLJBXHIUHKSTNH-VXLYETTFSA-N 332.856 4.032 50 40 EIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C 408948687 DBTMOXYZJDVQJT-YKUHDHSLSA-N 334.847 4.015 50 40 EIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1Cl 484751 CEFWREIBBBBJPH-CIAFOILYSA-N 338.794 4.266 50 40 EIGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 5906093 VDSWSQCFKOQULP-QPEQYQDCSA-N 344.754 4.417 50 40 EIGB CCCCCCCCCCCCCCCNC(=S)NNC(N)=O 104253906 WQTPNQDIZROBEQ-UHFFFAOYSA-N 344.569 4.125 50 40 EIGB N#CCOc1ccccc1/C=C(\C#N)Sc1nc2ccccc2[nH]1 408598431 AGSAMAQXMBCJCB-SDNWHVSQSA-N 332.388 4.122 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NC1CCCCC1 47052 XOJOCXKOHGBCRD-DTQAZKPQSA-N 334.419 4.204 50 40 EIGB O=C(COc1ccccc1F)N/N=C/c1ccc(-c2ccccc2)cc1 6684975 FJFNCIHGDYEIOT-OEAKJJBVSA-N 348.377 4.022 50 40 EIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 408904453 JSJSDZFWEYYTDD-SDQBBNPISA-N 334.253 4.383 50 40 EIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1 1319262 PUTQVCOYBFNABW-STCDJXRXSA-N 344.842 4.383 50 40 EIGB CCCCCCSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1 2062397 HYBLKCYMQMUZPK-HNNXBMFYSA-N 330.453 4.044 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 4815514 GHCLSRGFORZNMH-YBFXNURJSA-N 345.240 4.336 50 40 EIGB N#CCn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 7098436 DQYDSEZEXMRCSP-PTNGSMBKSA-N 328.331 4.137 50 40 EIGB COc1cccc(/C=C(/C#N)c2nc3c(s2)CCCC3)c1OC 12377647 KOHDNSDNXOMICC-RAXLEYEMSA-N 326.421 4.103 50 40 EIGB CC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Cl)cc2s1 20132180 YRESHZRMXQSDLJ-MRVPVSSYSA-N 347.665 4.370 50 40 EIGB CCOC(=O)/C(C#N)=C(/SC)[C@@H]1CCCCCCC1=C(C#N)C#N 59662338 WVFNLWNXDLTZGO-XNSRXUQDSA-N 343.452 4.004 50 40 EIGB BrCc1ccc(C(Br)Br)cc1 68564063 FTUFZKWDDCIZAC-UHFFFAOYSA-N 342.856 4.370 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1 31143 LFOXEUORPHFCOL-CAUNFOBBSA-N 331.419 4.099 50 40 EIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCC)c2)ccc1O 408741878 OGOKUBQTPKWELB-SFQUDFHCSA-N 348.402 4.065 50 40 EIGB CCSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 8970116 HTKJWQJDQULHSN-SECBINFHSA-N 327.236 4.085 50 40 EIGB N#C/C(=C\c1ccccc1OC1CCCC1)c1nnc2n1CCCCC2 63276025 BAXJYKVNODCHOY-SAPNQHFASA-N 348.450 4.390 50 40 EIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 409063038 FXMGMDFLFLJIIK-OQLLNIDSSA-N 328.799 4.218 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)cc1 5588428 XWVDINAMCAXRAV-VKAVYKQESA-N 327.387 4.331 50 40 EIGB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NN=C1CCCC[C@@H]1C 5728128 PMKUZKGORSUFBG-BLLLJJGKSA-N 344.484 4.116 50 40 EIGB CN(NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 10737553 VGBBRCLQKYWXCA-UHFFFAOYSA-N 330.431 4.376 50 40 EIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(C)c(C)c2C)cc1 59473416 OMQUPRNCQBGBFH-SRZZPIQSSA-N 340.492 4.304 50 40 EIGB Cc1ccc(OCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1 409163036 KZGZYXJBYAXFFI-WSDLNYQXSA-N 349.434 4.060 50 40 EIGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)O 13058570 OLORLPIWCZMGHZ-FOWTUZBSSA-N 342.354 4.084 50 40 EIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1ccc2ccccc2c1 59249525 AIBPESZOSQOBTN-XQNSMLJCSA-N 339.398 4.394 50 40 EIGB CCc1nc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)c2ccccn12 96035406 VNXOGXHTBGICFO-FMIVXFBMSA-N 342.324 4.375 50 40 EIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408816524 RUYWAZGKRQOWKW-SFQUDFHCSA-N 348.402 4.114 50 40 EIGB FC(F)(F)COc1ccc(CBr)c(Br)c1 1776010745 UAUYZPMKMAXYMN-UHFFFAOYSA-N 347.956 4.285 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)o2)cc1 4723646 AYJJLUKWOGWMAH-XFXZXTDPSA-N 345.196 4.150 50 40 EIGB CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846161 DFQGIJRNROYTBZ-HXUWFJFHSA-N 349.434 4.056 50 40 EIGB COc1ccc(NC(=O)CCCC[C@@H]2CCSS2)c(OC)c1 25381039 DHHVWOXDMSYKBO-CYBMUJFWSA-N 341.498 4.356 50 40 EIGB biogenic CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C)cc1 511976 IQWBQXUBZORATH-HZHRSRAPSA-N 346.430 4.240 50 40 EIGB CCn1c(C)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c1C 6144984 QIQNGMQLWBCSRZ-LPYMAVHISA-N 349.434 4.051 50 40 EIGB O=C(N/N=C1/CCCc2nc(-c3ccccc3)sc21)C1CCCC1 60808454 IIXOEZGBFFWJLG-PGMHBOJBSA-N 339.464 4.157 50 40 EIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1c[nH]c2ccccc12 100195436 SEZIFOXULUHOKP-CHHVJCJISA-N 337.386 4.176 50 40 EIGB N#CSCC(=O)Nc1ccc2nc(-c3ccccc3Cl)oc2c1 225688152 BAIJCLBTTLHMAC-UHFFFAOYSA-N 343.795 4.301 50 40 EIGB O=C(CCl)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 3885266 SYSPYOPJPIGDEF-MRMPSVPGSA-N 344.798 4.234 50 40 EIGB CC[C@@H](Br)C(=O)Nc1nc2c(C)cc(C)cc2s1 20132195 OSAAIPDFRKSYQZ-SECBINFHSA-N 327.247 4.025 50 40 EIGB CC[C@@H](Br)C(=O)Nc1nc2ccc(Cl)cc2s1 20132274 IEJAITCBUIJLLV-SSDOTTSWSA-N 333.638 4.062 50 40 EIGB Cc1c(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c2ccccc2n1C 59679658 RIPJIZCBPNKVHG-SDNWHVSQSA-N 333.366 4.172 50 40 EIGB Cc1ccc(C)c(OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)c1 102790321 CWFFHIGFQVNVTN-IFYDUGGMSA-N 328.456 4.001 50 40 EIGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccc(F)s2)cc1 252487685 HZNOFEIMHGGFLB-XKQKCCJTSA-N 344.455 4.439 50 40 EIGB Cc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)s1 46127 HYONOQCSHPDKOW-KGENOOAVSA-N 334.444 4.339 50 40 EIGB O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1Cl)c1ccccc1 4194503 HXTOJBLHWHAHPQ-ZWKOTPCHSA-N 343.835 4.153 50 40 EIGB O=C(COc1ccccc1Cl)N/N=C\c1cccc2ccccc12 5904630 MWHKDRHQPVZSHR-MTJSOVHGSA-N 338.794 4.022 50 40 EIGB O=C(CCCl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 32936373 SQWGMDVEUFAJOJ-AWEZNQCLSA-N 337.206 4.240 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1OCc1ccccc1 40139954 HXVSEMKZRQWAPF-WOJGMQOQSA-N 335.403 4.406 50 40 EIGB Cc1ccsc1C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1 44028354 QDSBCJJMFKFEIK-RQZCQDPDSA-N 333.416 4.091 50 40 EIGB CN(C)C(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 59333668 LEVOGAROMQOZPF-YFHOEESVSA-N 335.190 4.249 50 40 EIGB CCCC[N+](CCCC)(CCCC)CCC[Si](OC)(OC)OC 195756182 SDDUEXVLKIJEET-UHFFFAOYSA-N 348.624 4.472 50 40 EIGB O=C(CCCCBr)c1ccc(OC(F)(F)F)cc1 575358991 LVXNSYCKEOAZJZ-UHFFFAOYSA-N 325.124 4.333 50 40 EIGB CCc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@H]32)cc1 4631647 OTQGRWKTNXXLPH-WIBUTAKZSA-N 342.446 4.089 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)cc1OC 5445831 LCNLTSLTCIGFIT-IGVUGNCQSA-N 340.448 4.349 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@@H](C)O3)c(C)c1 408710804 LPVVTFKYIIUGOJ-CLXYIWAZSA-N 332.403 4.173 50 40 EIGB CCOC(=O)c1cc(-c2ccc(C=C(C#N)C#N)o2)ccc1Cl 16687759 JIBCLDBOSFPRCC-UHFFFAOYSA-N 326.739 4.207 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc2ccccc12 408566973 JLUWZCHOSVCRLE-XKZIYDEJSA-N 327.387 4.393 50 40 EIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(Cl)c2)c1 60225 YKXUWOUTVHWZNH-SRZZPIQSSA-N 344.842 4.301 50 40 EIGB O=C(N/N=C/c1ccccc1)c1ccc(OCc2ccccc2)cc1 225931 QCACHESLGOOCFX-PXLXIMEGSA-N 330.387 4.030 50 40 EIGB CC/C(C)=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1 5119675 IEZAAWPUNDYVNF-HZHRSRAPSA-N 347.418 4.330 50 40 EIGB O=C(NNc1cccc(Cl)c1)c1ccc(-c2ccc(F)cc2)o1 30612194 GARIJLMOEDDLJK-UHFFFAOYSA-N 330.746 4.496 50 40 EIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(Cl)c2)cc1 408568402 TXQPKZKTIKZZLG-FYJGNVAPSA-N 328.843 4.330 50 40 EIGB C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc(C)cc1C 409392543 QHZAVQQOUOASSI-JJIBRWJFSA-N 345.446 4.409 50 40 EIGB CCCCCCCC[C@H](C)[C@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21 2223852 NLQDWUFFAQUSBW-GUYCJALGSA-N 343.471 4.240 50 40 EIGB COc1ccc(Cl)cc1N/C=C(/C#N)c1nc2ccccc2n1C 4482853 SQBSYCKWEIAYHM-QXMHVHEDSA-N 338.798 4.212 50 40 EIGB CCc1cc(SC#N)cc(C)c1NC(=O)CC1(C(=O)O)CCCC1 13469531 PJPASTNSOPRHHG-UHFFFAOYSA-N 346.452 4.104 50 40 EIGB CSc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 58915753 OGXJURKGUBGZBP-HTMJNSLASA-N 330.478 4.039 50 40 EIGB CCOC(=O)/C(C#N)=C/c1c(C)nn(-c2cccc3ccccc23)c1C 409000987 ZOCATWGEQMAOJU-SFQUDFHCSA-N 345.402 4.112 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1 48005 IJQVDVUYNNDZFR-SAPNQHFASA-N 349.434 4.087 50 40 EIGB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CCCl 2679252 WUUSKQSQISDOED-UHFFFAOYSA-N 341.816 4.061 50 40 EIGB CC(C)Oc1ccc([C@H](CCNC(=O)CCl)c2ccccc2)cc1 4029752 QAGQEVJRSNFAMU-LJQANCHMSA-N 345.870 4.351 50 40 EIGB biogenic O=C(N/N=C/c1c(O)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2 4737421 HFNJEBSSTBNPQY-YDZHTSKRSA-N 348.446 4.212 50 40 EIGB C[C@@H]1CCC/C(=N\NC(=O)c2ccc(COc3ccccc3)o2)C1 34862180 IOJCPGMQPPFXLX-DUHXBFFASA-N 326.396 4.155 50 40 EIGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OC 107626261 BUDJVQCGLNQDHU-GDNBJRDFSA-N 333.391 4.343 50 40 EIGB C=CCn1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c2ccccc21 408569172 ZGGUMQJONUFQOZ-OEAKJJBVSA-N 345.446 4.137 50 40 EIGB CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 483510 JDZIXYQCYRMXHI-INIZCTEOSA-N 344.418 4.079 50 40 EIGB Cc1ccccc1C(=O)c1c(NC(=O)CCl)sc2c1CCCC2 13999043 XPWDGDPBBQZLEN-UHFFFAOYSA-N 347.867 4.344 50 40 EIGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1O 100173116 IOWHLWDABQTZKR-XDHOZWIPSA-N 348.855 4.068 50 40 EIGB CC(C)CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 5068879 NSKAUGWPYCFKKG-XSFVSMFZSA-N 348.446 4.335 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC#N)c3ccccc23)cc1 5588420 GKYGQLKTLHKTLB-FOWTUZBSSA-N 340.386 4.019 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5751665 XXURFBISAPOSSP-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 5753972 FBIYXIPMUHDCDM-MDWZMJQESA-N 341.754 4.102 50 40 EIGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1O 14134746 KJMXZPJFSDEJKS-LPYMAVHISA-N 348.402 4.097 50 40 EIGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C)cc1C 20194606 UTQSMDZQPZFWIX-OEAKJJBVSA-N 346.430 4.158 50 40 EIGB COC(=O)Cn1cc(/C=C(/C#N)c2ccc(F)cc2)c2ccccc21 408782566 KGISIIWKEHAYEE-GDNBJRDFSA-N 334.350 4.018 50 40 EIGB CC(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409020241 NAOBHRJQWDUXMW-YDZHTSKRSA-N 341.414 4.313 50 40 EIGB CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(NC(C)=O)cc1 3242905 JZIQIEWHCLELHI-NBVRZTHBSA-N 341.455 4.029 50 40 EIGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1ccccc1 20786963 FJKGPACQWXISEF-UKTHLTGXSA-N 331.202 4.217 50 40 EIGB Cc1cc(NC(=O)CCl)ccc1NC(=O)c1ccccc1Cl 379486 RRPXXLCATBHJNY-UHFFFAOYSA-N 337.206 4.078 50 40 EIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1 485133 CJCMVKKWSGOIKP-CNHKJKLMSA-N 343.597 4.116 50 40 EIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2sccc2C)cc1 1320047 DEQFHWYVTMKFGF-OTGIAGGSSA-N 330.453 4.099 50 40 EIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/C=C/c2ccc(C)o2)c1 3096824 LOCCLZCWLWMQIZ-FXIKFWFJSA-N 340.423 4.214 50 40 EIGB O=P(CCl)(CCl)O[C@H](CCl)COc1ccccc1 3159367 PATYEAVVYOKPHV-LLVKDONJSA-N 331.563 4.360 50 40 EIGB Cc1ccc(NC(=O)NNc2nc3ccccc3s2)cc1Cl 16500230 PYKBFKPXIWUAPD-UHFFFAOYSA-N 332.816 4.407 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2 37133313 OPDAMKCKROYWPX-BOPFTXTBSA-N 332.403 4.254 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OC(C)C)c2)cc1 20197872 XZJRWIWMMCZFRU-KGENOOAVSA-N 340.423 4.027 50 40 EIGB O=C(N/N=C1/CCCCc2ccccc21)c1ccc2ccccc2n1 6890600 MRIUVYJDDKNWTO-NMWGTECJSA-N 329.403 4.095 50 40 EIGB CCOP(=O)(OCC)/C(C#N)=C/c1cnc(-c2ccccc2)[nH]1 13215719 WDNNYKAJTUWOAO-XNTDXEJSSA-N 331.312 4.207 50 40 EIGB CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Cl)c1O 13942826 IMWGCBXLEGABEL-GHXNOFRVSA-N 339.782 4.385 50 40 EIGB COc1ccc(NC(=O)CCCC[C@H]2CCSS2)c(OC)c1 25381044 DHHVWOXDMSYKBO-ZDUSSCGKSA-N 341.498 4.356 50 40 EIGB biogenic CC(C)Cn1cc(/C=N/NC(=O)Cc2cccs2)c2ccccc21 409203257 XFOBVLDOHWZZRM-RGVLZGJSSA-N 339.464 4.052 50 40 EIGB N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1ccccc1 13943154 ICLVYVHLMCOWNJ-NTMALXAHSA-N 333.210 4.056 50 40 EIGB N#C/C(=C/Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 57414141 KSVCTYPYMBEQRK-KHPPLWFESA-N 332.190 4.451 50 40 EIGB N#C/C(=C/c1ccc(Br)cc1)Cn1cnc2ccccc21 408691589 GZBVGMVCNDRLJP-ZROIWOOFSA-N 338.208 4.406 50 40 EIGB C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccccc3)c2C#N)C1 947386 LDJYAOXOWWRLOS-LERPTODRSA-N 347.443 4.290 50 40 EIGB CC1(C)CC2(CCCCC2)N2C(=O)C(=C(C#N)C#N)c3cccc1c32 14162268 DJMIUNSQKPEODS-UHFFFAOYSA-N 331.419 4.218 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1Br 101733265 ADTZKLYJZUMWRA-AYVCNSEFSA-N 349.272 4.034 50 40 EIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1cc2ccccc2o1 409107409 PLCOYNYAUIHDAN-JAIQZWGSSA-N 342.782 4.249 50 40 EIGB CCn1c(C)c(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)c2ccccc21 409381405 UALGGBICMGFYFP-SFQUDFHCSA-N 346.434 4.065 50 40 EIGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 2752453 LEKJJGRZVQTHFH-RGVLZGJSSA-N 349.217 4.322 50 40 EIGB O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1cccc(Cl)c1 3157625 DMKSPLXGFHSMCF-LJQANCHMSA-N 342.762 4.345 50 40 EIGB CC(C)(C)c1ccc(O)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1 4724599 CKDVWNLQPLYROV-CIAFOILYSA-N 344.842 4.036 50 40 EIGB N#C/C(=C/c1cnc(-c2ccccc2)s1)c1nnc2n1CCCCC2 66255754 UIVJVYFBGUVWNF-PTNGSMBKSA-N 347.447 4.192 50 40 EIGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(OC)c1OC 12364160 KCFCUBUYRFWRPG-ZSOIEALJSA-N 329.783 4.430 50 40 EIGB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=O)[C@@H](C)Cl)cc2Cl)C1 34776842 SZCPRSXBUGSUHN-IJLUTSLNSA-N 329.271 4.388 50 40 EIGB O=C(N=C=S)c1ccc(-c2ccc(Br)cc2F)o1 73638369 SOZMWQBIUDACLR-UHFFFAOYSA-N 326.146 4.091 50 40 EIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1cc2ccccc2o1 408959542 ASNAXGQXAYLABR-HMAPJEAMSA-N 347.418 4.105 50 40 EIGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cccs1 3248047 JOTYQMBBBJYBBU-YRNVUSSQSA-N 332.812 4.264 50 40 EIGB O=C(Cc1cccs1)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 71335787 AWJYFXCOKHJEFJ-ODLFYWEKSA-N 344.823 4.354 50 40 EIGB CCOC(=O)/C(C#N)=C/Nc1nc(-c2ccc3ccccc3c2)cs1 100924859 HNFRZJASVYNOOJ-LFIBNONCSA-N 349.415 4.346 50 40 EIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccnc1 4739865 RAYYIQQFAWFTCK-GZTJUZNOSA-N 339.402 4.430 50 40 EIGB Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1 408770724 BGLHVEPQVNPBPT-ODLFYWEKSA-N 335.451 4.143 50 40 EIGB Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc2n1C 408814132 RPRXIIFWVWWISB-KAMYIIQDSA-N 333.366 4.172 50 40 EIGB N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1cccs1 409131489 YBMAJRSKAKCWDB-CYBMUJFWSA-N 326.446 4.020 50 40 EIGB CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)n(C)c2ccccc12 479930 ZORYKFPXNYQWRR-DTQAZKPQSA-N 330.387 4.315 50 40 EIGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 5370281 JWLUTPDQBWDSHS-DEDYPNTBSA-N 339.395 4.046 50 40 EIGB CSC1=C(C#N)[C@H]([C@@H]2CC=CCC2)C2=C(CC(C)(C)CC2=O)N1 14671759 RQRXEIMIGGPHAM-WBMJQRKESA-N 328.481 4.303 50 40 EIGB CCC[C@H](Br)C(=O)Nc1nc2ccc(Cl)cc2s1 20132590 REKWFVAOTCIFPI-QMMMGPOBSA-N 347.665 4.452 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Cl 192695993 MPWUQQNTUHYEIS-XYOKQWHBSA-N 330.746 4.033 50 40 EIGB CCn1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21 409243131 YVNSRGJGDSRCFK-OKSBFYSISA-N 343.430 4.446 50 40 EIGB Cc1ccsc1/C=N/NC(=O)CSCc1cccc(Cl)c1 58915633 KBGNCRRGQLCSMK-CAOOACKPSA-N 338.885 4.093 50 40 EIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H](C)CC2)c1C 96180166 KFCVPXVAJJTUSQ-DQPIFXJKSA-N 327.472 4.071 50 40 EIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(Cl)c1 408762313 DOTJFBQWMDSFNJ-UFFVCSGVSA-N 340.732 4.052 50 40 EIGB O[C@H](CBr)c1cc(-c2ccccc2)nc2ccccc12 17301477 KWVHEXKSBPLBPQ-QGZVFWFLSA-N 328.209 4.330 50 40 EIGB CCCCCCCCCC[C@@H](Br)[C@@H]1OC[C@H](CO)O1 101010620 OMWWOGKQMCCMAF-RRFJBIMHSA-N 337.298 4.015 50 40 EIGB Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=O)C(C)(C)C)c1[N+](=O)[O-] 1736457 IFMKNXXTZXIVJV-UHFFFAOYSA-N 338.360 4.060 50 40 EIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1 3140007 MNVALJJCDAFIMQ-AWFLEDEYSA-N 336.435 4.178 50 40 EIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 5131114 YYUGMUPDGFEVBD-FOWTUZBSSA-N 343.342 4.294 50 40 EIGB N#C/C(=C\c1cccc(C#N)c1)C(=O)c1c[nH]c2cc(Cl)ccc12 44027381 JYZYOOFWUQVFMW-VGOFMYFVSA-N 331.762 4.483 50 40 EIGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)NC1CCCC1 409191451 HURLDXBQDFBSOL-OWBHPGMISA-N 338.432 4.397 50 40 EIGB N#C/C(=C/c1ccccc1Br)C(=O)Nc1ccccc1F 3477217 OLQIIHQXYKRKAD-XFXZXTDPSA-N 345.171 4.134 50 40 EIGB CCOC(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12 4525970 DUIXLHACGWOCKF-HYARGMPZSA-N 348.402 4.499 50 40 EIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1 4976900 CJMJMNQLOXSNDO-FOWTUZBSSA-N 340.448 4.150 50 40 EIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(C)ccc1Cl 20195520 NORNUSAYSZQSET-RCCKNPSSSA-N 328.843 4.348 50 40 EIGB Cc1ccc(-c2nc(/C=C(\C#N)c3nnc4n3CCCCC4)co2)cc1 96035435 ZGRSAFRGZYKTAD-LFIBNONCSA-N 345.406 4.032 50 40 EIGB O=S(=O)(C[C@H](Cl)c1ccccc1)c1ccc(F)c(Cl)c1 153180 ZJBXMTBRZXTWJA-ZDUSSCGKSA-N 333.211 4.233 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)s2)cc1 262657 PBVJYIRYOIMCOD-DHZHZOJOSA-N 347.237 4.365 50 40 EIGB CCCSC1=C(C#N)[C@@H](c2ccccc2OCC)[C@@H](C#N)C(O)=N1 2298637 HSABLHXYGLDNPP-CJNGLKHVSA-N 341.436 4.157 50 40 EIGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 3256469 YOSOJJVNKGXWGR-FOWTUZBSSA-N 348.402 4.228 50 40 EIGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(Cl)cc1Cl 5175563 BXDUFOVLBLHOAX-VAVSGDEYSA-N 325.239 4.270 50 40 EIGB COC(=O)N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O 100384356 RZNFYNKPFDRLLU-VBNSEIGASA-N 332.747 4.151 50 40 EIGB COC(=O)c1cc(Cl)ccc1C(=O)CCCCCBr 575361901 RANNCVIRNRIYLW-UHFFFAOYSA-N 347.636 4.265 50 40 EIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1Cl 2172850 PYGJHDFGMCJJIG-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB Cn1c(-c2ccccc2)c(/C=N/NC(=O)c2ccco2)c2ccccc21 20933241 UGNKUWRHOVHUHB-HYARGMPZSA-N 343.386 4.202 50 40 EIGB Cc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)n1 29518163 BPWLLVVLHFQJQN-UHFFFAOYSA-N 330.602 4.107 50 40 EIGB CCCCCOc1ccccc1/C=N/NC(=O)Cc1ccc(C)cc1 408737158 LWHZUFYCWCVWMQ-CJLVFECKSA-N 338.451 4.257 50 40 EIGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1 409136604 XTNJYHSSVNEWPO-WJDWOHSUSA-N 342.801 4.380 50 40 EIGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccncc1 45070 SFZNDNWHTDVIPK-OEAKJJBVSA-N 325.371 4.152 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1 503607 SJKNAKPFBJGERM-WSDLNYQXSA-N 348.402 4.090 50 40 EIGB COc1ccc(C(=O)/C(C#N)=C/c2ccccc2Br)cc1 6337823 RDGQDVGMRHEMAC-GXDHUFHOSA-N 342.192 4.248 50 40 EIGB CC(C)COc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1 6827313 NPJDSSGWDDJSSJ-SFQUDFHCSA-N 326.440 4.077 50 40 EIGB FC(F)(F)[C@H](Br)COc1cccc(Br)c1 82863597 RLLVYSZRRNSCSZ-MRVPVSSYSA-N 347.956 4.154 50 40 EIGB FC(F)(F)Oc1cccc(Br)c1CBr 114415983 QJFUALFIAXHTNL-UHFFFAOYSA-N 333.929 4.243 50 40 EIGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1 256262 NXEMEWNXCYSEAT-SRZZPIQSSA-N 339.782 4.067 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2806019 XXURFBISAPOSSP-MDWZMJQESA-N 341.754 4.102 50 40 EIGB CCSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 8972704 HTKJWQJDQULHSN-VIFPVBQESA-N 327.236 4.085 50 40 EIGB CC(C)c1nnc(NC(=O)CCCC[C@H]2CCSS2)s1 26601752 BFVFDRKEMIYSOV-JTQLQIEISA-N 331.532 4.314 50 40 EIGB biogenic CCOC(=O)/C(C#N)=C/c1ccc2c(c1)Sc1ccccc1N2C 3216640 LVYWDXZGCWKHAT-GXDHUFHOSA-N 336.416 4.389 50 40 EIGB CCCN1CCC(=NNC(=O)c2sc3ccccc3c2Cl)CC1 55080763 ARWTVLADIFBRCM-UHFFFAOYSA-N 349.887 4.146 50 40 EIGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cccc(F)c2)cc1 370176 XOLVSKWHCGATKN-BAOAJVHZSA-N 338.426 4.377 50 40 EIGB O=C(CCCCl)Nc1ncc(Cc2ccc(Cl)cc2)s1 4510734 QXGVVKQXBUCFRF-UHFFFAOYSA-N 329.252 4.345 50 40 EIGB N#C/C(=C/[C@H]1CC[C@H](Cl)[C@H](Cl)C1)C1CCC([N+](=O)[O-])CC1 5328142 YXMOBOKLNGJUAP-HOECBDMDSA-N 331.243 4.287 50 40 EIGB Cn1cc(C(=O)N/N=C\c2cccc3ccccc23)c2ccccc21 33322906 DYRNMSKUKXULRG-XKZIYDEJSA-N 327.387 4.095 50 40 EIGB CCCC[C@@H](Br)C(=O)Nc1nc2c(F)cccc2s1 20133115 OFWCECVQWIMNCU-MRVPVSSYSA-N 345.237 4.328 50 40 EIGB COc1cc(C)c(/C=C(/C#N)C(=O)NCc2ccccc2)cc1C(C)C 408747500 OVPXHFXXVLXSLM-ODLFYWEKSA-N 348.446 4.350 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)c(OCC)c1 409366073 SNCNFFRXAGATCR-SXGWCWSVSA-N 337.375 4.277 50 40 EIGB N#C/C(=C/[C@@H]1CC[C@H](Cl)[C@H](Cl)C1)C1CCC([N+](=O)[O-])CC1 5328141 YXMOBOKLNGJUAP-QUJPJEDESA-N 331.243 4.287 50 40 EIGB CSc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 1967162 SGQOTRITAMMDBZ-GZTJUZNOSA-N 329.446 4.055 50 40 EIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C 408995302 LXFKQCVGVVQHGI-CIAFOILYSA-N 335.407 4.068 50 40 EIGB N#C/C(=C1/C=C/C(=N\O)C(Br)=C1)c1ccc(Cl)cc1 6471815 AZBOOVSQUCXHIJ-MNCUKKGWSA-N 335.588 4.296 50 40 EIGB CCOc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1O 32811719 LOFBDEPCDRSYNO-XNTDXEJSSA-N 346.386 4.371 50 40 EIGB CC1=C2CC(=O)C=C2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)C12CC2 196048867 YQSDGDYXPRGCRO-SJLPKXTDSA-N 334.532 4.137 50 40 EIGB in-vitro Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c1C 409003281 ZDVDDHQPJSALRZ-UCQKPKSFSA-N 345.446 4.475 50 40 EIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 307939 CVHZIXPDFRQPBU-VCHYOVAHSA-N 330.796 4.425 50 40 EIGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc1 4047914 DDMURMNZGPDWES-UYRXBGFRSA-N 341.414 4.451 50 40 EIGB N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2o1 5338102 OGMOVFZQNLFRTC-KTKRTIGZSA-N 340.726 4.366 50 40 EIGB C=CCCCCCCCCC(=O)N/N=C\c1ccc(NC(C)=O)cc1 31723607 CJMVMOUQAIIQLV-PGMHBOJBSA-N 343.471 4.402 50 40 EIGB Cc1c(NC(=O)CSC#N)cccc1-c1nc2ccccc2s1 216858222 SKRDCZCTPHLSAC-UHFFFAOYSA-N 339.445 4.425 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)o1 408819311 PXBKNTVCJKMPKM-QBFSEMIESA-N 343.814 4.325 50 40 EIGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C(C=O)=C[C@]4(C)[C@H]3CC[C@]12C 4804639 OCVPDTVTUBHZET-KPYMMKSZSA-N 340.463 4.069 50 40 EIGB CC(C)c1cccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c1 38654496 XZBNBLOXLNPZAH-UHFFFAOYSA-N 342.395 4.239 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(O)c1 408745183 PXXLKRWQKDEVIT-ATVHPVEESA-N 349.434 4.093 50 40 EIGB N#C/C(=C/c1ccsc1)C(=O)Nc1ccc(Br)cc1 408747438 NXKACVCOVGYYCH-XFFZJAGNSA-N 333.210 4.056 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)c1 408758471 KMFSYVYLQQMEAW-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 408962397 IBKXIQZCNFYDCR-GHXNOFRVSA-N 334.253 4.383 50 40 EIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)CC)cc2)C1 358107 XMVDLLYYIXBGPR-XEFZIOHMSA-N 339.439 4.053 50 40 EIGB O=C(O)[C@@H](Br)Cc1ccccc1Sc1ccccc1 225012755 SSSFBYKHVPFOFZ-ZDUSSCGKSA-N 337.238 4.228 50 40 EIGB COc1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1Br 408565788 ALVLMXYSPCQWGU-CHHVJCJISA-N 339.192 4.394 50 40 EIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)cc1 408752070 BORBDGWKPJZPIL-HZHRSRAPSA-N 345.446 4.420 50 40 EIGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408766017 NSZIIWSCISTAHN-WDZFZDKYSA-N 333.174 4.245 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1C 408780898 MTLNKFKZGRACBC-ODLFYWEKSA-N 335.451 4.143 50 40 EIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1Cl 409099544 OGRLWNXWHKJEHW-VXLYETTFSA-N 337.206 4.156 50 40 EIGB C[C@@H](Cl)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362670 VTKWHHPMOKMVDJ-RXMQYKEDSA-N 331.515 4.158 50 40 EIGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C)c1ccc(Br)cc1 4544680 OXJOAEKUJZHJBA-OYXWMQGTSA-N 349.272 4.116 50 40 EIGB CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846204 PXXUIEJMVKQRMC-FQEVSTJZSA-N 349.434 4.056 50 40 EIGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl 409188950 LIORDNMLFPYTQZ-ZROIWOOFSA-N 332.831 4.093 50 40 EIGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(C)cc1C 5538330 HCVMKRACHOXYPS-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB CC(C)/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccccc1 12401179 RUVFNJHBOGFHRO-LSDHQDQOSA-N 332.403 4.336 50 40 EIGB Cc1noc(C)c1[C@@H](C)C(=O)NN(c1ccccc1)c1ccccc1 58426974 XBUJCMJBTOSFRL-CQSZACIVSA-N 335.407 4.264 50 40 EIGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(F)s2)cc1 252487684 HZNOFEIMHGGFLB-XIRVLSMDSA-N 344.455 4.439 50 40 EIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/C=C/c1ccccc1 408796606 ASHXNIUHQDHTQP-MSNJMMSUSA-N 338.794 4.450 50 40 EIGB Nc1cc2c(cc1Br)-c1ccccc1[C@@H]2Br 1693081 CGQHQVXXEZHZKC-ZDUSSCGKSA-N 339.030 4.496 50 40 EIGB BrCCn1c2ccccc2c2nc3ccccc3nc21 2690676 NMPONTOIKHZFKB-UHFFFAOYSA-N 326.197 4.133 50 40 EIGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(F)cc1 5129542 DCTXNJZPDFGZCB-XYOKQWHBSA-N 345.171 4.134 50 40 EIGB CC/C(Cc1ccccc1)=N\NC(=O)c1cc(C)nc2ccccc12 13552049 HILZSBORWOLARD-HAVVHWLPSA-N 331.419 4.282 50 40 EIGB COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(OC)c1C 408569837 QMWOROBLXZTTDN-JYRVWZFOSA-N 337.354 4.092 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1cc(C)ccc1C 408719558 VJXIHAUMOCTPED-WLVMFVESSA-N 326.465 4.324 50 40 EIGB CCn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21 408806675 AXSJITNBZQVXQV-MTJSOVHGSA-N 331.375 4.171 50 40 EIGB O=C1C(Cl)=C(Cl)C(Cl)(Cl)[C@H](Cl)C1(Cl)Cl 1684340 RYTIMFVQZPTFSL-BYPYZUCNSA-N 337.244 4.214 50 40 EIGB C/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1Cl 6528815 XNJKMFZPFHBKCP-UFWORHAWSA-N 342.613 4.196 50 40 EIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 16291495 QVGQVEKVRAFTIA-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB CCOc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)ccc1O 48417582 RFTGQKHBLXWTPA-OQLLNIDSSA-N 333.343 4.327 50 40 EIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 509159 KYITZEKCNRSBBP-CIAFOILYSA-N 344.842 4.167 50 40 EIGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1cccnc1 1681845 CHMHREPQHIKYOA-CIAFOILYSA-N 336.266 4.425 50 40 EIGB O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1Cl)c1ccccc1 4194504 HXTOJBLHWHAHPQ-ROUUACIJSA-N 343.835 4.153 50 40 EIGB C[C@H](/C=N/NC(=O)CNc1ccc2ccccc2c1)c1ccccc1 5336150 HGBROVJKDFHOQQ-BRABVMKYSA-N 331.419 4.157 50 40 EIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(Cl)c1 58822586 MAMWXBJIZDFIOF-VXLYETTFSA-N 337.206 4.156 50 40 EIGB CC(C)c1csc(C(C#N)=C2CCN(c3nccs3)CC2)n1 89893522 FWWUZRWUMKSOIV-UHFFFAOYSA-N 330.482 4.301 50 40 EIGB Cc1cc2c(cc1/C=N\NC(=O)c1ccco1)[C@@H](C)CC(C)(C)N2C 208213540 BGSARSZKKOZRCB-HKMXWPIPSA-N 339.439 4.074 50 40 EIGB CCOc1cc(C)c(/C=N/NC(=O)c2ccccc2F)cc1C(C)C 408846858 SPLMQQIDQHCVST-WSDLNYQXSA-N 342.414 4.420 50 40 EIGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)c1ccc(F)cc1 4675424 NIAFXTVLMSVOLW-FOWTUZBSSA-N 332.334 4.379 50 40 EIGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 409355013 BCGHNXCTVBKRBY-OEAKJJBVSA-N 341.430 4.076 50 40 EIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1 485123 JCQVQXKUXQXUCT-CIAFOILYSA-N 338.794 4.266 50 40 EIGB N#CC(=C\c1ccc2c(c1)OCO2)/C(O)=N/c1nc2ccccc2s1 41120670 RLXHPTRBUWQFBK-KPKJPENVSA-N 349.371 4.220 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)cc1C 408959532 AOWYQHQWRAOARQ-RGEXLXHISA-N 345.446 4.449 50 40 EIGB FC(F)(F)Oc1cccc(CBr)c1Br 616575165 AGZFZBQECRGXSR-UHFFFAOYSA-N 333.929 4.243 50 40 EIGB CC1(C)[C@H]2CC[C@]1(C)C(=O)O[C@@H]2[C@@H](Br)c1ccccc1 13405074 QYWCYKSLJQCHDH-AYMQEEERSA-N 337.257 4.491 50 40 EIGB biogenic CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(Cl)cc2s1 19803659 GZKXBCUGUUTTHA-SNVBAGLBSA-N 347.665 4.308 50 40 EIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Cl)s1 33734800 JIRRXSZCLUOSNZ-VXLYETTFSA-N 344.823 4.327 50 40 EIGB CC1=C/C(=N\c2ccc(N(CCCl)CCCl)cc2)C=CC1=O 104184846 WZTDEQLZETUTBT-HKWRFOASSA-N 337.250 4.128 50 40 EIGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2c1 4587716 NLGCAEQYSJJAMV-MCGPVJOFSA-N 328.415 4.484 50 40 EIGB C/C(=N\NC(=O)c1cccnc1)c1ccc(Oc2ccccc2)cc1 4599467 ZULVVKUXPOPLBM-PXLXIMEGSA-N 331.375 4.028 50 40 EIGB O=C1C(Cl)=C2Oc3ccc(Cl)cc3N=C2[C@@H](Cl)[C@@H]1Cl 5582962 NPBQKLCVEDWXFQ-YUMQZZPRSA-N 336.989 4.053 50 40 EIGB N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(F)cc1 9087990 HDYSLLXMSWWUNR-INIZCTEOSA-N 338.407 4.098 50 40 EIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 16412103 KQUYNLJIHICAIB-NTCAYCPXSA-N 338.794 4.450 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 16789756 IRVFZWIZZPZKQB-MDWZMJQESA-N 341.754 4.102 50 40 EIGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C 33661570 SHFPZZJRKAOKJM-YBEGLDIGSA-N 338.363 4.455 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)cc1 59335178 YNUAAJVECSSZRV-FOWTUZBSSA-N 329.403 4.341 50 40 EIGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C)cc1 408719976 QNUTWCOFNOIGCQ-WLVMFVESSA-N 326.465 4.157 50 40 EIGB Cc1cccc2c3nc4ccccc4nc3n(CCBr)c12 525109 CUNHYLUMQGXEMP-UHFFFAOYSA-N 340.224 4.441 50 40 EIGB O=C(/C=C/c1ccco1)NN(Cc1ccccc1)Cc1ccccc1 12752341 LCJPIKQEPPKBHF-BUHFOSPRSA-N 332.403 4.026 50 40 EIGB CCn1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C 409070882 HFZPOJOXQKURRX-DJKKODMXSA-N 338.238 4.196 50 40 EIGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1Cl 60535 XQNGTXULILOCHE-WSDLNYQXSA-N 337.810 4.055 50 40 EIGB COc1cccc(C(=O)/C(C#N)=C/c2ccc(Br)s2)c1 6930879 QBCVKYDNXCGKHD-DHZHZOJOSA-N 348.221 4.309 50 40 EIGB CC(C)=CCC[C@@H](C)C/C=N/NC(=O)Cn1c(C)nc2ccccc21 7738445 VWFUCVIBECQYIQ-WMRWHDLOSA-N 340.471 4.219 50 40 EIGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)Cc3ccccc3)cc21 208435627 YTMSIRXEKZIDCL-HZHRSRAPSA-N 347.462 4.011 50 40 EIGB N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1Cl 60132529 STSJDQSEKAAKBO-XFFZJAGNSA-N 333.174 4.245 50 40 EIGB CC(=O)N/N=C\c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 409014211 WKWCNVXNHCFQCO-HMAPJEAMSA-N 331.419 4.231 50 40 EIGB Cn1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c2ccccc21 1236944 OBFYMPWCFCYDLL-AWQFTUOYSA-N 346.217 4.249 50 40 EIGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1Cl 4402111 ONIMHEXBUWBKOR-VXLYETTFSA-N 344.242 4.004 50 40 EIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C1\CCCC[C@@H]1CCC#N 5370453 CTQXXWRTJKPEEY-YZSZHRGGSA-N 329.469 4.133 50 40 EIGB CC[C@@H](C)c1ccc(-c2csc(N/C(C)=C(/C#N)C(N)=O)n2)cc1 7779478 UERJGGZYIKIVKA-DHVNXZJSSA-N 340.452 4.018 50 40 EIGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OC 13942828 JSLHYURMWZQOFJ-GHXNOFRVSA-N 339.782 4.298 50 40 EIGB C/C(=N\NC(=O)c1ccccc1C)c1ccc(N2CCCCC2)cc1 1009039 YLNIXSJJXBCMMN-OQKWZONESA-N 335.451 4.139 50 40 EIGB O=C(NNc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 1036625 JRFRSHYCFIYKGJ-UHFFFAOYSA-N 329.812 4.220 50 40 EIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 1994373 VZZNHCDLWRITJL-XQNSMLJCSA-N 345.446 4.450 50 40 EIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1 4778767 UJSTWAMBOPILKA-UZKMUBDTSA-N 336.435 4.394 50 40 EIGB CC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 19805755 GZRDGYYIAYZMAM-INIZCTEOSA-N 333.218 4.485 50 40 EIGB CCN1c2ccc(/C=N/NC(=O)c3ccccc3)cc2C(C)=CC1(C)C 208506932 FSSYUBDUFQKQIZ-HZHRSRAPSA-N 347.462 4.472 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc3ccccc3c2)cc1 408598964 MHRMKYNZJJJNRC-PXLXIMEGSA-N 332.403 4.393 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)c(Br)c1 141136 PFKXXMDBXXXOCG-GXDHUFHOSA-N 341.208 4.303 50 40 EIGB CCOC(=O)c1c(NC(=O)CCCCl)sc2c1CC[C@H](C)C2 1895358 FFAJXNALFXGHJB-JTQLQIEISA-N 343.876 4.007 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC(F)F 7000977 PBPNAAGMKSGEHY-XYOKQWHBSA-N 341.317 4.237 50 40 EIGB Cc1c2ccccc2c(/C=N/NC(=O)c2ccncc2)c2ccccc12 39557470 MNLYQEVZIVJERI-ZVHZXABRSA-N 339.398 4.460 50 40 EIGB O=C(CCl)N1CC=C(c2ccc(Cl)c(C(F)(F)F)c2)CC1 91297413 GCJMHMQBJDWHRH-UHFFFAOYSA-N 338.156 4.213 50 40 EIGB Cc1ccc(SCCC(=O)N/N=C/c2cccc(Cl)c2)cc1 409136360 YTIWCKZKPPNAGK-XDHOZWIPSA-N 332.856 4.281 50 40 EIGB Cn1nc(-c2ccccc2)nc1/C(C#N)=C/c1cnc(C(C)(C)C)s1 585135804 CFJFZEUKGVYYKY-GXDHUFHOSA-N 349.463 4.300 50 40 EIGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c2ccccc21 4959612 ZSAIRMDEXANGCZ-LGMDPLHJSA-N 339.398 4.129 50 40 EIGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc(C)c(C)c1 5618018 RQEQAPFRFNWHFH-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3ccccc3-n3cccc3)[C@H]1C2 7988146 KEPQIIJPMCFSGS-NIPIVYPRSA-N 333.435 4.185 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 76537658 JRCMTUWYICQZBV-OQLLNIDSSA-N 333.391 4.261 50 40 EIGB O=C/C(=C/Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2o1 5338103 ZFZOCXAWRAWAHY-NTMALXAHSA-N 343.726 4.041 50 40 EIGB COc1ccc(OC)c(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)c1 5447127 RQSXDLAVJLTQHG-IGVUGNCQSA-N 340.448 4.349 50 40 EIGB Cc1ccc(C(=O)N/N=C\C=C\c2ccc(Br)cc2)cc1 5928512 XJZPUFGXTWLGKY-JAUJIFBVSA-N 343.224 4.187 50 40 EIGB COc1ccc2nc(/C(C#N)=C/c3cccn3-c3ccccc3)[nH]c2c1 9263670 KPGCVPXSXOCWKR-NTCAYCPXSA-N 340.386 4.426 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 16411149 ITVIQZKTWQWZGL-FOWTUZBSSA-N 336.391 4.030 50 40 EIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccs1 4719788 YMPQANFZWWSPDC-VCHYOVAHSA-N 330.796 4.425 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 16410017 VNLOBUJFNCLFGX-NISQSXRWSA-N 332.403 4.036 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl 192695931 OXVQVFBXGUXANI-NTEUORMPSA-N 326.783 4.203 50 40 EIGB O=C(CSCc1cccc([N+](=O)[O-])c1)NN=C1CCCCCCC1 408724842 BPXJSBITEUTDMJ-UHFFFAOYSA-N 349.456 4.045 50 40 EIGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1F 6312192 NYSGELVZOJYSAW-HYARGMPZSA-N 342.414 4.042 50 40 EIGB CC(C)[C@]12C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2 101666595 OOHFJWCHEFCJDC-ABHMUUKNSA-N 334.456 4.493 50 40 EIGB N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1 408746132 XMKAHPUPIGTZSF-XFXZXTDPSA-N 345.171 4.134 50 40 EIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1 408961375 SHBHSPVCCNGABX-SDXDJHTJSA-N 331.419 4.223 50 40 EIGB Cc1ccc(OCCn2cc(C=C(C#N)C#N)c3ccccc32)cc1 379051 RBSFDPKZDIRORN-UHFFFAOYSA-N 327.387 4.459 50 40 EIGB CCCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1 2790478 DRKDLMCELCWNTO-PXLXIMEGSA-N 332.403 4.393 50 40 EIGB CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CCl 9482688 KIVXJBZEAOJHGN-CQSZACIVSA-N 346.858 4.106 50 40 EIGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccn1 33735305 JRPFXHQBRGWSFZ-WQRHYEAKSA-N 344.374 4.462 50 40 EIGB N#CC1=C(O)/C(=C\C=C/c2ccccc2)N(C(=O)c2ccccc2)C1=N 104240767 NXCRZZYJPGKHDU-PJWSOSLBSA-N 341.370 4.053 50 40 EIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 3615982 VAMJLUIQNNRFTR-SDNWHVSQSA-N 326.783 4.284 50 40 EIGB CC/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1 4650866 JRKVEWYSWRINJS-IJUQLDHVSA-N 326.827 4.374 50 40 EIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(C)c1 5336689 AVKGXNHHKBQYIY-HYARGMPZSA-N 332.403 4.311 50 40 EIGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 6471829 GTVQAAUCUZWAPT-XFXZXTDPSA-N 345.171 4.134 50 40 EIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 208679347 VMOBOMQNBTUFTI-XNTDXEJSSA-N 328.799 4.218 50 40 EIGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408925916 UXDVJCNDLFVQNK-UXBLZVDNSA-N 347.783 4.164 50 40 EIGB CC(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 409021219 ZDSFYVTXALROTG-SRZZPIQSSA-N 339.826 4.121 50 40 EIGB N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2[nH]1 4149633 IHCGARDFENOYLI-FNORWQNLSA-N 335.235 4.323 50 40 EIGB CCOc1ccc(CCCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 5872973 XVEHVGLZGVKBOF-KGENOOAVSA-N 344.842 4.212 50 40 EIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\C=C\c1ccccc1 13896301 CUODEKKYJJDAEM-AREPWMROSA-N 349.217 4.188 50 40 EIGB CCCCCCCCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 100166520 MBKRETORQVWHSZ-XMHGGMMESA-N 349.431 4.281 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 1079120 PZAFFOATKCPXCA-SSZFMOIBSA-N 336.391 4.030 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(C)n1-c1ccccc1 4677109 IOWVFAYNTZZCSQ-QGOAFFKASA-N 333.435 4.060 50 40 EIGB N#C/C(=C/Nc1cccc(C(=O)O)c1)c1nc2cc(Cl)ccc2o1 5740764 ZXLYNTCHBPQWEX-LUAWRHEFSA-N 339.738 4.156 50 40 EIGB COc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1 6843307 VUFFTNQCWBRDOL-UHFFFAOYSA-N 345.613 4.412 50 40 EIGB COc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 33477611 NLUMWKSWUQDBRK-JYRVWZFOSA-N 342.738 4.047 50 40 EIGB Cc1cc(C(=O)N/N=C/C2=CC[C@H]3C[C@H]2C3(C)C)c2ccccc2n1 103312822 LTVOAONGEQOMDN-IZHALTHDSA-N 333.435 4.251 50 40 EIGB N#C/C(=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)C(N)=O 252488469 ISNXVLBFAMUGJI-CLTKARDFSA-N 341.581 4.299 50 40 EIGB N#C/C(=C\c1ccc(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 586036 HPXOEEKTHKCHFP-KPKJPENVSA-N 345.152 4.127 50 40 EIGB CC1(C)CC(=O)C2=C(C1)NC(S)=C(C#N)[C@H]2c1ccc(Cl)cc1 3682878 UNZITIQYRPSORQ-OAHLLOKOSA-N 344.867 4.335 50 40 EIGB Cc1nc(COc2ccc(/C=C(\C#N)c3ccccn3)cc2)cs1 23078859 ZMROOZSVPPUHLP-MHWRWJLKSA-N 333.416 4.490 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)c1 38704597 FBTJYNMSRWYGAW-SSZFMOIBSA-N 335.407 4.124 50 40 EIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C 40865904 HSCZEAONHXEOQM-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB COc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1OC 408598804 JVVVNYYKSWLCCZ-UKTHLTGXSA-N 337.404 4.237 50 40 EIGB Cc1ccsc1/C=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C 2645557 VMSBVCZLYJQKFO-UDWIEESQSA-N 337.448 4.228 50 40 EIGB C/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1OC(F)F 38204557 UYVXQIBOMXSXRO-JMIUGGIZSA-N 338.741 4.095 50 40 EIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC 59335105 RSBSXACYKGOJHS-AQTBWJFISA-N 332.403 4.278 50 40 EIGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 100251770 HOJLQUZVRZMINR-SZYVORQISA-N 347.418 4.095 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cccc(Cl)c1 408772471 PNJTZPDFASTMHN-SXGWCWSVSA-N 341.842 4.179 50 40 EIGB N#CSc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 4406284 NTPSNCVXARSWNR-UHFFFAOYSA-N 347.743 4.101 50 40 EIGB CC[C@H](Br)C(=O)Nc1nc2ccc(Cl)cc2s1 20132278 IEJAITCBUIJLLV-ZETCQYMHSA-N 333.638 4.062 50 40 EIGB N#CC(=C(N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F 1857742925 JLOXTZFYJNCPIS-UHFFFAOYSA-N 335.354 4.231 50 40 EIGB Cc1c(/C=C(/C#N)C(N)=S)c2ccccc2n1Cc1ccccc1 6626044 PSKUOGRTMMMPRK-WJDWOHSUSA-N 331.444 4.191 50 40 EIGB N#CC1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCCC1 26456658 OLYDDVFUERXKFA-UHFFFAOYSA-N 332.618 4.174 50 40 EIGB N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(C(=O)O)cc1 408544503 UIHPBZZJBHZHCW-LGMDPLHJSA-N 336.391 4.422 50 40 EIGB COc1cc(OC)c(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1Cl 409364731 OZBICOHGRIEAAI-ACAGNQJTSA-N 343.766 4.150 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccc(C)cc1 31065 CWXRPAKIQZWFRM-FLVDCRJSSA-N 345.446 4.489 50 40 EIGB C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(C(C)C)cc1 345400 YSMYBBBJLLXZNP-OQKWZONESA-N 338.451 4.346 50 40 EIGB CCCCCO[C@H](c1ccc2c(c1)OCO2)[C@H](C)Br 1734253 YLXQVSUDMPPURY-NHYWBVRUSA-N 329.234 4.447 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 5944789 IYGIQNDUJFGAJY-PXLXIMEGSA-N 331.419 4.365 50 40 EIGB Cc1occc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 67192615 BVZYGBLOEBEKLQ-VXLYETTFSA-N 328.755 4.265 50 40 EIGB O=C(N/N=C/c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 408962702 JKFJNHLGDXQLLP-CNHKJKLMSA-N 332.734 4.184 50 40 EIGB O=C(CCCCl)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 3232027 UJJFSSKJUOYJPU-UHFFFAOYSA-N 346.786 4.369 50 40 EIGB O=C(CSc1ccccc1)NN=C(c1ccccc1)c1ccccc1 4013720 MSGXSWYBFWYHFQ-UHFFFAOYSA-N 346.455 4.348 50 40 EIGB Cc1ccc(-c2csc(NNC(=O)NC3CCCCC3)n2)cc1 5274807 AOUJWWPZXSCUGQ-UHFFFAOYSA-N 330.457 4.077 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 5753908 OMGGJIIVMZGQAV-NTEUORMPSA-N 326.783 4.203 50 40 EIGB O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc2ccccc2n1 9379255 SAZPRJLIDNFODP-UHFFFAOYSA-N 348.793 4.193 50 40 EIGB O=C(CCCCl)Nc1ccccc1-c1nc(-c2cccs2)no1 22463261 CBLWCROYNAUEIN-UHFFFAOYSA-N 347.827 4.423 50 40 EIGB Cc1cc(C)cc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1 59302676 DTIQROSQDTUXJX-CIAFOILYSA-N 334.423 4.259 50 40 EIGB CCCCC/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 4551585 XKJXHPMFZPPSCC-CZIZESTLSA-N 339.395 4.309 50 40 EIGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCCCC1 6463233 KITYGGVDPOPTSN-WONYEQENSA-N 344.842 4.180 50 40 EIGB Cc1noc(C)c1[C@H](C)C(=O)NN(c1ccccc1)c1ccccc1 58426977 XBUJCMJBTOSFRL-AWEZNQCLSA-N 335.407 4.264 50 40 EIGB C[C@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)ccc2O1 214202329 GDYSSVMZDZJIRH-XBUHWIKASA-N 338.794 4.209 50 40 EIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 220209 MWFTUQBKBKWAFG-FYJGNVAPSA-N 338.794 4.293 50 40 EIGB CCc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1 6225161 KVVJDUSKFFLQDL-HYARGMPZSA-N 332.403 4.175 50 40 EIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(C(F)(F)F)c1 12137490 OYNBJHYSVCCJHV-UFFVCSGVSA-N 340.732 4.052 50 40 EIGB CCO[Si](OCC)(OCC)c1cc2ccccc2c2ccccc12 202873126 WJJDBJYEDVQKGT-UHFFFAOYSA-N 340.495 4.248 50 40 EIGB COc1ccc(/C=C(/C#N)Sc2nc3ccccc3[nH]2)c(OC)c1 408598957 LZBIRAOKHISHEQ-ZROIWOOFSA-N 337.404 4.237 50 40 EIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccccc1Cl 408993655 DWUYSQHRKVQKAP-RGVLZGJSSA-N 341.798 4.104 50 40 EIGB O=C(CCl)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 2573411 QLKZFHMPHYXUNF-UHFFFAOYSA-N 348.855 4.057 50 40 EIGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N1CCCC1 7749912 MROQDJGUFGOJRP-SAPNQHFASA-N 334.419 4.158 50 40 EIGB Cc1ccc2[nH]c(/C(C#N)=C\c3cn(CC#N)c4ccccc34)nc2c1 106113013 FIXYXMQCDUIDTP-PTNGSMBKSA-N 337.386 4.414 50 40 EIGB C[C@H]1CC[C@@H](C(=O)O[Si](C)(C)C)/C(=C(\C#N)O[Si](C)(C)C)C1 255190409 XCJIILCOJXPBCB-QUFAOJHZSA-N 339.584 4.430 50 40 EIGB COc1cc([C@@H](Cl)C(Cl)(Cl)Cl)cc(OC)c1OC 162794 CKHRLZJNSCRUME-SNVBAGLBSA-N 334.026 4.363 50 40 EIGB CCO[P@](=O)(C#CC(C)(C)C)[C@](O)(CCl)c1ccccc1 2320666 IWNCGMNEXLVFHJ-IIBYNOLFSA-N 328.776 4.392 50 40 EIGB N#C/C(=C\c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2 5069621 VQLPTXYTGCHOEL-JLHYYAGUSA-N 332.329 4.087 50 40 EIGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 33653065 XHBFDBBTUMAKCX-QXPQOBGOSA-N 336.391 4.115 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)o1 39127383 KIUWMVSOAWUGCM-RAXLEYEMSA-N 343.814 4.325 50 40 EIGB O=C(N/N=C/c1ccncc1)c1ccc(CSc2ccccc2)cc1 59473794 BMOCHPNRDBAWMG-HYARGMPZSA-N 347.443 4.138 50 40 EIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1 371546 IZOMIQZNOSWCMY-IQGJIOQQSA-N 329.403 4.261 50 40 EIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(Cl)cc1 59379 WYFWPEBPNNNBGU-VXLYETTFSA-N 332.856 4.032 50 40 EIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CC(C)C)c2C)c1 20247456 SRLDORWFAMRZKZ-CIAFOILYSA-N 325.456 4.207 50 40 EIGB Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)NC(C)C)c1 408773297 HXMFGIGQEBMKGI-UNOMPAQXSA-N 334.419 4.006 50 40 EIGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1C 408959727 DTJBSNVISDHIOH-RGEXLXHISA-N 345.446 4.449 50 40 EIGB CC(C)(C)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1 369995 WQGSKXABIQBQMZ-UHFFFAOYSA-N 345.830 4.104 50 40 EIGB Cc1ccccc1C(=O)N/N=C/C=C1/N(C)c2ccccc2C1(C)C 3124668 GKMACJLGCYUOAM-QTLAEQSKSA-N 333.435 4.022 50 40 EIGB CSc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 58916032 QPESHNQJLDYTDQ-QGOAFFKASA-N 330.478 4.041 50 40 EIGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1 408565805 AQEVKUUVAHMDCF-PXLXIMEGSA-N 338.451 4.076 50 40 EIGB CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC 5399426 IMPIIWNQBNZREK-RVDMUPIBSA-N 333.391 4.424 50 40 EIGB O=C(/C=C/c1ccccc1)c1ccc2c3c(cccc13)C(=O)OC2=O 103437335 LAFJLBVIUYXSFT-FMIVXFBMSA-N 328.323 4.047 50 40 EIGB Cc1cc(NC(=O)CSC#N)cc2nc(-c3ccc(F)cc3)oc12 216855997 PLMWWBXQHZSFKH-UHFFFAOYSA-N 341.367 4.095 50 40 EIGB C=CCn1c(C)c(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc21 408818703 QEYYWKJRRHHNEV-SFQUDFHCSA-N 344.418 4.196 50 40 EIGB CCCC(CCC)=NNC(=O)CSc1nc2ccccc2s1 4719029 SOHFDDSNERNOOA-UHFFFAOYSA-N 335.498 4.461 50 40 EIGB O=C(CSc1nc2ccccc2s1)NN=C1CCCCCC1 8227500 YJJPSZYYKARJES-UHFFFAOYSA-N 333.482 4.215 50 40 EIGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(C)cc2s1 20132862 ZUQPIVVFHYGOBR-SNVBAGLBSA-N 341.274 4.497 50 40 EIGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(Cl)nc2ccccc12 556267 CHTWWQVCRRSFEP-UHFFFAOYSA-N 328.711 4.016 50 40 EIGB COc1ccc(/C=C/C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 1098671 KKQDNJXCHBSDBB-ZMAJVBOJSA-N 349.217 4.166 50 40 EIGB Fc1c(Br)cc(Br)cc1CBr 2506856 IWBDUXGHVULJEN-UHFFFAOYSA-N 346.819 4.246 50 40 EIGB COc1ccc(/C(Cl)=C/C2C(C#N)=C(C)NC(C)=C2C#N)cc1 19944804 YJRDFNRCZAGIEQ-LSCVHKIXSA-N 325.799 4.089 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc2ccccc2n1 342539 LHOVIZDNDLKXDP-KEBDBYFISA-N 344.201 4.306 50 40 EIGB COC(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 520027 NJFAFTCVYWXCCK-KEBDBYFISA-N 341.798 4.033 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1cccc(Cl)c1Cl 2643794 HYPYAGVARWENJV-KPKJPENVSA-N 335.190 4.393 50 40 EIGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1ccccc1 6571357 CWWLHHGQFFMVLR-ATVHPVEESA-N 349.409 4.280 50 40 EIGB CCOc1cc2c(cc1/C=C(\C#N)c1nc(C)cs1)O[C@H](C)C2 20621139 JVWASCOHMOYSKC-BYQGBLLGSA-N 326.421 4.238 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Br)cc1 59474976 BJVLDWZIAQWRJT-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1C 77358252 WNDSLFHQMVDJRQ-GDNBJRDFSA-N 327.815 4.324 50 40 EIGB Cc1cccc(CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)c1 409126254 FCWDVHLCWVCWRR-CQSZACIVSA-N 340.473 4.329 50 40 EIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1C 210891 JXHGDGRUSQPSFC-FQEVSTJZSA-N 342.398 4.375 50 40 EIGB COc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)c1 59679373 FMHDVFMDERKVLT-SSZFMOIBSA-N 343.386 4.032 50 40 EIGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2F)cc1 216069577 JNOAIODVEWKXBY-KGENOOAVSA-N 328.387 4.077 50 40 EIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Cl 409013281 MPTJSSIBEMTOOU-HADWXUJASA-N 344.842 4.210 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1Cl 59389 QLYUWXGMXJAFFV-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB N#C/C(=C/c1cc2c(cc1Cl)OCO2)c1cccc([N+](=O)[O-])c1 33658204 QQHQTKLTSFFRRT-QCDXTXTGSA-N 328.711 4.041 50 40 EIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccccc1 409008560 XXFUBPLYEZFSIO-KQWNVCNZSA-N 346.430 4.321 50 40 EIGB COc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 59494 RUYTUPUOQZNKOJ-PXLXIMEGSA-N 346.386 4.251 50 40 EIGB COc1cccc(C(=O)/C(C#N)=C\c2ccc(Br)cc2)c1 33470215 PXZQJUJPOXXNPQ-ZROIWOOFSA-N 342.192 4.248 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1 48333057 IYJVGMROKLPBMD-BOPFTXTBSA-N 348.402 4.051 50 40 EIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408788603 LNBHGLDXRMHQOP-YRNVUSSQSA-N 333.174 4.245 50 40 EIGB CC(C)OC(=O)c1c(NC(=O)CCCl)sc2c1CC[C@@H](C)C2 2085657 ULEKZGIWWKCJKL-SNVBAGLBSA-N 343.876 4.006 50 40 EIGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(Br)cc1 3193080 LPGHRLZTLNJDKI-UHFFFAOYSA-N 326.197 4.287 50 40 EIGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 3330444 APXWPBGKWHLMBU-KPKJPENVSA-N 329.699 4.221 50 40 EIGB O=C(N/N=C/c1ccccc1)c1ccc(NCc2ccccc2)cc1 4045356 SSVVWERTTKOFEJ-XQNSMLJCSA-N 329.403 4.063 50 40 EIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C 4544396 LTNNRXLUPJTEIZ-MMVIWPHWSA-N 346.858 4.341 50 40 EIGB Brc1cncc([C@H](Br)c2ccccc2)c1 40279737 DMGMTLGBBMAZML-GFCCVEGCSA-N 327.019 4.328 50 40 EIGB CC1=CC(=O)C=C/C1=N\c1ccc(N(CCCl)CCCl)cc1 101225106 LFWSLDLFKNVKPN-LVZFUZTISA-N 337.250 4.128 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)o2)cc1 408814602 GBICAAXOPVAROQ-SSZFMOIBSA-N 337.423 4.234 50 40 EIGB O=C(N/N=C/C(c1ccccc1)c1ccccc1)c1ccccc1F 4976974 YNIHJRPBRBXVMS-HZHRSRAPSA-N 332.378 4.373 50 40 EIGB CCOc1ccc(CC(=O)N/N=C(\C)c2cccc3ccccc23)cc1 10475876 UHTAAHDVSHVLEB-XQNSMLJCSA-N 346.430 4.321 50 40 EIGB Cc1ccccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 59116640 FIHAQMMUQBUNJC-XNTDXEJSSA-N 347.443 4.353 50 40 EIGB N#Cc1c(NC(=O)CCl)sc2c1CC[C@@H](c1ccccc1)C2 74941625 VHXORCUCQFTNBZ-GFCCVEGCSA-N 330.840 4.070 50 40 EIGB COc1cc(C)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570418 UUTYZAWJFNAIEQ-QPEQYQDCSA-N 337.354 4.092 50 40 EIGB COc1ccccc1NC(=O)NN(Cc1ccccc1)c1ccccc1 2654179 PTOPVCIWXXCDDX-UHFFFAOYSA-N 347.418 4.439 50 40 EIGB CCOc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 5465377 WZGZLKLAESHVDQ-VXLYETTFSA-N 337.206 4.156 50 40 EIGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC 33471243 FBBKDZJMUSKAKO-QPEQYQDCSA-N 344.754 4.330 50 40 EIGB Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12 1429102 XNHYUXWWXRLJHC-ZVHZXABRSA-N 339.398 4.339 50 40 EIGB CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 3338640 GOJCEZCVTLHEQO-RCCKNPSSSA-N 340.423 4.115 50 40 EIGB CC1(C)CC(=O)C2=C(C1)N1CCSC1=C(C#N)[C@@H]2c1ccccc1 95117461 IWKMROSASZQSNH-KRWDZBQOSA-N 336.460 4.211 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c(C)c1 409000253 YADLSDOJZQGNAR-UCQKPKSFSA-N 345.446 4.475 50 40 EIGB CCn1c(C)c(/C=N/NC(=O)Cc2cc(C)ccc2C)c2ccccc21 409363089 KXVRFTKJZVLLRF-OEAKJJBVSA-N 347.462 4.279 50 40 EIGB N#C/C(=C\c1ccccc1O)C(=O)Nc1ccc(Cl)cc1Cl 141778 GBMHNNWOYUBZOX-YRNVUSSQSA-N 333.174 4.245 50 40 EIGB Clc1ccc(Cl)c(/N=C2\NC[C@@H](CBr)S2)c1 292374 HOGUNOVSEYWCSR-SSDOTTSWSA-N 340.073 4.081 50 40 EIGB CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@H]2c1cccnc1 4708480 AASLEMIVNNHZNC-GOSISDBHSA-N 345.402 4.032 50 40 EIGB C/C(=N/NC(=O)c1ccc(COc2c(C)cccc2Cl)o1)C1CC1 8510674 FRUMASQOXVXQAD-NDENLUEZSA-N 346.814 4.336 50 40 EIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc2ccccc2c1 8520832 OEMIRMSSTPIKQM-OEAKJJBVSA-N 340.382 4.463 50 40 EIGB Cc1ccccc1OCCn1cc(C=C(C#N)C#N)c2ccccc21 379053 XCZOAHSREBKVBM-UHFFFAOYSA-N 327.387 4.459 50 40 EIGB CC[C@@H](Br)C(=O)Nc1nc2cc(C)c(C)cc2s1 20132207 ZHWKZBKCRVWYMD-SECBINFHSA-N 327.247 4.025 50 40 EIGB O=[N+]([O-])c1ccccc1S[C@H]1[C@@H](Br)[C@@H]2CC[C@@H]1C2 100693859 KKOQEMZGKXRRQE-MNUQUWEESA-N 328.231 4.249 50 40 EIGB Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 135760289 NHGOFKPVMMYDCR-JAIQZWGSSA-N 341.798 4.104 50 40 EIGB Cc1cc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)ccc1Cl 566287 KLZVMGCKPCABEF-SRZZPIQSSA-N 344.842 4.301 50 40 EIGB CC(C)n1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21 5478633 UGUTVTQEAALYCK-LDADJPATSA-N 343.430 4.446 50 40 EIGB N#C/C(=C/c1ccccc1Br)c1cccc([N+](=O)[O-])c1 6884313 HEWWWJHDISWREA-JYRVWZFOSA-N 329.153 4.421 50 40 EIGB CCOc1ccc(OCCCC(=O)NNc2ccc(Cl)cc2)cc1 8231677 XCEABQZQDNZNFK-UHFFFAOYSA-N 348.830 4.041 50 40 EIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3cccc(O)c3)sc2c1 33318500 PSVJXCPLQPUQOL-OCKHKDLRSA-N 344.823 4.333 50 40 EIGB CCc1ccc(CC(=O)N/N=C(\C)c2cccc3ccccc23)cc1 409361257 BUJBKESQLDAWNH-XQNSMLJCSA-N 330.431 4.485 50 40 EIGB O=C(CCCCBr)c1c(F)c(F)c(F)c(F)c1F 575358515 BUUITPZQXVFTAP-UHFFFAOYSA-N 331.078 4.130 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 20248049 CVQJDNYWDZSOCN-AUQXIXNCSA-N 342.464 4.106 50 40 EIGB C[C@H]1CCC/C(=N\NC(=O)c2ccc(COc3ccccc3)o2)C1 34862181 IOJCPGMQPPFXLX-SPPQWUQUSA-N 326.396 4.155 50 40 EIGB O=C(CCCC[C@H]1CCSS1)Nc1cccc(-c2nc[nH]n2)c1 79488579 WKEYSCFOWSINOC-AWEZNQCLSA-N 348.497 4.124 50 40 EIGB Cc1ccccc1NC(=O)N/N=C/c1ccc(N2CCCCC2)cc1 6896023 UVAFRVZQEFLSII-RCCKNPSSSA-N 336.439 4.141 50 40 EIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 8043126 CRDRGGHBNRREMO-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)NC1CCCC1 58536703 GALHOTODNWQQAH-LGMDPLHJSA-N 332.403 4.445 50 40 EIGB N#C/C(=C/c1ccco1)c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 96844001 KSAORBZGPWITLZ-ZROIWOOFSA-N 347.399 4.352 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(O)c1 408746797 VUXDTMXNVHBBAF-ATVHPVEESA-N 349.434 4.093 50 40 EIGB C=CCn1cc(/C=N/NC(=O)Cc2cc(C)ccc2C)c2ccccc21 409361427 HFYPAXDBFKCKAW-OEAKJJBVSA-N 345.446 4.137 50 40 EIGB Cc1ccsc1/C=N/NC(=O)CSCc1ccc(Cl)cc1 368193 CVVZBMSDTLBBMR-CAOOACKPSA-N 338.885 4.093 50 40 EIGB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCl)nc12 8428186 XAFHMECFHZEREM-UHFFFAOYSA-N 330.840 4.377 50 40 EIGB N#CC(C#N)=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 16384372 PRKHJGBSXUPAFR-UHFFFAOYSA-N 344.124 4.048 50 40 EIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(OC)c1 169878534 POVDHWQCWTTZDO-HYARGMPZSA-N 348.402 4.011 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)c1 408745655 OCDXZWKHDHWUOU-XFXZXTDPSA-N 344.773 4.423 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1 408942562 ZIIHNTIRULBCAR-PDGQHHTCSA-N 332.403 4.414 50 40 EIGB CC(C)(C)C1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 409373931 ZRHRRTKUSADDKE-LBPRGKRZSA-N 340.279 4.336 50 40 EIGB Cc1ccc([C@H](NC(=O)N2CCCCC2)C(Cl)Cl)cc1F 3205496 BBJQNOWOFWDXDM-ZDUSSCGKSA-N 333.234 4.174 50 40 EIGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1cc(C)ccc1C 4321618 LUAKHPQNGJUTMC-BZIJUTMKSA-N 348.446 4.444 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(O)c1 4351013 YTESDRRNKUOQGN-RVDMUPIBSA-N 332.407 4.179 50 40 EIGB Cc1ccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1 9013093 QLPPZCUEHYLKOU-QGZVFWFLSA-N 334.444 4.267 50 40 EIGB COc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1 61476079 PCSODFITUXEUKV-HNNXBMFYSA-N 325.499 4.026 50 40 EIGB biogenic N#C/C(=C/c1ccco1)c1nc(-c2ccc3c(c2)OCCO3)cs1 96794868 SSRUOTSMTPHYHB-JYRVWZFOSA-N 336.372 4.238 50 40 EIGB CCO[C@@H]1C[C@](F)(C(F)(F)F)[C@](F)(C(F)(F)F)C[C@@H]1Cl 215670573 SLTXLYZUZLOALQ-FKSUSPILSA-N 334.634 4.334 50 40 EIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc3ccccc3c2)c1C 12859101 DHSFGSVPVBQGLY-YDZHTSKRSA-N 346.430 4.294 50 40 EIGB CN(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 70494 ZDXUDWFUBQRHEL-NTEUORMPSA-N 327.771 4.378 50 40 EIGB Cn1c(C(=O)N/N=C/CCc2ccccc2)cc2cc(Cl)ccc21 4682604 WLLXIKBDOMFRLO-SRZZPIQSSA-N 339.826 4.180 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)CSc1ccc(C)cc1 58674948 HBHHKEUVWMHRBV-CAPFRKAQSA-N 326.465 4.212 50 40 EIGB Cc1csc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)n1 102276162 HBTQDTFXMKZAES-UVTDQMKNSA-N 345.474 4.066 50 40 EIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1ccccc1C 408962564 ZFGDXNUVDFIOIA-STZFKDTASA-N 336.439 4.059 50 40 EIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl 260405 MOTNRAYXMMCECS-AWQFTUOYSA-N 332.190 4.239 50 40 EIGB CCNC(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)c(Cl)c1 41157488 MYNPVWGVNFUIMU-GXDHUFHOSA-N 326.783 4.175 50 40 EIGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc2ccccc2c1 54883591 ZPIILERYFNYIQV-SRZZPIQSSA-N 326.758 4.396 50 40 EIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1 408542440 JMWNIYPNKZXODN-QPEQYQDCSA-N 328.711 4.011 50 40 EIGB COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408871882 YTVKUIDCYHCVGT-WUXMJOGZSA-N 330.746 4.033 50 40 EIGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc2ccccc2c1 259321 ANJWAAUNEAGOOI-RQZCQDPDSA-N 342.354 4.114 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1cc(Cl)ccc1Cl 2643745 VTQYNBLCPPXOCY-WUXMJOGZSA-N 335.190 4.393 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1 6999044 IULPEZMDZCGUBE-VLRJIAOHSA-N 328.456 4.142 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408963344 NIFJOQANNOQCCA-LSHDLFTRSA-N 345.324 4.259 50 40 EIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1Cl 409009781 BXNKGQQPPINPMT-KIHMUJGBSA-N 348.805 4.420 50 40 EIGB CCc1ccc(CC(=O)N/N=C/c2c(C)n(CC)c3ccccc23)cc1 409365665 VPXYNLYPMGNMJG-HZHRSRAPSA-N 347.462 4.225 50 40 EIGB CCSC1=C(C#N)[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)N1 387006 RLXFMEPBWYKMPE-ROUUACIJSA-N 334.444 4.172 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C 7158028 OBCHWKMOSDQGQY-NOHAQXPHSA-N 348.446 4.450 50 40 EIGB CC(C)(C)OC(=O)NNC(=O)c1cc2sc3ccccc3c2s1 17398934 YUOAOZHHLUFZQT-UHFFFAOYSA-N 348.449 4.286 50 40 EIGB N#C/C(=C/c1ccccc1O)C(=O)Nc1cc(Cl)ccc1Cl 33289417 BMSWISUYMAAGTL-XFFZJAGNSA-N 333.174 4.245 50 40 EIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)cc1 408815117 ULZXGDVCMMKMMM-AQTBWJFISA-N 348.446 4.216 50 40 EIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 408837252 AXQYPZZAUMKIMB-RGVLZGJSSA-N 330.815 4.139 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 16410899 IEWTUUSAXXMZGA-FTCPRDFBSA-N 326.440 4.077 50 40 EIGB N#C/C(=C\c1cc(F)ccc1F)C(=O)c1c[nH]c2cc(F)ccc12 40139925 KGDIKBJEJSZFIS-VZUCSPMQSA-N 326.277 4.375 50 40 EIGB C[Si](C)(C)OP(=O)(CN1CCCCC1)CN1CCCCC1 195783649 PALQSRXDNXFBGV-UHFFFAOYSA-N 332.501 4.003 50 40 EIGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 63068 DUUXXKZLGSTGFQ-GOSISDBHSA-N 347.443 4.053 50 40 EIGB aggregator O=C(N/N=C/c1sc2ccccc2c1O)c1ccccc1Cl 266435 SUVPFDJQJOQWIX-GIJQJNRQSA-N 330.796 4.024 50 40 EIGB O=C(CCl)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3199843 DRPNORDZXGOFSV-UHFFFAOYSA-N 339.178 4.020 50 40 EIGB C/C(=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccco1 13119896 XUYYGTIWLSKZCH-CCQQXMDGSA-N 344.414 4.126 50 40 EIGB CCOc1cc2c(cc1/C=C(\C#N)c1nc(C)cs1)O[C@@H](C)C2 20621141 JVWASCOHMOYSKC-FCGPPKDQSA-N 326.421 4.238 50 40 EIGB Cc1sc(-c2ccco2)nc1C(=O)NNc1cccc(Cl)c1 30807371 JDJGTVAJCGUQJY-UHFFFAOYSA-N 333.800 4.122 50 40 EIGB C=C[C@@H]1CCP(c2ccccc2)(c2ccccc2)(c2ccccc2)O1 97950006 IZINUVWIMZTZSC-HXUWFJFHSA-N 346.410 4.406 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccccc1)c1ccccc1 409243656 ZKCBCGNHVHNOCO-JFPYRBRCSA-N 341.414 4.262 50 40 EIGB C[C@@H]1C/C(=N\NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 5020071 VSHSEHFGVCUMLK-VVLNONDKSA-N 337.261 4.381 50 40 EIGB N#C/C(=C\c1cc(Br)ccc1O)c1nc2ccccc2[nH]1 13467620 RHPXRRFRODYPRJ-YRNVUSSQSA-N 340.180 4.095 50 40 EIGB N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1ccc(F)cc1 408848477 ZGGORYTZBMIYBI-QPEQYQDCSA-N 331.730 4.007 50 40 EIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Cl)s3)cc2c1 409187840 UYCUVUMMHGTJGV-NVMNQCDNSA-N 348.811 4.310 50 40 EIGB COc1ccc(N/C=C(\C#N)c2nc3ccccc3s2)c(OC)c1 2666295 AQIGLVNVLCFKJP-VAWYXSNFSA-N 337.404 4.290 50 40 EIGB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C1/CCCC[C@@H]1C 32705955 PMKUZKGORSUFBG-CRAJUXGLSA-N 344.484 4.116 50 40 EIGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 408962271 XWVCMCUMWJNJAX-LGMDPLHJSA-N 349.409 4.280 50 40 EIGB COc1ccc(-n2c(SCCCl)nnc2-c2ccccc2)cc1 1581248 WXGUXAHSZQBALH-UHFFFAOYSA-N 345.855 4.274 50 40 EIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4175623 IRVFZWIZZPZKQB-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB O=C/C(=C\Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2o1 5379959 FPIUKJUPWDSMEA-CSKARUKUSA-N 343.726 4.041 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 16410898 IEWTUUSAXXMZGA-NKMORCDDSA-N 326.440 4.077 50 40 EIGB N#C/C(=C/Nc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 57414140 ROANJKLZEGREIU-KHPPLWFESA-N 332.190 4.451 50 40 EIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1 4354931 MTCIIUCKROEZBG-XZOAIXRZSA-N 348.837 4.180 50 40 EIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C 4544394 LTNNRXLUPJTEIZ-QAZQYGAVSA-N 346.858 4.341 50 40 EIGB N#CC(=C1CCCCC1)c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 14166210 BHAGLXRBEOOJDU-UHFFFAOYSA-N 337.404 4.486 50 40 EIGB CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2669700 GVNHVFKXHFNMPQ-LQELWAHVSA-N 340.335 4.103 50 40 EIGB N#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4174941 PSGORMPWXFHBDD-ZROIWOOFSA-N 349.371 4.488 50 40 EIGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(/S)Nc1ccccc1 4863855 JPUUTYUDSJWQEF-PEZBUJJGSA-N 329.812 4.056 50 40 EIGB Cc1ccccc1[C@@H]1CC(=O)NC(SCc2ccccc2)=C1C#N 9324588 HDBOGWPOHOTWDZ-KRWDZBQOSA-N 334.444 4.267 50 40 EIGB C=CCOc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c1 83297312 OCTHEEQBHOYEOE-JAIQZWGSSA-N 349.217 4.322 50 40 EIGB FC(F)(F)C(F)(F)C(F)(F)CCCI 2510681 BTBGQPOTSDSDLN-UHFFFAOYSA-N 338.004 4.035 50 40 EIGB C[C@H]1C/C(=N\NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 5020073 VSHSEHFGVCUMLK-KEVMXDQOSA-N 337.261 4.381 50 40 EIGB Cc1ccccc1-c1nc2cc(NC(=O)CSC#N)cc(C)c2o1 216855600 XQOTVRLDYZSIKA-UHFFFAOYSA-N 337.404 4.264 50 40 EIGB C/C(=N\NC(=O)c1cc(Cl)ccc1O)C12CC3CC(CC(C3)C1)C2 13136819 XXCBCFIKWJSURA-SRZZPIQSSA-N 346.858 4.368 50 40 EIGB CCCCc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1 49003763 SIGCPSYJOXAZEA-UHFFFAOYSA-N 338.432 4.320 50 40 EIGB COc1cc(-c2noc(CCl)n2)ccc1OCc1ccccc1 72220492 IRNGUOQWYPDLFX-UHFFFAOYSA-N 330.771 4.063 50 40 EIGB N#C/C(=C/Nc1ccccc1C(=O)O)c1nc2cc(Cl)ccc2o1 2026334 FLOJDPJZHYYNQQ-KTKRTIGZSA-N 339.738 4.156 50 40 EIGB CC1CCC(=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 4155593 SZVMEMRIEKRKFI-RRKGBCIJSA-N 343.254 4.443 50 40 EIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1OC 5953763 ZKFDNFGFPWCHRN-HYARGMPZSA-N 348.402 4.011 50 40 EIGB N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59133230 NMGUISHIGSQSRC-WQLSENKSSA-N 334.272 4.390 50 40 EIGB N#CC(C#N)=C(Nc1ccc(F)cc1)SCC(=O)c1ccccc1 2272979 BYTVQGOZTDITOR-UHFFFAOYSA-N 337.379 4.112 50 40 EIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/C1CCCCC1 5943873 PIZRNDOHGZQDRD-GIJQJNRQSA-N 329.227 4.055 50 40 EIGB COc1cc(Cl)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 6145513 GAZLEIIHVOUISI-MLPAPPSSSA-N 344.754 4.330 50 40 EIGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(F)cc1 8812290 LPZVVUTXEIDNEV-RGVLZGJSSA-N 334.778 4.032 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 15219931 CGHMTFJADPDIQD-JXAWBTAJSA-N 333.435 4.387 50 40 EIGB CC(=O)c1ccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 57414132 NNHWTUHRFKMAQS-KAMYIIQDSA-N 339.782 4.001 50 40 EIGB CN(Cc1cccc(Cl)c1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1 72242694 NZIKFKMLJPNPKE-CAOOACKPSA-N 327.771 4.245 50 40 EIGB N#C/C(=C\c1ccccc1-n1cccn1)C(=O)c1c[nH]c2ccccc12 96035786 MXQSXORJDCMWLR-FOWTUZBSSA-N 338.370 4.143 50 40 EIGB COc1cccc(C(=O)/C(C#N)=C\c2cc(Br)cs2)c1 96669739 QMHBSWBKJGQIMY-WDZFZDKYSA-N 348.221 4.309 50 40 EIGB CCN1c2ccc(/C=N\NC(=O)c3ccco3)cc2[C@@H](C)CC1(C)C 223529770 TYAXSCMGBWZPLG-DTHVTWRFSA-N 339.439 4.156 50 40 EIGB O=C(N/N=C\c1cc(Br)cs1)c1cc2ccccc2o1 408956126 YTARKCPYQXRENJ-APSNUPSMSA-N 349.209 4.021 50 40 EIGB Cc1[nH]c2ccc(C(=O)NN=C3C4CC5CC(C4)CC3C5)cc2c1C 501448 MXYOIQWUPHBGSP-UHFFFAOYSA-N 335.451 4.327 50 40 EIGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 4705362 CHVHLSQDXLMOTR-CSKARUKUSA-N 335.190 4.249 50 40 EIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 5475373 WVTPPOZROMWZSD-SDNWHVSQSA-N 326.783 4.284 50 40 EIGB O=C(N/N=C\c1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 33328395 NCXDTSYWWMBYHB-FBHDLOMBSA-N 332.281 4.216 50 40 EIGB O=C(N/N=C/c1cccc(O)c1)c1sc2ccccc2c1Cl 585198 GTVNBZDPQYHBLN-GIJQJNRQSA-N 330.796 4.024 50 40 EIGB CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2669704 IUCVSKOYLIPOBH-LQELWAHVSA-N 340.335 4.103 50 40 EIGB O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1Cl)c1ccccc1 4194506 HXTOJBLHWHAHPQ-MSOLQXFVSA-N 343.835 4.153 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccs3)c2C)cc1 6332426 LWCABSZERUMZQH-UDWIEESQSA-N 337.448 4.228 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1 59399136 BVJFASIEAHCAPV-QBFSEMIESA-N 343.814 4.325 50 40 EIGB O=C(N/N=C/c1cc2cc(Cl)ccc2nc1Cl)c1ccccc1 408728553 ONOVQNMGNSIROP-KEBDBYFISA-N 344.201 4.306 50 40 EIGB O=C(NN(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 175805 AZLTYKDCOORQAV-UHFFFAOYSA-N 333.347 4.078 50 40 EIGB C/C=C1\C[N@+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 245377501 LQDGJFHWZHMWLV-KOIMLADJSA-O 349.498 4.172 50 40 EIGB O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 573593 UGNKXEHFGGVWAI-HYARGMPZSA-N 336.366 4.169 50 40 EIGB O=S(=O)(SC(Cl)(Cl)Cl)c1ccc(Cl)cc1 1867130 UKWGQHCFOGPGMG-UHFFFAOYSA-N 326.053 4.090 50 40 EIGB C/C(=N/NC(=O)CNc1c(C)cccc1C)c1ccc2ccccc2c1 4077098 QPGXAHKVBIBZAV-ULJHMMPZSA-N 345.446 4.409 50 40 EIGB Cn1c(SCCCCl)nnc1-c1ccc(C(F)(F)F)cc1 113697827 MVGIHUANEKVSMB-UHFFFAOYSA-N 335.782 4.222 50 40 EIGB N#C/C(=C\c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 1932457 SUQNCNDCHDODIH-GXDHUFHOSA-N 333.416 4.044 50 40 EIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 5712897 LDAXMGJVWQKXLP-GXDHUFHOSA-N 326.783 4.284 50 40 EIGB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)C(C)C 40139977 KXZBYGQUNSUZGH-CXUHLZMHSA-N 341.842 4.334 50 40 EIGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccc2ccccc2n1 48325170 FHAXCEQRLUUFPT-CYVLTUHYSA-N 341.414 4.136 50 40 EIGB CCc1ccccc1N/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 57414100 AWKRHRNPNPDOQO-OWBHPGMISA-N 325.799 4.360 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c2ccccc21 408870074 RTEYCDVMZMWIFZ-BUBCTMACSA-N 349.478 4.412 50 40 EIGB CC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2c(ccc3ccccc23)O1 349957 QAFFESXRWSIJFA-FQEVSTJZSA-N 340.382 4.235 50 40 EIGB COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1 20243988 YWDCIRWVGZPLSD-PXLXIMEGSA-N 346.386 4.251 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC 33732161 QJVGRHYNCMWZPG-BOPFTXTBSA-N 337.375 4.246 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 408787021 PRMGBTMAIMVHAV-LCYFTJDESA-N 344.773 4.423 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)cc1C 408815137 IMJFPPJVYODDBP-LFIBNONCSA-N 329.403 4.341 50 40 EIGB COc1cc(C)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1C(C)C 4893934 OKNDKFCNHNKPJC-YBEGLDIGSA-N 326.440 4.093 50 40 EIGB C[C@H]1CCC/C(=N\NC(=O)COc2ccccc2-c2ccccc2)C1 5164323 ISLIKUXABFNZFI-KDCJFMNISA-N 336.435 4.415 50 40 EIGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(F)cc1 58915586 MJFXNRLAZWPHEV-RCCKNPSSSA-N 344.455 4.216 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc2ccccc2c1 408598935 LNSUTQSXSKZAAM-LPYMAVHISA-N 327.387 4.393 50 40 EIGB Nc1cc2c(cc1Br)-c1ccccc1[C@H]2Br 1726051 CGQHQVXXEZHZKC-CYBMUJFWSA-N 339.030 4.496 50 40 EIGB C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1ccc2ccccc2c1 33695430 NBLSAEYWNWPBEX-JCMHNJIXSA-N 331.419 4.060 50 40 EIGB CCCCCC1=CCC/C1=N\NC(=O)c1nnc(-c2ccccc2)o1 102122252 YWJRHAKKBXYWOT-CAPFRKAQSA-N 338.411 4.123 50 40 EIGB N#C/C(=C\c1cccc(O)c1)C(=O)Nc1cccc(Cl)c1Cl 1090849 OEVMENPKIHIHHY-YRNVUSSQSA-N 333.174 4.245 50 40 EIGB O=P(CC[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1 1728324 AWRAXOQHOQETCY-NRFANRHFSA-N 336.371 4.124 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccc(Cl)cc1 7165391 CYFZDEKBMTWQRP-MHWRWJLKSA-N 341.842 4.179 50 40 EIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 13842599 PGUCUKLBAVQZBV-FYJGNVAPSA-N 343.858 4.259 50 40 EIGB CCn1c(C)c(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 561440 QCZWMMJYWLRKJM-PXLXIMEGSA-N 333.435 4.053 50 40 EIGB CCOc1ccccc1/C=N/NC(=O)c1cc2cccc(C)c2nc1C 4525851 ULVIGWGDARKNGJ-LPYMAVHISA-N 347.418 4.014 50 40 EIGB CCc1ccc(OC(C)(C)C(=O)N/N=C/c2ccccc2Cl)cc1 221571 DXHWWOYUVSVNFS-FYJGNVAPSA-N 344.842 4.210 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(OCC)c1 495938 TUUAAGRAIOHAFN-WJDWOHSUSA-N 338.363 4.456 50 40 EIGB CCOC(=O)/C(C#N)=C1/C=C(c2ccccc2)Oc2ccc(C)cc21 1916624 ZYMQPADCFSCLJQ-VLGSPTGOSA-N 331.371 4.269 50 40 EIGB CCN1C(=O)/C(=C(/C#N)c2nc3ccccc3s2)c2ccccc21 4979163 OKNOPRGLPSYXOL-LGMDPLHJSA-N 331.400 4.097 50 40 EIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 5999254 GKQQNQNSGKANCR-PXLXIMEGSA-N 330.387 4.030 50 40 EIGB CCC[C@@H](Br)C(=O)Nc1nc2c(F)cc(F)cc2s1 20132638 GIJXZLDFZSSINR-SSDOTTSWSA-N 349.200 4.077 50 40 EIGB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2 108369968 PMGDBNIUBJQKNU-LAWJPMAJSA-N 340.305 4.025 50 40 EIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(Br)c1 408905571 ZIUUSXBGCPQGKD-SDQBBNPISA-N 345.152 4.127 50 40 EIGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 48971 OXCKEJFJWMVYQB-SFHVURJKSA-N 347.443 4.053 50 40 EIGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Cl 3272862 WHILVUAIISUSNW-JTQLQIEISA-N 337.828 4.158 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1sccc1Br 6207935 HJOMNIIKPXFJJH-DHZHZOJOSA-N 347.237 4.365 50 40 EIGB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)ccc2O1 214202271 GDYSSVMZDZJIRH-JXCQQFQQSA-N 338.794 4.209 50 40 EIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1 143441 BWFIRXKXOJYBOW-CXUHLZMHSA-N 334.375 4.084 50 40 EIGB CC(C)Oc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 551012 WNSYVVYDYOAKOZ-LPYMAVHISA-N 348.402 4.097 50 40 EIGB CCCCOc1ccc([C@H]2C(C#N)=C(S)NC(C)=C2C(C)=O)cc1 2270569 NKBVDUFLINEQBS-SFHVURJKSA-N 342.464 4.080 50 40 EIGB N#CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104119708 PLDWKZKXQJJRFT-UHFFFAOYSA-N 331.399 4.017 50 40 EIGB O=C(N/N=C(\Cc1cccs1)C(F)(F)F)c1ccccc1Cl 408734542 ZEHOAKSGZPQPNS-XDHOZWIPSA-N 346.761 4.292 50 40 EIGB CCCSC1=C(C#N)[C@H](c2ccccc2OCC)[C@@H](C#N)C(O)=N1 2298639 HSABLHXYGLDNPP-CZUORRHYSA-N 341.436 4.157 50 40 EIGB Cc1nn(-c2ccccc2)c2c1C(=O)CC(C)(C)[C@@H]2Br 3102245 DRDVMPWQNIATID-OAHLLOKOSA-N 333.229 4.229 50 40 EIGB N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1Nc2ccccc2N1 4041799 QUKDCAMPWKFVFM-UHFFFAOYSA-N 345.189 4.205 50 40 EIGB CCOc1cc(C)c(/C=N/NC(=O)c2cccc(F)c2)cc1C(C)C 408855316 LTJQMLZUWNMFAT-WSDLNYQXSA-N 342.414 4.420 50 40 EIGB Cc1ccc(NC(=O)N/N=C\c2ccc(-c3ccc(C#N)cc3)o2)cc1 409016313 GVIXARKFWHDAGL-XKZIYDEJSA-N 344.374 4.282 50 40 EIGB Cc1ccc(C)c(-c2cc(NC(=O)CCl)n(-c3ccccc3)n2)c1 2649917 HDBDWVJFZFZESW-UHFFFAOYSA-N 339.826 4.333 50 40 EIGB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cl)c1ccccc1 3276911 ITPJJMOGJWQKMD-CYBMUJFWSA-N 325.151 4.167 50 40 EIGB O=C(N/N=C\c1ccc(F)cc1Cl)c1ccccc1-n1cccc1 12959033 DBVPPTFQHNIOIA-MTJSOVHGSA-N 341.773 4.034 50 40 EIGB CC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(N1)c1ccccc1C2=O 25329792 GTPHUJDTAZDCBG-KRWDZBQOSA-N 332.790 4.432 50 40 EIGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 38204020 PSVLKMJGVWFLPV-JAIQZWGSSA-N 349.217 4.322 50 40 EIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1 408764062 RLTCVIHJZAHQCV-WSDLNYQXSA-N 334.806 4.356 50 40 EIGB N#CC1=C(SCc2cccc(Cl)c2)NC(=O)C[C@@H]1c1ccco1 409143967 NRLWPHCJVYOVOL-ZDUSSCGKSA-N 344.823 4.205 50 40 EIGB N#CC(C#N)=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 5338059 XAPRVJQZGCOAPE-UHFFFAOYSA-N 348.240 4.077 50 40 EIGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1Cl 33466810 CEPIHXDGGMCOMC-JYRVWZFOSA-N 342.185 4.411 50 40 EIGB C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C)c1ccc(Br)cc1 100251776 OXJOAEKUJZHJBA-FCDSQYCYSA-N 349.272 4.116 50 40 EIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 408808170 FHPIOTIHAHJVSQ-KOOCRQNMSA-N 326.440 4.076 50 40 EIGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1O 409067103 PENSQFTZCUTDHJ-XNTDXEJSSA-N 332.359 4.335 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1Br 6218231 KKSQGAAJKPQVNJ-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)cc1 6496918 DQPSLONFLRFWTE-PTNGSMBKSA-N 342.345 4.396 50 40 EIGB N#C/C(=C\Nc1ccc2nc(O)oc2c1)c1nc2ccccc2s1 16545345 FJGAJTFQPZSAKF-MDZDMXLPSA-N 334.360 4.120 50 40 EIGB COc1ccc(/C=N/NC(=O)N(C=C(Cl)Cl)C(C)(C)C)cc1 32109906 CNVPHMDEGDXGJZ-GIJQJNRQSA-N 344.242 4.116 50 40 EIGB CCCCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)cc1 408737490 SHOWAZFIOHSWPQ-CJLVFECKSA-N 338.451 4.257 50 40 EIGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O 33615031 NVPKAXHWCZIGPX-MLPAPPSSSA-N 344.754 4.417 50 40 EIGB O=C(N/N=C/c1cccs1)c1ccc2c(c1)CN(c1ccccc1)C2 58871982 USQRSPLYPFHDJQ-CIAFOILYSA-N 347.443 4.032 50 40 EIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccc3O)sc2c1 58983797 IPWZRCOXOWPZJQ-OCKHKDLRSA-N 344.823 4.333 50 40 EIGB C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc(C)c(C)c1 409391264 IQTFGKWXEOBXMP-JJIBRWJFSA-N 345.446 4.409 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2)cc1 1912655 NEJYHUHTOYDENA-XMHGGMMESA-N 334.419 4.041 50 40 EIGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(Cl)s1 17071781 MWFAJTUWHYUISN-RGVLZGJSSA-N 343.839 4.412 50 40 EIGB CCCC[Sn]1(CCCC)OO[C@@](C)(CC)O1 195999363 IJWCBELDCCPUTA-WJXVXWFNSA-M 337.048 4.133 50 40 EIGB Cc1cccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1 408786471 QNEVCJYWIOAASZ-VXLYETTFSA-N 332.856 4.032 50 40 EIGB C[C@@]1(CCBr)C(=O)N(c2ccccc2)c2ccccc21 336585 JVPAXPKJDROZCS-KRWDZBQOSA-N 330.225 4.408 50 40 EIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Cl)s1 564009 BWHRYIALRCEDNH-YBFXNURJSA-N 328.824 4.248 50 40 EIGB O=C(N/N=C/c1ccc(F)cc1)C(c1ccccc1)c1ccccc1 580388 YXNGDXMAEAKYPX-HZHRSRAPSA-N 332.378 4.108 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1sccc1Br 6789769 HJOMNIIKPXFJJH-FLIBITNWSA-N 347.237 4.365 50 40 EIGB Br[C@H](c1ccccc1)[C@@H](Br)[n+]1ccccc1 1712257 IJBLPQWDGWUFTG-OLZOCXBDSA-N 342.054 4.004 50 40 EIGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Cl 3272860 WHILVUAIISUSNW-SNVBAGLBSA-N 337.828 4.158 50 40 EIGB Br[C@@H]1CSc2nc3ccccc3n2[C@@H]1c1ccccc1 4115823 XZVHYPKKENGTGN-IUODEOHRSA-N 345.265 4.495 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)CNc1cccc2ccccc12 5221645 HZUTZRIHJUKULC-JJIBRWJFSA-N 345.446 4.377 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1)c1ccccc1 6383255 PIBJZWJVZVEMMJ-YDRQLGOLSA-N 344.336 4.490 50 40 EIGB N#C/C(=C\Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(Cl)c1 57414114 PLLBKRQZSYUEFS-NTCAYCPXSA-N 337.810 4.287 50 40 EIGB CCCCCCCC(=O)N/N=C(/C)c1cccc(NC(=O)C2CC2)c1 97965350 GVXSFYXCLGLWEP-JCMHNJIXSA-N 343.471 4.236 50 40 EIGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O 495924 DLVQRKBEDDPYDV-QPEQYQDCSA-N 344.754 4.417 50 40 EIGB Cc1ccc([C@](O)(CBr)CC(Cl)(Cl)Cl)cc1 1584799 YCELEFDLRQGGND-SNVBAGLBSA-N 346.479 4.338 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OC(F)F)c1ccccc1 3233796 DPIORUXJKGDKAY-XDUBLRSXSA-N 342.345 4.072 50 40 EIGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC(C)C 4342266 VFUAMGQYNTUZGR-LFIBNONCSA-N 347.418 4.433 50 40 EIGB N#C/C(=C\c1ccc(Br)s1)c1nc2ccccc2[nH]1 5068492 JXFZJJDOMSKEBM-VQHVLOKHSA-N 330.210 4.451 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C 7158025 OBCHWKMOSDQGQY-IRRAEJQJSA-N 348.446 4.450 50 40 EIGB CCCCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 100070820 HDEBCDIRXKZYJG-ZBFHGGJFSA-O 334.908 4.058 50 40 EIGB N#C/C(=C1/C=C/C(=N/O)C(Br)=C1)c1ccc(Cl)cc1 102312984 AZBOOVSQUCXHIJ-ZOCPVQLTSA-N 335.588 4.296 50 40 EIGB O=C(CCCBr)[C@H](Br)c1ccccc1F 145593627 IZIMFGUEKSOQNI-LLVKDONJSA-N 338.014 4.006 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(C)C 3377702 FGUQXLFUAPRIIN-LFIBNONCSA-N 336.391 4.028 50 40 EIGB C/C=C1/C[N+]2(CCCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 5585044 LQDGJFHWZHMWLV-XNQRKRPBSA-O 349.498 4.172 50 40 EIGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 20247957 VVKDGYLWFSBLQE-CPNJWEJPSA-N 332.856 4.363 50 40 EIGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccc1F 20248201 ATCFDANHMXLJFJ-YBFXNURJSA-N 336.819 4.112 50 40 EIGB COc1cc(Cl)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 33874092 RYXHHLGIQGZIBI-AUWJEWJLSA-N 343.766 4.120 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccccc1 148322 XLXDASXTOGDUFO-GHRIWEEISA-N 349.411 4.187 50 40 EIGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCCc1ccccc1 3376491 HJQQKNQBTOWQAJ-SDNWHVSQSA-N 345.229 4.259 50 40 EIGB CC/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccccc1 5231277 JUWUDMCVCAFDEN-FCDQGJHFSA-N 331.419 4.182 50 40 EIGB COc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1OC 24362212 SCILOAGSNWPYIH-KPKJPENVSA-N 334.297 4.182 50 40 EIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 33546448 ZFQUKZUJPDINSY-QINSGFPZSA-N 331.331 4.155 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 59473800 QURMHYSCYUBUGH-MDBUFAAASA-N 332.856 4.279 50 40 EIGB O=C(NCc1ccc(Cl)cc1)[C@H](Br)c1ccccc1 96511366 CGTCFAKGTZKYIT-CQSZACIVSA-N 338.632 4.092 50 40 EIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(Cl)cc1 409096719 KUWYQZRBWOUXQX-VXLYETTFSA-N 337.206 4.156 50 40 EIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 409119930 UPOYKHZFRPRIOU-MDBUFAAASA-N 332.856 4.279 50 40 EIGB C/C(=N\NC(=O)c1cc(Cl)ccc1O)c1ccc2c(c1)CCCC2 4812318 CVJKHVXPDXNVAI-CIAFOILYSA-N 342.826 4.078 50 40 EIGB O=C(CCCl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 32936371 SQWGMDVEUFAJOJ-CQSZACIVSA-N 337.206 4.240 50 40 EIGB Cc1ccc(NC(=O)N/N=C\c2ccc(N3CCCCC3)cc2)cc1 408962278 XYFAVXCQYPZAIB-QNGOZBTKSA-N 336.439 4.141 50 40 EIGB C[C@H]1CCc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])cc3)sc2C1 33703006 WOSCIPHMUMEYDC-KWJWQAOWSA-N 325.393 4.240 50 40 EIGB CC(=O)N/N=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12 409016066 SCULZFMATDKRPE-LPYMAVHISA-N 332.403 4.197 50 40 EIGB O=C(N/N=C1\CCCc2ccccc21)c1sccc1-n1cccc1 1398765 NODIPLBFCUGHRQ-CAPFRKAQSA-N 335.432 4.009 50 40 EIGB N#C/C(=C\c1csc(Br)c1)c1nc2ccccc2[nH]1 32789514 WGYDWSQCRFHYGF-BJMVGYQFSA-N 330.210 4.451 50 40 EIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccn3)sc2c1 108645364 QMSVEDJPRRCALI-OCKHKDLRSA-N 329.812 4.022 50 40 EIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1 408775359 GUUGYVRBEOILFS-SSZFMOIBSA-N 337.398 4.218 50 40 EIGB Cc1cc(C(=O)N/N=C\c2ccc3ccccc3c2O)ccc1Cl 409182196 JERCDKCQZPXFTQ-NHDPSOOVSA-N 338.794 4.271 50 40 EIGB Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)c3ccoc3)c2C)cc1 585080788 OSYLPEIPMHFRAW-VXLYETTFSA-N 345.402 4.240 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(Cl)c1OC 6581068 PCUPCMCNHLOXMR-RIYZIHGNSA-N 327.767 4.147 50 40 EIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CCc1ccccc1 408718814 LPMITRXYLDGUQC-XQNSMLJCSA-N 346.430 4.321 50 40 EIGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C 409003261 YXSUALLWMANEJZ-FYJGNVAPSA-N 335.407 4.013 50 40 EIGB N#C/C(=C/c1ccc(F)cc1)c1ccc(I)cc1 409371903 MGTLYXIJLBRGHI-LCYFTJDESA-N 349.146 4.494 50 40 EIGB COc1cc(/C=C(\C#N)c2ccccn2)cc(Cl)c1OC(F)F 7155368 ZBVVMINFEVJFIE-IZZDOVSWSA-N 336.725 4.409 50 40 EIGB CC(/C=C/c1ccccc1F)=N\NC(=O)CSCc1ccccc1 16102359 NSGOUDPGSZNJNF-ZIKJKZHMSA-N 342.439 4.264 50 40 EIGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccccc1 20248780 ROCYUJCFTQDELN-CPNJWEJPSA-N 332.856 4.114 50 40 EIGB O=C(N/N=C/c1cccs1)c1cccc(N2Cc3ccccc3C2)c1 59503606 MLKOUOZHBBRWPW-CIAFOILYSA-N 347.443 4.032 50 40 EIGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)c1 408787043 PVWJCAYWYROJRS-ATVHPVEESA-N 349.434 4.085 50 40 EIGB O=C(CNc1ccccc1F)N/N=C/c1ccc(-c2ccccc2)cc1 3225767 XNEYMFWROCRUFL-ZVHZXABRSA-N 347.393 4.055 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1Cl)[C@@H]1C[C@@H]1c1ccccc1 4473614 TZSWVFPXTOCTJC-UCYOQAJXSA-N 333.218 4.247 50 40 EIGB COc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C 408718919 VRSUZNFLHQQONU-MDHNIREMSA-N 336.435 4.125 50 40 EIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 408804029 CESAAJBMVUMUMP-GXDHUFHOSA-N 331.375 4.031 50 40 EIGB O=C(CCCCBr)c1ccc(OC(F)(F)F)c(F)c1 575360795 ODBYRNMIMQGYAL-UHFFFAOYSA-N 343.114 4.472 50 40 EIGB CC1=C(C#N)c2nc3ccccc3n2[C@H](O)/C1=C\Nc1cccc(C)c1 5337751 MSBLKOPTMIHQDF-NYXAKURHSA-N 342.402 4.142 50 40 EIGB CCCCCCSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 9089348 WSMQLRBMRIQRPL-OAHLLOKOSA-N 332.444 4.478 50 40 EIGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC 408843196 CNYCXXVNZLEORT-HMAPJEAMSA-N 348.402 4.324 50 40 EIGB COc1ccc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc12 45948 ZKWXXONSVHWTMG-CIAFOILYSA-N 338.794 4.266 50 40 EIGB C[C@]12CCCC=C1C(C#N)(C#N)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 4638568 KUTFDNXPJJOTEB-HKUYNNGSSA-N 348.837 4.324 50 40 EIGB CC(C)(C)OC(=O)NN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C 98181641 XUOJLTURJHQTGD-UHFFFAOYSA-N 340.395 4.003 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)cc1 408785647 AGIZPRZWXLEPDG-ZROIWOOFSA-N 326.783 4.154 50 40 EIGB O=C(N/N=C\c1cccn1-c1ccccc1)Nc1ccc(Cl)cc1 408858256 RAEXZNOLQRYYNU-MOSHPQCFSA-N 338.798 4.286 50 40 EIGB CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1 201747 FYLKDLWGTPJDAW-KRWDZBQOSA-N 347.443 4.185 50 40 EIGB Cc1csc(/C(C#N)=C/Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 7697795 XIWAAVFKSREOQQ-ZDIKFAODSA-N 340.477 4.486 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(CC#N)c2ccccc12 408744794 MZGSZYVFBWDWKZ-VBKFSLOCSA-N 340.386 4.019 50 40 EIGB CC(C)n1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)c2ccccc21 409153594 MENCXWPFOIZNJD-QLPFJNHISA-N 349.434 4.140 50 40 EIGB C[C@H](Cl)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 3887977 SPJDINVVWPJKHO-NSHDSACASA-N 330.840 4.453 50 40 EIGB COc1cccc(/C=C(\C#N)c2nc3c(s2)CCCC3)c1OC 5445480 KOHDNSDNXOMICC-JLHYYAGUSA-N 326.421 4.103 50 40 EIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc2cc[nH]c12 5523536 CTNPVCJQHQDMRW-AWQFTUOYSA-N 332.190 4.239 50 40 EIGB CCOC(=O)C(C#N)=C1C=C(c2ccccc2)OC(c2ccccc2)=C1 26771290 HIOHOLMWPFMCNR-UHFFFAOYSA-N 343.382 4.482 50 40 EIGB N#CSCC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)oc2c1 216857249 ZMAMXQVWNYYYTE-UHFFFAOYSA-N 343.795 4.301 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C\C=C\c1ccc(N(C)C)cc1)c1ccccc1 409229452 PEGNJEPRUHSPOL-YWXGQMPZSA-N 345.446 4.093 50 40 EIGB COc1ccc(C(=O)N/N=C/c2c[nH]c3c2ccc2ccccc23)cc1 246058 LNZSMUKGTRGKFW-YDZHTSKRSA-N 343.386 4.094 50 40 EIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl 308002 YPCWLDCJOJHPOX-DJKKODMXSA-N 341.625 4.340 50 40 EIGB CSc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 498028 XAZFQBZNNMOQDM-UDWIEESQSA-N 336.416 4.031 50 40 EIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NCCCc1ccccc1 409238433 ZZNLQQNJMOQKOM-JXAWBTAJSA-N 343.430 4.132 50 40 EIGB Cc1ccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 78658 SLRSJAVIIDBZJA-HYARGMPZSA-N 331.419 4.166 50 40 EIGB C/C(=N/NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)c(Cl)c1 546499 KVBYDQHDPRHUQH-NKVSQWTQSA-N 347.205 4.024 50 40 EIGB CCCSC1=C(C#N)[C@H](c2ccccc2OCC)[C@H](C#N)C(O)=N1 2298640 HSABLHXYGLDNPP-XJKSGUPXSA-N 341.436 4.157 50 40 EIGB N#CC(C(=O)c1cc(Cl)ccc1Cl)=C1Nc2ccccc2N1 4072621 HIKUNCGMGMDKHO-UHFFFAOYSA-N 330.174 4.449 50 40 EIGB N#C/C(=C\c1ccccc1O)C(=O)Nc1cccc(Cl)c1Cl 5215083 ATOXSZJNHFAPDX-DHZHZOJOSA-N 333.174 4.245 50 40 EIGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccccc1Br)C2 5415815 GSFCHKIKFJHWSE-XKDIDDNBSA-N 349.272 4.381 50 40 EIGB CCn1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 40570803 QZIGNNILDIVELX-RGVLZGJSSA-N 325.799 4.079 50 40 EIGB C/C(=N\NC(=O)CCSc1ccccc1)c1ccc(Cl)cc1 408726424 MFUOAUXMBGVFBQ-CPNJWEJPSA-N 332.856 4.363 50 40 EIGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Cl)s1 408963890 AOWHBNQDUYNTSG-GRSHGNNSSA-N 344.823 4.084 50 40 EIGB N#C/C(=C/c1ccccc1Cl)C(=O)Nc1cccc2ncccc12 33783816 VBZAUMSXAODTLH-KAMYIIQDSA-N 333.778 4.434 50 40 EIGB CCCc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)cc1 96669590 OFRXWVVOTHWOFW-PDGQHHTCSA-N 333.387 4.200 50 40 EIGB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCl 3217017 BILODGBZJXOMJJ-UHFFFAOYSA-N 337.828 4.159 50 40 EIGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc(Cl)s2)cc1 4869408 FMFLKXPLPOGUGA-XDHOZWIPSA-N 349.887 4.402 50 40 EIGB C/C(=N/NC(=O)CSCc1ccccc1)c1ccc(Cl)cc1 6644735 QPFCDJISNXUMCZ-UYRXBGFRSA-N 332.856 4.114 50 40 EIGB Cc1cccc(N2C=C(C#N)S(=O)(=O)c3ccc(Cl)cc32)c1C 48987403 APCYJJGSASJZJK-UHFFFAOYSA-N 344.823 4.247 50 40 EIGB CC1(C)Cc2cc(/C=C(\C#N)C(=O)Nc3ccccc3F)ccc2O1 98052717 ABTCIQPAIQJEGN-XNTDXEJSSA-N 336.366 4.085 50 40 EIGB COC1[C@@H](Cl)CC(/C(=C/C2CCCCC2)C(=O)O)C[C@@H]1Cl 6385323 IWQCZEOMZYPGLI-WDVGZSLJSA-N 335.271 4.218 50 40 EIGB O=C(CCl)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1 11692162 LEORIJBMQSCKDM-UHFFFAOYSA-N 348.185 4.291 50 40 EIGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2)cc1 40889275 XHHIPEGPJLBWSC-UNOMPAQXSA-N 334.419 4.006 50 40 EIGB Cc1nc(/C(C#N)=C\c2ccco2)sc1C(=O)Nc1ccccc1 96794860 RCHVJUKLQKIMKF-RAXLEYEMSA-N 335.388 4.361 50 40 EIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C 408802342 ZHMGBPGGWRQJRH-IYSPOMMRSA-N 335.451 4.224 50 40 EIGB CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 13004471 XJDAAWQUBZCJFM-FYWRMAATSA-N 346.390 4.106 50 40 EIGB COc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1C 13465435 ZABYZPJZMMTCCZ-OVCLIPMQSA-N 342.402 4.012 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C\C=C\c2ccccc2)cc1Cl 48344094 FRCDWEZHRZEQEM-OTLSHVCWSA-N 338.794 4.450 50 40 EIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Cl)s1 100383418 ARQGHYKGDIQIGA-WZUFQYTHSA-N 338.823 4.410 50 40 EIGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c(C)c1 6209701 TXNHVIHYDRVRCU-MHWRWJLKSA-N 335.363 4.066 50 40 EIGB c1ccc(P(=NN2CCCC2)(c2ccccc2)c2ccccc2)cc1 100293948 COMLYOAJGOOORX-UHFFFAOYSA-N 346.414 4.175 50 40 EIGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1 408603547 RRFNPDLCZKYSOA-DZUMZMOTSA-N 330.815 4.281 50 40 EIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409045768 HMXWLCKQGBZGBK-HBZRLFRNSA-N 340.398 4.362 50 40 EIGB O=C(CSc1ccc2ccccc2n1)N/N=C/C=C/c1ccccc1 3085648 ZYLIFONTWDMWGJ-XJYRWHQTSA-N 347.443 4.142 50 40 EIGB Br[C@@H]1CSc2nc3ccccc3n2[C@H]1c1ccccc1 4115825 XZVHYPKKENGTGN-DOMZBBRYSA-N 345.265 4.495 50 40 EIGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1CC(C)C 6608141 SRCHAOJCUORKAX-KEBDBYFISA-N 331.847 4.178 50 40 EIGB CCCn1c(C)c(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9202603 VDLIYLJLXKYRRR-HYARGMPZSA-N 333.435 4.432 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)c(C)c1 59138071 ZECBHEQKPKXHFK-GHRIWEEISA-N 349.434 4.432 50 40 EIGB CC(C)(C)[Si](C)(C)OC[C@H]1CN(Cc2ccccc2)CCC1=O 169743821 WOYQEVXRQBRUAL-QGZVFWFLSA-N 333.548 4.099 50 40 EIGB CCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](C)Br 1734252 YLXQVSUDMPPURY-XHDPSFHLSA-N 329.234 4.447 50 40 EIGB Cc1ccc(/C=C(C#N)/C(O)=N/c2ccc(Cl)cc2[N+](=O)[O-])o1 4103915 JSXZOLZIRGKCOV-UXBLZVDNSA-N 331.715 4.345 50 40 EIGB CC1=Nc2ccccc2N=C(NC(=O)[C@H](C)Cl)[C@@H]1c1ccccc1 6248195 NQXIUQUINBVQDZ-SJCJKPOMSA-N 339.826 4.350 50 40 EIGB C/C(=N/NC(=O)C(C)C)c1ccc(OCc2ccc(Cl)cc2)cc1 6493065 BYBBYNUXRXXWIC-STZFKDTASA-N 344.842 4.415 50 40 EIGB CCOc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1 40139929 KCGZQORIMHTAQJ-NTEUORMPSA-N 334.350 4.496 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1Br 100262169 ADTZKLYJZUMWRA-YIFOHVSPSA-N 349.272 4.034 50 40 EIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1S 1688231 KLEVFCOAGRHQTN-CAOOACKPSA-N 325.220 4.046 50 40 EIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(O)cc1 5620994 TUKSFXYITSWCRF-VXLYETTFSA-N 344.823 4.414 50 40 EIGB Cc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59473072 SOFNZGTUBYWOHV-VXLYETTFSA-N 332.856 4.032 50 40 EIGB C/C(=N\NC(=O)c1cccc(Br)c1)c1cc(C)ccc1C 59922430 TTWCHHXCHCPQQB-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H](C)CC2)c1C 96180164 KFCVPXVAJJTUSQ-SJPXOZHESA-N 327.472 4.071 50 40 EIGB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1Cc2ccccc2[C@@H]1Cl 339653 YCZNBDLLYANJHE-CABCVRRESA-N 327.232 4.019 50 40 EIGB CC(C)CCO[C@@H](c1ccc2c(c1)OCO2)[C@H](C)Br 1614621 NQZQKOPOYAVWRM-XHDPSFHLSA-N 329.234 4.303 50 40 EIGB N#C/C(=C\c1ccccc1Br)c1ccccc1[N+](=O)[O-] 3328688 DAAURDNHFHYZBZ-FMIVXFBMSA-N 329.153 4.421 50 40 EIGB Cc1ccc(/C=N/NC(=O)OCc2ccc(Cl)cc2Cl)o1 4520497 CCWMHOUKPHYBFC-REZTVBANSA-N 327.167 4.155 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 59473678 UVQRLGOTOIHYRF-KZKLBEMASA-N 332.856 4.361 50 40 EIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)c(O)c(C)c1 106549677 SNVUIERPKFCOHV-CHHVJCJISA-N 342.402 4.018 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)[C@H](C)Sc1ccccc1 408786069 KZZYFLOFLSYFTJ-WLVMFVESSA-N 326.465 4.292 50 40 EIGB CC(/C=C/c1ccccc1)=N\NC(=O)CNc1ccc2ccccc2c1 5221576 ZZSBWUWBJWSPKE-FYBGQPFKSA-N 343.430 4.457 50 40 EIGB C=C[C@@H]([C@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 98175049 HMCMBOCVODEDFP-FCHUYYIVSA-N 348.382 4.289 50 40 EIGB CCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 106404895 VBQAPZJTMWZGCE-UHFFFAOYSA-N 335.407 4.017 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc12 408807965 LVEYZSHDSWNEDE-IJOAKYOESA-N 348.446 4.450 50 40 EIGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(N)=O)cc1 408866921 JDEXZYCRHKCHJO-LDADJPATSA-N 342.398 4.120 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccccc1)c1ccccc1 409243659 ZKCBCGNHVHNOCO-STZPCZCHSA-N 341.414 4.262 50 40 EIGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCl 127422 UIIBJQATNJJSCQ-UHFFFAOYSA-N 337.828 4.078 50 40 EIGB in-vitro O=C(NNC(=O)c1cccc2ccccc12)c1cccc2ccccc12 4543434 OABGSBGGPVLBEN-UHFFFAOYSA-N 340.382 4.068 50 40 EIGB O=[N+]([O-])c1ccc2oc(-c3cccc(CBr)c3)nc2c1 73642075 JRBLXLUHLUWKHJ-UHFFFAOYSA-N 333.141 4.298 50 40 EIGB Cc1ccc(C(C)C)cc1CN1C(=O)C(=C(C#N)C#N)c2ccccc21 1320715 SQSHNDRGXAJLRW-UHFFFAOYSA-N 341.414 4.466 50 40 EIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c[nH]c2ccccc12 6646164 YBSRIMBGDJWDJE-YDZHTSKRSA-N 343.386 4.094 50 40 EIGB O=[N+]([O-])c1ccccc1S[C@@H]1[C@@H](Br)[C@@H]2CC[C@@H]1C2 100693858 KKOQEMZGKXRRQE-PNZRWIHMSA-N 328.231 4.249 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)CSc2ccc(C)cc2)cc1 408782581 KNUJXJWIGTYRIB-HMMYKYKNSA-N 342.464 4.026 50 40 EIGB O=C(CCl)Nc1ncc(Cc2ccc(SC(F)F)cc2)s1 533911 NRDULTXPKDJUBW-UHFFFAOYSA-N 348.827 4.226 50 40 EIGB Cc1cc(C)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 6188596 DWQKRJCQIYKISS-LSHDLFTRSA-N 334.341 4.395 50 40 EIGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O 33546428 LDFSCZAREUFRCO-XGICHPGQSA-N 330.727 4.027 50 40 EIGB COc1ccc(C(=O)N/N=C/C2=C(c3ccccc3)[C@H]3C=C[C@H]2C3)cc1 100339203 WVVIFNLXHIGWDW-YMQCXJOPSA-N 344.414 4.071 50 40 EIGB CCOc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c1 408587423 FUNQBBLQDYSYME-GRSHGNNSSA-N 337.206 4.156 50 40 EIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)c1 408816957 KJHOVXIJJQAJCU-LFIBNONCSA-N 329.403 4.341 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Cl)c2)c(C)c1 443508 SMGXWPZXZWPOMT-RIYZIHGNSA-N 326.783 4.208 50 40 EIGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1 573198 SLLWGBFHZAMVFI-PXLXIMEGSA-N 338.451 4.076 50 40 EIGB COc1cc(C)c(/C=C(\C#N)C(=O)NC2CCCC2)cc1C(C)C 13371734 OKNDKFCNHNKPJC-MHWRWJLKSA-N 326.440 4.093 50 40 EIGB Cc1ccc(N/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 13040947 ICCBTKVSPDYKSO-ACCUITESSA-N 345.324 4.472 50 40 EIGB Cc1cc(NC(=O)CSC#N)cc2nc(-c3cccc(F)c3)oc12 216855895 PYJGSCZQDFNXJI-UHFFFAOYSA-N 341.367 4.095 50 40 EIGB Cc1ccc(NC(=O)N/N=C\c2ccc(N3CCCC3)cc2)cc1C 408959513 ADYSOZIGDMMTJT-STZFKDTASA-N 336.439 4.059 50 40 EIGB CC[C@@H](C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 370471 QNPQPOZKZAXPMV-PUMYGXPMSA-N 345.240 4.093 50 40 EIGB O=C(NN=C(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 2310063 OHRIABIQDKATPE-UHFFFAOYSA-N 339.398 4.350 50 40 EIGB C/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccc2ccccc2c1 4676422 XHMGSEPSAGZOST-KQWNVCNZSA-N 341.414 4.335 50 40 EIGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2O)cs1 6846960 HKCUOARZKZTIQT-LCYFTJDESA-N 349.371 4.488 50 40 EIGB N#C/C(=C\c1cccn1-c1ccc(C(=O)O)cc1)c1cccc(F)c1 15013768 MSRAMOLYJBOTER-FOWTUZBSSA-N 332.334 4.379 50 40 EIGB O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 408940988 JFNMESGDRIDKOM-FBHDLOMBSA-N 332.281 4.216 50 40 EIGB O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1ccco1 159865 HPAPRIRKHVYJHW-UDWIEESQSA-N 349.415 4.033 50 40 EIGB O=C(CCl)Oc1ccc(-c2ccccc2)cc1Br 1621385 ZFVPOMUHFSJMGK-UHFFFAOYSA-N 325.589 4.260 50 40 EIGB Cc1cc(C(=O)N/N=C/c2cccs2)c(C)n1-c1ccc(F)cc1 2631802 WWCMGAWXSXPBIA-RGVLZGJSSA-N 341.411 4.059 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 5928211 LPKCDLUPUNTLDU-WKXBTIRCSA-N 325.239 4.036 50 40 EIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-] 7210409 QYTPIYARBNXNRM-MDWZMJQESA-N 341.754 4.102 50 40 EIGB N#C/C(=C\c1c[nH]c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 111974 MFUBLBJYPWAIKP-OQLLNIDSSA-N 342.807 4.160 50 40 EIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 2346053 GQEWAISGXWGDRQ-FYJGNVAPSA-N 338.794 4.293 50 40 EIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 13345044 DJPAJHSFHGADSV-LFIBNONCSA-N 334.375 4.054 50 40 EIGB Cc1cc(Br)c(C)c2sc(NC(=O)[C@@H](C)Cl)nc12 20131890 WNTRIMCMGSQNBE-SSDOTTSWSA-N 347.665 4.241 50 40 EIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1cccc(Cl)c1 494986 DXDIPPAOPUJKEB-MRXNPFEDSA-N 333.778 4.106 50 40 EIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@H]2CC[C@@H]1C2 4156493 AKVPWZWFZVPZAV-FADDMDAJSA-N 341.238 4.053 50 40 EIGB CCCC[C@@H](Br)C(=O)Nc1nc2ccccc2s1 20133119 LEDJQHVRIQUKKI-SECBINFHSA-N 327.247 4.189 50 40 EIGB N#C/C(=C/c1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 33471242 BAJZDLJMBLWZPS-YHYXMXQVSA-N 335.182 4.483 50 40 EIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(Cl)cc2)c1 59473379 VYQGEKPWKXDMMQ-KEBDBYFISA-N 346.883 4.340 50 40 EIGB C/C(=C(/C#N)[P+](C)(c1ccccc1)c1ccccc1)N1CCCC1 103458649 YQSIKRIHOYRQBZ-DYTRJAOYSA-N 335.411 4.136 50 40 EIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408735124 OFMAYBQLCUMYSK-NTEUORMPSA-N 326.783 4.284 50 40 EIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(O)c(Cl)c2)c1 408788620 DXEBOBVPMGVGRJ-RIYZIHGNSA-N 326.783 4.208 50 40 EIGB Cc1ccc(NCC(=O)N/N=C\c2ccc(-c3ccccc3)o2)cc1C 409006305 IRBNHMCXZCGFBD-QRVIBDJDSA-N 347.418 4.126 50 40 EIGB COc1ccc2nc(/C(C#N)=C\C=C\c3ccc(N(C)C)cc3)[nH]c2c1 409393068 UWMPVFKALZCZHA-UYCZWOBVSA-N 344.418 4.258 50 40 EIGB C=C(Br)COc1cc(C)cc(C)c1CBr 96526289 HYMPAKPOLYDIRS-UHFFFAOYSA-N 334.051 4.486 50 40 EIGB CC1(C)Cc2cc(/C=N\NC(=O)c3cccc4ccccc34)ccc2O1 408710705 GMYBNFAQCGQRDF-UCQKPKSFSA-N 344.414 4.317 50 40 EIGB C/C(=N\NC(=O)CNc1ccccc1C)c1ccc2ccccc2c1 261637 OWNZTZQVMNDGLL-XQNSMLJCSA-N 331.419 4.101 50 40 EIGB N#CC(C#N)=C1C=C2C=C(N3CCc4ccccc4C3)CC[C@@H]2CC1 25326537 ZLOWVUKUYOVDQM-KRWDZBQOSA-N 327.431 4.403 50 40 EIGB N#C/C(=C/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 33283723 PUUIELKZHNEUQU-GUSDSWBTSA-N 329.808 4.235 50 40 EIGB N#Cc1c(NC(=O)[C@@H](Cl)c2ccccc2)sc2c1CCCC2 74941573 UZVKNRBBENBHMV-HNNXBMFYSA-N 330.840 4.417 50 40 EIGB COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 107858881 LKJVPKLQALAIRR-RIYZIHGNSA-N 348.362 4.161 50 40 EIGB CCOC(=O)c1ccc(C(=O)CCCCCBr)cc1 575361693 GTWGVGVLEMMFAF-UHFFFAOYSA-N 327.218 4.001 50 40 EIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 3374264 SSNLVFKZOHRCFX-KEBDBYFISA-N 344.201 4.306 50 40 EIGB CC/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1 5295105 YGEJICQZXPQFTM-ZBJSNUHESA-N 338.451 4.428 50 40 EIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2nnc(C(C)C)s2)cc1 9332813 WAPXFPCMZSLYAO-OQLLNIDSSA-N 340.452 4.331 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1 20197543 POWXXFWEKQNQRZ-HYARGMPZSA-N 349.434 4.039 50 40 EIGB N#CC1=C[N+](Cc2ccccc2)=C[C-](Sc2ccccc2[N+](=O)[O-])C1 58120458 UJHYFBCSWASEEJ-UHFFFAOYSA-N 349.415 4.314 50 40 EIGB CCOc1ccc(NC(=O)N/N=C\c2cccn2-c2ccccc2)cc1 408820742 ZMSZFVIUMSIZSY-QNGOZBTKSA-N 348.406 4.032 50 40 EIGB O=C(NN(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4769652 NHWSEERKTHDESK-UHFFFAOYSA-N 333.347 4.078 50 40 EIGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1cccnc1 104372280 CHMHREPQHIKYOA-MTJSOVHGSA-N 336.266 4.425 50 40 EIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)Cc3ccccc3)cc21 208204582 LHEGHRZPYKAVLC-LGVXEURYSA-N 349.478 4.101 50 40 EIGB COc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)c(OC)c1 22958368 JFRMBWLMWMBALI-KPKJPENVSA-N 334.297 4.182 50 40 EIGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 3164247 ZWSLLELOLXMAJI-ACCUITESSA-N 328.799 4.375 50 40 EIGB O=C(c1ccc(C(=O)C(Cl)(Cl)Cl)cc1)C(Cl)Cl 4265732 ZYSCGHCHLKAXAC-UHFFFAOYSA-N 334.413 4.226 50 40 EIGB biogenic CN(C)CCN1C(c2ccccc2)=CC(=C(C#N)C#N)C2=C1CCCC2 32657299 ZNEZGZWTOITADD-UHFFFAOYSA-N 344.462 4.077 50 40 EIGB CCOC(=O)/C(C#N)=C/c1cc(OC)c(OC2CCCC2)cc1Cl 2799825 AXQIFFANPRTCHK-MDWZMJQESA-N 349.814 4.140 50 40 EIGB N#CC(=C\c1c[nH]c2ccccc12)/C(O)=N/c1ccccc1[N+](=O)[O-] 4263984 SNHPMPKIDDVCQF-FMIVXFBMSA-N 332.319 4.271 50 40 EIGB Cc1ccc(C(C)C)c(OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1 5625962 BTXVHSRPMZJIOM-UHFFFAOYSA-N 347.418 4.339 50 40 EIGB CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)NN=C1CCCC[C@@H]1C 5728125 PMKUZKGORSUFBG-LRDDRELGSA-N 344.484 4.116 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCC(C)CC3)o2)cc1 252482080 CXNNFXXCCADZBK-GHRIWEEISA-N 349.434 4.370 50 40 EIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1 408771153 DAMPUTUWULDEHZ-XNTDXEJSSA-N 340.810 4.457 50 40 EIGB Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccc(F)cc1 408775330 PKSICDVBDPCAAD-JAIQZWGSSA-N 341.411 4.059 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc12 408807972 LVEYZSHDSWNEDE-NOHAQXPHSA-N 348.446 4.450 50 40 EIGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1 408873503 UYYLACMSLBWYPL-RIYZIHGNSA-N 326.783 4.284 50 40 EIGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 260384 IVWWMOHNEULQJG-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(Br)c1 448781 CNQNPLGCAVLNLM-XYOKQWHBSA-N 345.171 4.134 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1O 544262 TUZJBNASWIHYCZ-LFIBNONCSA-N 344.370 4.100 50 40 EIGB O=C1c2ccccc2C(=O)C1(Br)[C@H](Cl)c1ccccc1 1745158 XEPUDRPAIGCRJS-CYBMUJFWSA-N 349.611 4.179 50 40 EIGB O=C(N/N=C/c1ccsc1)c1ccc(COc2ccccc2)cc1 3239786 OQUDQCQMTOOHIO-UDWIEESQSA-N 336.416 4.091 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F)c1ccccc1 6383258 GFUOIVDPMMMTHR-YYTPVVGHSA-N 344.336 4.490 50 40 EIGB N#C/C(=C/c1cccc(O)c1)C(=O)Nc1cc(Cl)ccc1Cl 33702321 BVQKSSSYDFJHKB-WDZFZDKYSA-N 333.174 4.245 50 40 EIGB CC/C(Cc1ccccc1)=N\NC(=O)COc1c(C)cc(C)cc1C 408954964 NYEKZCXQXCTGNC-ZBJSNUHESA-N 338.451 4.116 50 40 EIGB N#C/C(=C/c1cccc(O)c1)c1ccc(I)cc1 409371510 GRSPLOLAYLHKDI-JYRVWZFOSA-N 347.155 4.061 50 40 EIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(Br)c1 6586252 DLVOQQBBGZSQMK-SYLKQSLASA-N 347.256 4.051 50 40 EIGB C[C@@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)ccc2O1 15453059 YXRKHIHGXDHPIV-CDCQXCROSA-N 338.794 4.209 50 40 EIGB C[C@@H](Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1)C(=O)O 408849206 YIBGJPRXWSNHHT-DYTQJMLRSA-N 327.767 4.256 50 40 EIGB CC(C)(C)C1=C(C#N)[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O1 1004511 DMRGQIWDDSAEDX-CYBMUJFWSA-N 331.778 4.111 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(Br)cc1 4616494 DDOLTSMJOWBXBS-CPNJWEJPSA-N 345.240 4.188 50 40 EIGB COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc12 408746247 CXCWPMODBAWXPG-AQTBWJFISA-N 342.398 4.072 50 40 EIGB C[C@H](Oc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1)C(=O)O 408849215 YIBGJPRXWSNHHT-GQVHDAKQSA-N 327.767 4.256 50 40 EIGB COC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 5658045 WRGWIFFZDPDHLI-KEBDBYFISA-N 341.798 4.033 50 40 EIGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3)cc21 208437228 BEOSYLUANXDLKB-HYARGMPZSA-N 333.435 4.082 50 40 EIGB CC1=CC(=C(C#N)C#N)C=C(C)N1c1ccc(Br)cc1 3215040 RCNJESWJRRDGIU-UHFFFAOYSA-N 326.197 4.420 50 40 EIGB O=C(CCl)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 20427820 IGEKHEREEGDNMH-UHFFFAOYSA-N 346.858 4.019 50 40 EIGB Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 36127446 JBENCNSERKJEFG-RAXLEYEMSA-N 335.794 4.377 50 40 EIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1c(F)cccc1Cl 58915777 ATQTXENFVVYPHY-VURRPDKYSA-N 336.819 4.110 50 40 EIGB C[C@H](Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1)C(=O)O 59248551 NDMJQFYGBWTXAP-ZENNRRHLSA-N 327.767 4.256 50 40 EIGB COc1ccc(/C(C#N)=C/c2ccc(O)c(Br)c2)cc1 408581511 IQRBPJKCGWUXDF-MDWZMJQESA-N 330.181 4.227 50 40 EIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)c1 408768614 YYASFCRYLLJROS-ZSOIEALJSA-N 326.783 4.208 50 40 EIGB CC(/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)=C\c1ccccc1 408905300 WUNPIULDUCLMPD-CHDQIACXSA-N 349.346 4.160 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(C)c3ccccc23)cc1 566270 XEVZBKGGNDPHLL-QINSGFPZSA-N 345.402 4.041 50 40 EIGB COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CCl 2556121 SINFFSYCTOOBOI-UHFFFAOYSA-N 344.219 4.032 50 40 EIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 5445663 KPGWFZJXAPPEOS-KEBDBYFISA-N 338.741 4.095 50 40 EIGB CSC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 8567359 RVTNHUQBLQKFBG-HNNXBMFYSA-N 330.840 4.132 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2)cc(Cl)c1O 13062733 DWPRIBLPHBDFHM-VGOFMYFVSA-N 327.767 4.153 50 40 EIGB CCCCCCCCCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 97965655 HNBFBSUWQWJUMR-HMMYKYKNSA-N 332.444 4.064 50 40 EIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1 409201226 ORQQBYUPVGFJGY-MHWRWJLKSA-N 340.448 4.006 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)c(OC)c1 7212242 BTDIPQNKOKYCEJ-MHWRWJLKSA-N 347.374 4.126 50 40 EIGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C 9201401 QQKADXKPKLASPY-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(C)c2)N1 20291869 GWCVVSJNTYZWNL-UHFFFAOYSA-N 347.262 4.006 50 40 EIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)Cn1cnc2ccccc21 408691858 USUQIVAFVXALKY-GHXNOFRVSA-N 338.754 4.205 50 40 EIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccco2)c(Cl)c1 408741826 SCOYNEQILKAZPN-RGVLZGJSSA-N 341.798 4.104 50 40 EIGB Cc1ccccc1CSCC(=O)N/N=C/c1cccc(Cl)c1 221801 BNNZAOISYQGLAE-VXLYETTFSA-N 332.856 4.032 50 40 EIGB CCCCOc1ccc(/C=C(/C#N)c2nc(=O)c3ccccc3[nH]2)cc1 6294218 KVOWPRSAYDRCEO-SSZFMOIBSA-N 345.402 4.166 50 40 EIGB COC(=O)COc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1 6440804 OJRFDOOSRJBFGJ-QGOAFFKASA-N 343.382 4.456 50 40 EIGB COc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1OC(F)F 7062802 QCMDVFZASNGSNX-GXDHUFHOSA-N 329.302 4.086 50 40 EIGB ClCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100024641 LRYDDXUFNWEWOY-UHFFFAOYSA-N 325.799 4.219 50 40 EIGB Cc1cc(C)c(C)c(-c2nnc(NC(=O)CCCCl)s2)c1C 4079137 ACMIUGOMWAXMJG-UHFFFAOYSA-N 337.876 4.396 50 40 EIGB C[C@H]1CC[C@](C)(C(=O)C(Br)Br)C1(C)C 4266825 CJHCACLPNGEXBJ-WRWORJQWSA-N 326.072 4.134 50 40 EIGB biogenic CCOc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1OC 6156073 SOZXMAOWEMNMDI-HYARGMPZSA-N 348.402 4.011 50 40 EIGB Cc1ccc(SCC(=O)N[C@H](Cl)C(Cl)(Cl)Cl)cc1 32634087 FWUJRTUXEQIJEI-JTQLQIEISA-N 347.094 4.138 50 40 EIGB O=C(N/N=C\c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 33318551 JZUMKJYZVZKMTL-LSCVHKIXSA-N 327.598 4.411 50 40 EIGB COc1c(Cc2ccccc2)cc(Br)cc1C(=O)Cl 57352763 HMTOYOSDAJCBDB-UHFFFAOYSA-N 339.616 4.428 50 40 EIGB O=[P@](CCl)(Nc1ccccc1)N(CCCl)CCCl 104379150 ASQMALWYCAELGO-GOSISDBHSA-N 329.595 4.268 50 40 EIGB CCn1c(C)c(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc21 409381300 FFPITFSFYVQMJE-LFIBNONCSA-N 332.407 4.030 50 40 EIGB CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 5283464 FRYXMBGTHSKMOD-DJKKODMXSA-N 337.206 4.042 50 40 EIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1 5370490 DPEDLWRTWFEJHM-OTGIAGGSSA-N 332.856 4.112 50 40 EIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccccc1OC(C)C 20195480 HHDAHBWGWPPBCI-OQKWZONESA-N 338.451 4.174 50 40 EIGB COc1ccc([C@H](OC)[C@@H](Br)C(=O)c2ccccc2)cc1 28294657 UBSDYWGCTHYLBH-RDJZCZTQSA-N 349.224 4.029 50 40 EIGB O=C(CCCCCCl)c1cccc(I)c1 43210709 JHDUAURLXQHQLS-UHFFFAOYSA-N 336.600 4.273 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1 408940078 UBYXTCMEUZBXJQ-PDGQHHTCSA-N 332.403 4.414 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])cc1Cl 408981880 CPDBTXXLEWKUAI-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB CN(C)C(=O)Oc1ccc([C@@H](Cl)C(Cl)(Cl)Cl)cc1 162802 IQNSHBDJCCHHBV-SECBINFHSA-N 331.026 4.397 50 40 EIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccn3)o2)cc1Cl 552431 RVQOOFIJTOSMRZ-SRZZPIQSSA-N 339.782 4.067 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1C(F)(F)F)c1ccccc1 3271479 GFUOIVDPMMMTHR-KWWJGWKXSA-N 344.336 4.490 50 40 EIGB COc1cccc(C(=O)NNc2c3ccccc3nc3ccccc23)c1 5249948 VQESUHVIUMMASH-UHFFFAOYSA-N 343.386 4.154 50 40 EIGB N#C/C(=C\c1cccn1C(F)(F)C(F)F)c1nc2ccccc2[nH]1 70450785 VMSGLWGWIGTOOF-CSKARUKUSA-N 334.276 4.243 50 40 EIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1 408745133 JYNANIOGLSNYFN-LGMDPLHJSA-N 348.402 4.196 50 40 EIGB O=C(N/N=C/c1cccn1-c1ccccc1F)c1ccc(Cl)cc1 409192192 BHMORFPPMRVALW-CIAFOILYSA-N 341.773 4.034 50 40 EIGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 5003493 VLIDYWTXWVQBOS-LFVJCYFKSA-N 346.405 4.498 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@@H]1C[C@H]2CC[C@H]1C2 107912077 DRNISQFRIZSJKT-UMAGTAJBSA-N 348.874 4.344 50 40 EIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1 408816475 UPUKXNILWQLPIW-HUCUOGIVSA-N 334.419 4.087 50 40 EIGB COc1ccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 227375 YKJBIHCDNJFEPV-UHFFFAOYSA-N 346.430 4.042 50 40 EIGB O=C(N/N=C1/CCCCc2ccccc21)c1cc2c(s1)CCCC2 7166095 YNNMHXNKGZCJCX-FXBPSFAMSA-N 338.476 4.487 50 40 EIGB O=C(Cl)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 218718426 NXLVYSVPWNTGEB-UHFFFAOYSA-N 339.572 4.047 50 40 EIGB CCO[C@@H]1C[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl 227002709 SLTXLYZUZLOALQ-LXGUWJNJSA-N 334.634 4.334 50 40 EIGB Cc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 408742605 BOZPPJKRRJWUSA-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB CCn1c(C)c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 409369145 FDJMZEKYPNCRRH-CIAFOILYSA-N 339.826 4.387 50 40 EIGB CC(C)[C@@]12C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@]3(CC1)OO2 104191714 OOHFJWCHEFCJDC-ZDNSCYFHSA-N 334.456 4.493 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 381269 ONGQFOURONPEKQ-YBFXNURJSA-N 345.240 4.336 50 40 EIGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1Cl 4827408 SKEIEZVSYKEEIW-DJKKODMXSA-N 337.206 4.074 50 40 EIGB CSC1=C(C#N)[C@H]([C@H]2CC=CCC2)C2=C(CC(C)(C)CC2=O)N1 14671757 RQRXEIMIGGPHAM-LRDDRELGSA-N 328.481 4.303 50 40 EIGB O=C(N/N=C/c1ccc([C@@H]2C=CCC2)s1)c1cccc2cc[nH]c12 3181558 QUQPZVNQSPRAQQ-LNOXHEFASA-N 335.432 4.427 50 40 EIGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 33294819 FQYXEUGKGRQFCK-WISOPQDSSA-N 344.418 4.204 50 40 EIGB COc1ccc(C(=O)/C(C#N)=C\c2ccccc2Br)cc1 33477608 RDGQDVGMRHEMAC-UVTDQMKNSA-N 342.192 4.248 50 40 EIGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(N)=S 35681164 YLCXAMQPZBRQKT-NTEUORMPSA-N 328.824 4.112 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)cc1 45331144 ZVSHHDNWTYPASA-HZHRSRAPSA-N 345.446 4.095 50 40 EIGB Cn1cnc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc21 75327139 DHQDRLHKZUQTPH-CYBMUJFWSA-N 335.498 4.226 50 40 EIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1 408783565 OSDVMADTSUQETD-ZROIWOOFSA-N 326.783 4.154 50 40 EIGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 408893303 LYVBHDPVQBYTJS-UKTHLTGXSA-N 341.754 4.102 50 40 EIGB C=CCn1cc(/C=N/NC(=O)Cc2ccc(CC)cc2)c2ccccc21 409361679 CWPFWAFXRYTTLT-HZHRSRAPSA-N 345.446 4.083 50 40 EIGB Cc1cc(SC#N)ccc1NS(=O)(=O)c1ccccc1Cl 7051421 JXSPRVFXSUPBSY-UHFFFAOYSA-N 338.841 4.022 50 40 EIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 7993671 KXEVOIBNSITRAM-GIJQJNRQSA-N 339.247 4.236 50 40 EIGB Cc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)s1 17206819 HYONOQCSHPDKOW-STZFKDTASA-N 334.444 4.339 50 40 EIGB Cc1ccc2oc(-c3ccc(C)c(NC(=O)CSC#N)c3)nc2c1 216860496 XATMZDFTMILRPP-UHFFFAOYSA-N 337.404 4.264 50 40 EIGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1 408770961 BFUICAFXUKITPA-UNOMPAQXSA-N 335.451 4.088 50 40 EIGB Cc1cccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1 408904729 NRVBKBUJMOOHSB-ZDLGFXPLSA-N 346.228 4.222 50 40 EIGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 3098602 HSFJSDYIVNHJQH-NHCUHLMSSA-N 340.426 4.359 50 40 EIGB C[C@@H](Cl)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 3887360 OPWBFVHTCZOTCK-QMTHXVAHSA-N 337.206 4.238 50 40 EIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(C(C)C)cc2)cc1 5363318 WQJSRCWJSPLQGJ-CPNJWEJPSA-N 340.448 4.369 50 40 EIGB O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccccc1 59515718 FSPDPHMYJITYLV-UHFFFAOYSA-N 343.471 4.402 50 40 EIGB CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)[nH]c2ccc(OC)cc12 408783287 NVCLCCVDKKHQEQ-RVDMUPIBSA-N 346.386 4.314 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cn1 58902 ZOCLPLNPEGTHPV-SRZZPIQSSA-N 339.782 4.067 50 40 EIGB O=C(N/N=C/c1ccc([C@H]2C=CCC2)s1)c1cccc2cc[nH]c12 3181562 QUQPZVNQSPRAQQ-XMOVILSBSA-N 335.432 4.427 50 40 EIGB CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 19892783 RLPLSUDVANIUMP-HNNXBMFYSA-N 330.840 4.132 50 40 EIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccccc2Cl)C1 96901752 BHZKSIOCAKZNTM-ZDHNHOGNSA-N 332.831 4.123 50 40 EIGB Cc1nc2sccn2c1C(=O)NN=C1CCC(C(C)(C)C)CC1 118736 PCSQSMPIJMMJKE-UHFFFAOYSA-N 332.473 4.026 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)cc1 229509 DOXGKZNFTKYBNY-SDNWHVSQSA-N 331.375 4.031 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Br 566389 KKSQGAAJKPQVNJ-GXDHUFHOSA-N 341.208 4.303 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(F)cc1 409110251 AGLSUYSMKUDICI-GNUZOCDUSA-N 330.428 4.155 50 40 EIGB Cc1ccc(CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)cc1 409132764 LQOUHZHJPUAPHI-CQSZACIVSA-N 340.473 4.329 50 40 EIGB CCc1ccc(/C(C)=N/NC(=O)CNc2cccc3ccccc23)cc1 5247968 POAGUWRHQYIEOP-LFVJCYFKSA-N 345.446 4.355 50 40 EIGB CCCC[C@H](CC)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 22112576 ZFQKLZHCUGJSJS-FSEGOYHTSA-N 329.396 4.082 50 40 EIGB COc1ccc([C@H](OC)[C@H](Br)C(=O)c2ccccc2)cc1 28294660 UBSDYWGCTHYLBH-WBVHZDCISA-N 349.224 4.029 50 40 EIGB Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)c1 408997639 SERYBDGZCRXVQH-UCQKPKSFSA-N 345.446 4.475 50 40 EIGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc(C)cc1C 5538347 DQEGQQXPBDACEE-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB N#CSc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 12274418 JJPLVMNLRIVOOQ-UHFFFAOYSA-N 338.413 4.087 50 40 EIGB C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc(C)cc1 59473578 QMPJSPQKTSALOR-CAPFRKAQSA-N 326.465 4.077 50 40 EIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)NC1CCCCC1 212649184 RECQEJBXGNPYOV-SDXDJHTJSA-N 337.467 4.033 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1O 408766118 OZPSAAOVDQNUAW-LICLKQGHSA-N 344.370 4.100 50 40 EIGB O=C(N/N=C/c1ccccc1F)c1sc2ccccc2c1Cl 37277 IHHLRAZARSJBKT-DJKKODMXSA-N 332.787 4.458 50 40 EIGB CCCCCCSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1 8971967 SNCJSBIXGCJWGL-INIZCTEOSA-N 344.480 4.347 50 40 EIGB O=C(CBr)Nc1ccc(OCCCc2ccccc2)cc1 35605137 AWDPTHOKRYHFRR-UHFFFAOYSA-N 348.240 4.032 50 40 EIGB N#C/C(=C/S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104208693 YICHXACMFPBRLX-FXBPSFAMSA-O 346.415 4.275 50 40 EIGB CCc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@@H]32)cc1 4631650 OTQGRWKTNXXLPH-LIVBEALHSA-N 342.446 4.089 50 40 EIGB COc1cc(C=C(C#N)C#N)ccc1OCCOc1ccc(C)c(C)c1 5007361 PQOMRJMSGDVLRB-UHFFFAOYSA-N 348.402 4.200 50 40 EIGB CCc1ccccc1NC(=O)N/N=C/c1c(C)n(C)c2ccccc12 59678335 WVYSSAHBWXDMRM-FYJGNVAPSA-N 334.423 4.205 50 40 EIGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(F)s2)cc1 252487683 HZNOFEIMHGGFLB-GJSZRHCTSA-N 344.455 4.439 50 40 EIGB CCOc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1Cl 409146738 SZAOXFVTPIPURG-GRSHGNNSSA-N 337.206 4.156 50 40 EIGB Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2)cc1 566110 CHXCDUXRQCSNQB-HZHRSRAPSA-N 344.414 4.338 50 40 EIGB C/C(=N\NC(=O)c1cccnc1)c1ccc2oc3ccccc3c2c1 4615888 RMRDVOFICAIJLX-LPYMAVHISA-N 329.359 4.135 50 40 EIGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)OCCO2 20888592 RMMQCNXVVGBDOP-CYBMUJFWSA-N 339.482 4.110 50 40 EIGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1O 51075039 YZDNIWMQJHTCIJ-SDQBBNPISA-N 339.782 4.303 50 40 EIGB FC(F)(Br)[C@@](F)(Cl)CCCCBr 71603341 YUXDDFBZPHVKTN-RXMQYKEDSA-N 332.385 4.444 50 40 EIGB CCc1ccc2oc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c(C)c2c1 103591802 DYLVISNAKRGVEQ-UHFFFAOYSA-N 325.320 4.431 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5633588 REZFZGUFUYMOBG-LPYMAVHISA-N 339.483 4.412 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 16661687 QTUHOHIWUVUDMO-MDWZMJQESA-N 341.754 4.102 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)c1 408710879 TZMBVYWRBCHGEF-GZTJUZNOSA-N 332.403 4.254 50 40 EIGB Cc1c(/C=N\NC(=O)c2cccc3ccccc23)c2ccccc2n1C 408853115 YSLNZHUNUJNRBA-UCQKPKSFSA-N 341.414 4.404 50 40 EIGB C[C@@H](/C=N/NC(=O)CNc1ccc2ccccc2c1)c1ccccc1 5335944 HGBROVJKDFHOQQ-YQCVNYCESA-N 331.419 4.157 50 40 EIGB COc1cc(/C=C(\C#N)c2ccc3ccccc3n2)cc(OC)c1OC 42653321 IVSMHBOZGDKCHL-MHWRWJLKSA-N 346.386 4.325 50 40 EIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)cc1Cl 562609 HKJKBMPWTUHTLJ-VXLYETTFSA-N 328.755 4.265 50 40 EIGB CCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 1734250 YLXQVSUDMPPURY-IAQYHMDHSA-N 329.234 4.447 50 40 EIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 16411842 QWQLQTLTSVZAFC-QGOAFFKASA-N 332.403 4.414 50 40 EIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccc1Br 3254401 JPNYGBMZYGFWJE-FMIVXFBMSA-N 345.171 4.134 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 4541088 HDZMIOQXUJIHSP-RVDMUPIBSA-N 331.375 4.200 50 40 EIGB Cc1cc2nc3c(nc2cc1C)[C@H]1C[C@@H](Br)CC[C@@H]1N3 6281624 CEBATRSHQHHJHR-SRVKXCTJSA-N 332.245 4.072 50 40 EIGB Cc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 408726496 MLOWULQPZQPAAQ-MDBUFAAASA-N 332.856 4.279 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408793268 OBYHZTWOHJDJDD-RMKNXTFCSA-N 337.162 4.141 50 40 EIGB N#CC1=C(SCCc2ccccc2)NC(=O)C[C@@H]1c1cccs1 409137864 WYXVUYWEOMBHFC-AWEZNQCLSA-N 340.473 4.063 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2nc(C(C)(C)C)cs2)cc1 5938918 WMYYMESINZESSM-NTEUORMPSA-N 325.437 4.295 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1 6182391 SLGLYYYCVHESOE-DTQAZKPQSA-N 328.371 4.394 50 40 EIGB C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C\[C@H]1CC=CCC1 13321816 WKIYAWUBZQMQEX-PWONOCEESA-N 345.493 4.235 50 40 EIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1 408598867 KOTAWHYSAGNRNJ-YBEGLDIGSA-N 341.794 4.346 50 40 EIGB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1Cc2ccccc2[C@H]1Cl 339654 YCZNBDLLYANJHE-HUUCEWRRSA-N 327.232 4.019 50 40 EIGB Cc1cc2nc3c(nc2cc1C)[C@H]1C[C@H](Br)CC[C@@H]1N3 6281621 CEBATRSHQHHJHR-WOPDTQHZSA-N 332.245 4.072 50 40 EIGB O=C(CCc1ccsc1)NN(Cc1ccccc1)c1ccccc1 8389567 ROCHSAJJWGMWRE-UHFFFAOYSA-N 336.460 4.419 50 40 EIGB O=C(N/N=C\c1ccc(Br)s1)c1cc2ccccc2o1 408851130 IUDQKOISAGKNEY-PXNMLYILSA-N 349.209 4.021 50 40 EIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1 1319265 PUTQVCOYBFNABW-OMBDHMDGSA-N 344.842 4.383 50 40 EIGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC=C(C#N)C#N 6881596 JXLAQEFNTZWHGH-UHFFFAOYSA-N 341.367 4.074 50 40 EIGB ClCCN(CCCl)c1ccc(/C=N/N=C\c2ccco2)cc1 104098726 UDOHJUAPUOACKQ-JFUXKBHTSA-N 338.238 4.017 50 40 EIGB CC(=O)N(c1nc(CN=C=S)cs1)c1c(C)cc(C)cc1C 3399126 RAZLBWKVNMJYMA-UHFFFAOYSA-N 331.466 4.356 50 40 EIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccncc1 5381653 SFLOWTOHOCVGKE-VXLYETTFSA-N 329.812 4.104 50 40 EIGB CC(/C=N/NC(=O)COc1c(C)ccc(C)c1C)=C\c1ccccc1 12844073 QZGKFXZOSJJMPA-LJMWNDBKSA-N 336.435 4.196 50 40 EIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Cl)cc2)C1 18116687 AFIIKXHKEKRZHL-SYLQMPFCSA-N 332.831 4.123 50 40 EIGB CSc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 59922126 OQRJTTYMHXLXBB-KEBDBYFISA-N 338.354 4.191 50 40 EIGB BrCc1c(Br)cccc1Br 77011428 QFXJJFWSOLXOSE-UHFFFAOYSA-N 328.829 4.107 50 40 EIGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C)c(C)c1 408568617 VOEGTUUJGXTWQW-OEAKJJBVSA-N 346.430 4.158 50 40 EIGB Cc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 408726506 MLOWULQPZQPAAQ-OTGIAGGSSA-N 332.856 4.279 50 40 EIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Cl 408866853 HAOFJFODWAKMCF-UKTHLTGXSA-N 344.773 4.423 50 40 EIGB O=[N+]([O-])c1ccccc1S[C@@H]1[C@H]2CC[C@H](C2)[C@H]1Br 497529 KKOQEMZGKXRRQE-OTMMVIPVSA-N 328.231 4.249 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1 6959768 BTNRSXIJXKKCFH-NBVRZTHBSA-N 332.403 4.359 50 40 EIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3cccnc3)sc2c1 35375516 BKAWOUCGXYKDAD-OCKHKDLRSA-N 329.812 4.022 50 40 EIGB CCOc1ccc2nc(N/C=C(\C#N)C(=O)C(C)(C)C)sc2c1 100944130 QFWBHYVCFUFCIY-ZHACJKMWSA-N 329.425 4.130 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)o1 573543 UZGTUGUGMTZGRK-VXLYETTFSA-N 328.755 4.265 50 40 EIGB N#Cc1ccccc1-c1ccc(/C=N\NC(=O)c2cccc(Cl)c2)o1 4544230 GQYCQYGELNLBSB-UUYOSTAYSA-N 349.777 4.236 50 40 EIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(OCC)cc2)cc1 216064920 DMNXUIPAHPYJJV-RCCKNPSSSA-N 340.423 4.028 50 40 EIGB CCOc1cc(C(=O)Cl)ccc1OC(=O)c1cccc(Cl)c1 218718627 AICGEBKIUSKGGN-UHFFFAOYSA-N 339.174 4.337 50 40 EIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc2ccccc2c1 58859 ACFKTQLCQHRIBU-CIAFOILYSA-N 338.794 4.022 50 40 EIGB C/C(Cc1ccccc1)=N\NC(=O)[C@@H](C)SCc1ccccc1 20248863 JZQLTEYLUWCSQC-MURKYSCBSA-N 326.465 4.043 50 40 EIGB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSC#N)c2C#N)C1 226233892 AGSZHPSRAMRVMT-LLVKDONJSA-N 347.509 4.314 50 40 EIGB COc1ccc(Cl)cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408570138 RXAUCOMJVGKCAF-WDZFZDKYSA-N 327.746 4.428 50 40 EIGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1cccs1 4502548 UQLJTWHVXQAEER-NBVRZTHBSA-N 332.494 4.139 50 40 EIGB COc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)cc1 61476158 HFFQTDDFXIULMC-INIZCTEOSA-N 339.526 4.068 50 40 EIGB biogenic Cc1ccc(P(=S)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95676482 ITFYRQZRIAGVPR-UHFFFAOYSA-N 336.440 4.368 50 40 EIGB CCO[P@@](=O)(C#CC(C)(C)C)[C@@](O)(CCl)c1ccccc1 2320663 IWNCGMNEXLVFHJ-KKSFZXQISA-N 328.776 4.392 50 40 EIGB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Cl 3269751 CCNVDQZHTPOGTD-JTQLQIEISA-N 337.828 4.158 50 40 EIGB C/C(=N/NC(=O)c1cc(Cl)ccc1O)C12CC3CC(CC(C3)C1)C2 4614423 XXCBCFIKWJSURA-NHDPSOOVSA-N 346.858 4.368 50 40 EIGB COc1ccc(C(=O)/C(C#N)=C/c2ccccc2OC(F)F)cc1 5127818 UUFQBLKYCNGHLP-GXDHUFHOSA-N 329.302 4.086 50 40 EIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(C)C 12401649 DQZIINNFQYBMTI-XNTDXEJSSA-N 333.391 4.423 50 40 EIGB COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OC(C)C 12627276 QKFUGMCZEOEDTD-RVDMUPIBSA-N 333.391 4.423 50 40 EIGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 59514890 UKDONVAZEXACOW-AWFLEDEYSA-N 349.434 4.100 50 40 EIGB O=C(CCCBr)[C@@H](Br)c1ccccc1F 145593852 IZIMFGUEKSOQNI-NSHDSACASA-N 338.014 4.006 50 40 EIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3F)o2)c1 408600351 BRFKTDDUJZAISX-SSDVNMTOSA-N 340.329 4.297 50 40 EIGB CC1=C(C#N)C(=O)O[C@@]1(C)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1609356 RAWPQWPJWSEZEZ-SIKLNZKXSA-N 345.398 4.199 50 40 EIGB C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(O)c1 5381874 FVTRROKVJMJENU-PXLXIMEGSA-N 330.387 4.213 50 40 EIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1 6468168 QFIVLDNJFXXQEU-APCBGKFJSA-N 336.357 4.307 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)cc1 7157353 NTFZSVNECQIEAH-GXDHUFHOSA-N 328.318 4.142 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c2ccccc21 408870083 RTEYCDVMZMWIFZ-VKQHQMNQSA-N 349.478 4.412 50 40 EIGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1 2801895 WLMLBXWOJLMXGQ-SFQUDFHCSA-N 342.354 4.084 50 40 EIGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(C#N)cc1 6497044 BZPZWDKWLRHFMP-UNOMPAQXSA-N 329.403 4.229 50 40 EIGB N#CC[P@@](=O)(c1ccccc1)c1ccccc1OCc1ccccc1 97959777 PTORJIAWUCMRTH-RUZDIDTESA-N 347.354 4.103 50 40 EIGB N#CC(C#N)=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 238178 AAADRZWZHDAZHS-UHFFFAOYSA-N 328.331 4.028 50 40 EIGB CCCSC1=C(C#N)[C@@H](c2ccccc2OCC)[C@H](C#N)C(O)=N1 2298638 HSABLHXYGLDNPP-BBRMVZONSA-N 341.436 4.157 50 40 EIGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 12370956 JTIMBSZYYOTYCA-XNTDXEJSSA-N 346.346 4.058 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 59473230 HRPZGIZEDJEQOH-XSFVSMFZSA-N 326.465 4.443 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408567377 DJBDYEVVKFFUEH-JYRVWZFOSA-N 337.354 4.173 50 40 EIGB C=CCc1ccccc1OCC(=O)N/N=C/c1cccc2ccccc12 3167658 DJJKWWHUVZOGNU-HZHRSRAPSA-N 344.414 4.097 50 40 EIGB CCCCc1[nH]nc2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 8382702 OAZBAABHCIHASN-SFHVURJKSA-N 344.418 4.124 50 40 EIGB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)c1cccc(Br)c1)C2 100922148 GGANCFYHQIQCSZ-MHAIZMEMSA-N 349.272 4.381 50 40 EIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2)cc1 408566132 DMDIRHLOVNQEQW-FYJGNVAPSA-N 328.843 4.330 50 40 EIGB O=C(NN=C1CCC(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 5946755 LMWMIVHWTKYVGA-UHFFFAOYSA-N 337.379 4.038 50 40 EIGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NC1CCCCC1 9452924 SUCREQGYAXTNPO-NTCAYCPXSA-N 338.382 4.442 50 40 EIGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1c(Cl)cccc1Cl 11566029 DKJXOGMKZBWLDL-UFFVCSGVSA-N 346.217 4.168 50 40 EIGB Cc1cccc(Cl)c1NNC(=O)c1cc(Cl)nc(Cl)c1 2577551 NOWLJXVDOCJOPL-UHFFFAOYSA-N 330.602 4.107 50 40 EIGB Cc1csc(/C(C#N)=C/c2cc3c(cc2Br)OCO3)n1 8207401 MMJRUXZNJQUAJZ-WTDSWWLTSA-N 349.209 4.007 50 40 EIGB O=C(CBr)c1ccc2cc(Br)ccc2c1 96373523 CVLAZUXWINTOCV-UHFFFAOYSA-N 328.003 4.180 50 40 EIGB COc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1Cl 409053631 NRZNZEWKZUCNID-DJKKODMXSA-N 337.206 4.074 50 40 EIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Cl)cc2C)C1 182666 LWHSCKVQMBRSDC-OTUOZYHDSA-N 346.858 4.432 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1)C12CC3CC(CC(C3)C1)C2 6524981 HRWWBERJUGVXIH-TUFWSVQUSA-N 334.463 4.315 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)cc1 13586169 ZENYFOCQKDBZMM-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB O=C(CCCCCCl)c1ccccc1I 43210712 SPNSGSSYVPCIPM-UHFFFAOYSA-N 336.600 4.273 50 40 EIGB Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cccnc2)o1 408969206 JDJQMHIIUMXJHT-NHDPSOOVSA-N 339.782 4.067 50 40 EIGB CC/C(=N\NC(=O)CNc1ccc2ccccc2c1)c1ccccc1 12401990 GKUBTHWJCDDGDZ-BSYVCWPDSA-N 331.419 4.182 50 40 EIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c1 33328260 NGOWXSPPUKGHIX-RGEXLXHISA-N 345.446 4.449 50 40 EIGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1F 53102028 HUGDOKVXOLIKFI-XYOKQWHBSA-N 330.746 4.033 50 40 EIGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc(F)cc1 59422179 VNJHDLYEPJTJIP-UDWIEESQSA-N 340.379 4.334 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc3ccccc3c2O)c(Cl)c1 408564310 YLRDNJPMLAVXBT-SRZZPIQSSA-N 338.794 4.271 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)c1C 313861 XNHNKTCPGXJFCA-RHLNUJDMSA-N 340.492 4.384 50 40 EIGB N#C/C(=C/Nc1ccc(C(=O)O)cc1)c1nc2cc(Cl)ccc2o1 5338084 YRBZPRAQZPNVNU-LUAWRHEFSA-N 339.738 4.156 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC)cc1 6956891 LMUDSEWVYISMFZ-XNTDXEJSSA-N 340.810 4.457 50 40 EIGB Cc1cc2nc(NC(=O)[C@@H](Br)C(C)C)sc2cc1C 20133301 OVHLIYCBSXHXRE-LBPRGKRZSA-N 341.274 4.271 50 40 EIGB COc1cccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c1OC 76537636 OYDAHXMILDXCSE-XNTDXEJSSA-N 333.391 4.261 50 40 EIGB CN(C)c1ccc(/C=C/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408567864 GMANHQKAHZVZGX-HSNGZWOFSA-N 332.382 4.388 50 40 EIGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccn1 409016914 UFQHKSMCUXIWCF-HZHRSRAPSA-N 347.418 4.178 50 40 EIGB O=P(C(=S)Nc1ccccc1)(c1ccccc1)c1ccccc1 159128 PTBBDBGVLQMQBR-UHFFFAOYSA-N 337.384 4.398 50 40 EIGB CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1 3174881 VUSGWIKWNGVRHB-FYJGNVAPSA-N 344.842 4.212 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc12 4675329 ULAMJVGLBYLMRR-RVDMUPIBSA-N 348.427 4.133 50 40 EIGB O=[N+]([O-])c1ccccc1S[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1Br 4785534 KKOQEMZGKXRRQE-FIDNZITISA-N 328.231 4.249 50 40 EIGB CCCCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OCC 38206443 SHLDCLZKPGEUNO-QNGOZBTKSA-N 340.423 4.028 50 40 EIGB Cc1ccc(C)c(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 57414118 VFKBXALJAQBWAE-KAMYIIQDSA-N 325.799 4.415 50 40 EIGB N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)NC1CCCC1 59133287 KLEOQVMNNVRETO-RGEXLXHISA-N 346.430 4.231 50 40 EIGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccccc1Br 101628690 ZBNCBCKCSOIFTM-WXRFJIMESA-N 347.256 4.157 50 40 EIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 220096 NLTQCYJYHXVGPC-CIAFOILYSA-N 338.794 4.022 50 40 EIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1c[nH]c2ccccc12 259523 IBZQTZSPLWELNZ-AWQFTUOYSA-N 332.190 4.239 50 40 EIGB O=C(CNc1cccc2ccccc12)N/N=C/C=C/c1ccccc1 1954040 HHRHTTXQHGQYQX-ZREQCHBWSA-N 329.403 4.067 50 40 EIGB C/C(=N\NC(=O)COc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 5341627 ODKXUCNDCHEADD-CJLVFECKSA-N 338.451 4.212 50 40 EIGB C[C@H](Sc1ccccc1)C(=O)N/N=C1\CCCC[C@@H]1CCC#N 5362328 CTQXXWRTJKPEEY-BOJWAVRLSA-N 329.469 4.133 50 40 EIGB N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)NCc1ccccc1 7737340 HNNYYDHFSDTNSW-FOWTUZBSSA-N 346.361 4.309 50 40 EIGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 35409479 QRGHQFWDMMYIKT-STZFKDTASA-N 335.407 4.043 50 40 EIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 6693310 HJYOEAHIEMDCPH-RGVLZGJSSA-N 330.815 4.139 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc(OC)c1 40139883 SZBINUDVTTWBHE-VIZOYTHASA-N 346.386 4.283 50 40 EIGB CN(C)C(=O)Oc1ccc([C@H](Cl)C(Cl)(Cl)Cl)cc1 162801 IQNSHBDJCCHHBV-VIFPVBQESA-N 331.026 4.397 50 40 EIGB COc1ccc2nc(Cl)c(/C=C(\C#N)C(=O)C(C)(C)C)cc2c1 1106053 GMOXGMSMQKTFSG-MDWZMJQESA-N 328.799 4.419 50 40 EIGB CCN(CC)c1ccc(Pc2ccc(N(CC)CC)cc2)cc1 1567214 MNZBLXBCKMZVOF-UHFFFAOYSA-N 328.440 4.008 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)cc1F)c1cccc([N+](=O)[O-])c1 34882459 QYQSUHYZYIAYJC-YBEGLDIGSA-N 337.354 4.398 50 40 EIGB CO[P@@](=O)(C#Cc1ccccc1)[C@](O)(CCl)c1ccccc1 528875 MUYMDAHYYSCLCL-VGSWGCGISA-N 334.739 4.004 50 40 EIGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 1498121 SOCHORDTUPHKHA-OEAKJJBVSA-N 348.377 4.169 50 40 EIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1 4354926 MTCIIUCKROEZBG-NJAPINKUSA-N 348.837 4.180 50 40 EIGB C=CCOc1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 4401863 KDHCVBVYRTZWRR-RGVLZGJSSA-N 349.217 4.322 50 40 EIGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1cccc(Br)c1 4723212 ISCDKCCBDBSBHL-YRNVUSSQSA-N 347.237 4.365 50 40 EIGB CC[C@H](Br)C(=O)Nc1nc2c(C)cc(Cl)cc2s1 20132184 YRESHZRMXQSDLJ-QMMMGPOBSA-N 347.665 4.370 50 40 EIGB Cc1ccc(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 40961780 IGPCWEXDMQUHOG-UDWIEESQSA-N 326.465 4.361 50 40 EIGB O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc2ccccc2c1 2627243 QGINXRRJXNJGKG-UHFFFAOYSA-N 334.272 4.153 50 40 EIGB N#C/C(=C\c1ccccc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 4474707 DIHLHELCZHGLLA-GXDHUFHOSA-N 345.793 4.044 50 40 EIGB O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 4548651 FHYQMGSTEQJRRL-UHFFFAOYSA-N 333.347 4.019 50 40 EIGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1 53102350 BYJWXJVKGAFXEE-BVTUPMQUSA-N 340.810 4.133 50 40 EIGB CCCCCCCCCC[C@@H](Br)[C@H]1OC[C@H](CO)O1 101010624 OMWWOGKQMCCMAF-ZNMIVQPWSA-N 337.298 4.015 50 40 EIGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC 408748357 CJWVRBXNSQMBAL-HYARGMPZSA-N 348.402 4.011 50 40 EIGB O=C(Nc1ccc(Oc2cnc3ccccc3n2)cc1)C(Cl)Cl 1384818 CSMAPYZJYRYHIC-UHFFFAOYSA-N 348.189 4.164 50 40 EIGB CC(C)CCO[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 1614620 NQZQKOPOYAVWRM-ABAIWWIYSA-N 329.234 4.303 50 40 EIGB C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 4598799 BMVPRMMIGNYPEC-CIAFOILYSA-N 330.859 4.397 50 40 EIGB COc1ccccc1/C=C/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1 5788695 QSRLZWGLQVCGBJ-SDUVPBQSSA-N 332.403 4.036 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 14151920 HOMAFCRPYSNNHL-XNTDXEJSSA-N 347.443 4.353 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1O 5531417 JZIHLHVEKQYTQY-ZGXHQARYSA-N 348.855 4.067 50 40 EIGB COc1cc2c(cc1/C=C(/C#N)C(=O)c1sccc1C)O[C@H](C)C2 44028363 KEZKERBTWFRCML-FKZYXTMDSA-N 339.416 4.178 50 40 EIGB CCOc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1OC 408691812 RGNHIXZZORWTGH-YBEGLDIGSA-N 333.391 4.051 50 40 EIGB COc1ccc(/C(Cl)=C(\C=O)c2ccc(OC)c(OC)c2)cc1 1617208 ZJCRYHAKXRGHQK-SDXDJHTJSA-N 332.783 4.018 50 40 EIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 3616226 RGFRCJAWXFIAGH-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB CCCCc1ccc(N/C=C(\C#N)C(=O)NCc2ccccc2)cc1 101192743 QTEBSAHELVXRJB-KNTRCKAVSA-N 333.435 4.165 50 40 EIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@H]2CC[C@H]1C2 102409066 AKVPWZWFZVPZAV-LEFXRACZSA-N 341.238 4.053 50 40 EIGB Br[C@@H]1[C@H](Br)[C@@H]2[C@@H]3C=C[C@@H](c4ccccc43)[C@@H]12 104134098 ZODXXDUTGWNXPA-LEZGYBIHSA-N 340.058 4.210 50 40 EIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 409119931 UPOYKHZFRPRIOU-OTGIAGGSSA-N 332.856 4.279 50 40 EIGB Cc1ccc(SCCC(=O)N/N=C/c2ccccc2Cl)cc1 409133011 LVZHQJMHPPMNSR-XDHOZWIPSA-N 332.856 4.281 50 40 EIGB O[C@H](CBr)c1c(Br)ccc2ccccc12 2041977 OTLHAEJORVXWJZ-LLVKDONJSA-N 330.019 4.031 50 40 EIGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)c1cccc2ccccc12 3356983 IGYRAONFQMOMMD-AQTBWJFISA-N 341.366 4.173 50 40 EIGB COc1cc(Br)ccc1-c1ccc(/C=C/C(=O)Cl)o1 57353760 KGGSGDSDBFMHJD-QPJJXVBHSA-N 341.588 4.496 50 40 EIGB Cc1ccc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)s1 71335806 FSQJNUGNXILXRF-CIAFOILYSA-N 348.427 4.444 50 40 EIGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)N1CCCC1 409374192 YMXDHNBRZZDOTR-GHRIWEEISA-N 334.419 4.156 50 40 EIGB CO[C@@H](C(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)c1ccccc1 4714658 FBMJWZSWRHYBLP-QTCOBDOFSA-N 338.451 4.212 50 40 EIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)c1 24657220 IHUMZHBTPSZEDL-GHRIWEEISA-N 349.434 4.432 50 40 EIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 256673 CRTYSJFWAHLVPH-AWQFTUOYSA-N 332.190 4.239 50 40 EIGB CCc1cc(C)cc(OCCOc2ccccc2C=C(C#N)C#N)c1 4510830 NBXAIDDTOAYJFE-UHFFFAOYSA-N 332.403 4.446 50 40 EIGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6825076 RPUKBLJFQBOFKM-RVDMUPIBSA-N 349.390 4.438 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)c1cc2ccccc2cc1O 7949801 GXQBTNMJXVIYEX-PXLXIMEGSA-N 332.403 4.284 50 40 EIGB Cc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 20249018 BCDDYWSYHKVGMA-XDHOZWIPSA-N 332.856 4.281 50 40 EIGB CC(/C=C\c1ccccc1)=N\NC(=O)c1cc(C)nc2ccccc12 33296524 AZCVJMCIKSIGAM-SADLLIEUSA-N 329.403 4.362 50 40 EIGB Cc1ccc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)s1 3228890 ZIFSDFGVYVNCBE-UDWIEESQSA-N 337.448 4.228 50 40 EIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cn1 4464305 ZOCLPLNPEGTHPV-NHDPSOOVSA-N 339.782 4.067 50 40 EIGB CCCCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O 100070823 HDEBCDIRXKZYJG-HOCLYGCPSA-O 334.908 4.058 50 40 EIGB CCOc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1 100988849 PBCGTLXSIBFCPE-SXGWCWSVSA-N 342.402 4.094 50 40 EIGB Brc1ccccc1CCCCI 212372768 DQYQCWXXWVKRPJ-UHFFFAOYSA-N 339.014 4.207 50 40 EIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1C 408803542 QHACNAHXTOQBBB-SFQUDFHCSA-N 348.402 4.114 50 40 EIGB ClCCN(CCCl)c1cccc(CN2CCCCCC2)c1 1763128 CDMGDGQUJZIERM-UHFFFAOYSA-N 329.315 4.347 50 40 EIGB CC1=Nc2ccccc2N=C(NC(=O)[C@H](C)Cl)[C@H]1c1ccccc1 6248193 NQXIUQUINBVQDZ-YVEFUNNKSA-N 339.826 4.350 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl 8227464 RMUWLGPJXKNQRM-LFIBNONCSA-N 341.794 4.389 50 40 EIGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 53101930 AMBJFTWTOQVZHH-XYOKQWHBSA-N 330.746 4.033 50 40 EIGB CSc1ccc(/C=N/NC(=O)c2cc(F)c(F)cc2Cl)cc1 59461494 ODJIUJNIQCARAH-UFWORHAWSA-N 340.782 4.104 50 40 EIGB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](Cl)C(=O)c1ccccc1 100746113 ISTSVXFFTHELRX-ZDUSSCGKSA-N 342.609 4.422 50 40 EIGB Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(Br)cc1 297766 QVNLLEFLGISSAQ-VCHYOVAHSA-N 346.228 4.222 50 40 EIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2Cl)c1 580208 NKSPBJFGWUIIGV-SRZZPIQSSA-N 344.842 4.301 50 40 EIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 7159265 DQXICNAUUSRYQE-NBVRZTHBSA-N 332.403 4.359 50 40 EIGB Cc1ccc(NC(=O)N/N=C/c2ccc(N3CCCC3)cc2)c(C)c1 59105026 JLCAWULLCMQTDE-KGENOOAVSA-N 336.439 4.059 50 40 EIGB N#C/C(=C\c1cn(CCC(N)=O)c2ccccc12)c1cccc(Cl)c1 408598473 BEDHUGVJBWDMKY-XNTDXEJSSA-N 349.821 4.234 50 40 EIGB C/C(=N/NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(-c2ccccc2)cc1 5816708 OFHBZGMPFLLZTF-HMAPJEAMSA-N 344.418 4.108 50 40 EIGB CCCN(CCC)c1ccc(/C=N\NC(=O)Cc2cccs2)cc1 33304763 IZSXQUJGOXYMIF-HKWRFOASSA-N 343.496 4.067 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102380892 DRNISQFRIZSJKT-RGDCUWKTSA-N 348.874 4.344 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)c1 408742980 DDHOIGSGTPYIGB-VBKFSLOCSA-N 340.386 4.019 50 40 EIGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(CC)CC)ccc32)cc1 377679 XKFXMKDDWOOUJC-OAQYLSRUSA-N 347.462 4.313 50 40 EIGB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=O)[C@@H](C)Cl)cc2Cl)C1 34776837 SZCPRSXBUGSUHN-GRYCIOLGSA-N 329.271 4.388 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)c2ccsc2)cc(Cl)c1OC 96307378 RVAYKFXWKZDAKD-LFYBBSHMSA-N 333.796 4.209 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 208207637 MNODIBAKFXMELA-YQCVNYCESA-N 349.478 4.481 50 40 EIGB N#C/C(=C/c1ccc(O)c(Br)c1)c1cccc(C#N)c1 408568437 UGZTXQPXSXXFAA-NSIKDUERSA-N 325.165 4.091 50 40 EIGB Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c2ccccc21 503808 DGEBZIFQGKSHFW-JLHYYAGUSA-N 335.794 4.377 50 40 EIGB Cc1cc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c(C)o1 2658671 IEJYOJGJILUFQF-KEBDBYFISA-N 326.327 4.059 50 40 EIGB COc1ccc(-n2cccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1 6230656 UPLMEAKVRLMZCZ-SSZFMOIBSA-N 345.358 4.458 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1)c1ccccc1 6587427 ORRNCMAPQFSPTN-YYTPVVGHSA-N 344.336 4.490 50 40 EIGB C/C(Cc1ccccc1)=N/NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12 13896756 SHESVGPBFIRKIF-JLPGSUDCSA-N 347.462 4.370 50 40 EIGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C 408779279 CQQRFDJVMOKMSL-UNOMPAQXSA-N 335.451 4.088 50 40 EIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-] 111680245 AUJGFXLETCBZHJ-LCYFTJDESA-N 341.754 4.102 50 40 EIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1cccc2ccccc12 408853716 WYWDWWOWAPMNAP-XQNSMLJCSA-N 339.398 4.394 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)o2)c1C 408853898 ZIQXVRBBCBHNEJ-VBKFSLOCSA-N 335.407 4.042 50 40 EIGB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)O[C@@H]2[C@H](Br)c1ccccc1 3846031 QYWCYKSLJQCHDH-WVZRYYJFSA-N 337.257 4.491 50 40 EIGB CCOC(=O)c1c(NC(=O)CCCCl)sc2c1CC[C@@H](C)C2 1895359 FFAJXNALFXGHJB-SNVBAGLBSA-N 343.876 4.007 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Br)s1 34852895 ZPURIMFBSXFTQN-FLIBITNWSA-N 347.237 4.365 50 40 EIGB Cc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)c1C 58928050 ZEDKFPSRIZGACK-WSDLNYQXSA-N 332.403 4.235 50 40 EIGB COc1ccc(C(=O)CCCCBr)cc1C(F)(F)F 575360797 MYLJNJTXZZUCNQ-UHFFFAOYSA-N 339.151 4.462 50 40 EIGB O=C(CCl)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 87754 NPJLJSHSKXVBGF-UHFFFAOYSA-N 348.185 4.495 50 40 EIGB N#CC(Nc1cccc(Cl)c1Cl)=C1C(=O)c2ccccc2C1=O 150421 LFVCJKYCHCBXHF-UHFFFAOYSA-N 343.169 4.262 50 40 EIGB C/C(=N\NC(=O)C1CCCCC1)c1cccc(NC(=O)C(C)(C)C)c1 5516905 HVHWWJULVYYDIK-HYARGMPZSA-N 343.471 4.092 50 40 EIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)=O)cc2)c1C 7608386 DEEVLDQJUBQFSP-XDHOZWIPSA-N 349.434 4.263 50 40 EIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 59116860 MMKKPENKRXEKCF-QINSGFPZSA-N 338.794 4.450 50 40 EIGB CC1CCN(C(=O)c2cc(Cl)c(SC#N)c(Cl)c2)CC1 59842976 DFLSKZFAYSWEGZ-UHFFFAOYSA-N 329.252 4.439 50 40 EIGB N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccco1 409130249 GWHDOAVOSCZFSO-CYBMUJFWSA-N 344.823 4.205 50 40 EIGB CC(C)(C)[Si](C)(C)O/N=C(\c1ccc(CO)cc1)C(F)(F)F 1570007169 YGHAFBVTRPTVQA-CPNJWEJPSA-N 333.426 4.467 50 40 EIGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCC1 258441 AWLICBRSNYAEQP-XMHGGMMESA-N 346.430 4.231 50 40 EIGB Cn1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21 1440628 LWNCQDDAEOYCHK-OEAKJJBVSA-N 341.414 4.024 50 40 EIGB O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)Nc1ccccc1 33285428 ZRJMWPQFQMUBAA-JCMHNJIXSA-N 345.402 4.421 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)c1C 58927938 GRNGBTJMFWFGEP-DDLUMYACSA-N 326.465 4.243 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCc1cccs1 59534268 CRMKMCAGWIZOML-RVDMUPIBSA-N 348.427 4.133 50 40 EIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1nc2ccc(F)cc2[nH]1 408568911 LLFYXQQITAKSQF-RAXLEYEMSA-N 344.349 4.262 50 40 EIGB CC1=C(C#N)C(=O)O[C@]1(C)[C@@H](CC(=O)c1ccccc1)c1ccccc1 1609355 RAWPQWPJWSEZEZ-UGKGYDQZSA-N 345.398 4.199 50 40 EIGB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)c1ccccc1Br)C2 5415603 GSFCHKIKFJHWSE-NRWCZATHSA-N 349.272 4.381 50 40 EIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCC1 16438073 OCDGKERFSHGYFS-SDNWHVSQSA-N 326.783 4.129 50 40 EIGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(N)=S 38201136 OWRPZBRJQGDZFX-NTEUORMPSA-N 328.824 4.112 50 40 EIGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1cccc2ccccc12 408925921 UXTAAPADSCVSRE-FOWTUZBSSA-N 342.354 4.084 50 40 EIGB N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccco1 409130252 GWHDOAVOSCZFSO-ZDUSSCGKSA-N 344.823 4.205 50 40 EIGB COCc1ccccc1CP(=O)(c1ccccc1)c1ccccc1 3099491 PWBCTGUMCNOHOW-UHFFFAOYSA-N 336.371 4.347 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1)c1ccccc1 6175498 PIBJZWJVZVEMMJ-ATTDUZETSA-N 344.336 4.490 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 20248514 KCDHJWGJTUUSFY-OOWUWCJESA-N 326.465 4.441 50 40 EIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)c2ccccc2)cc1OC 409066889 MYAYXOVKGOUXSF-XSFVSMFZSA-N 329.399 4.500 50 40 EIGB O=C(NNc1ccnc2cc(Cl)ccc12)c1cccc(Cl)c1 8191175 BWSFIKKQTBYGGM-UHFFFAOYSA-N 332.190 4.299 50 40 EIGB N#C/C(=C/c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 35315688 IWZGUMGMMZQKLY-JYRVWZFOSA-N 329.153 4.421 50 40 EIGB N#C/C(C(=O)[C@@H](Cl)c1ccccc1)=C1\Nc2ccccc2S1 100389180 SLCFHYQTKOTNNL-ZKMNFCBKSA-N 326.808 4.489 50 40 EIGB Cc1sc(NC(=O)CCl)c(C(=O)c2ccccc2Cl)c1C 415538 ZJKWVAAKMWJHHD-UHFFFAOYSA-N 342.247 4.427 50 40 EIGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 6845830 WAEGYBRIYFJPPH-LPYMAVHISA-N 347.443 4.305 50 40 EIGB CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 409009498 ANOBMRRIPMPIKG-DJKKODMXSA-N 337.206 4.042 50 40 EIGB Cn1c2ccccc2c2cc(/C=N/NC(=O)Cc3ccccc3)ccc21 2754565 LTVINVKDFQAZIJ-HZHRSRAPSA-N 341.414 4.024 50 40 EIGB CC(/C=C\c1ccccc1)=N/NC(=O)c1cc(C)nc2ccccc12 5730319 AZCVJMCIKSIGAM-GEJVTCPSSA-N 329.403 4.362 50 40 EIGB CCOC(=O)Cc1cc(S(F)(F)(F)(F)F)ccc1[N+](=O)[O-] 101651214 UFSKYJYVIQNZRQ-UHFFFAOYSA-N 335.250 4.358 50 40 EIGB CCCCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)CCC3)cc1 6203937 ILIWILCLJUDTNE-PXLXIMEGSA-N 336.435 4.118 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1csc2ccccc12 51517605 OARXQNCPBPTGOE-KEBDBYFISA-N 333.416 4.455 50 40 EIGB N#C/C(=C/c1cccc(Br)c1)c1ccc2c(c1)OCO2 409364194 NLQMIWULNKAGHS-MLPAPPSSSA-N 328.165 4.242 50 40 EIGB CC(/C=C/c1ccco1)=N\NC(=O)CNc1ccc2ccccc2c1 5221585 NJGJNLYYIRGPDT-QIHXSDHKSA-N 333.391 4.050 50 40 EIGB COc1ccc2cc([C@H](C)C(=O)NN(C)c3ccccc3)ccc2c1 8358458 DCCUJYLUIFACAL-HNNXBMFYSA-N 334.419 4.120 50 40 EIGB Cc1ccccc1Nc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)OC2=O 8457062 JOOJLUNDXJSSMG-UHFFFAOYSA-N 348.314 4.111 50 40 EIGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(Cl)cc1 17063115 ZTUAJYARNSCRID-KJEGEIMOSA-N 344.201 4.051 50 40 EIGB O=C1C=C/C(=N/c2ccc3c(c2)[C@@H](Br)c2ccccc2-3)O1 104384983 PIDZTHONYVXGQW-STZPCZCHSA-N 340.176 4.294 50 40 EIGB N#C/C(=C/C=C/c1ccco1)C(=O)Nc1ccc(Br)cc1 408743814 HNFXVLDMECTUHH-SJBOZLQKSA-N 343.180 4.144 50 40 EIGB O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(Cl)c1 12934795 ICTAKORBWAJOBV-UHFFFAOYSA-N 331.590 4.190 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 59133267 IZCXDOMYJULBQT-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB COc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)cc1 72777386 HFFQTDDFXIULMC-MRXNPFEDSA-N 339.526 4.068 50 40 EIGB biogenic O=P(c1ccccc1)(c1ccccc1)[C@@H](O)/C=C/c1ccccc1 159134 ZFUGWECZPUGMDF-LVWMNBHTSA-N 334.355 4.032 50 40 EIGB Cc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 59830 UPEKHTCNHPKAAL-VXLYETTFSA-N 332.856 4.032 50 40 EIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1Cl 5515476 UCQCRDUSDOTKCH-MDBUFAAASA-N 332.856 4.112 50 40 EIGB N#Cc1c(N/C=C(/C=O)c2nc3ccccc3o2)sc2c1CCCC2 5605047 NACYFKKFYSIIBY-BENRWUELSA-N 349.415 4.292 50 40 EIGB Cc1cc2nc3c(nc2cc1C)[C@@H]1C[C@@H](Br)CC[C@@H]1N3 6281619 CEBATRSHQHHJHR-TUAOUCFPSA-N 332.245 4.072 50 40 EIGB CC/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(C)cc1 17071960 ADMOYQJTTRHNQJ-KNTRCKAVSA-N 345.240 4.302 50 40 EIGB CCCn1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 20195328 GWLVNMSJSMKJBC-OEAKJJBVSA-N 347.462 4.361 50 40 EIGB N#CSCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 216857760 KGORQWMOERVYBG-UHFFFAOYSA-N 343.795 4.301 50 40 EIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 408808171 FHPIOTIHAHJVSQ-KPYTVTDISA-N 326.440 4.076 50 40 EIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(F)(F)F)o1 409215954 GWGYMYNYENWXIR-LUAWRHEFSA-N 335.281 4.435 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1Cl)[C@@H]1C[C@H]1c1ccccc1 51218 TZSWVFPXTOCTJC-UOSQKUFASA-N 333.218 4.247 50 40 EIGB N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 2886649 VUYXVKYFPSTYEG-OBGWFSINSA-N 331.419 4.223 50 40 EIGB N#C/C(=C\c1ccc(Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 4321832 ICTDDTIIOMHNBC-GXDHUFHOSA-N 345.793 4.044 50 40 EIGB CCC[C@H](Br)C(=O)Nc1nc2c(C)cc(C)cc2s1 20132525 YIXNZZMPLSLBDA-JTQLQIEISA-N 341.274 4.415 50 40 EIGB CCCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC 23217908 ULIYOIDQVYFSTQ-FOWTUZBSSA-N 347.418 4.435 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@H]1C[C@H]2CC[C@H]1C2 106272314 DRNISQFRIZSJKT-GQNTZDPFSA-N 348.874 4.344 50 40 EIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1CC 408868228 OKIRHSINGFLEIZ-NBVRZTHBSA-N 332.403 4.359 50 40 EIGB Cc1sc(NC(=O)CCl)c(C(=O)c2ccc(Cl)cc2)c1C 166043 SLIAPOPSOWGOSF-UHFFFAOYSA-N 342.247 4.427 50 40 EIGB Cc1ccc2c(c1)[nH]c(=S)n2/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 5504086 ZULRCWHRUIVACX-RAXLEYEMSA-N 336.376 4.437 50 40 EIGB C/C(=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(C)C 48342005 QMTZVTHAPWWLNN-OEAKJJBVSA-N 332.407 4.059 50 40 EIGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1ccc(F)cc1 59301901 CZMFITJISGSGAL-SQFISAMPSA-N 331.350 4.162 50 40 EIGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1ccc2ccccc2c1 96504874 WABRWADIGASMCE-ODLFYWEKSA-N 329.355 4.367 50 40 EIGB Br[C@@H]1[C@H](Br)[C@@H]2[C@H]3C=C[C@H](c4ccccc43)[C@@H]12 104134095 ZODXXDUTGWNXPA-CLHCLYRXSA-N 340.058 4.210 50 40 EIGB O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 159100 SDGVOLSRGYXYSM-LJQANCHMSA-N 342.762 4.345 50 40 EIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C1\CCCC[C@H]1CCC#N 5370455 CTQXXWRTJKPEEY-OZBMMWBBSA-N 329.469 4.133 50 40 EIGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(N)=S 33769342 YTZHRJASYPAIBH-RIYZIHGNSA-N 328.824 4.112 50 40 EIGB CCCCCCCOc1ccc(NC(=O)CBr)cc1 100119360 ZVTUJPADNAQVGL-UHFFFAOYSA-N 328.250 4.369 50 40 EIGB N#CSCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 216857546 DDWDJJCLKNNWKV-UHFFFAOYSA-N 325.418 4.116 50 40 EIGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409045776 HMXWLCKQGBZGBK-SPCBRMSGSA-N 340.398 4.362 50 40 EIGB O=C(/C=C/c1ccsc1)NN(Cc1ccccc1)c1ccccc1 32255711 CIQXZPWANTUCSV-VAWYXSNFSA-N 334.444 4.499 50 40 EIGB O=C(Cl)c1cccc(OCc2ccc(Br)cc2)c1 40451531 VYRZOJIGHZBUPB-UHFFFAOYSA-N 325.589 4.407 50 40 EIGB N#C/C(=C\C1[C@H](Cl)CCC[C@H]1Cl)C1CCC([N+](=O)[O-])CC1 104159804 WRNXYQJMDGJCID-YRXDVELYSA-N 331.243 4.287 50 40 EIGB C#CCn1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc21 408544952 WHAKPODDLYYCPM-ATVHPVEESA-N 326.355 4.037 50 40 EIGB CC1(C)[C@@H](CBr)CC[C@]1(C)C(=O)Oc1ccccc1 3845945 CERIJVMFMSRHSU-MLGOLLRUSA-N 325.246 4.429 50 40 EIGB biogenic O=C(NN=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1 4599128 FSGDAILHCSDWIH-UHFFFAOYSA-N 339.398 4.350 50 40 EIGB COc1ccc(C(=O)N/N=C/C2=C(c3ccccc3)[C@H]3C=C[C@@H]2C3)cc1 4902714 WVVIFNLXHIGWDW-ZJVOPBEPSA-N 344.414 4.071 50 40 EIGB CC(=O)c1ccc(N/C=C(/C=O)c2nc3cc(Cl)ccc3o2)cc1 5260829 XPGJOQYREWAREG-LCYFTJDESA-N 340.766 4.336 50 40 EIGB CCOc1ccc(C(=O)N/N=C(\C)c2cccc3ccccc23)cc1 20764259 DUXJRARRVFOJAZ-PXLXIMEGSA-N 332.403 4.393 50 40 EIGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)CNc1cccc(C)c1 23410937 ZWSLCQZKUIMYDM-GBQUXEJJSA-N 333.435 4.169 50 40 EIGB Fc1c(F)c(CBr)c(F)c(F)c1CBr 100229232 WTBYGXCRADGSLY-UHFFFAOYSA-N 335.920 4.033 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c1 408960530 MNBGEMUUINCMBM-JXAWBTAJSA-N 331.419 4.141 50 40 EIGB N#C/C(=C\c1cc2ccccc2nc1Cl)c1nnc2n1CCCCC2 5525112 ZMKXPZDINJBCGC-RVDMUPIBSA-N 349.825 4.270 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 6935365 HNTFZYWZBDHBHL-NISQSXRWSA-N 334.419 4.260 50 40 EIGB COCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 59033085 KFVKNKTWSKZVOX-UHFFFAOYSA-N 335.407 4.017 50 40 EIGB CCOc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1 409123947 GCFVFZGRGFVNQM-XSFVSMFZSA-N 342.464 4.026 50 40 EIGB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cl)C(=O)c1ccccc1 118217 SOGOIEQJXCAMJF-CYBMUJFWSA-N 341.716 4.134 50 40 EIGB N#C/C(=C\c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 1977558 YRDVWVSXHLETPA-UKTHLTGXSA-N 329.153 4.421 50 40 EIGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NCc1ccco1 7157054 RQTQRTGMHRSEJL-SFQUDFHCSA-N 344.370 4.295 50 40 EIGB N#CC(C#N)=C1C=C2C=C(N3CCc4ccccc4C3)CC[C@H]2CC1 25326535 ZLOWVUKUYOVDQM-QGZVFWFLSA-N 327.431 4.403 50 40 EIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@H]2CC[C@H]1C2 102409062 AKVPWZWFZVPZAV-IRTBAXMESA-N 341.238 4.053 50 40 EIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1 408761354 ITMCGYCNQBCNHR-LICLKQGHSA-N 343.342 4.294 50 40 EIGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409045772 HMXWLCKQGBZGBK-HQNYPKAYSA-N 340.398 4.362 50 40 EIGB CCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 148346 CVFUCIZIZUHEMP-GZTJUZNOSA-N 347.823 4.077 50 40 EIGB C[C@H](/C=N/NC(=O)c1ccccc1O)Cc1ccc(C(C)(C)C)cc1 4091394 ZYPNYVXGZUYXTK-WXUSHSQQSA-N 338.451 4.284 50 40 EIGB Cc1cc(C(=O)/C(C#N)=C\c2ccncc2)c(C)n1-c1ccccc1F 5570649 SDEHMIKZPYRSFB-ATVHPVEESA-N 345.377 4.418 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 192695972 JWARVUWZWKBXRI-XYOKQWHBSA-N 330.746 4.033 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)o1 408589896 NIUCDJCTCSEVIO-CIAFOILYSA-N 335.407 4.068 50 40 EIGB CC(C)(C)c1[nH]nc2c1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 483509 JDZIXYQCYRMXHI-MRXNPFEDSA-N 344.418 4.079 50 40 EIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)cc1 516902 JXXHTBSRQLENFT-LFIBNONCSA-N 336.416 4.123 50 40 EIGB Cc1cc(C)c(SSc2nnnn2-c2ccccc2)c(C)c1 5573029 JGTXTOWSOSIGCT-UHFFFAOYSA-N 328.466 4.387 50 40 EIGB Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)c1nc2ccccc2[nH]1 6025117 YQOUCMSBMAUESN-VBKFSLOCSA-N 339.402 4.430 50 40 EIGB CCOc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12 40139928 PCZRHMPQSXTDMV-NTEUORMPSA-N 334.350 4.496 50 40 EIGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccccc2F)cc1 48248437 PTHIESQOMUZZRO-HZHRSRAPSA-N 347.393 4.358 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)cc1 408788436 FMUSBINTWISBQE-XNTDXEJSSA-N 340.810 4.457 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1 408889994 MGYBLQAZDKHCGH-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1C 408995879 BUYHMXAVRFDHPY-CIAFOILYSA-N 335.407 4.068 50 40 EIGB COC(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 4525961 XVWNSPJVBWRXAV-FYJGNVAPSA-N 334.375 4.109 50 40 EIGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 4953581 SXDZXCSGPDUJIU-MDWZMJQESA-N 341.754 4.102 50 40 EIGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 6343527 AFVVECNWAPJAAQ-ATVHPVEESA-N 349.390 4.265 50 40 EIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(Cl)c1 33863129 OCVNSURGIJXKEI-CIAFOILYSA-N 338.794 4.266 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCC(C)CC2)o1 252487858 ICRVSXZTLIVECN-GHRIWEEISA-N 349.434 4.370 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3F)c2C)c1 408760526 AEZCVGQSKYMBMY-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB O=C(NNc1ccc(F)c(F)c1F)Nc1ccccc1C(F)(F)F 58304497 BXCWQGDADCLBTP-UHFFFAOYSA-N 349.234 4.271 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1cccc(Cl)c1 59138391 RLVYNTLKVYOQTE-RAXLEYEMSA-N 341.798 4.079 50 40 EIGB CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1 408737007 GLAYLHLCABRDBO-XQNSMLJCSA-N 349.434 4.281 50 40 EIGB Cc1ccc(-n2cccc2/C=N\NC(=O)c2cccs2)cc1Cl 409018035 HEGLSVWAFPQUNM-ODLFYWEKSA-N 343.839 4.265 50 40 EIGB COc1ccc(-c2csc(/C(C#N)=C\c3ccco3)n2)cc1OC 4807540 GNVMBDCAGVVKRI-JYRVWZFOSA-N 338.388 4.484 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 20197848 ZZWFYBKQZKDYQC-KGENOOAVSA-N 340.423 4.027 50 40 EIGB N#C/C(=C\c1cccc(OCc2c(F)cccc2Cl)c1)C(N)=S 408544690 WRHXIRQIAJQQMV-KPKJPENVSA-N 346.814 4.251 50 40 EIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C[C@H]3CC[C@H]2C3(C)C)c1 408948253 CKZJQTGUHJTMGW-QIFKTUPQSA-N 342.483 4.426 50 40 EIGB CC1=C/C(=N/c2ccc(N(CCCl)CCCl)cc2)C=CC1=O 4773921 WZTDEQLZETUTBT-HMMYKYKNSA-N 337.250 4.128 50 40 EIGB O=C(CNc1ccccc1F)NN=C1CCC(c2ccccc2)CC1 4933849 XVIIPJPRPDCGFJ-UHFFFAOYSA-N 339.414 4.068 50 40 EIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)cc1 5808405 JMESLIHZAMZKFN-VKAVYKQESA-N 349.434 4.087 50 40 EIGB C/C(CCc1ccccc1)=N/NC(=O)c1ccc(Br)cc1 12362199 DDOLTSMJOWBXBS-UYRXBGFRSA-N 345.240 4.188 50 40 EIGB CC(C)CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 48498 XOMMUHWPLYTJFP-CIAFOILYSA-N 344.842 4.415 50 40 EIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cccc(Cl)c2)c1 59473559 GZWIMKMRQFXAFM-KEBDBYFISA-N 346.883 4.340 50 40 EIGB Cc1nc(-c2ccccc2)sc1C(=O)N/N=C/C=C/c1ccco1 63370761 AJUXJQNJAPLPNS-QJEBJFPOSA-N 337.404 4.141 50 40 EIGB CCc1ccc(-c2nc3cc(NC(=O)CSC#N)ccc3o2)cc1 216855527 AYRILKLNRZKACF-UHFFFAOYSA-N 337.404 4.210 50 40 EIGB C#CCn1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21 408567867 GNQRKEAKUJOXIZ-UVTDQMKNSA-N 340.361 4.354 50 40 EIGB C=C(CBr)[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 1857795180 RNICKLQSKZGSHV-JOCQHMNTSA-N 332.282 4.363 50 40 EIGB Br[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100787643 ITYQQMUYDSRWHW-UHFFFAOYSA-N 342.196 4.290 50 40 EIGB Cc1ccc(C(=O)C(Br)C(=O)c2ccc(C)cc2)cc1 100801963 LLMHCMQMRWLTLS-UHFFFAOYSA-N 331.209 4.133 50 40 EIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 5792373 CNRHNYAUYHXWFK-NTEUORMPSA-N 326.783 4.203 50 40 EIGB O=C(N/N=C\c1ccc(F)cc1)C(c1ccccc1)c1ccccc1 33329280 YXNGDXMAEAKYPX-HAHDFKILSA-N 332.378 4.108 50 40 EIGB O=C(Nc1ccccc1)NN(Cc1ccccc1)Cc1ccccc1 33653576 ZCPYRFBWDRJKQY-UHFFFAOYSA-N 331.419 4.426 50 40 EIGB COc1ccc([C@@H]2CC(=O)N(c3ccccc3)/C(=C/C#N)S2)cc1 97015714 HXCXLGBEAASEFQ-BEWREHSGSA-N 336.416 4.271 50 40 EIGB COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)c1 207823465 APJRZMZWUGPKMZ-LCYFTJDESA-N 346.308 4.260 50 40 EIGB N#C/C(=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 408778514 VSMBWJDIHDZRRV-KAMYIIQDSA-N 332.334 4.230 50 40 EIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 408805020 IMBNGEAPXMKEMO-GLQSTZECSA-N 340.467 4.323 50 40 EIGB CC1(C)[C@H](CBr)CC[C@@]1(C)C(=O)Oc1ccccc1 3845942 CERIJVMFMSRHSU-LRDDRELGSA-N 325.246 4.429 50 40 EIGB biogenic N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)cs1 63412568 AXIWNTHQWNMLCM-NTEUORMPSA-N 334.360 4.177 50 40 EIGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 408598468 BAQORFAIYZCQMK-UUILKARUSA-N 328.711 4.041 50 40 EIGB Cc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(Cl)ccc32)c(C)c1 1320722 VZFHYIIGINIIFT-UHFFFAOYSA-N 347.805 4.304 50 40 EIGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 6341873 GTVQAAUCUZWAPT-FMIVXFBMSA-N 345.171 4.134 50 40 EIGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 23101796 NXQADOWDCAILHS-RIYZIHGNSA-N 349.371 4.488 50 40 EIGB CCCCCCCCC/C(=N\NC(N)=O)c1ccc(OC)c(OC)c1 100166325 IHJMIZVWLZNSGT-LTGZKZEYSA-N 349.475 4.217 50 40 EIGB ClCc1cc2ccc(I)cc2nc1Cl 685937061 IIGPKPYGKNQGAQ-UHFFFAOYSA-N 337.975 4.232 50 40 EIGB N#CC(C(N)=O)=C(SCc1ccccc1)SCc1ccccc1 4293605 BMTYJHLJQWHJKM-UHFFFAOYSA-N 340.473 4.074 50 40 EIGB biogenic CN(/N=C/c1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1 8091059 LIXZWDZNTOKQJU-SRZZPIQSSA-N 336.313 4.308 50 40 EIGB Cc1cccc(OCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c1 409160327 XZDWIAOBGAIZGY-WSDLNYQXSA-N 349.434 4.060 50 40 EIGB CCCCCCSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1 2062396 HYBLKCYMQMUZPK-OAHLLOKOSA-N 330.453 4.044 50 40 EIGB CO[C@H](C(=O)N/N=C(\C)CC(C)(C)c1ccccc1)c1ccccc1 4502646 AUHIQMDDXITPAX-QZMYASAMSA-N 338.451 4.234 50 40 EIGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 12362368 HABGLNMBEHOGGL-HYARGMPZSA-N 340.854 4.302 50 40 EIGB Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1[N+](=O)[O-] 44027060 HNUIWFFFWAEULG-MLPAPPSSSA-N 349.321 4.314 50 40 EIGB Cc1cccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1 75279698 BTEMMPUIBZRKHS-VXLYETTFSA-N 332.856 4.032 50 40 EIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 408805021 IMBNGEAPXMKEMO-NFUGZQSNSA-N 340.467 4.323 50 40 EIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 40948871 RGYJTRKEZNRKPG-DTQAZKPQSA-N 336.391 4.030 50 40 EIGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccccc3O)sc2c1 355659 IPWZRCOXOWPZJQ-DJKKODMXSA-N 344.823 4.333 50 40 EIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1 59138086 RUEKJIWMAUPGAP-VKAVYKQESA-N 349.434 4.378 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1Cl 408735941 ZQDVKRDMJBXZIV-NTUHNPAUSA-N 341.754 4.102 50 40 EIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Cl)cc1 408761258 CXYRYFHJSDWRCA-UFFVCSGVSA-N 340.732 4.052 50 40 EIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c3c(cccc13)CC2 408765473 PXBSNLJWKITBOL-YDZHTSKRSA-N 344.414 4.019 50 40 EIGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cccc(F)c2)cc1 4646933 XOLVSKWHCGATKN-TXSSHTDISA-N 338.426 4.377 50 40 EIGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccc(C)c(C)c1 4694193 PTPUCOZIVXHFLF-BZIJUTMKSA-N 348.446 4.444 50 40 EIGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 5718615 KKWQJZZZLDPBMY-VXLYETTFSA-N 337.206 4.156 50 40 EIGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(F)cc2s1 20132924 KHTBBQQACYLNNH-VIFPVBQESA-N 345.237 4.328 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 20197541 WKMAOYHIXOIIIY-FYJGNVAPSA-N 335.407 4.029 50 40 EIGB CCOC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 38376368 PNMMJOSSQROBFL-IUXPMGMMSA-N 327.167 4.333 50 40 EIGB C=C(Nc1ccccc1N)/C(C#N)=C/c1ccc(OCC)c(OC)c1 108993838 LSKNZCVOVRXRBL-LFIBNONCSA-N 335.407 4.209 50 40 EIGB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Cl)c1ccccc1 5785969 CJKQBALIIDQWPH-CYBMUJFWSA-N 325.151 4.167 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(C)c1O 33459983 RBGIEXGFGKUGAI-ZSOIEALJSA-N 326.783 4.208 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)cc1 408960346 LAXIXECUFYAUBQ-JXAWBTAJSA-N 331.419 4.141 50 40 EIGB N#C/C(=C\c1ccsc1)C(=O)Nc1cccc(Br)c1 448600 JEZKQHCNSASUKK-IZZDOVSWSA-N 333.210 4.056 50 40 EIGB O=C(C[C@@H](c1ccccc1)[C@@H](Br)[N+](=O)[O-])c1ccccc1 1664814 CRXLMPNUYVJICQ-HOCLYGCPSA-N 348.196 4.041 50 40 EIGB Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)c1nc2ccccc2[nH]1 23723551 YQOUCMSBMAUESN-FOWTUZBSSA-N 339.402 4.430 50 40 EIGB O=C(CCCC[C@@H]1CCSS1)Nc1nc2c(s1)CCC2 25769390 RYGRRNZTEGMGOL-SNVBAGLBSA-N 328.528 4.284 50 40 EIGB biogenic C/C(=N\NC(=O)CC1(C)SCCS1)c1cccc2ccccc12 38534994 FMDUTUQTKNMJHN-CPNJWEJPSA-N 344.505 4.266 50 40 EIGB CCCCOc1ccc([C@@H]2C(C#N)=C(S)NC(C)=C2C(C)=O)cc1 2270570 NKBVDUFLINEQBS-GOSISDBHSA-N 342.464 4.080 50 40 EIGB CC/C(C)=N/NC(=O)CSc1cc(C)c(Br)cc1C 4965238 XTMJQFWQGDFLCW-LFIBNONCSA-N 343.290 4.060 50 40 EIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1 5362366 DPEDLWRTWFEJHM-MDBUFAAASA-N 332.856 4.112 50 40 EIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 7156303 RSJZEOXAZNGGKC-NTCAYCPXSA-N 338.794 4.450 50 40 EIGB CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3ccccc3-n3cccc3)[C@@H]1C2 102985758 KEPQIIJPMCFSGS-LFBRSXSOSA-N 333.435 4.185 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c1C 408962264 XTSKRFLFDYOCBF-RGEXLXHISA-N 345.446 4.449 50 40 EIGB CCn1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc21 409243130 YVNSRGJGDSRCFK-CQUHBBLWSA-N 343.430 4.446 50 40 EIGB Cc1c(Cl)ccc2c(C(=O)NN)cc(-c3ccc(Cl)cc3)nc12 1728961 QNJIGLUYAQOADU-UHFFFAOYSA-N 346.217 4.121 50 40 EIGB CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cccs3)cc21 208439583 QOWLDJWFGSZAJK-NDENLUEZSA-N 339.464 4.144 50 40 EIGB CCOc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)c(OCC)c1 408691536 CPHMGYSWNLOAMB-WJDWOHSUSA-N 347.418 4.441 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC)c2C)cc1 409088240 KNKDJJRKVLULQN-ATVHPVEESA-N 337.423 4.069 50 40 EIGB CC1(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)SCCS1 409365825 SFPQJOUIHDKFFJ-LZYBPNLTSA-N 349.308 4.030 50 40 EIGB CCc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)cc1 5477242 GUBFDRNJAKPERI-XDHOZWIPSA-N 345.240 4.166 50 40 EIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 6209969 RHPGIBMWJCTPRI-GZTJUZNOSA-N 334.375 4.054 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC 6595940 IDIZTXXKNINZDK-YBEGLDIGSA-N 338.363 4.456 50 40 EIGB Cc1cc(/C=N/NC(=O)CC(C)C)c(C)n1-c1ccccc1Cl 20241384 DVTXXGNPHRFLKP-RGVLZGJSSA-N 331.847 4.244 50 40 EIGB N#C/C(=C\c1ccc(C(=O)O)cc1)c1nc2ccccc2n1C(F)F 23612189 RJNHNXICVKWKOQ-UKTHLTGXSA-N 339.301 4.194 50 40 EIGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)Nc1ccccc1 408819306 RFCPSVGLSNXPKO-MOSHPQCFSA-N 338.798 4.286 50 40 EIGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1cccc2ccccc12 409318705 XDSPGMPFWNEPJD-ATVHPVEESA-N 329.355 4.367 50 40 EIGB Cc1cc(C(=O)CCl)c(C)n1-c1ccc(OC(F)(F)F)cc1 2661422 UQVBEDXCYXVVIU-UHFFFAOYSA-N 331.721 4.414 50 40 EIGB COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1ccc(Cl)s1 3166149 CQOZPIWEKVDAJJ-UHFFFAOYSA-N 344.779 4.060 50 40 EIGB C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(Cl)cc1 17068482 QPFCDJISNXUMCZ-CPNJWEJPSA-N 332.856 4.114 50 40 EIGB CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc12 555706 AHUQJNDSKXYODG-FOWTUZBSSA-N 346.386 4.055 50 40 EIGB N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nc(O)c2ccccc2n1 12793674 QSMPRBKQCKECFR-XYOKQWHBSA-N 341.292 4.418 50 40 EIGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1cccc(Cl)c1 12866707 RWLFCNWMTGEELT-LPYMAVHISA-N 337.810 4.351 50 40 EIGB Cc1cc(C)c(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)c(C)c1 13141580 NNTJDICFANRPQY-LICLKQGHSA-N 329.396 4.089 50 40 EIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1 34908949 QFIVLDNJFXXQEU-VKRGHRGVSA-N 336.357 4.307 50 40 EIGB CC(C)COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 408600500 BVTLDXXLKMRTGX-RGVLZGJSSA-N 330.815 4.139 50 40 EIGB CCOC(=O)N/N=C(\C)c1ccc2c(c1)Nc1ccccc1S2 6368535 MVNJVDHGWKEFEX-YBFXNURJSA-N 327.409 4.365 50 40 EIGB CCn1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C 8089880 BRPVOQCVMABIIJ-VXLYETTFSA-N 349.887 4.021 50 40 EIGB O=C1c2ccccc2C(=O)C1(Br)[C@@H](Cl)c1ccccc1 16973228 XEPUDRPAIGCRJS-ZDUSSCGKSA-N 349.611 4.179 50 40 EIGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccccc1 408728206 WRGCSRGUMIGFEL-FYJGNVAPSA-N 334.444 4.223 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c(C)c1 408994939 IDGZQYVKMTUECC-CIAFOILYSA-N 335.407 4.068 50 40 EIGB Cn1c(/C(C#N)=C/c2c(F)c(F)c(F)c(F)c2F)nc2ccccc21 5692896 VAJOVOGKASYYKW-SOFGYWHQSA-N 349.262 4.333 50 40 EIGB O=C1C=C/C(=N/c2ccc3c(c2)[C@H](Br)c2ccccc2-3)O1 104384974 PIDZTHONYVXGQW-JFPYRBRCSA-N 340.176 4.294 50 40 EIGB CCCCCCCC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21 2223847 NLQDWUFFAQUSBW-CXAGYDPISA-N 343.471 4.240 50 40 EIGB CC(C)[C@H](Br)C(=O)Nc1ccc(Cl)c(Cl)c1 20280865 AYCPIGPJEXSCHZ-JTQLQIEISA-N 325.033 4.351 50 40 EIGB N#CC(C#N)=Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 33643200 BVQYWBMVKABCOF-UHFFFAOYSA-N 331.419 4.272 50 40 EIGB O=C(CBr)Nc1ccc(OCCC2CCCCC2)cc1 35605161 KQRAOSQYKWUPII-UHFFFAOYSA-N 340.261 4.369 50 40 EIGB Cc1c([P+](C)(c2ccccc2)c2ccccc2)c2ccccc2n1C 97983664 ZTLSVNPRYTTZSE-UHFFFAOYSA-N 344.418 4.410 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)c(C)c1 408791290 VQTQTLBJEMMWJW-XYOKQWHBSA-N 345.196 4.205 50 40 EIGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 4702522 BXGBQGBEDLOCFP-DJKKODMXSA-N 325.170 4.287 50 40 EIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 6283531 RTXHGWWMCBDCMG-FOWTUZBSSA-N 343.342 4.294 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1 7336614 BNTLAWRTSKFXMG-LFIBNONCSA-N 341.794 4.389 50 40 EIGB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CCl 12505008 FDMNMCYYOMEILT-UHFFFAOYSA-N 344.219 4.032 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)c1 408967186 QIVTXZMYAPVHQU-FLIBITNWSA-N 332.812 4.346 50 40 EIGB N#CC(Nc1ccc(Cl)c(Cl)c1)=C1C(=O)c2ccccc2C1=O 148196 WMLAMVQBQJKVLQ-UHFFFAOYSA-N 343.169 4.262 50 40 EIGB C[C@@H](Cl)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1 20132068 LBMUVIABOPYZTC-LLVKDONJSA-N 346.839 4.441 50 40 EIGB O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 59921312 NELPQCHVPYWDMV-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOCCCl 103538785 XFFONPZMPCECHE-UHFFFAOYSA-N 326.586 4.100 50 40 EIGB COc1ccc(/C(C)=N/NC(=O)c2ccc3ccccc3c2)cc1OC 253567280 JXDLFSASQOLUFQ-HYARGMPZSA-N 348.402 4.011 50 40 EIGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1 408600130 VGLVMCYYMUUBKG-PXLXIMEGSA-N 336.435 4.313 50 40 EIGB O=C(N/N=C\c1cccn1-c1ccccc1)Nc1ccccc1Cl 408842206 NTKJCIUMBRYKQI-MOSHPQCFSA-N 338.798 4.286 50 40 EIGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 408891235 NHQHQROBLCUVRO-MDWZMJQESA-N 341.754 4.102 50 40 EIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C 409102172 VBFOGKFJLIEGMA-GDNBJRDFSA-N 327.815 4.324 50 40 EIGB Cc1ccc([C@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1 393077 QPGXAGXIJHJYMA-SFHVURJKSA-N 342.427 4.134 50 40 EIGB biogenic Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccnc1 4749113 GHRGUOWJLWSPJM-WQRHYEAKSA-N 344.374 4.462 50 40 EIGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC 8206713 OTYWISUUNWZOIR-MLPAPPSSSA-N 344.754 4.330 50 40 EIGB C/C(=N\NC(=O)[C@H]1[C@H]2CCCC[C@]12C)c1ccc(Br)cc1 100251779 OXJOAEKUJZHJBA-XBMDZYEKSA-N 349.272 4.116 50 40 EIGB CNC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C 260565018 GJOMBIVPUHOZKA-GESOSKEOSA-N 339.483 4.149 50 40 EIGB O=C(N/N=C\c1ccsc1)c1cc2cc(Br)ccc2o1 408811214 KVHUMQNZGKYWCR-APSNUPSMSA-N 349.209 4.021 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 486717 XOCFSCMZWFHMPX-VXLYETTFSA-N 345.786 4.136 50 40 EIGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 4953577 YERWKSSGMNNVHV-UKTHLTGXSA-N 341.754 4.102 50 40 EIGB O=NN(CCCl)C(=O)Oc1cc(Cl)c(Cl)cc1Cl 5706825 WJSDAFAYDXCQLE-UHFFFAOYSA-N 331.970 4.368 50 40 EIGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(O)c([N+](=O)[O-])c1 5910355 XWSHMDXXRAYMOC-SDQBBNPISA-N 330.727 4.027 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 8043417 RQXXTXBGYZDQAO-HYARGMPZSA-N 331.419 4.166 50 40 EIGB CCOc1ccc(C(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1 20765002 ZVAFWCYRRFJVPZ-LPYMAVHISA-N 349.434 4.385 50 40 EIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@@H]2CC[C@@H]1C2 102126692 AKVPWZWFZVPZAV-FOYBAMRTSA-N 341.238 4.053 50 40 EIGB O=[N+]([O-])c1ccc(S[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2Cl)c([N+](=O)[O-])c1 257351334 DLPPCOIUXKIEMT-QYAIJTBZSA-N 340.788 4.167 50 40 EIGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408875380 FBPQIHKCDFWUNP-NTUHNPAUSA-N 344.773 4.423 50 40 EIGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccc(O)cc4c32)cc1 367427 LVJHANVRXQUXIS-LJQANCHMSA-N 328.371 4.072 50 40 EIGB Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1-c1ccc2c(c1)OCO2 8054331 FEKQUADRMHDDFP-LICLKQGHSA-N 343.386 4.282 50 40 EIGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 16479928 QGVSTJSBUHERCX-ZSOIEALJSA-N 331.202 4.217 50 40 EIGB N#C/C(=C\c1c[nH]c2cc(Cl)ccc12)C(=O)NCCc1ccccc1 44916730 ZFJUZXYWVTXWCW-XNTDXEJSSA-N 349.821 4.087 50 40 EIGB N#C/C(=C\Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 57414011 WPVGAKFIDPIGSG-ZHACJKMWSA-N 332.190 4.451 50 40 EIGB COC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)OC 1772820898 JISBQVMNZLUNIN-UHFFFAOYSA-N 326.230 4.032 50 40 EIGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c(C)c1 484769 QUIVCPOVDJKSBR-WSDLNYQXSA-N 338.451 4.264 50 40 EIGB O=[P@](c1ccccc1)(c1nc2ccccc2s1)N1CCCCC1 3166439 XUVPDUCDCFSPCK-JOCHJYFZSA-N 342.404 4.011 50 40 EIGB CCCCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O 100070813 HDEBCDIRXKZYJG-GDBMZVCRSA-O 334.908 4.058 50 40 EIGB CCCCCCCCCCS(=O)(=O)CCCBr 100241634 CJPJBHJZDBYSHA-UHFFFAOYSA-N 327.328 4.327 50 40 EIGB CCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC 4854696 WCIKBQDJRYEJTA-RVDMUPIBSA-N 333.391 4.045 50 40 EIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12 5776824 ODDXTSUVJFROQC-DNTJNYDQSA-N 332.190 4.239 50 40 EIGB CCCCCCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1 8971969 SNCJSBIXGCJWGL-MRXNPFEDSA-N 344.480 4.347 50 40 EIGB COc1ccc(-c2csc(N(CC(C)C)C(=O)CCl)n2)cc1 12701758 STLDCHZTVBKZIS-UHFFFAOYSA-N 338.860 4.047 50 40 EIGB Cn1c(/C=C(\C#N)C(N)=S)ccc1-c1cc(Cl)cc(Cl)c1 67299969 PVCZAXRKRQZHDU-UXBLZVDNSA-N 336.247 4.192 50 40 EIGB BrCc1ccc(Br)cc1Br 97436561 WBUUQZQZTKVJLZ-UHFFFAOYSA-N 328.829 4.107 50 40 EIGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H](C)CC 408801951 WZQYGWVMOVNONO-OVGFGYAMSA-N 336.435 4.450 50 40 EIGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 63069 DUUXXKZLGSTGFQ-SFHVURJKSA-N 347.443 4.053 50 40 EIGB aggregator COc1ccc(C(=O)CCc2cccc(NC(=O)CCCl)c2)cc1 1614064 KWNPAABPAJHGGX-UHFFFAOYSA-N 345.826 4.078 50 40 EIGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc2ccccc2s1 2396837 MSFDXRRFOKVIJW-OUKQBFOZSA-N 349.415 4.450 50 40 EIGB CCOc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc12 408976993 HLJNWXXCNUAOTB-SFQUDFHCSA-N 345.402 4.299 50 40 EIGB Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 143633 SXJBCGWDRVUTRR-PXNSSMCTSA-N 342.446 4.206 50 40 EIGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1cccs1 4502871 WJHUKJKNOFZTHX-GZTJUZNOSA-N 338.885 4.424 50 40 EIGB C[C@@H]1CC=C2[C@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 19853301 LTBLKVQJWVATAB-UVBSCNOISA-N 348.837 4.180 50 40 EIGB N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F 48288758 NSIZUHYUAZQRTM-XFXZXTDPSA-N 334.272 4.390 50 40 EIGB N#C/C(=C/c1csnn1)c1nc(-c2c(F)cccc2F)cs1 58180758 RUZVUMLPVJEBDB-YWEYNIOJSA-N 332.360 4.004 50 40 EIGB O=C(N/N=C/c1cccnc1)c1ccc(CSc2ccccc2)cc1 59473534 HSDQICWXETWXNB-HYARGMPZSA-N 347.443 4.138 50 40 EIGB N#C/C(=C\c1c[nH]c2cc(Cl)ccc12)C(=O)Nc1cccc(O)c1 61718600 XEDVSPXLKWZXNS-IZZDOVSWSA-N 337.766 4.073 50 40 EIGB FC(F)(F)[C@H](Br)COc1ccc(Br)cc1 82863577 YAPIBDXMOPUMKI-MRVPVSSYSA-N 347.956 4.154 50 40 EIGB Cc1ccccc1/C=N/NC(=O)[C@H](C)Nc1ccc2ccccc2c1 31153 DJTJGJKZVUKDOG-SITPEIFSSA-N 331.419 4.099 50 40 EIGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1 408752733 GJNZJQVFUXTJIK-OWBHPGMISA-N 326.421 4.206 50 40 EIGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1 408871951 IHHJSFHPLQWOKH-NTUHNPAUSA-N 344.773 4.423 50 40 EIGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC 409075241 QCJLGKVEUOAXDB-LFIBNONCSA-N 345.402 4.373 50 40 EIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12 5776803 CQDYUZMVMDJVLQ-KEBDBYFISA-N 343.839 4.064 50 40 EIGB N#C/C(=C/c1cc2c(cc1Cl)OCO2)c1ccc([N+](=O)[O-])cc1 33318745 OFKGWDUMEXYOAI-XGICHPGQSA-N 328.711 4.041 50 40 EIGB CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21 408815779 SBXAJPIOOKUJPT-KAMYIIQDSA-N 333.366 4.346 50 40 EIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc2ccccc12 3077955 XTVSVRXTUULFNM-OEAKJJBVSA-N 340.382 4.463 50 40 EIGB COc1cc(C)c(/C=C(/C#N)C(=O)NC2CCCCC2)cc1C(C)C 6657384 FZCKRQRCNGDOCE-BOPFTXTBSA-N 340.467 4.483 50 40 EIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC(C)C 33431713 FGUQXLFUAPRIIN-WJDWOHSUSA-N 336.391 4.028 50 40 EIGB C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2[nH]1 41977521 JHRMCEPUPCXOPS-QWHCGFSZSA-N 349.525 4.454 50 40 EIGB biogenic CC(C)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 408818250 NJXFTNWQUXPYDB-MTJSOVHGSA-N 336.391 4.232 50 40 EIGB O=C(NNc1c(F)cccc1Cl)Nc1cc(Cl)nc(Cl)c1 165978 RBKQBVOIOSZHDA-UHFFFAOYSA-N 349.580 4.330 50 40 EIGB CCCn1cc(/C=N/NC(=O)c2ccc(OCC)cc2)c2ccccc21 20764998 LDOMEOBHPVPPOM-HYARGMPZSA-N 349.434 4.214 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 32561695 YHDWIXABXORDPD-SWEXZPIWSA-N 347.462 4.317 50 40 EIGB COc1cc(Cl)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 33318746 JZHJAOKVTAPGQQ-QPEQYQDCSA-N 344.754 4.330 50 40 EIGB CC(C)CCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 1614619 NQZQKOPOYAVWRM-IAQYHMDHSA-N 329.234 4.303 50 40 EIGB Fc1cccc(Cl)c1Cn1cc(Br)c(N=C=S)n1 2536542 IFLKITWUKTWYBX-UHFFFAOYSA-N 346.612 4.221 50 40 EIGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1cccc(Cl)c1 5678725 GCMQMSXFYXJFSG-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C 16268225 SRWAMMDVUMIUOZ-NTUHNPAUSA-N 348.233 4.494 50 40 EIGB CC(C)(C)SCC(=O)NN=C(c1ccccc1)c1ccccc1 27768513 WZGUWPLVKKVHPF-UHFFFAOYSA-N 326.465 4.087 50 40 EIGB Cn1cc(/C=N\NC(=O)c2cccc3ccccc23)c2ccccc21 33366871 GHODXWVKKNWCOL-XKZIYDEJSA-N 327.387 4.095 50 40 EIGB N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)C(=O)NC1CCCCC1 409008597 YLERBHCZAUIDOJ-FOWTUZBSSA-N 345.402 4.174 50 40 EIGB O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(Cl)c1 62299 IVGBOHGVZNCJPU-CIAFOILYSA-N 338.794 4.022 50 40 EIGB Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1 143630 SXJBCGWDRVUTRR-FXAWDEMLSA-N 342.446 4.206 50 40 EIGB Cc1ccc([C@H]2CC(=O)NC(SCCc3ccccc3)=C2C#N)cc1 382530 ZDYZFURJIXWANX-GOSISDBHSA-N 348.471 4.310 50 40 EIGB O=C(NNc1ccccc1)OCCOc1ccc(Cl)cc1Cl 1652020 BHGSQPHGHMBTSU-UHFFFAOYSA-N 341.194 4.126 50 40 EIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1 5481761 UEKSADYJEBIKGR-SFQUDFHCSA-N 326.440 4.077 50 40 EIGB CCOc1cc(C)c(/C=N\NC(=O)Cc2ccccc2)cc1C(C)C 408844105 BBRGMIGGFMOOMZ-HMAPJEAMSA-N 338.451 4.210 50 40 EIGB O=C(N/N=C\c1cccn1-c1ccccc1)Nc1cccc(Cl)c1 408847008 OPJXVRDBTULSFJ-MOSHPQCFSA-N 338.798 4.286 50 40 EIGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)N2CCCC2)c1 409372395 LHPVTFVFAVPZCD-XSFVSMFZSA-N 346.430 4.103 50 40 EIGB COc1cccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1 368169 VMUHEHOEJBIYEY-LPYMAVHISA-N 344.370 4.359 50 40 EIGB O=[P@]1(Oc2ccccc2)N(CCCl)CCN1c1ccccc1 1643537 CVQCURZCJPYEAF-QFIPXVFZSA-N 336.759 4.235 50 40 EIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1 5130791 QFIVLDNJFXXQEU-FZHYZTHSSA-N 336.357 4.307 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)cc1 408727120 XGFBIFKTQHFYFP-VBKFSLOCSA-N 328.371 4.400 50 40 EIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(\C#N)c1ccccc1 409102074 URYTYRMJAJMDQR-LDADJPATSA-N 334.419 4.368 50 40 EIGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)c1 409366717 XRZSSLHRNWHYMA-JMIUGGIZSA-N 335.234 4.303 50 40 EIGB N#C/C(=C\c1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)cc1 495970 JISJVFUFOVUYCO-RVDMUPIBSA-N 349.821 4.234 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccccn1 15013727 WFRRYWRIXQRHNX-QGOAFFKASA-N 342.402 4.035 50 40 EIGB Cc1ccccc1NC(=O)N/N=C/c1ccc(N2CCCC2)c(C)c1 408857590 OOMNSTIPGCJIFP-KGENOOAVSA-N 336.439 4.059 50 40 EIGB O=S(=O)(c1ccc(Cl)cc1)[C@H]1Cc2ccccc2[C@H]1Cl 339656 YCZNBDLLYANJHE-LSDHHAIUSA-N 327.232 4.019 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccs3)c2C)c1 448776 GWPBCLLSUFCIEQ-UDWIEESQSA-N 337.448 4.228 50 40 EIGB CCOC(=O)c1c(NC(=O)CCl)sc(-c2ccccc2)c1C 3294477 JRIAVAAJDOINCD-UHFFFAOYSA-N 337.828 4.078 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)N(C)C)c(C)n1-c1ccc(C(C)(C)C)cc1 4705370 NEMRNTNAWDEILA-QGOAFFKASA-N 349.478 4.387 50 40 EIGB C/C(=N/NC(=O)Cn1ccc2ccccc21)c1c(C)cc(C)cc1C 199406090 FYZKIOYKGZWPCL-XLNRJJMWSA-N 333.435 4.107 50 40 EIGB CSc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1 408756775 TZVDESMEXZMZQC-PTNGSMBKSA-N 336.416 4.157 50 40 EIGB Cc1ccccc1[C@H]1CC(=O)NC(SCc2ccccc2)=C1C#N 9324589 HDBOGWPOHOTWDZ-QGZVFWFLSA-N 334.444 4.267 50 40 EIGB N#CSC/C(=N\OC(=O)c1ccccc1Cl)c1ccccc1 59520267 JLUAPIIDFGEVIK-XDJHFCHBSA-N 330.796 4.115 50 40 EIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cccc(Cl)c1 131858 ISDHXSMGLCCDFI-WSDLNYQXSA-N 337.810 4.055 50 40 EIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(C(C)C)cc1 381246 MJMBKPYCQJWBDG-SRZZPIQSSA-N 344.842 4.301 50 40 EIGB COc1cc(/C(C#N)=C/c2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC 500529 AKPJBFZHVLHHAA-KPKJPENVSA-N 349.346 4.157 50 40 EIGB N#C/C(=C\c1c(Cl)cccc1Cl)c1nnc2n1CCCCC2 5069656 RKSJDOJCAKEZAR-PKNBQFBNSA-N 333.222 4.375 50 40 EIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 5777614 IXJNVEREGCQFLO-LFIBNONCSA-N 343.342 4.294 50 40 EIGB Clc1cc(Br)ccc1CCI 77284801 FYOIKHJHYDLNJY-UHFFFAOYSA-N 345.405 4.080 50 40 EIGB in-vitro CC1=C2CC(=O)C=C2[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)C12CC2 196048855 YQSDGDYXPRGCRO-FUHWJXTLSA-N 334.532 4.137 50 40 EIGB in-vitro Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccc(Cl)c2)cc1 409116566 JLAWEEUKHWEXDP-OTGIAGGSSA-N 332.856 4.279 50 40 EIGB Cc1ccc(N/C(=N/NC(=O)Nc2ccccc2)C(F)(F)F)cc1 3103443 FTRSQFWPDGTVSE-UHFFFAOYSA-N 336.317 4.104 50 40 EIGB CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1 4724384 DGLMLSDBUZHVJN-CIAFOILYSA-N 344.842 4.167 50 40 EIGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccccc2)cc1C 408854614 AEZMUISNYBEABV-STZFKDTASA-N 332.407 4.250 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1 6223545 UXHBEEXEZZCIGR-GXDHUFHOSA-N 326.783 4.284 50 40 EIGB O=C(N/N=C/c1ccc(F)cc1)C1c2ccccc2-c2ccccc21 28444735 RXRUBLOZBPFRGX-YDZHTSKRSA-N 330.362 4.088 50 40 EIGB CC1(C)CC(=O)C/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)C1 100202301 BKHPNBVBEOHKGR-PYCFMQQDSA-N 334.419 4.219 50 40 EIGB O=C/C(=C\Nc1cccc(Br)c1)c1nc2ccccc2o1 3021209 NJFUKEBTPKLYAH-PKNBQFBNSA-N 343.180 4.242 50 40 EIGB O=c1[nH]c2ccccc2nc1[C@H](Cl)c1ccc(Br)cc1 5532383 CZPUOFKLCMAZFV-CYBMUJFWSA-N 349.615 4.014 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2C)c1 408959516 AFBKGENWIQULCF-RGEXLXHISA-N 345.446 4.449 50 40 EIGB N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@@H]1c1ccc(Cl)cc1 495159 WUXGEUYKUIZUTD-QGZVFWFLSA-N 348.789 4.417 50 40 EIGB C/C=C/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 3127082 QKYDPJIJCYEOBS-WLGVBFMHSA-N 330.472 4.457 50 40 EIGB Cc1cc(Br)c2nc(NC(=O)[C@H](C)Cl)sc2c1C 20131903 PNSVIOPBAXXVMN-ZETCQYMHSA-N 347.665 4.241 50 40 EIGB CCOC(=O)c1ccccc1[C@H](Cl)[C@@H]1OC(=O)c2ccccc21 3845513 YNIRLIIKXDLPKT-JKSUJKDBSA-N 330.767 4.055 50 40 EIGB biogenic CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(F)cc1 4813987 ODGRDARGVGUWLL-XKZIYDEJSA-N 336.366 4.142 50 40 EIGB C/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccn1 5619098 WAYPYPHZCRHHLZ-RGVLZGJSSA-N 343.839 4.412 50 40 EIGB C[C@@H](Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1)C(=O)O 59248553 NDMJQFYGBWTXAP-CDCQXCROSA-N 327.767 4.256 50 40 EIGB Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccccc1 212452203 HOKJPQITQOTHQD-LGMDPLHJSA-N 342.402 4.035 50 40 EIGB CCc1ccc(/C(C)=N/NC(=O)c2ccc(Br)cc2)cc1 6123744 AEBRKKNQCXQSET-XDHOZWIPSA-N 345.240 4.166 50 40 EIGB C/C(=N/NC(=O)c1cc(C)oc1C)c1ccc(Cl)c(Cl)c1 13943684 GVODCMUGAOPCAU-NVMNQCDNSA-N 325.195 4.357 50 40 EIGB Cc1cc(C)cc(NC(=O)N/N=C\c2cccn2-c2ccccc2)c1 408820150 VPCXIKVDDNNAHF-STZFKDTASA-N 332.407 4.250 50 40 EIGB COc1ccc(/C(Cl)=C(/C=O)c2ccc(OC)c(OC)c2)cc1 17189464 ZJCRYHAKXRGHQK-OBGWFSINSA-N 332.783 4.018 50 40 EIGB Cc1ccc(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(C)c1 20195432 PGRNDLRRVUZSGC-KEBDBYFISA-N 335.234 4.303 50 40 EIGB CCOc1cc(C=C(C#N)C#N)ccc1OCc1cccc([N+](=O)[O-])c1 113833423 MSEKTEPSHNWMOF-UHFFFAOYSA-N 349.346 4.003 50 40 EIGB CCN1c2ccc(/C=N\NC(=O)c3ccco3)cc2C(C)=CC1(C)C 208504541 ILTHXASTTCKVMM-BKUYFWCQSA-N 337.423 4.065 50 40 EIGB CCCCCCOc1ccccc1/C=N/NC(=O)Cc1ccccc1 408738523 LHWAGPLSRRKWBE-OQKWZONESA-N 338.451 4.339 50 40 EIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1Cl 409009782 BXNKGQQPPINPMT-OVMKCGGTSA-N 348.805 4.420 50 40 EIGB CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(S)N1 3888277 JUTVYLYWKQBDJI-UHFFFAOYSA-N 339.464 4.118 50 40 EIGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)C1CCCCC1 4401993 UUTIRPZWIVQEEW-CIAFOILYSA-N 349.862 4.049 50 40 EIGB CCOc1ccc(N)c(SSc2cc(OCC)ccc2N)c1 5206467 JIJJTBPMXYXKNT-UHFFFAOYSA-N 336.482 4.448 50 40 EIGB CC(/C=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)=C\c1ccccc1 12463594 GHSIJPUHTAUSGJ-AYCHGHPVSA-N 348.381 4.035 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(OCC)c1 107716714 QUXNBIRPPSLWKJ-YBEGLDIGSA-N 338.363 4.456 50 40 EIGB CCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC 408758807 RMEVPJKMDKSZPZ-HYARGMPZSA-N 348.402 4.011 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1)c1ccccc1 409237493 IXUGRPPZCJMCTA-SWEXZPIWSA-N 345.446 4.071 50 40 EIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccccc1Cl 564019 YHGIDIVRMHPJKM-KGENOOAVSA-N 341.842 4.094 50 40 EIGB C/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccncc1 5619101 VQOJDRSYWYYYCW-RGVLZGJSSA-N 343.839 4.412 50 40 EIGB BrCCc1cc(-c2cccc(Br)c2)no1 237983952 UAEHIHNLKFGKFF-UHFFFAOYSA-N 331.007 4.042 50 40 EIGB in-vitro COc1cc(C)c(/C=N/NC(=O)c2ccccc2F)cc1C(C)C 408848494 QTXDQXKBRKILNS-SRZZPIQSSA-N 328.387 4.030 50 40 EIGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cc1 408960989 PPXCFMGJSFKXFN-MOSHPQCFSA-N 342.830 4.096 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(F)cccc2Cl)cc1 81261 FLNFBWWGAQNTNE-PKNBQFBNSA-N 330.746 4.033 50 40 EIGB O=C(NNc1ccccc1C(F)(F)F)c1c(F)cccc1Cl 147145 MWSVTTMSUJQZDS-UHFFFAOYSA-N 332.684 4.255 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@H]2C)cc1 196332 OFZSVYNIWBWBQO-BRFSQIRFSA-N 330.387 4.248 50 40 EIGB C/C(=N/NC(=O)CC1(C)SCCS1)c1cccc2ccccc12 12362178 FMDUTUQTKNMJHN-UYRXBGFRSA-N 344.505 4.266 50 40 EIGB COc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1OC(C)C 33347203 MMBGZXCQHCKHHU-WJDWOHSUSA-N 338.363 4.455 50 40 EIGB O=C(O)[C@H](Br)Cc1ccccc1Sc1ccccc1 225012792 SSSFBYKHVPFOFZ-CYBMUJFWSA-N 337.238 4.228 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c2ccccc21 408870080 RTEYCDVMZMWIFZ-SPTXLCGFSA-N 349.478 4.412 50 40 EIGB Cc1ccccc1OCC(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409165292 VZCDYSMSDKWDOB-WSDLNYQXSA-N 349.434 4.060 50 40 EIGB ClCc1cc2cc(I)ccc2nc1Cl 685937437 VAGNFRDBUARPRU-UHFFFAOYSA-N 337.975 4.232 50 40 EIGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1C1CCCCC1 9324382 NBUJHTVGPMZURU-FYJGNVAPSA-N 339.439 4.080 50 40 EIGB CC(C)c1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20791973 XDWWZPIRAZJHNT-AZUAARDMSA-N 342.446 4.404 50 40 EIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1 23382735 GQYCQYGELNLBSB-WSDLNYQXSA-N 349.777 4.236 50 40 EIGB COc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCc1ccccc1 35058217 ARMPISHPPRENMA-AQTBWJFISA-N 342.398 4.072 50 40 EIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2ccccc2c1 40144582 OQXSGJOHEOLCMT-GZTJUZNOSA-N 343.342 4.294 50 40 EIGB O=C1OC(=O)c2ccc(-c3ncc(-c4ccccc4)o3)c3cccc1c23 100849572 IGCDWDXTARNDAS-UHFFFAOYSA-N 341.322 4.472 50 40 EIGB [C-]#[N+][C@@H](c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)cc1 101182366 SITYALBRRBQJJH-OAHLLOKOSA-N 339.338 4.406 50 40 EIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)cc1 408811713 WDVNBFFPHQKQGC-UOBPLZBXSA-N 348.446 4.396 50 40 EIGB CCCCCCCC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21 2223849 NLQDWUFFAQUSBW-SUMWQHHRSA-N 343.471 4.240 50 40 EIGB CCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 2790722 JKUNUZLTGRFSNI-HYARGMPZSA-N 348.402 4.098 50 40 EIGB C[C@H](/C=N/NC(=O)CNc1cccc2ccccc12)c1ccccc1 4551650 BNLFNHKOVOGSSL-BRABVMKYSA-N 331.419 4.157 50 40 EIGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1cc(C)ccc1C 4702517 LUAKHPQNGJUTMC-FBPZYPQVSA-N 348.446 4.444 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C 7158027 OBCHWKMOSDQGQY-IJOAKYOESA-N 348.446 4.450 50 40 EIGB CC(C)n1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 16185123 LYQPRPOEUGDKMA-PTNGSMBKSA-N 345.402 4.473 50 40 EIGB CCOC(=O)/C(C#N)=C\c1cc2ccc(C)cc2nc1N1CCCCC1 38204691 LAHIUFFAGKUINC-AQTBWJFISA-N 349.434 4.004 50 40 EIGB O=C(NCc1ccc(Cl)cc1)[C@@H](Br)c1ccccc1 96511365 CGTCFAKGTZKYIT-AWEZNQCLSA-N 338.632 4.092 50 40 EIGB N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1F 408817860 XAHPQBCOQJTUQB-SDNWHVSQSA-N 332.334 4.230 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)o2)c(C)c1 408847684 OAJJHBJDLVUAGV-VBKFSLOCSA-N 335.407 4.042 50 40 EIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)c1 408856431 KAJWQDWZBZXECO-LGMDPLHJSA-N 349.434 4.432 50 40 EIGB CCc1ccc(/C(C)=N/NC(=O)CNc2ccc3ccccc3c2)cc1 345681 UKAYSPOJIAOSPO-LFVJCYFKSA-N 345.446 4.355 50 40 EIGB N#CC1=C(N)Oc2nc(-c3ccccc3)sc2[C@H]1c1ccccc1 39379132 MNUVEIDIADBJRT-HNNXBMFYSA-N 331.400 4.028 50 40 EIGB Cc1ccsc1/C=N/NC(=O)[C@H](C)Sc1ccc(Cl)cc1 58915825 RPCYMVFWHHQXBB-DTQASYIRSA-N 338.885 4.341 50 40 EIGB CCCC[C@H](CC)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 98044218 ZFQKLZHCUGJSJS-CIKBWMHTSA-N 329.396 4.082 50 40 EIGB CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC(=O)c1cccc(Br)c1)C2 100922145 GGANCFYHQIQCSZ-MOMDUKOGSA-N 349.272 4.381 50 40 EIGB C/C(=N\NC(=O)C(C)C)c1ccc(OCc2ccc(Cl)cc2)cc1 343252 BYBBYNUXRXXWIC-KGENOOAVSA-N 344.842 4.415 50 40 EIGB Cc1cc(O)ccc1N/C=C(/C=O)c1nc2cc(Cl)ccc2o1 5336866 BOLQQBWRLTXMPN-FLIBITNWSA-N 328.755 4.147 50 40 EIGB N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nnc2n1CCCCC2 8056038 CDLILAXRAIRKDQ-WYMLVPIESA-N 348.381 4.468 50 40 EIGB CC(C)/C(=N\NC(=O)c1ccccc1Br)c1ccccc1 14645041 DQVFZYFUMMKVKG-KNTRCKAVSA-N 345.240 4.239 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC(C)C)cc2)cc1 144425 JWKIEOFHYJWYTF-FOWTUZBSSA-N 336.391 4.028 50 40 EIGB COc1cc([C@H](Cl)C(Cl)(Cl)Cl)cc(OC)c1OC 162792 CKHRLZJNSCRUME-JTQLQIEISA-N 334.026 4.363 50 40 EIGB CC1=C/C(=N/NC(=O)[C@H](C)Nc2c(C)cccc2C)CC(C)(C)C1 342947 LZZGQZWYUIVYME-UDWOFDDZSA-N 327.472 4.342 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc3cccc(C)c3nc2Cl)cc1 8043424 NRRGUGDUCGJDMJ-SRZZPIQSSA-N 337.810 4.269 50 40 EIGB Cn1cc(/C=C(\C#N)c2ccccn2)c(-c2cc3ccccc3o2)n1 98055248 CSHZTCXLBCGYKJ-XNTDXEJSSA-N 326.359 4.292 50 40 EIGB O=[N+]([O-])c1ccccc1S[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1Br 100474957 KKOQEMZGKXRRQE-VDUILEQBSA-N 328.231 4.249 50 40 EIGB N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(N)=O 408879397 FSESPVXLGSBINR-SFQUDFHCSA-N 346.817 4.476 50 40 EIGB CC(C)(C)OC(=O)N[C@H](CCBr)c1ccc(F)cc1 35633042 RBZPTCMSIPNDPT-GFCCVEGCSA-N 332.213 4.177 50 40 EIGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(\C#N)c1ccc(Cl)cc1 2848136 GQWAYTXSIXXGHT-NTUHNPAUSA-N 344.754 4.330 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)C2[C@H]3CCCCCC[C@@H]23)cc1 17948975 IULPEZMDZCGUBE-OGGZTBAGSA-N 328.456 4.142 50 40 EIGB Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)c1C 408837821 OHKNQTAJHGDCTA-VXLYETTFSA-N 345.240 4.138 50 40 EIGB CC1(C)[C@H]2CC[C@]1(C)C(=O)O[C@@H]2[C@H](Br)c1ccccc1 3846030 QYWCYKSLJQCHDH-QDEZUTFSSA-N 337.257 4.491 50 40 EIGB biogenic CC(=O)NC1=C(C#N)[C@@H](c2ccccc2)c2ccc3ccccc3c2O1 36612544 GPJQDPZTBMCNIY-FQEVSTJZSA-N 340.382 4.235 50 40 EIGB CSc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1 58915559 PEHDUHDBYMCDEH-YBFXNURJSA-N 344.505 4.100 50 40 EIGB CCOC(=O)[C@H](C)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1 97977135 UXBVYXCRZUIZFW-QMMMGPOBSA-N 347.305 4.025 50 40 EIGB CCn1c(C)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1C 409076180 ZDDDLVDWOSFJED-DJKKODMXSA-N 338.238 4.196 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccccc1 31075 ZJANYEFRHZDYCZ-PFRBSUFTSA-N 331.419 4.181 50 40 EIGB C[C@@H](Cl)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 3887358 OPWBFVHTCZOTCK-YGRLFVJLSA-N 337.206 4.238 50 40 EIGB COc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C 408718920 VRSUZNFLHQQONU-QYFBEIJDSA-N 336.435 4.125 50 40 EIGB Cc1cccc(CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)c1 409126244 FCWDVHLCWVCWRR-AWEZNQCLSA-N 340.473 4.329 50 40 EIGB CC[C@H](C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 370465 QNPQPOZKZAXPMV-QUYZQLMHSA-N 345.240 4.093 50 40 EIGB COc1ccc(/C=C/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 409238893 MAOLHYISDWBKJA-DMANYGQQSA-N 332.403 4.036 50 40 EIGB CC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CCl 159938 RCHMWQVJVPKYQW-UHFFFAOYSA-N 328.220 4.448 50 40 EIGB C[C@H](Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 4079082 KGXKHPXWESOOMY-YFKPBYRVSA-N 336.631 4.078 50 40 EIGB O=C(NNc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 8312770 AGHXVOMGWZLGNN-UHFFFAOYSA-N 341.154 4.050 50 40 EIGB Cc1cc(/C=N/NC(=O)CC(C)C)c(C)n1-c1cccc(Cl)c1 20241385 ZLSXHXSTXQWHBC-RGVLZGJSSA-N 331.847 4.244 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1 255738347 YZWKCNFWTRIUPL-PTNGSMBKSA-N 338.794 4.450 50 40 EIGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccco3)ccc21 2300766 KHUYXKJFHCJRPJ-FYJGNVAPSA-N 331.375 4.171 50 40 EIGB O=C(N/N=C/c1cc2ccccc2nc1Cl)[C@H]1C[C@@H]1c1ccccc1 5531512 PLWXVAFEDPZLBS-BYVAVYOLSA-N 349.821 4.142 50 40 EIGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1O 6207185 ABWNYTMWESRHOA-WQRHYEAKSA-N 349.386 4.282 50 40 EIGB CC1=C(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1 20010456 MBEXEHLTXLQTAI-MRXNPFEDSA-N 333.218 4.485 50 40 EIGB CCOc1ccc(C(=O)N/N=C/c2c(C)n(CC)c3ccccc23)cc1 20764128 FHXZGXSWVSDUNS-HYARGMPZSA-N 349.434 4.132 50 40 EIGB C=C[C@@H]([C@@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 98175051 HMCMBOCVODEDFP-VXKWHMMOSA-N 348.382 4.289 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCC(C)CC3)o2)c1 252498880 ROUYMNBSXDKXLL-GHRIWEEISA-N 349.434 4.370 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(F)c3)c2C)cc1 408737373 CQGCGHUFEPATPN-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1C 409001891 XKTPBDZUGDDPKA-CIAFOILYSA-N 335.407 4.068 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@@H]2C)cc1 196337 OFZSVYNIWBWBQO-GYZOOYGHSA-N 330.387 4.248 50 40 EIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1 221813 GPLBFKFQWHNJON-OTGIAGGSSA-N 332.856 4.112 50 40 EIGB COc1ccc(C(=O)N/N=C/C2=C(c3ccccc3)[C@@H]3C=C[C@@H]2C3)cc1 100569991 WVVIFNLXHIGWDW-JPHQKMQESA-N 344.414 4.071 50 40 EIGB CCc1noc(C)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 14196994 ZWODULFWDSMPHK-UHFFFAOYSA-N 348.617 4.263 50 40 EIGB CCOc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1Cl 33297320 OYDCQNSNMNARSL-GRSHGNNSSA-N 337.206 4.156 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 408790608 XFYXVICVXZPEOU-QGOAFFKASA-N 332.403 4.414 50 40 EIGB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)c1cccc(Br)c1)C2 276580 GGANCFYHQIQCSZ-UJINQUNPSA-N 349.272 4.381 50 40 EIGB N#C/C(=C/C1[C@H](Cl)CCC[C@H]1Cl)C1CCC([N+](=O)[O-])CC1 5328185 WRNXYQJMDGJCID-QLKCPBFQSA-N 331.243 4.287 50 40 EIGB CCOc1c(OC)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 96257191 RJNDZEKYAJJLHS-NTEUORMPSA-N 349.390 4.043 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC)c2)cc1 6947340 KBNRVEFZLBLTGS-FOWTUZBSSA-N 336.391 4.030 50 40 EIGB COc1ccc(/C(C#N)=C(/N)SCc2ccccc2Cl)cc1 31829691 HSOASQDLMMHTFW-ICFOKQHNSA-N 330.840 4.433 50 40 EIGB N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1ccc(O)cc1 33535843 AGFJUBVNXBVDCF-KAMYIIQDSA-N 348.333 4.337 50 40 EIGB O=C(CCSc1ccccc1)N/N=C/c1c(F)cccc1Cl 58916040 MXNCERJJTPWLMO-YBFXNURJSA-N 336.819 4.112 50 40 EIGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1 408959853 GYDLMKVKQLBQLE-JXAWBTAJSA-N 331.419 4.141 50 40 EIGB CCC(CC)=NNC(=O)c1ccccc1OCc1ccc(F)cc1 4964894 MOFYKJQEPFODDK-UHFFFAOYSA-N 328.387 4.311 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc(O)c3ccc(Cl)cc3n2)cc1 5072646 UEHHYKMMLXYNHJ-XYOKQWHBSA-N 337.766 4.062 50 40 EIGB O=C(N/N=C\c1ccc(-c2ccccc2)o1)c1cc2ccccc2o1 408934839 DIMLRIPOKMJCAC-BKUYFWCQSA-N 330.343 4.457 50 40 EIGB FC(F)(F)C(CCOCCCl)(C(F)(F)F)C(F)(F)F 1083806950 CMTCHBUUZDTSIF-UHFFFAOYSA-N 326.586 4.305 50 40 EIGB COc1ccc(/C(C=O)=C(\Cl)c2ccc(OC)c(OC)c2)cc1 1613539 FZIJEPNWFRYEPN-SDXDJHTJSA-N 332.783 4.018 50 40 EIGB O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(C(Cl)Cl)o1 2150480 SDHJYTQJUJNXDB-UHFFFAOYSA-N 341.599 4.177 50 40 EIGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 2583824 ZFQKLZHCUGJSJS-BRYYZUPOSA-N 329.396 4.082 50 40 EIGB O=[P@@](c1ccccc1)(c1nc2ccccc2s1)N1CCCCC1 3166441 XUVPDUCDCFSPCK-QFIPXVFZSA-N 342.404 4.011 50 40 EIGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1 5130787 QFIVLDNJFXXQEU-VSXNHXORSA-N 336.357 4.307 50 40 EIGB Cc1ccc(NNC(=O)c2ccccc2Br)cc1Cl 9500864 DMLDYSKMHOIQHB-UHFFFAOYSA-N 339.620 4.168 50 40 EIGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OC 408541157 BTOTYBWPHXZBPC-AUWJEWJLSA-N 343.766 4.120 50 40 EIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)cc1 408811707 WDVNBFFPHQKQGC-NNIWKIFQSA-N 348.446 4.396 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)c1 9201406 LQRQJKZKWMCAGR-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 16575719 UVNJZOMSQXSTBS-YBEGLDIGSA-N 335.363 4.264 50 40 EIGB CC(C)(C)OC(=O)N[C@H](CCBr)c1ccccc1F 35633054 SUWNCEQBXJGHSX-GFCCVEGCSA-N 332.213 4.177 50 40 EIGB O=C(Cl)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795630 JLPDNEGZZRIXGN-UHFFFAOYSA-N 326.542 4.220 50 40 EIGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1cccc(Br)c1 409062884 CIZYYWPBZSSVIU-UHFFFAOYSA-N 326.197 4.287 50 40 EIGB O=C(N/N=C/c1ccc(F)cc1)c1cc(C2CC2)nc2ccccc12 139019 HOBHBOLIPHSUKP-WSDLNYQXSA-N 333.366 4.015 50 40 EIGB CCOP(=S)(NC(=O)Oc1ccc(Cl)cc1C)OCC 159911 AODFMUAVGDIZTB-UHFFFAOYSA-N 337.765 4.034 50 40 EIGB O=C(Nc1cccc2ccccc12)N1CCC[C@@H](Br)C1 1722337 FDZWITNVDGBQOL-CYBMUJFWSA-N 333.229 4.231 50 40 EIGB CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2669698 GVNHVFKXHFNMPQ-HLVNSREUSA-N 340.335 4.103 50 40 EIGB Cc1ccc2[nH]c(/C(C#N)=C/c3cc4c(cc3Cl)OCO4)nc2c1 9263471 YILZFCFPYCEBNZ-LFYBBSHMSA-N 337.766 4.318 50 40 EIGB O=C(CBr)c1ccc(C(F)(F)F)c(Br)c1 169796926 DQWHFYORIRSWJH-UHFFFAOYSA-N 345.940 4.046 50 40 EIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1Cl 4902920 YWOUITPHKGUILH-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB Cc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)o1 7167079 ZOUVWSBETWUUCH-KPKJPENVSA-N 342.203 4.233 50 40 EIGB CC(/C=N/NC(=O)CNc1ccc2ccccc2c1)=C\c1ccccc1 12362140 HPBVTMSLZBMOGK-BRMJMBBHSA-N 343.430 4.457 50 40 EIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(O)c1 15938967 OFIDRHBJIHFPDY-HMAPJEAMSA-N 348.402 4.098 50 40 EIGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2)c1 16349231 ORROXTDQHCGBBN-UNOMPAQXSA-N 334.419 4.006 50 40 EIGB O=S(=O)(C[C@H](Cl)c1ccccc1)c1ccc(C(F)(F)F)cc1 153173 VESZCQLTCVWHCR-AWEZNQCLSA-N 348.773 4.459 50 40 EIGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc3ccccc3s2)cc1 2205172 PJSDGYRNIHXQPP-WYMLVPIESA-N 349.415 4.450 50 40 EIGB COC(=O)c1ccccc1N/C=C(\C#N)c1nc2ccccc2s1 2395531 UOJRJGHHORQTBH-VAWYXSNFSA-N 335.388 4.059 50 40 EIGB Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 503452 JBENCNSERKJEFG-JLHYYAGUSA-N 335.794 4.377 50 40 EIGB CC(C)(C)OC(=O)N[C@H](CCBr)c1cccc(F)c1 35633046 CYBHDUKESZKWLC-GFCCVEGCSA-N 332.213 4.177 50 40 EIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c2cc(F)ccc12 44027089 FMLMJNLZZPKBRD-WUXMJOGZSA-N 335.294 4.005 50 40 EIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1 349785 VFDVFCNWXHCWDM-MRXNPFEDSA-N 334.400 4.128 50 40 EIGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1 4481651 TYCLHXLIRXUMJK-PXLXIMEGSA-N 330.387 4.169 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)c1 408740032 COIVIMYQESBRHT-GXDHUFHOSA-N 326.783 4.284 50 40 EIGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 408956887 ZCWLRGAWOWVPQW-WJDWOHSUSA-N 349.821 4.087 50 40 EIGB N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccc(F)cc1 9087991 HDYSLLXMSWWUNR-MRXNPFEDSA-N 338.407 4.098 50 40 EIGB O=C(N/N=C/c1ccc2ccccc2c1)c1ccc2ccccc2n1 48324531 OSDRYRQBOBMFMK-HYARGMPZSA-N 325.371 4.152 50 40 EIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccccn1 5381651 FUPCGDQMVPXRPF-VXLYETTFSA-N 329.812 4.104 50 40 EIGB Cc1ccc(C(=O)N/N=C(\CC(C)C)c2ccccc2)cc1[N+](=O)[O-] 5618262 ZIWFERNSOJDNCE-LVZFUZTISA-N 339.395 4.083 50 40 EIGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)C1CCCCC1 16282486 BHPQHIYZXQZFAX-FYJGNVAPSA-N 349.862 4.049 50 40 EIGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)c1ccc(C(=O)O)cc1 33716871 HDIHOIHHDXHXDZ-XGICHPGQSA-N 334.158 4.461 50 40 EIGB COc1ccc(-c2csc(/C(C#N)=C/c3cccnc3)n2)cc1OC 44835347 GKLHFGLKBADNMR-OVCLIPMQSA-N 349.415 4.286 50 40 EIGB O=C(N[C@H](SCc1ccccc1)C(Cl)Cl)c1ccccc1 98047972 BNVXOTCDMREZAB-MRXNPFEDSA-N 340.275 4.480 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 20197584 GPGBTUSDQMLDHR-HYARGMPZSA-N 348.402 4.098 50 40 EIGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408962947 LJCDYQADISFVHE-WSDLNYQXSA-N 348.324 4.034 50 40 EIGB CC(/C=C/c1ccccc1)=N\NC(=O)c1cc(C)nc2ccccc12 254390 AZCVJMCIKSIGAM-KHRJRQINSA-N 329.403 4.362 50 40 EIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1 561485 YKBJLPFWPMNNRX-WSDLNYQXSA-N 349.777 4.236 50 40 EIGB NC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 2632437 HIJXGYCKXXKEKL-PXLXIMEGSA-N 330.391 4.159 50 40 EIGB COc1cccc2cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)oc12 3318577 LOVORNLKOAZBLA-RVDMUPIBSA-N 332.359 4.296 50 40 EIGB CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 2669696 UXJNYVPLBNNEQM-CVCOIXHCSA-N 340.335 4.103 50 40 EIGB CC(C)(C)c1ccc(O)c(/C=N\NC(=O)c2ccccc2Cl)c1 32223203 UUYIXQUQOGYAAW-JAIQZWGSSA-N 330.815 4.107 50 40 EIGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1cccc(Br)c1)C2 4018073 GGANCFYHQIQCSZ-WQUXGXPASA-N 349.272 4.381 50 40 EIGB CCCCC(O)(CCCC)C(=O)N/N=C(\C)c1ccc(OCC)cc1 4811850 VSQAUOCNHWNXSK-LTGZKZEYSA-N 348.487 4.037 50 40 EIGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccnc1 13401639 RAYYIQQFAWFTCK-BOPFTXTBSA-N 339.402 4.430 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccs1 408839853 CSYTVQGABRWQKW-MUOOZZNISA-N 338.885 4.423 50 40 EIGB O=C(CCl)N(Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 303568 BAVAUGIEJMPUOB-UHFFFAOYSA-N 339.178 4.020 50 40 EIGB O=C(Cl)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 2537750 DSOBKGBFIFBGBR-UHFFFAOYSA-N 336.722 4.003 50 40 EIGB CC[C@@H](Nc1ccc(F)cc1)C(=O)N/N=C\c1ccc(C(C)C)cc1 28640779 MHHJBIKWMFOURL-UUMRFZBWSA-N 341.430 4.290 50 40 EIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl 409377466 IJXHRXQCSROPLE-QPEQYQDCSA-N 334.206 4.089 50 40 EIGB COc1ccc2ccccc2c1/C=C(/C#N)C(=O)NC1CCCCC1 13371762 XOJOCXKOHGBCRD-SSZFMOIBSA-N 334.419 4.204 50 40 EIGB CSc1ncccc1C(=O)NN(c1ccccc1)c1ccccc1 14862531 ULOZALFNSFBEQR-UHFFFAOYSA-N 335.432 4.287 50 40 EIGB CC1(C)Cc2ccccc2C(NC(=O)Nc2ccc(F)cc2)=C1C#N 15841475 QTFXXMVJMFKAQU-UHFFFAOYSA-N 335.382 4.464 50 40 EIGB O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1 33319090 GKQQNQNSGKANCR-JCMHNJIXSA-N 330.387 4.030 50 40 EIGB Cc1cccc(-c2nc3cc(NC(=O)CSC#N)cc(C)c3o2)c1 216855635 NVGBVHGTNSZUPQ-UHFFFAOYSA-N 337.404 4.264 50 40 EIGB O=C(Nc1ccc(N(CCCl)CCCl)cc1)c1ccccc1 1762976 RZHZYIVPLZKSQX-UHFFFAOYSA-N 337.250 4.223 50 40 EIGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)OCCCl 2669517 SICIOLRYJIVWSL-PKNBQFBNSA-N 336.174 4.289 50 40 EIGB CC[C@H](Br)C(=O)Nc1nc2cc(Cl)c(C)cc2s1 20132250 HDEUVHNHALRQGN-ZETCQYMHSA-N 347.665 4.370 50 40 EIGB O=C(N/N=C\c1ccccc1OCc1ccccc1)c1ccc(F)cc1 35131984 LJARHZJQIXGIRL-UCQKPKSFSA-N 348.377 4.169 50 40 EIGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc(Cl)c1Cl 62770 BNAMMDOEDLBUSN-UFFVCSGVSA-N 346.217 4.168 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)cc1 207854866 OGQMXCLRQNDQDE-UVTDQMKNSA-N 326.783 4.284 50 40 EIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1 509157 XDDYRMYZBFEKOR-CIAFOILYSA-N 344.842 4.167 50 40 EIGB O=C(CCl)Oc1ccc(-c2ccc(Br)cc2)cc1 1621393 LQSBLSGHLRFULC-UHFFFAOYSA-N 325.589 4.260 50 40 EIGB N#C/C(=C\c1cnc(-c2ccccc2)s1)c1nnc2n1CCCCC2 98009408 UIVJVYFBGUVWNF-RVDMUPIBSA-N 347.447 4.192 50 40 EIGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1cccs1 408864271 YDSRLVLWBKIOGE-GZTJUZNOSA-N 338.885 4.175 50 40 EIGB CCOC(=O)c1ccccc1[C@@H](Cl)[C@H]1OC(=O)c2ccccc21 3845512 YNIRLIIKXDLPKT-CVEARBPZSA-N 330.767 4.055 50 40 EIGB biogenic COc1ccc(NC(=O)[C@@H](Sc2ccccc2)[C@H](C)Cl)cc1 4843863 XCJAXCVCSNMOHY-LRDDRELGSA-N 335.856 4.422 50 40 EIGB N#C/C(=C/c1cc(Br)ccc1O)c1nc2ccccc2[nH]1 11582439 RHPXRRFRODYPRJ-XFFZJAGNSA-N 340.180 4.095 50 40 EIGB CC/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1O 15938775 PMLCNGUQYVRKNG-XMHGGMMESA-N 337.206 4.243 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)CSCCc2ccccc2)cc1 408728272 YXFAGRCEEWHRGR-KGENOOAVSA-N 340.492 4.236 50 40 EIGB CCCCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br 1734251 YLXQVSUDMPPURY-ABAIWWIYSA-N 329.234 4.447 50 40 EIGB CCCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 5418921 BBYMGGNRHHYGMM-UHFFFAOYSA-N 329.352 4.383 50 40 EIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(F)cc1 59473385 LYGLQMHMMRIFFN-VSMYLPJWSA-N 336.819 4.110 50 40 EIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 1560766 ZTUAJYARNSCRID-IAXRVKRYSA-N 344.201 4.051 50 40 EIGB O=C(Cc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 4474967 PZFAXZWJMSZFJS-UHFFFAOYSA-N 342.442 4.187 50 40 EIGB CCC[C@@H](Br)C(=O)Nc1nc2cc(C)c(C)cc2s1 20132534 VUNWICVHSPLTNM-SNVBAGLBSA-N 341.274 4.415 50 40 EIGB Cc1cc(/C=N/NC(=O)CC(C)C)c(C)n1-c1ccc(Cl)cc1 20241387 MSVVLZDTEYFURL-RGVLZGJSSA-N 331.847 4.244 50 40 EIGB COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)c2ccccc12 44022549 AHFZVXTUSFXVKX-DTQAZKPQSA-N 344.418 4.230 50 40 EIGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 408885579 CGBIFYCGYRBGSP-RVDMUPIBSA-N 339.826 4.260 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)c2cccc3ccccc23)cc1 13958230 JJYTZQOANFJLRB-PXLXIMEGSA-N 332.403 4.393 50 40 EIGB CCCCOc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 59152041 QNCPIRQAJSGLND-XSFVSMFZSA-N 342.464 4.108 50 40 EIGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 107818245 QWPZDQVLTAVZJM-WJDWOHSUSA-N 348.402 4.228 50 40 EIGB COc1ccc(/C(C)=N\NC(=O)c2cccc3ccccc23)c(OC)c1 408568731 WKARITHFDDLYKC-HMAPJEAMSA-N 348.402 4.011 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)cc1C 408767770 NPPBMRILYUOVBZ-ZSOIEALJSA-N 326.783 4.208 50 40 EIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc12 409198141 YAUWYSGSIRMBHC-LFIBNONCSA-N 334.419 4.060 50 40 EIGB N#C/C(=C\c1ccccc1Cl)C(=O)NCCc1c[nH]c2ccccc12 309066 HHQXZUUWZHFNET-LFIBNONCSA-N 349.821 4.087 50 40 EIGB COc1ccccc1C(=O)N/N=C(/C)C12CC3CC(CC(C3)C1)C2 5620736 SNKJJOYCNOAPCE-BKUYFWCQSA-N 326.440 4.017 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC)cc1 6947381 FKFOBPXPJGNURB-DTQAZKPQSA-N 336.391 4.030 50 40 EIGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 59137167 RSCDZZXQJKHIOH-ATVHPVEESA-N 339.414 4.009 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc12 408807974 LVEYZSHDSWNEDE-RAEJIQIESA-N 348.446 4.450 50 40 EIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 241498 DZLLEMUZENHSMI-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB CC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(C)cc2s1 20132234 ZZMIENADWMJPIH-SSDOTTSWSA-N 347.665 4.370 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1 408940320 UWDHAYOVALWHCQ-PDGQHHTCSA-N 332.403 4.414 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2ccccc2)cc1 2805946 XWVDINAMCAXRAV-SAPNQHFASA-N 327.387 4.331 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1csc2c1CCCC2 17070929 BMNPNAHMEZZPMN-JMIUGGIZSA-N 337.448 4.181 50 40 EIGB C/C(Cc1ccccc1)=N\NC(=O)CSCc1ccccc1Cl 20249045 VWPQVQNRJHXKSX-XSFVSMFZSA-N 346.883 4.308 50 40 EIGB Cc1ccsc1C(=O)/C(C#N)=C/c1cccc2c1OCCCO2 53107968 VTOOTSQKXSUNGN-GXDHUFHOSA-N 325.389 4.008 50 40 EIGB N#C/C(=C/c1ccc(Cl)s1)C(=O)NCCCc1ccccc1 409230229 COLUBSYCDHXQRG-KAMYIIQDSA-N 330.840 4.057 50 40 EIGB COC1[C@@H](Cl)CC(/C(=C/C2CCCCC2)C(=O)O)C[C@H]1Cl 1578654 IWQCZEOMZYPGLI-YYQHNODHSA-N 335.271 4.218 50 40 EIGB Cc1c(Br)cc(C(=O)NNc2ccccc2)c(C)c1C 2703510 JVJJOZAMJCGRKS-UHFFFAOYSA-N 333.229 4.131 50 40 EIGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)Nc1ccc2ccccc2c1 4209366 NGFULPKFLKPNBO-WOJGMQOQSA-N 342.354 4.084 50 40 EIGB C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1ccc(C)s1 5618513 QAJYTTTVGUDBJP-XSFVSMFZSA-N 338.432 4.129 50 40 EIGB Cc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1 9013091 QLPPZCUEHYLKOU-KRWDZBQOSA-N 334.444 4.267 50 40 EIGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1cccc2ccccc12 58652630 DWNRBSUWWAMNKD-XQNSMLJCSA-N 331.419 4.101 50 40 EIGB O=[N+]([O-])c1ccc(S[C@H]2[C@@H](Cl)[C@H]3C=C[C@H]2CC3)c([N+](=O)[O-])c1 100012999 DLPPCOIUXKIEMT-LBLXLQPISA-N 340.788 4.167 50 40 EIGB N#CC1=C(O)/C(=C/C=C\c2ccccc2)N(C(=O)c2ccccc2)C1=N 104240756 NXCRZZYJPGKHDU-FPQJFCLVSA-N 341.370 4.053 50 40 EIGB CC(C)(C)OC(=O)n1c(C(=O)CBr)cc2ccccc21 199829720 IIWSTRXLBPLHRY-UHFFFAOYSA-N 338.201 4.002 50 40 EIGB CC/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(C)s1 370493 KYWFYOHWOAADBI-LTGZKZEYSA-N 337.448 4.457 50 40 EIGB CCOC(=O)/C(C#N)=C\c1ccc2c(c1)Sc1ccccc1N2C 4468220 LVYWDXZGCWKHAT-UVTDQMKNSA-N 336.416 4.389 50 40 EIGB Cc1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)ccc1Cl 409179470 OSBFYBQIZHSULI-NHDPSOOVSA-N 338.794 4.271 50 40 EIGB N#C/C(=C/c1ccc(I)cc1)c1ccccc1 409360268 DLYNHDASDQCQII-UVTDQMKNSA-N 331.156 4.355 50 40 EIGB CC(C)/C(=N\NC(=O)c1cccc(Br)c1)c1ccccc1 5380198 BVNSNBGFERXBHN-KNTRCKAVSA-N 345.240 4.239 50 40 EIGB O=C(N/N=C1/CCCCc2ccccc21)c1cc2ccccc2cc1O 33430571 ZJKBOOUHPCTYCH-ATJXCDBQSA-N 344.414 4.406 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(SC)cc2)cc1 208031166 ZHMRKKUJJBOELR-QINSGFPZSA-N 338.432 4.353 50 40 EIGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)cc1 408581001 FWGRRHJRHLOBJY-RIYZIHGNSA-N 329.783 4.430 50 40 EIGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(Br)o2)CC1 993921 XCHVPYSFXMFKGF-UHFFFAOYSA-N 341.249 4.364 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)o1 15225500 JECBLUATTZAEHJ-VBKFSLOCSA-N 337.423 4.288 50 40 EIGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(C3CC3)cs2)cc1 17306472 BSLWSQJKWDDXRS-GXDHUFHOSA-N 339.420 4.174 50 40 EIGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1Cl 20195468 BCOUUXICDZHKIN-CIAFOILYSA-N 344.842 4.048 50 40 EIGB CSc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1 33045843 HEYKHMUHPBMBMY-CPNJWEJPSA-N 344.505 4.349 50 40 EIGB Cc1ccc2c(c1)N(c1cccc(C(C)C)c1)C=C(C#N)S2(=O)=O 48989038 GHBLZTBMDHCUNO-UHFFFAOYSA-N 338.432 4.409 50 40 EIGB COc1ccc(/C=C/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 102863875 QEGZMEXBQLEXNM-IUWFAXKNSA-N 347.374 4.086 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)o1 583048 OHUWQICVUUHRKO-CIAFOILYSA-N 336.391 4.292 50 40 EIGB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Cl 3269749 CCNVDQZHTPOGTD-SNVBAGLBSA-N 337.828 4.158 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc1OC 12885872 FTSUSHQUBMGKGF-MHWRWJLKSA-N 347.374 4.126 50 40 EIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(Cl)cc1 59155187 IMVFRKZBMWMSLC-FYJGNVAPSA-N 341.842 4.013 50 40 EIGB COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 125235721 MXFDZTKSIZSQPF-ATTDUZETSA-N 340.810 4.133 50 40 EIGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1-c1ccccc1 408776265 XUGITXGXOLDFKO-RGEXLXHISA-N 341.414 4.106 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)cc1 566269 XEVZBKGGNDPHLL-NTCAYCPXSA-N 345.402 4.041 50 40 EIGB CCOC(=O)[C@@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCCCC1 5473206 LKRPIRJZESOCHF-INIZCTEOSA-N 343.452 4.004 50 40 EIGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 5783924 ORCBGYWKCIYQFW-DYTRJAOYSA-N 326.827 4.427 50 40 EIGB CC(C)c1ccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)cc1 38654591 AOXZGQZROJYWFS-UHFFFAOYSA-N 342.395 4.239 50 40 EIGB CNC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C 223607074 GJOMBIVPUHOZKA-MBBOSUJBSA-N 339.483 4.149 50 40 EIGB CCO[C@H]1C[C@@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl 227002702 SLTXLYZUZLOALQ-HSNKUXOKSA-N 334.634 4.334 50 40 EIGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccco2)o1 408873103 MXTGQGNAKMUUHI-VXLYETTFSA-N 328.755 4.265 50 40 EIGB CCCOc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1 4519906 KRYDXKJHTODXRY-DEDYPNTBSA-N 342.464 4.026 50 40 EIGB CCc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C)C[C@H]32)cc1 4631648 OTQGRWKTNXXLPH-ZTQAJYAQSA-N 342.446 4.089 50 40 EIGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1 6209355 IAVWTQCWPALIPW-FMIVXFBMSA-N 348.736 4.487 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 7157382 WVRLJKPKWJECMB-SFQUDFHCSA-N 348.402 4.114 50 40 EIGB Cc1nc(/C=C/C(=O)NN=C(c2ccccc2)c2ccccc2)cs1 11372567 QZPCEZDHHBEIIZ-OUKQBFOZSA-N 347.443 4.034 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1C1CCCC1 13477776 ZAPFBZJORUCWLX-GZTJUZNOSA-N 337.423 4.036 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(OCC)c1 33743647 KYYMBDBDNGFLBB-BOPFTXTBSA-N 337.375 4.246 50 40 EIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OC 4535406 JSLHYURMWZQOFJ-KPKJPENVSA-N 339.782 4.298 50 40 EIGB CCc1cccc2c(/C=C(\C#N)C(=O)NCc3cccs3)c[nH]c12 6959377 QTYVPKKUTZZSHJ-NTEUORMPSA-N 335.432 4.015 50 40 EIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(O)c1 23382718 OFIDRHBJIHFPDY-HYARGMPZSA-N 348.402 4.098 50 40 EIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1 408567497 NYFNDNHIOUGBDL-YHYXMXQVSA-N 342.717 4.328 50 40 EIGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccccc1F 409002200 ZAGICLKLLGWHRB-UDWIEESQSA-N 340.379 4.334 50 40 EIGB N#CSc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 980626 AFLDBNASYMFZFT-UHFFFAOYSA-N 339.445 4.441 50 40 EIGB O=C(N/N=C/c1ccc(-c2ccccc2F)o1)[C@H]1C[C@@H]1c1ccccc1 5531424 FTQMTXLKYAXXCU-WKVCWDCFSA-N 348.377 4.340 50 40 EIGB CC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1 12492776 YEPHOJSTCNREPC-LSDHQDQOSA-N 332.403 4.018 50 40 EIGB CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 408600912 HBJMVWNMJVGAKK-DZUMZMOTSA-N 330.815 4.281 50 40 EIGB O=C(N/N=C\c1ccco1)c1cc(-c2ccccc2)nc2ccccc12 4737920 ZWCPEGBZUBYLFZ-HMAPJEAMSA-N 341.370 4.259 50 40 EIGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 6968783 RRQQBCPUDWQUIJ-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=S)cc1 33412876 SXOJHKQIBCGXPN-WJDWOHSUSA-N 344.443 4.041 50 40 EIGB CC(C)(C)OC(=O)N[C@@H](CCBr)c1cccc(F)c1 35633044 CYBHDUKESZKWLC-LBPRGKRZSA-N 332.213 4.177 50 40 EIGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1 409125961 NKAXFMGDTVFXMP-YBEGLDIGSA-N 342.801 4.380 50 40 EIGB Cc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 174559 VMVPPUDIJQVQHX-LPYMAVHISA-N 329.403 4.185 50 40 EIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc2ccccc2n1 3152121 ZVKAYHLGVRXWDM-KEBDBYFISA-N 344.201 4.306 50 40 EIGB CCOC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 71328733 NNBHCRQCAHDEDK-FYJGNVAPSA-N 335.407 4.078 50 40 EIGB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Cl)c1ccccc1 5785968 CJKQBALIIDQWPH-ZDUSSCGKSA-N 325.151 4.167 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 32561696 YHDWIXABXORDPD-MNTXUITRSA-N 347.462 4.317 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@H]1C[C@@H]2CC[C@@H]1C2 104066108 DRNISQFRIZSJKT-BAXAAJQZSA-N 348.874 4.344 50 40 EIGB CCCCc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1 1781952 UZVSFQZNGMRFER-UHFFFAOYSA-N 330.387 4.298 50 40 EIGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccccc1F 5129687 GVTRKGHSOBGCEU-FMIVXFBMSA-N 345.171 4.134 50 40 EIGB N=C(CSSCC(=N)NC1CCCCC1)NC1CCCCC1 5217789 GMYCFOWFXWQJLC-UHFFFAOYSA-N 342.578 4.167 50 40 EIGB Cc1ccsc1[C@@H]1C(C#N)=C(N)SC2=C1C(=O)CC(C)(C)C2 23379246 QPQOQJCHCVXYET-CYBMUJFWSA-N 330.478 4.224 50 40 EIGB C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@H]1C[C@@H]2CC[C@@H]1C2 108613560 DRNISQFRIZSJKT-QHVDSEAZSA-N 348.874 4.344 50 40 EIGB CCn1c(C)c(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 408591789 VDRPZYQPCHAPET-CIAFOILYSA-N 339.826 4.387 50 40 EIGB Cc1ccsc1/C=N/NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 58915822 RPCYMVFWHHQXBB-LBFZPMSMSA-N 338.885 4.341 50 40 EIGB C#CCn1c(C)c(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 408587914 HRZTZDNFXPKACY-LPYMAVHISA-N 349.821 4.000 50 40 EIGB C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1 4354938 MTCIIUCKROEZBG-IWEFOYFVSA-N 348.837 4.180 50 40 EIGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(C)o1 4646936 JYZHXRGHWBFHHZ-XSFVSMFZSA-N 348.830 4.249 50 40 EIGB O=C(NN(C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 6474631 ACWKGFVBOFXEGV-UHFFFAOYSA-N 331.375 4.070 50 40 EIGB N#C/C(=C\c1cccs1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151881 QTSMGXSKDXNEDI-DHZHZOJOSA-N 339.445 4.106 50 40 EIGB CCCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 101730738 IEXVKZORZLUBKX-LFYBBSHMSA-N 327.336 4.002 50 40 EIGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2)c(OCCC)c1 2166219 MSJXDKBFJNOVRH-RCCKNPSSSA-N 340.423 4.028 50 40 EIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccnc1 5381652 VKWRFWXQXBVZAK-VXLYETTFSA-N 329.812 4.104 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)o2)cc1C 408850848 SEGXGVPROXHMJU-VBKFSLOCSA-N 335.407 4.042 50 40 EIGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCC1 258446 AWLICBRSNYAEQP-RGEXLXHISA-N 346.430 4.231 50 40 EIGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C(=O)F)[C@H]3CC[C@]12C 4921415 HPOPFWALOPZTFN-ZTEVBBAKSA-N 346.442 4.200 50 40 EIGB CCOc1ccc(OCCCC(=O)NNc2cccc(Cl)c2)cc1 8039215 HUWUHHCJCNGTSW-UHFFFAOYSA-N 348.830 4.041 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc2ccccc2c1 59333770 SHQXJCOURHPJIW-NDENLUEZSA-N 343.430 4.243 50 40 EIGB CN(C)C(/C=C/Nc1ccc(Oc2ccccc2)cc1)=C(C#N)C#N 100913224 IPDYIYSHNJCFKS-OUKQBFOZSA-N 330.391 4.267 50 40 EIGB CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)[C@H]2c1cccnc1 5261179 JLSKOVJJLIADFQ-FQEVSTJZSA-N 349.434 4.128 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1)c1ccccc1 6585999 ORRNCMAPQFSPTN-RERGGYADSA-N 344.336 4.490 50 40 EIGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1 15229181 MZPGIRVUBZFEFA-DHDCSXOGSA-N 331.293 4.356 50 40 EIGB O=C(N/N=C/c1ccccc1F)c1cc(C2CC2)nc2ccccc12 184290 XHDTVLXBYJLJDJ-WSDLNYQXSA-N 333.366 4.015 50 40 EIGB CC(C)(CCl)C(=O)NNc1c(Cl)cc(Cl)cc1Cl 3104465 ZLLOKTWLAJFLMH-UHFFFAOYSA-N 330.042 4.355 50 40 EIGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)NCc1ccccc1 5068869 HECHAYKECKNECO-NTEUORMPSA-N 331.202 4.217 50 40 EIGB Cc1ccc(CC(=O)N/N=C/c2oc3cc(C)ccc3c2C)c(C)c1 20195408 ULTCAKHTSSFKGU-WSDLNYQXSA-N 334.419 4.359 50 40 EIGB N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)NCc1ccccc1 408760820 GGNQGLOFGSOFQU-DEDYPNTBSA-N 338.410 4.162 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1 4723674 UXHBEEXEZZCIGR-UVTDQMKNSA-N 326.783 4.284 50 40 EIGB O=C(N/N=C/c1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2 4738391 SESXSTXAFJFRGA-UFFVCSGVSA-N 334.822 4.146 50 40 EIGB N#C/C(=C\c1ccc(N2CCCC2)c(F)c1)c1nc2ccccc2[nH]1 13546817 LEJZQWVQCMKETC-RVDMUPIBSA-N 332.382 4.366 50 40 EIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 108207200 SMUINCWKPCJSBF-ZROIWOOFSA-N 341.208 4.303 50 40 EIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CNc2ccc(C)cc2C)C1 358237 QVVXTDDLTKDPGI-XENKUQMPSA-N 325.456 4.120 50 40 EIGB Cc1nc2ccc(Cl)cn2c1C(=O)NN=C1CCCCCCC1 1013474 DLIRSUSFAFLKEA-UHFFFAOYSA-N 332.835 4.126 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1 3945091 IYLKGMRXPCPEJK-SAPNQHFASA-N 330.435 4.484 50 40 EIGB CN1/C(=C(\C#N)C(=O)/C=C/c2ccccc2Cl)Nc2ccccc21 4059200 JXCOBOWLKNETNO-XJZNFUNPSA-N 335.794 4.219 50 40 EIGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1 549952 IQDKSRFWSCPEJE-LFIBNONCSA-N 344.370 4.100 50 40 EIGB O=C(NCCCl)Nc1cc(-c2ccccc2)nc2ccccc12 4868192 ZMBBIWAWQMNFQH-UHFFFAOYSA-N 325.799 4.262 50 40 EIGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccc1 7158679 GEBRDNNTFCYQED-XNTDXEJSSA-N 345.229 4.259 50 40 EIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12 20248835 UBYSOCGPYDWIKV-HFITWMCCSA-N 334.444 4.471 50 40 EIGB CC(C)NC(=O)/C(C#N)=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 213933175 ZAMGUDOJVVNKDE-DHDCSXOGSA-N 342.483 4.419 50 40 EIGB Cc1cc(C)c(/C=N/NC(=O)c2ccc(Br)cc2)c(C)c1 96117 WQIFQEKUEYBFBT-VXLYETTFSA-N 345.240 4.138 50 40 EIGB Cc1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1[N+](=O)[O-] 5618304 DLRSFPKEGZSUHY-UHFFFAOYSA-N 331.416 4.225 50 40 EIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2o1 5782249 VZBRRSSPXOLQTH-LPYMAVHISA-N 344.370 4.446 50 40 EIGB C=CCn1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21 15220107 NXOHPZIVXZZXPN-SSZFMOIBSA-N 333.435 4.183 50 40 EIGB O=C(CCl)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 3885267 SYSPYOPJPIGDEF-UCZMFPBXSA-N 344.798 4.234 50 40 EIGB N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2o1 5379950 VZCYDYKPWBIGIZ-MDZDMXLPSA-N 340.726 4.366 50 40 EIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC 6959662 VONYRJVSBVSNLJ-XNTDXEJSSA-N 340.810 4.457 50 40 EIGB C=CCSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 9088699 VJUWLRSYWKJKEY-SNVBAGLBSA-N 339.247 4.251 50 40 EIGB CSc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409245328 QYRKVDBWGYOWOR-JXAWBTAJSA-N 336.460 4.064 50 40 EIGB CCCCCOc1ccccc1/C=N/NC(=O)c1cccc(F)c1 3132081 RSJMWPKYORMMJA-KGENOOAVSA-N 328.387 4.159 50 40 EIGB COc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)ccc3OC)nc2c1 4755570 NDMIUUNSQWRCCD-GHXNOFRVSA-N 339.782 4.298 50 40 EIGB CC(/C=N\NC(=O)COc1ccc(C(C)C)cc1)=C\c1ccccc1 32109225 LOLPTJMVWHCBPD-XQJAMKRVSA-N 336.435 4.394 50 40 EIGB CC/C(=N/NC(=O)CNc1cccc2ccccc12)c1ccccc1 33732396 JUWUDMCVCAFDEN-NMWGTECJSA-N 331.419 4.182 50 40 EIGB Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)CCl)cc1 2641193 WTUJTYDYKXFWIR-UHFFFAOYSA-N 325.799 4.025 50 40 EIGB COC(=O)c1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 5155501 LZBOORMEBLIFOU-LFIBNONCSA-N 344.370 4.053 50 40 EIGB Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC2CCCCCC2)cc1 5728612 FYRBLDHOZMRBFM-ATVHPVEESA-N 348.450 4.131 50 40 EIGB O=C(Cl)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 72242847 JUGDUHKPCFXZFS-UHFFFAOYSA-N 328.721 4.149 50 40 EIGB Cc1ccc(/C=C/C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 409059273 MBAXRCSVMAVYSJ-IRMYMQKMSA-N 330.387 4.017 50 40 EIGB CCO[Si](CCCCCCO[C@H]1CCCCO1)(OCC)OCC 575182258 OXMQVUBHMIXKII-QGZVFWFLSA-N 348.556 4.138 50 40 EIGB Cc1ccc2nc(SCC(=O)N/N=C/c3ccccc3)cc(C)c2c1 352348 VVVZEOJFKMWFBL-CIAFOILYSA-N 349.459 4.094 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] 4189753 SDZQNUYQWCPOGY-XYOKQWHBSA-N 337.360 4.277 50 40 EIGB C/C(=N\NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C)c1ccc(Br)cc1 107876785 OXJOAEKUJZHJBA-SDZDIROXSA-N 349.272 4.116 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1C(C)C 409235911 QLKHHXPMBZONQV-STZFKDTASA-N 349.478 4.342 50 40 EIGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)cc1 193580 HVKJIKMLNGTGOS-CPNJWEJPSA-N 342.398 4.478 50 40 EIGB C/C(=N\NC(=O)CCc1ccccc1)c1ccc2ccccc2c1O 15637039 ZKEZFFZRLAFKKS-PXLXIMEGSA-N 332.403 4.018 50 40 EIGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(N)=S 33743967 NQSSSDTZJNWWOX-ZROIWOOFSA-N 335.407 4.022 50 40 EIGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)n1nc(C)cc1C 408976568 GGEOBRSHXBBBRA-SFQUDFHCSA-N 345.402 4.299 50 40 EIGB CC1=CC[C@H](/C=N/NC(=O)COc2ccc(Cl)cc2Cl)CC1 5296432 UBZWZAOLXCPSIH-BFNDQCEFSA-N 341.238 4.221 50 40 EIGB N#CC(C#N)=Cc1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 5898741 AYCGYXSBVHIQBI-UHFFFAOYSA-N 348.362 4.276 50 40 EIGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 101683290 KMOLKUNBVGJJIE-QJISPJEISA-N 345.439 4.370 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)o1 408816746 UOLZGXZUBHAKQF-VBKFSLOCSA-N 337.423 4.288 50 40 EIGB CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1 484754 RTXRTOCOSSPAMB-HYARGMPZSA-N 348.402 4.011 50 40 EIGB Cc1cc(C)c(N/C=C(/C#N)c2nc3ccccc3o2)c([N+](=O)[O-])c1 5336716 CYAMRQIZUFCXHN-RAXLEYEMSA-N 334.335 4.329 50 40 EIGB CC(C)(C)c1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 20243944 UYWZNWKNWUUOCH-DEDYPNTBSA-N 326.465 4.227 50 40 EIGB Cc1ccc(-c2noc(/C(C#N)=C/c3cc(C)n(CC#N)c3C)n2)cc1 96305651 ZAUPSASLLKXVMY-WOJGMQOQSA-N 343.390 4.051 50 40 EIGB Clc1ccc(C[C@@H](Br)CCBr)cc1 242592255 OOZQYMNRBPHTLT-VIFPVBQESA-N 326.459 4.431 50 40 EIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1O 344864 GVERSRCAFVYINY-RGVLZGJSSA-N 340.766 4.070 50 40 EIGB N#C/C(=C\c1cccc(F)c1)C(=O)Nc1cccc(Br)c1 448680 RHJLNQHONCCUSP-KPKJPENVSA-N 345.171 4.134 50 40 EIGB N#C/C(=C\c1cc(Cl)cc2c1OCOC2)c1nc2ccccc2o1 5120226 SPGFWBMCVLPXQB-LFYBBSHMSA-N 338.750 4.412 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F)c1ccccc1 6175499 GFUOIVDPMMMTHR-RERGGYADSA-N 344.336 4.490 50 40 EIGB Cc1ccc([C@@](O)(CBr)CC(Cl)(Cl)Cl)cc1 6487854 YCELEFDLRQGGND-JTQLQIEISA-N 346.479 4.338 50 40 EIGB Cc1ccccc1-n1cccc1/C=N/NC(=O)c1ccc(Cl)cc1 6969396 OOYGSVAMCUJFJE-FYJGNVAPSA-N 337.810 4.203 50 40 EIGB C/C(=N\NC(=O)c1ccc(C)c(C)c1)c1ccc(Br)cc1 369570 POHIKOQTJAOHLG-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)cc1 4722928 PBVJYIRYOIMCOD-FLIBITNWSA-N 347.237 4.365 50 40 EIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 32791050 DPAAGBWGMXXQSO-XNTDXEJSSA-N 339.826 4.260 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1OC 44028519 YXUDICPBZYFGGI-ZROIWOOFSA-N 327.405 4.254 50 40 EIGB Cc1cccc(C)c1N/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 57414122 DTOHYDJDHWKMSS-KAMYIIQDSA-N 325.799 4.415 50 40 EIGB C/C(=N\NC(=O)CSc1nc2ccccc2s1)C1CCCCC1 59417026 MGSXYZZEAJEMCR-XDHOZWIPSA-N 347.509 4.461 50 40 EIGB N#C/C(=C/c1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 107641465 PAZYAOKCAGBSFG-YHYXMXQVSA-N 335.182 4.483 50 40 EIGB FC(F)(F)COc1ccc(CBr)cc1Br 62703496 VOQPBJWDPQLIMQ-UHFFFAOYSA-N 347.956 4.285 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1 408816253 YDLYWLHTOXGGHR-GHRIWEEISA-N 348.402 4.114 50 40 EIGB CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2[N+](=O)[O-])CC1 371151 KTBOCZWCCZCPJS-UHFFFAOYSA-N 331.416 4.307 50 40 EIGB CC(C)[C@H](Br)C(=O)Nc1cc(Cl)ccc1Cl 19475377 AOFVNUQREPGTSD-JTQLQIEISA-N 325.033 4.351 50 40 EIGB CCc1cc(Br)cc2sc(NC(=O)[C@H](C)Cl)nc12 20132006 VBTGYYGGPCCBPP-LURJTMIESA-N 347.665 4.187 50 40 EIGB CC(C)N1CCC(=NNC(=O)c2sc3ccccc3c2Cl)CC1 55074190 AUTLSQJXDCJBBY-UHFFFAOYSA-N 349.887 4.145 50 40 EIGB CCCCc1ccc(C(=O)N/N=C\c2ccc3c(c2)C[C@H](C)O3)cc1 408710866 QZDQXKUCYXLTAW-HSMAQGNYSA-N 336.435 4.117 50 40 EIGB ClCCN(CCCl)c1ccc(/C=N\N=C\c2ccco2)cc1 4825057 UDOHJUAPUOACKQ-ZEDXCMECSA-N 338.238 4.017 50 40 EIGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccccc1Cl)CCC2 5444364 MKMMUHPOYLDSEA-DYTRJAOYSA-N 326.827 4.427 50 40 EIGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1ccc(Cl)cc1 6341982 LBNZBSWOFNJSFT-FMIVXFBMSA-N 348.736 4.487 50 40 EIGB CC(C)c1nn(C)cc1/C=C(\C#N)c1nc2ccccc2n1C(F)F 96307337 IENOMQIKHYOARC-XYOKQWHBSA-N 341.365 4.352 50 40 EIGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1 408785204 ZRXSDIPCGLWMPJ-ODLFYWEKSA-N 335.451 4.143 50 40 EIGB O=C(N/N=C/c1ccccc1Cl)c1ccc(Cl)cc1Cl 260396 RZDJDNPMNYZXBF-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2sccc2C)c1 510694 MNMWQWSRZLNCBL-VXLYETTFSA-N 330.453 4.017 50 40 EIGB O=C(Oc1cccc(Cl)c1)c1cc2cc(CCl)ccc2oc1=O 1660792 RYPFJZFYKSGHCI-UHFFFAOYSA-N 349.169 4.404 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1 28217363 XLMXRJGHVNZUGE-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB C[C@@H]1CC=C2[C@@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 36046362 LTBLKVQJWVATAB-DFHBCGBQSA-N 348.837 4.180 50 40 EIGB O=C(Cl)c1ccc(OCc2ccccc2)c(Br)c1 217705010 MDEGGRUCKQPXSD-UHFFFAOYSA-N 325.589 4.407 50 40 EIGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1 408945288 NVDXFPGDHPZFKK-SFDYMUJDSA-N 336.391 4.374 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 16411789 BUIKDNLUKJIKQA-QGOAFFKASA-N 332.403 4.414 50 40 EIGB COc1ccc([C@@H](OC)[C@@H](Br)C(=O)c2ccccc2)cc1 28294655 UBSDYWGCTHYLBH-DOTOQJQBSA-N 349.224 4.029 50 40 EIGB COc1ccc(-c2cn3c4ccccc4nc3n2CCCl)cc1 302058 IBQMXITUPDAHFY-UHFFFAOYSA-N 325.799 4.203 50 40 EIGB CC(/C=N/NC(=O)c1c(-c2ccccc2)noc1C)=C\c1ccccc1 993653 NAPVSUHSHITVGH-IUCDLXNESA-N 345.402 4.469 50 40 EIGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cc(F)ccc1F 35324257 QRCXUEPQQGTHIV-GOSISDBHSA-N 334.325 4.336 50 40 EIGB CC1=Nc2ccccc2N=C(NC(=O)[C@@H](C)Cl)[C@@H]1c1ccccc1 6248311 NQXIUQUINBVQDZ-PXAZEXFGSA-N 339.826 4.350 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 15219244 JDSQLVUQYFHBAN-JXAWBTAJSA-N 333.435 4.387 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2cn(CC)c3ccccc23)cc1 20197539 FFLKSKOGADMQLA-HYARGMPZSA-N 349.434 4.214 50 40 EIGB Cc1ccc(SCC(=O)N[C@@H](Cl)C(Cl)(Cl)Cl)cc1 32634086 FWUJRTUXEQIJEI-SNVBAGLBSA-N 347.094 4.138 50 40 EIGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc2ccccc2c1 225666 XKPCQNMHCBFNSS-CIAFOILYSA-N 338.794 4.022 50 40 EIGB CCCCOc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 2325692 IEQRPPRFFPDJGA-HYARGMPZSA-N 335.407 4.111 50 40 EIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1nc2ccccc2[nH]1 4535337 LGMJABDWBLJBBT-OWBHPGMISA-N 326.359 4.123 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3F)c2C)cc1 8106405 OLZJFIYSPUWEGY-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)c1 408788939 NGCIVIJWWDLMNS-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409120559 UGSBIACXHPQPCW-NPRIEWAGSA-N 342.464 4.025 50 40 EIGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)c1cccs1 8133182 SOPPIRIABQWNDR-UXBLZVDNSA-N 334.194 4.006 50 40 EIGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 8783479 NUMXWUFGAUZEAU-OAHLLOKOSA-N 336.439 4.049 50 40 EIGB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSC#N)c2C#N)C1 226233900 AGSZHPSRAMRVMT-NSHDSACASA-N 347.509 4.314 50 40 EIGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)c2ccc(F)cc2)cc1 409186863 IVRDDECPTMGZFQ-BOPFTXTBSA-N 339.366 4.220 50 40 EIGB C/C(Cc1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 249378 ZCVLDYBNRIBFLQ-HFITWMCCSA-N 344.842 4.151 50 40 EIGB Br[C@@H](c1ccccc1)[C@H](Br)[n+]1ccccc1 1712254 IJBLPQWDGWUFTG-QWHCGFSZSA-N 342.054 4.004 50 40 EIGB CC(C)OC(=O)c1c(NC(=O)CCCl)sc2c1CC[C@H](C)C2 2085656 ULEKZGIWWKCJKL-JTQLQIEISA-N 343.876 4.006 50 40 EIGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccccc2F)cc1 28632357 KHSLRAOAJKVFBL-GNASCUAASA-N 338.426 4.377 50 40 EIGB Cc1cc(/C=C(/C#N)C(N)=S)c(C)n1-c1cccc(C(F)(F)F)c1 408544159 SLZPXOZRKSHVCK-QPEQYQDCSA-N 349.381 4.306 50 40 EIGB ClCCN(CCCl)c1ccc(/C=N/c2nccs2)cc1 1631072 DGLZYJICHBWVBB-WOJGMQOQSA-N 328.268 4.178 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 3261606 RZVMFSZFRNDOCB-GHRIWEEISA-N 349.434 4.087 50 40 EIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1cccc([N+](=O)[O-])c1 4520067 LYRSOEPXLQCPMJ-XSFVSMFZSA-N 339.395 4.068 50 40 EIGB CCn1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21 60512525 KMFAHBNLCBFKBI-CIAFOILYSA-N 339.826 4.007 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)cc1)c1nc2ccc(F)cc2[nH]1 408570472 VOVYOEOMEPXASZ-PTNGSMBKSA-N 332.382 4.366 50 40 EIGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OC 408580797 RTDHMXLOZPMIRD-MHWRWJLKSA-N 339.391 4.175 50 40 EIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2C)cc1 408785884 JGERCINOSWYRDN-JXAWBTAJSA-N 333.435 4.387 50 40 EIGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 5020068 GOMPMPCCFSFGII-UHFFFAOYSA-N 346.405 4.397 50 40 EIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 6828090 CYBSWEABGWVLAE-HUCUOGIVSA-N 334.419 4.258 50 40 EIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccs1 135797100 JETWELCEFORYKX-MOSHPQCFSA-N 338.432 4.454 50 40 EIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 408848780 UCYWFMRGCXDUQD-UKTHLTGXSA-N 344.773 4.423 50 40 EIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1csc(C(C)C)c1 2749343 AFFNUYKRDJPIHM-DJKKODMXSA-N 325.437 4.425 50 40 EIGB CCCOc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1 2769487 FJCVGPIKRVXIMI-CXDFQFJYSA-N 334.419 4.260 50 40 EIGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4041370 AQHMOMHTNUPKRQ-LFIBNONCSA-N 335.363 4.264 50 40 EIGB C=CCN(CC=C)P(=O)(N(CC=C)CC=C)N(CC=C)CC=C 104230545 QUPFZBHBJFUGBC-UHFFFAOYSA-N 335.432 4.117 50 40 EIGB C=CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21 408725274 GQRXNOVTDQRZAX-SSZFMOIBSA-N 327.387 4.373 50 40 EIGB C/C(CCC(C)C)=N\NC(=O)CSc1nc2ccccc2s1 4889204 YGGAGXLWDXSZPK-LDADJPATSA-N 335.498 4.317 50 40 EIGB N#C/C(=C\c1cccc(O)c1)c1nc(O)c2c3c(sc2n1)CCCC3 7001098 VGSHSJYOILLWRK-XYOKQWHBSA-N 349.415 4.045 50 40 EIGB Cc1ccsc1/C=C(\C#N)c1nc(O)c2ccc(Cl)cc2n1 36391512 DRVZNIIHQRSELY-UXBLZVDNSA-N 327.796 4.423 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)c1C 58927939 GRNGBTJMFWFGEP-DORSJAEJSA-N 326.465 4.243 50 40 EIGB CN(C)C(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)o1 59334968 CHYJWIFCEFVBTL-LUAWRHEFSA-N 332.812 4.079 50 40 EIGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cccc(F)c1 59505806 WWRCZFXZANYKQS-UDWIEESQSA-N 340.379 4.334 50 40 EIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NC2CCCC2)cc1C 409193241 HVZSEGXHOGMTPX-LGMDPLHJSA-N 333.435 4.060 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1Cl)[C@H]1C[C@H]1c1ccccc1 4473607 TZSWVFPXTOCTJC-GTNFAZHKSA-N 333.218 4.247 50 40 EIGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc1 19805992 GTSKWYRRCQZKQK-HXUWFJFHSA-N 335.451 4.024 50 40 EIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OC)cc1 206278480 SBWDOJCNGMDLRV-VKAVYKQESA-N 349.434 4.087 50 40 EIGB C=C(C)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 278368 GVJCHQCKPDELBH-MRXNPFEDSA-N 326.465 4.458 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1Br 15224852 ADTZKLYJZUMWRA-WRIKSJFWSA-N 349.272 4.034 50 40 EIGB CCOc1cccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 31783805 AORSHJRRRHLOQC-BOPFTXTBSA-N 347.823 4.077 50 40 EIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(O)cc3)sc2c1 106578606 ZHLBKDJHBUZKPH-OCKHKDLRSA-N 344.823 4.333 50 40 EIGB N#CC1=C(SCc2ccc(F)cc2)NC(=O)C[C@H]1c1cccs1 409127553 NXJINPGGYROJQD-CYBMUJFWSA-N 344.436 4.159 50 40 EIGB C[C@@H]1CC[C@](C)(C(=O)C(Br)Br)C1(C)C 4266823 CJHCACLPNGEXBJ-RDDDGLTNSA-N 326.072 4.134 50 40 EIGB biogenic CC(/C=N/NC(=O)CC12CC3CC(CC(C3)C1)C2)=C\c1ccco1 4651673 UGZMMYGVUSGYBX-QTCCIMDWSA-N 326.440 4.391 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1Br 100262165 ADTZKLYJZUMWRA-HVSLRRMKSA-N 349.272 4.034 50 40 EIGB CCCCCCCC(=O)N/N=C/c1cc(Cl)c2cccnc2c1O 103745571 PDSNFFPATKPPMC-CIAFOILYSA-N 347.846 4.404 50 40 EIGB C=CCOC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 2670201 UIZYCDJEGJIULT-QGOAFFKASA-N 342.398 4.326 50 40 EIGB COc1cc(C)c(/C=N/NC(=O)c2ccc(F)cc2)cc1C(C)C 6188653 DLYHBTAHLYZRSX-SRZZPIQSSA-N 328.387 4.030 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(C)c1O 6202611 ZLBKKGAEZJUSOI-ZROIWOOFSA-N 326.783 4.208 50 40 EIGB FC(F)(F)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104195627 RZGKUNZEOKIFHU-UHFFFAOYSA-N 346.332 4.275 50 40 EIGB COc1ccc(C(=O)Cl)cc1OCc1ccc(F)cc1Cl 218720246 ACKSSRLLURTEMY-UHFFFAOYSA-N 329.154 4.446 50 40 EIGB N#CCOc1ccccc1/C=C(/C#N)c1ccc(Br)cc1 408534089 UTWIDISBJORHQB-PTNGSMBKSA-N 339.192 4.416 50 40 EIGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccco2)c1C 408847816 SILFLYVTRCNLAQ-XKZIYDEJSA-N 349.434 4.322 50 40 EIGB CCSC1=C(C#N)[C@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)N1 387005 RLXFMEPBWYKMPE-ZWKOTPCHSA-N 334.444 4.172 50 40 EIGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 504259 PTOFUVWELNWJDC-HMMYKYKNSA-N 346.430 4.185 50 40 EIGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1O 3132183 BXZDRKFRQXHTPG-OEAKJJBVSA-N 340.382 4.463 50 40 EIGB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NN=C1CCCC[C@H]1C 5728129 PMKUZKGORSUFBG-MLGOLLRUSA-N 344.484 4.116 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)c(OC)c1 33409011 XFXIFUVULJWYKJ-LGMDPLHJSA-N 349.434 4.087 50 40 EIGB CC(C)(C)C(CCBr)(OC(=O)NC(=O)O)C(C)(C)C 504718947 HLZZRQTVSBMISG-UHFFFAOYSA-N 338.242 4.007 50 40 EIGB Cc1cc2nc(CBr)c(CBr)nc2cc1C 1727738 BAZJREDPRJMNBP-UHFFFAOYSA-N 344.050 4.036 50 40 EIGB CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 5381408 MJKGCGDYXKROCK-OOWUWCJESA-N 342.464 4.105 50 40 EIGB CCCCN(CCCC)CCOCCO[C@@H]1CCCC[C@@H]1Cl 5419534 JESCUVGPHHWHTP-ZWKOTPCHSA-N 333.944 4.472 50 40 EIGB CCC[C@H](Br)C(=O)Nc1nc2ccc(CC)cc2s1 20132672 RVXCHXUQTKKPHO-JTQLQIEISA-N 341.274 4.361 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 241209 PTQPUJIHNNVUCA-GHRIWEEISA-N 328.371 4.394 50 40 EIGB O=C(COc1cccc(Cl)c1)N/N=C/c1cccc2ccccc12 439159 ROUPLPZRKUQIMG-CIAFOILYSA-N 338.794 4.022 50 40 EIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1Cl 546635 CZVZFASZVWQIEG-SRZZPIQSSA-N 339.782 4.067 50 40 EIGB CCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 2637297 ACQQDHKEZOUWSX-RCCKNPSSSA-N 340.423 4.115 50 40 EIGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 3098603 HSFJSDYIVNHJQH-LEWJYISDSA-N 340.426 4.359 50 40 EIGB N#C/C(=C1/OC(=O)c2cccc([N+](=O)[O-])c21)c1cccc2ccccc12 35183263 CEEVHTKMSJNVDB-MNDPQUGUSA-N 342.310 4.310 50 40 EIGB C[C@H]1CC=C2[C@@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 36046363 LTBLKVQJWVATAB-WRSAYESZSA-N 348.837 4.180 50 40 EIGB CC(C)(C)OC(=O)n1cnc2c(CBr)cc(Cl)cc21 80443847 XOWAMDBBRYBGFY-UHFFFAOYSA-N 345.624 4.368 50 40 EIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1O 106682576 DYYOFXIQPHZVEV-UFWORHAWSA-N 337.206 4.080 50 40 EIGB CC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 4510847 LKPCDOMTDLHXIO-DJKKODMXSA-N 337.206 4.042 50 40 EIGB C[C@H](I)CC(F)(C(F)(F)F)C(F)(F)F 71790007 DOOITBZJYVIFEO-VKHMYHEASA-N 338.004 4.033 50 40 EIGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C(/C)c1ccc(F)cc1 5953870 QYIPRQACQDZACR-SLCIXIPPSA-N 347.821 4.210 50 40 EIGB C=CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 6295910 ZITFUZRNJGYTIT-CIAFOILYSA-N 337.810 4.245 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)cc1 59433630 YFAOMVUEMUZDEA-NTEUORMPSA-N 326.783 4.154 50 40 EIGB COc1ccc(N/C=C(\C#N)c2ccc(OCCCF)cc2)cc1 100364422 UFJCBCJXXDKKDB-JQIJEIRASA-N 326.371 4.410 50 40 EIGB CC1=C/C(=N/NC(=O)[C@@H](C)Nc2c(C)cccc2C)CC(C)(C)C1 342950 LZZGQZWYUIVYME-ZESIPNTPSA-N 327.472 4.342 50 40 EIGB C/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1ccco1 4651835 ZRLFBILQZFATFI-DEDYPNTBSA-N 328.412 4.386 50 40 EIGB CCc1ccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 57414106 IQXHQODMVTXGCE-OWBHPGMISA-N 325.799 4.360 50 40 EIGB C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1 59383034 QSWZPMIHTFOYTP-CPNJWEJPSA-N 332.856 4.281 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c1 408941344 WIHZVEXYIWVUNV-AQTBWJFISA-N 332.403 4.359 50 40 EIGB O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1 409192413 XBZRCQDDLTXDCA-CNHKJKLMSA-N 343.597 4.116 50 40 EIGB CC(C)Oc1ccccc1/C=N/NC(=O)c1cc2c(s1)CCCC2 2658687 KQYDCEVPQWZNNW-UDWIEESQSA-N 342.464 4.178 50 40 EIGB O=C(Nc1cccc2ccccc12)N1CCC[C@H](Br)C1 4982903 FDZWITNVDGBQOL-ZDUSSCGKSA-N 333.229 4.231 50 40 EIGB C/C(Cc1ccccc1)=N\NC(=O)[C@H](C)SCc1ccccc1 20248866 JZQLTEYLUWCSQC-WLVMFVESSA-N 326.465 4.043 50 40 EIGB CCN(CC)c1ccc(C(=O)N/N=C2/C[C@H](C)CC(C)(C)C2)cc1 33541256 CTOUVWSEDRSQKD-MUNYZGMTSA-N 329.488 4.465 50 40 EIGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1cc#cc2ccccc12 409060847 WNTSDLUYGWGODK-IRMYMQKMSA-N 332.790 4.257 50 40 EIGB C/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc2ccccc2c1 223392 KANJFQPPYKJXGA-XQNSMLJCSA-N 331.419 4.101 50 40 EIGB O=C(Nc1cc(Cl)ccc1Cl)[C@@H](Cl)C(=O)c1ccccc1 3267333 YGELDXVZXKKZOT-ZDUSSCGKSA-N 342.609 4.422 50 40 EIGB Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1-c1ccnn1C(C)C 8054358 YQRFTNKBTRZYPB-LDADJPATSA-N 331.423 4.331 50 40 EIGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccccc1-n1cccc1 103187958 KEPQIIJPMCFSGS-OYSADAIUSA-N 333.435 4.185 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(C)=O)cc2)cc1 1903551 GAQFRTNPGPIPAH-QGOAFFKASA-N 349.386 4.191 50 40 EIGB N#C/C(=C\c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 1977554 HBUCEYVWGLDNCE-UKTHLTGXSA-N 329.153 4.421 50 40 EIGB CCOC(=O)c1ccccc1[C@@H](Cl)[C@@H]1OC(=O)c2ccccc21 3845514 YNIRLIIKXDLPKT-HZPDHXFCSA-N 330.767 4.055 50 40 EIGB biogenic CC/C(Cc1ccccc1)=N\NC(=O)CNc1ccc2ccccc2c1 5727591 MQVDVRXMYRJGBB-HIXSDJFHSA-N 345.446 4.377 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCCC)c2)cc1 20197870 PPRYFMSMOJOTQO-RCCKNPSSSA-N 340.423 4.028 50 40 EIGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1)[C@H](C)CC(C)(C)N2C 208209668 JQVKAABGCWYSHP-BRABVMKYSA-N 349.478 4.481 50 40 EIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 409191491 XIFBHTKSCKWIKP-DZUMZMOTSA-N 330.815 4.281 50 40 EIGB CCOc1ccccc1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1 409268352 SJOALRHDXKMJFC-PXLXIMEGSA-N 338.451 4.076 50 40 EIGB CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2669616 VSQWBEXOWSBPHZ-SDNWHVSQSA-N 340.335 4.105 50 40 EIGB CN1/C(=C(\C#N)C(=O)c2cc(Cl)ccc2Cl)Nc2ccccc21 11617441 GSFRVMVRULHZNL-SFQUDFHCSA-N 344.201 4.473 50 40 EIGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccccn1 33294572 LOVBAVDGSNDMLO-UCQKPKSFSA-N 325.371 4.152 50 40 EIGB COc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] 33690725 SDZQNUYQWCPOGY-WQLSENKSSA-N 337.360 4.277 50 40 EIGB O=C(CCCCCCl)c1ccc(I)cc1 43210706 NGDIDVDOBADMBR-UHFFFAOYSA-N 336.600 4.273 50 40 EIGB C=C[C@H]([C@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 98175050 HMCMBOCVODEDFP-FGZHOGPDSA-N 348.382 4.289 50 40 EIGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1 102989969 JZIQIEWHCLELHI-JXAWBTAJSA-N 341.455 4.029 50 40 EIGB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=O)[C@H](C)Cl)cc2Cl)C1 230210054 SZCPRSXBUGSUHN-TUAOUCFPSA-N 329.271 4.388 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)cc1 408961988 WPIXEWGJNMCILO-CYVLTUHYSA-N 345.446 4.395 50 40 EIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)n2c1 409001261 ORKFNQTZWVJPNL-WSDLNYQXSA-N 348.450 4.013 50 40 EIGB CO[Si](CCCCCCCCCCC1OCCCO1)(OC)OC 627274955 ZUTJINRNQYVAJW-UHFFFAOYSA-N 348.556 4.138 50 40 EIGB O=C/C(=C\Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2o1 5379952 OWDAEWPCQGMUBF-CSKARUKUSA-N 343.726 4.041 50 40 EIGB N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 6975007 WPTFSSJIEUABBQ-XGICHPGQSA-N 328.711 4.041 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccccc1 59250169 GSTDTZFVSHUYHD-VKAVYKQESA-N 327.387 4.331 50 40 EIGB C/C(=N\NC(=O)CNc1ccc2ccccc2c1)c1ccc(C)cc1 31119 MLDGMHJTFIYTKH-XQNSMLJCSA-N 331.419 4.101 50 40 EIGB N#C/C(=C/c1csnn1)c1nc(-c2ccc(Cl)cc2)cs1 48345433 NZBIPTOVORKOEY-YHYXMXQVSA-N 330.825 4.379 50 40 EIGB O=C(CCl)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 411283 DUPPAIAMUYJWIN-UHFFFAOYSA-N 333.840 4.035 50 40 EIGB O=C(N/N=C/c1cc2ccccc2cc1O)c1cccc2ccccc12 4113759 GBDMHVVCCRGGAC-OEAKJJBVSA-N 340.382 4.463 50 40 EIGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1O 4551474 ILROLSQQPLXYMM-XQNSMLJCSA-N 344.414 4.065 50 40 EIGB C/C(=N/NC(=O)CNc1ccccc1C)c1ccc(C(C)(C)C)cc1 12463124 QPNLWSDKVACDKN-KQWNVCNZSA-N 337.467 4.245 50 40 EIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 211440330 ARBLESDVJZPUKU-ATVHPVEESA-N 348.402 4.114 50 40 EIGB O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 1402117 FARPKEMFEHEADT-UHFFFAOYSA-N 347.802 4.360 50 40 EIGB O=P(OCCCl)(OCCCl)[C@H](O)c1ccccc1Cl 1676184 CVFOSPAQFDOXEW-NSHDSACASA-N 347.562 4.035 50 40 EIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 408800169 NJLCYVXRXDDTQT-LFIBNONCSA-N 338.382 4.406 50 40 EIGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 409203160 WOFOYZUYCLSMJI-IZZDOVSWSA-N 337.231 4.278 50 40 EIGB CSc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 112670 VNEFYVBWGJGGSE-GIJQJNRQSA-N 339.247 4.479 50 40 EIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Br)o1 4806056 AGCKFWVOABAYBZ-LUAWRHEFSA-N 346.180 4.179 50 40 EIGB N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1ccncc1 63111082 NVNZCXKWVLHDQB-KRWDZBQOSA-N 333.778 4.106 50 40 EIGB N#CC[P@](=O)(c1ccccc1)c1ccccc1OCc1ccccc1 97959778 PTORJIAWUCMRTH-VWLOTQADSA-N 347.354 4.103 50 40 EIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1O 209602281 GVWNDIZGIMTQHD-HMAPJEAMSA-N 348.402 4.098 50 40 EIGB CC(C)(/C=N/NC(=O)CSCc1ccccc1Cl)CCC#N 2056140 ZHVYRZORCHSHKT-XDHOZWIPSA-N 337.876 4.005 50 40 EIGB CCc1ccc(-c2cc(NC(=O)CCl)n(-c3ccccc3)n2)cc1 3399152 DFVHSWOPUFDOET-UHFFFAOYSA-N 339.826 4.279 50 40 EIGB O=C1c2cc3c(nc2N[C@@H](Cl)N1c1ccc(Cl)cc1)CCCC3 28286475 IKPAPFDHFLXYMO-QGZVFWFLSA-N 348.233 4.209 50 40 EIGB O=P(CC[C@@H](O)c1ccccc1)(c1ccccc1)c1ccccc1 100510867 AWRAXOQHOQETCY-OAQYLSRUSA-N 336.371 4.124 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1C(C)C 211460949 TVVUWIBLHQKYCB-DEFALTHMSA-N 335.451 4.470 50 40 EIGB COc1cccc(NC(=O)NNc2ccc(Cl)cc2Cl)c1 11559628 DUIMNXHBHYMZLM-UHFFFAOYSA-N 326.183 4.151 50 40 EIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C(=O)O)cc1 33783350 JNLZLPRZVAFAGM-QPEQYQDCSA-N 328.711 4.011 50 40 EIGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cc(F)ccc1F 35324255 QRCXUEPQQGTHIV-SFHVURJKSA-N 334.325 4.336 50 40 EIGB CCc1ccc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 1320202 BGKNEBCSDUHCLL-SITPEIFSSA-N 338.451 4.292 50 40 EIGB O=[N+]([O-])c1ccc(S[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2Cl)c([N+](=O)[O-])c1 5427661 DLPPCOIUXKIEMT-KNUWBNEDSA-N 340.788 4.167 50 40 EIGB COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)c1 96669710 FHKMSNJEOHBECV-ZROIWOOFSA-N 329.302 4.086 50 40 EIGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccccc1F 408857988 QXXBJPGSBCYPEA-CIAFOILYSA-N 341.773 4.034 50 40 EIGB CC(/C=N\NC(=O)c1cc2cc(Cl)ccc2o1)=C\c1ccco1 409023755 OPKJBBSMWVVJMT-GENALJBDSA-N 328.755 4.498 50 40 EIGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 377693 BWKJCVKPZFMBIN-FQEVSTJZSA-N 333.435 4.094 50 40 EIGB O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1)c1cc2ccccc2o1 408854629 JKJIEFTUMBAKLF-UWVJOHFNSA-N 349.173 4.209 50 40 EIGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccccc1 409130386 HOKQXPYNCMBILB-XQNSMLJCSA-N 345.446 4.177 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 16439299 QTQADZCBNFKGAX-QGOAFFKASA-N 332.403 4.414 50 40 EIGB CCCC[C@H](Br)C(=O)Nc1nc2ccccc2s1 20133122 LEDJQHVRIQUKKI-VIFPVBQESA-N 327.247 4.189 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 33329279 QOVPYAMOYXPHCH-WJDWOHSUSA-N 338.363 4.456 50 40 EIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC 408745266 KYGILGSDKGBZCP-AQTBWJFISA-N 332.403 4.278 50 40 EIGB COC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1 143457 FNJVOWSNKGWYIE-WOJGMQOQSA-N 348.402 4.142 50 40 EIGB O=C(N/N=C/c1c(F)cccc1Cl)c1cc2ccccc2cc1O 2098158 MKSVNXCBDXMYBF-UFFVCSGVSA-N 342.757 4.102 50 40 EIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(C)c1C 408782024 GODQRBHGRILHRB-NVNXTCNLSA-N 327.815 4.149 50 40 EIGB Cc1ccc(SCC(=O)N/N=C/c2ccc(C)c(C)c2C)cc1 408858297 OBQOQWVSLXNHET-RGVLZGJSSA-N 326.465 4.163 50 40 EIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409045774 HMXWLCKQGBZGBK-PXADHFOBSA-N 340.398 4.362 50 40 EIGB C/C(=N\NC(=O)CNc1ccccc1)c1ccc(-c2ccccc2)cc1 12362317 ZTFYMNIHWUFNIA-JJIBRWJFSA-N 343.430 4.306 50 40 EIGB CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 33318626 RXZGXCXUGIMIFQ-GRSHGNNSSA-N 337.206 4.156 50 40 EIGB COc1cccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c1 587258 RUEZQWNOMYIWNF-PXLXIMEGSA-N 330.387 4.126 50 40 EIGB N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 2738086 LCWPQSNKMVTOFY-GXDHUFHOSA-N 348.793 4.276 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)o1 39127397 GYUVJMWEVGMGAJ-VBKFSLOCSA-N 337.423 4.288 50 40 EIGB CCO[C@@H]1C[C@@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl 227002698 SLTXLYZUZLOALQ-OSMVPFSASA-N 334.634 4.334 50 40 EIGB CCCCOc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1 2768941 IBNWRIOZMUROFO-SILNSSARSA-N 348.446 4.131 50 40 EIGB Cc1ccc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1C 59679689 FDZXKDIZEDKJQP-CIAFOILYSA-N 334.423 4.259 50 40 EIGB N#C/C(=C/c1cccc(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 408955866 UYYOHWYEDNEGBN-YBEGLDIGSA-N 349.821 4.087 50 40 EIGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc2ccccc2c1 408960411 LMMZRFYZCBNEDM-XQNSMLJCSA-N 343.430 4.204 50 40 EIGB O=c1[nH]c2ccccc2nc1[C@@H](Cl)c1ccc(Br)cc1 5532386 CZPUOFKLCMAZFV-ZDUSSCGKSA-N 349.615 4.014 50 40 EIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1CC(C)C 6201842 OKNKKZZIKSMENI-KEBDBYFISA-N 331.847 4.178 50 40 EIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1cc(C)ccc1C 409359282 BEMWBRGWCPFBPO-MTJSOVHGSA-N 344.842 4.048 50 40 EIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OC(F)F)c1 1411007 DVXNVBYVKLSHQC-XNTDXEJSSA-N 342.345 4.451 50 40 EIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 4634905 MTCIIUCKROEZBG-XHBKTUGNSA-N 348.837 4.180 50 40 EIGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 8783478 NUMXWUFGAUZEAU-HNNXBMFYSA-N 336.439 4.049 50 40 EIGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1C 9201692 SXMBOALMEAKBSH-UDWIEESQSA-N 330.815 4.201 50 40 EIGB C=CCn1c(C)c(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21 15227467 YVJBDPQNPBBPBL-SAPNQHFASA-N 347.462 4.492 50 40 EIGB COc1ccc([C@@H](OC)[C@H](Br)C(=O)c2ccccc2)cc1 28294659 UBSDYWGCTHYLBH-NVXWUHKLSA-N 349.224 4.029 50 40 EIGB CC1(C)[C@H]2CC[C@@]1(C)C(=O)O[C@@H]2[C@H](Br)c1ccccc1 100364527 QYWCYKSLJQCHDH-LOUJCGABSA-N 337.257 4.491 50 40 EIGB Cc1ccc([C@@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1 393078 QPGXAGXIJHJYMA-GOSISDBHSA-N 342.427 4.134 50 40 EIGB biogenic N#C/C(=C/c1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl 3280149 YCHSQIZXBCFXKM-GDNBJRDFSA-N 345.229 4.259 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 16410019 VNLOBUJFNCLFGX-TWQQJCIXSA-N 332.403 4.036 50 40 EIGB CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)Nc3ccccc3)cc21 208440357 BTSSAGZWJSPVJB-HMAPJEAMSA-N 348.450 4.474 50 40 EIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 408750144 XQRRDIDYSVBELV-DJKKODMXSA-N 337.206 4.074 50 40 EIGB CC1=CC(=O)C=C/C1=N/c1ccc(N(CCCl)CCCl)cc1 4774374 LFWSLDLFKNVKPN-JZJYNLBNSA-N 337.250 4.128 50 40 EIGB N#C/C(=C\c1ccc(Br)cc1O)c1nc2ccccc2[nH]1 4864040 VSFMNGPWNNKEDH-YRNVUSSQSA-N 340.180 4.095 50 40 EIGB O=C(N/N=C/c1cc(-c2ccccc2)oc1Cl)c1cccc(O)c1 20530264 BURVXXRLAMZUFC-RGVLZGJSSA-N 340.766 4.070 50 40 EIGB CCOc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1 20764207 SQDINBMJNFPXDU-HYARGMPZSA-N 348.402 4.011 50 40 EIGB N#C/C(=C\c1csc(-c2ccccn2)n1)c1nc2ccccc2[nH]1 44013537 MLRMUVDMGRRXEW-FMIVXFBMSA-N 329.388 4.146 50 40 EIGB CNC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C 223513572 RJROCZTWXSNTFJ-MFOYZWKCSA-N 337.467 4.058 50 40 EIGB COc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1[C@H]2CCCC[C@]21C 408718917 VRSUZNFLHQQONU-CWBRXDJISA-N 336.435 4.125 50 40 EIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(O)c(Cl)c1 408774092 AKJXVCSPTMTWTK-XGICHPGQSA-N 348.793 4.054 50 40 EIGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Cl 408878724 CXARTBSKQBONHP-CIAFOILYSA-N 338.794 4.266 50 40 EIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 409366593 WUEPOYRNFQDJEU-XGICHPGQSA-N 328.711 4.041 50 40 EIGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(Br)c1 6587682 DLVOQQBBGZSQMK-HZNNPKNDSA-N 347.256 4.051 50 40 EIGB CCC/C(=N\NC(=O)c1cc2cc(OC)ccc2[nH]1)c1ccccc1 9614563 NGCGMIANWPVICG-RELWKKBWSA-N 335.407 4.111 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1O 23612249 UOPBOMYCTOXVEB-XYOKQWHBSA-N 341.317 4.210 50 40 EIGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OC(C)C 408542698 NHRQCLNPQJRPFF-YVLHZVERSA-N 337.375 4.245 50 40 EIGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1cccnc1 408545169 ZOSLVDFILDQERD-ODLFYWEKSA-N 343.386 4.252 50 40 EIGB CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 408600913 HBJMVWNMJVGAKK-HMHKGCENSA-N 330.815 4.281 50 40 EIGB CCCCCOc1ccc(/C(C)=N\NC(=O)Cc2ccccc2)cc1 408739489 WSXMZXHIBGOJJL-XLNRJJMWSA-N 338.451 4.339 50 40 EIGB N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccccc1 4728975 SOOFOVWCKIIVJR-MOSHPQCFSA-N 339.354 4.190 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7384345 GFISEGRPPQHWGB-PXLXIMEGSA-N 335.451 4.174 50 40 EIGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(F)cc1 8812451 INNWETGCSCQMSL-OEAKJJBVSA-N 348.377 4.308 50 40 EIGB CC(=O)Nc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1 27481028 GUKAQPUWKPDQLG-OAHLLOKOSA-N 338.498 4.298 50 40 EIGB biogenic N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 63412567 HBZSZEMCIDSJEI-RIYZIHGNSA-N 334.360 4.177 50 40 EIGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(N)=S 408543860 SBIVGFSRXXSEHT-NTEUORMPSA-N 328.824 4.112 50 40 EIGB CC(C)(C)c1cc(/C=N/NC(=O)c2ccco2)cc(C(C)(C)C)c1O 548316 GKKWEIURTBFVIF-CIAFOILYSA-N 342.439 4.344 50 40 EIGB N#C/C(=C\c1cccc(O)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 16399464 KUJWKPBVROYBQP-RIYZIHGNSA-N 349.371 4.488 50 40 EIGB CCCCOc1ccccc1/C=C/C(=O)Oc1ccc([N+](=O)[O-])cc1 103591750 DRQYPZIKTVVLGE-MDWZMJQESA-N 341.363 4.393 50 40 EIGB Cc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1 408745618 UISJIVIWVJGIQK-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB C[C@@H]1CCCCCCCCCCC1=NNC(=O)CC1(C)OCCO1 502319 YBWFCJAVYGZCAH-MRXNPFEDSA-N 338.492 4.162 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 3899758 ZJXNCJQTMPHHLX-DTQAZKPQSA-N 344.418 4.246 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 16438665 RJELQQUFORUGQK-QGOAFFKASA-N 332.403 4.414 50 40 EIGB CCCCCCCCCCCCCCCCNCCC(=O)NN 100016120 KHSXKEPDXGJZMR-UHFFFAOYSA-N 327.557 4.437 50 40 EIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 408842486 PQDRVONVIGPHPW-XSFVSMFZSA-N 339.395 4.068 50 40 EIGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(N)=O 408871721 ZPKBZINKPZEAKN-LDADJPATSA-N 342.398 4.120 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1 1449393 IMVGXXHKSWEGHZ-OEAKJJBVSA-N 346.430 4.492 50 40 EIGB Cc1cccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1 33286329 PDYXTXFVOFJHLA-HAHDFKILSA-N 344.414 4.338 50 40 EIGB C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102380896 DRNISQFRIZSJKT-VZSITLLSSA-N 348.874 4.344 50 40 EIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1 408858823 SZNOLSMXGKJHPX-STZFKDTASA-N 341.842 4.094 50 40 EIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(CC)cc3)cc2c1 409186382 BFOYTECHHLURFX-BKUYFWCQSA-N 336.391 4.158 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1 31145 LFOXEUORPHFCOL-SITPEIFSSA-N 331.419 4.099 50 40 EIGB CCCCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1 3152090 SINSXHGGEKAPPH-DEDYPNTBSA-N 330.815 4.283 50 40 EIGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1 409021686 TXBKTQLXXJHPGJ-ATVHPVEESA-N 339.354 4.364 50 40 EIGB COc1ccc(-n2cccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 6953584 PUIFBZCTPDMYGJ-SSZFMOIBSA-N 345.358 4.458 50 40 EIGB CC1=C(NCC2=C(O)CCCC2)N[C@H](Br)c2ccccc21 101653336 WJYJOLFNVLGZSB-INIZCTEOSA-N 349.272 4.348 50 40 EIGB CCCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC 7000957 AKDXWVQVPAHGQH-RVDMUPIBSA-N 333.391 4.424 50 40 EIGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1C1CCCCC1 19635072 PVWXIJMTMMWKJC-PXLXIMEGSA-N 337.467 4.303 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)o1 59425749 FQHAVYMVHOJAGY-VXLYETTFSA-N 328.755 4.265 50 40 EIGB COc1cccc(C(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2F)c1 95410227 FSRDHFPGQBUAKS-NTEUORMPSA-N 347.349 4.014 50 40 EIGB Clc1ccc(C[C@H](Br)CCBr)cc1 242592253 OOZQYMNRBPHTLT-SECBINFHSA-N 326.459 4.431 50 40 EIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 408805022 IMBNGEAPXMKEMO-VCTZYMJXSA-N 340.467 4.323 50 40 EIGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 408998968 RABYTSCZLQOYDI-HAHDFKILSA-N 345.446 4.420 50 40 EIGB Cc1ccc(/C=C/C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 409066090 GYJLKKTWNOHEOT-IHNJQJBZSA-N 333.218 4.465 50 40 EIGB CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2669702 IUCVSKOYLIPOBH-HLVNSREUSA-N 340.335 4.103 50 40 EIGB O=[P@@]1(Oc2ccccc2)N(CCCl)CCN1c1ccccc1 6002612 CVQCURZCJPYEAF-JOCHJYFZSA-N 336.759 4.235 50 40 EIGB O=C(CCC1CCCCC1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6049199 CLIAGHGVGCMROL-UHFFFAOYSA-N 346.515 4.101 50 40 EIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2cc(F)ccc12 98008696 AXFMVKZUSLUJIC-KPKJPENVSA-N 335.294 4.005 50 40 EIGB CCN(CC)C(=O)NC1=C(C#N)C2(CCCCC2)Cc2ccccc21 27534311 BORMGVPJHNHNAR-UHFFFAOYSA-N 337.467 4.479 50 40 EIGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc3ccccc3s2)cc1 100915030 PJSDGYRNIHXQPP-OWBHPGMISA-N 349.415 4.450 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1C 408985901 NWPGKZVDNXWREX-XYOKQWHBSA-N 345.196 4.205 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(F)cc1 409110252 AGLSUYSMKUDICI-ZXOFLVKFSA-N 330.428 4.155 50 40 EIGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1 5578368 ZMNOFVDNVWWZKW-UHFFFAOYSA-N 328.415 4.258 50 40 EIGB CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)c1 8846162 DFQGIJRNROYTBZ-FQEVSTJZSA-N 349.434 4.056 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(C(C)C)cc1 59333757 PLQJHDDEFCSLKG-UNOMPAQXSA-N 335.451 4.213 50 40 EIGB CNC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409108219 VUNAWHMOHVNBIM-RAXLEYEMSA-N 328.824 4.144 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1Cl)[C@H]1C[C@@H]1c1ccccc1 1057047 TZSWVFPXTOCTJC-CRHHGDJKSA-N 333.218 4.247 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 59473799 QURMHYSCYUBUGH-OTGIAGGSSA-N 332.856 4.279 50 40 EIGB O=C(Nc1ccc([N+](=O)[O-])cc1)NN(c1ccccc1)c1ccccc1 33040328 XPOUQXCDEUZAPP-UHFFFAOYSA-N 348.362 4.470 50 40 EIGB C[C@@H]1CCCCCCCCCC/C1=N\NC(=O)CC1(C)OCCO1 100152748 YBWFCJAVYGZCAH-HNOLQLOCSA-N 338.492 4.162 50 40 EIGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 59473395 MRQCKPUOVVNVCX-CPNJWEJPSA-N 332.856 4.114 50 40 EIGB N#CC(C#N)=C1NC(c2ccccc2Cl)=C2CCCCC2=C1C#N 102413713 FZTANDPHUOKTCA-UHFFFAOYSA-N 332.794 4.350 50 40 EIGB Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)NC2CCCC2)c1C 409188137 AZHHSYYPOWSJEF-LGMDPLHJSA-N 333.435 4.060 50 40 EIGB O=C(C[C@H](c1ccccc1)[C@@H](Br)[N+](=O)[O-])c1ccccc1 1664813 CRXLMPNUYVJICQ-ZBFHGGJFSA-N 348.196 4.041 50 40 EIGB O=C(N/N=C/c1ccc(Cl)s1)c1ccc(Cl)cc1Cl 2790707 MFDOADXTEFXQCP-OMCISZLKSA-N 333.627 4.472 50 40 EIGB CC1=C/C(=N\NC(=O)c2sc(-c3ccc(Cl)cc3)cc2N)CC1 6955031 MRZJTLIWLUUTSO-MOSHPQCFSA-N 345.855 4.477 50 40 EIGB CC[C@H](Br)C(=O)Nc1nc2cc(C)c(C)cc2s1 20132211 ZHWKZBKCRVWYMD-VIFPVBQESA-N 327.247 4.025 50 40 EIGB FC(F)(F)[C@@H](Br)COc1ccccc1Br 82863648 PFJYEDRPKVEFME-QMMMGPOBSA-N 347.956 4.154 50 40 EIGB O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 195548429 PMGDBNIUBJQKNU-XCALXHAASA-N 340.305 4.025 50 40 EIGB O=NN(CCCl)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 5045764 OIBMUIUVFZTWAW-UHFFFAOYSA-N 348.630 4.087 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 5751656 OQHUCSRLLXZVGQ-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2cccc3ccccc23)c1 8811039 GSASUASIQYOKCD-HYARGMPZSA-N 348.402 4.011 50 40 EIGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1O 31934941 WKGABHCJWSQWMP-JYRVWZFOSA-N 330.181 4.227 50 40 EIGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 409193604 HOTXBHLGEGMPCC-FYJGNVAPSA-N 337.810 4.203 50 40 EIGB Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](C)Cl)cc1 303573 DFEVABUBOIZYAA-CYBMUJFWSA-N 332.787 4.064 50 40 EIGB C[C@@H]1CCC/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)C1 4499103 OHINBUMHDDOGKO-LFAWPXTESA-N 329.227 4.055 50 40 EIGB Cc1c(/C=N\NC(=O)c2ccc3ccccc3c2)c2ccccc2n1C 12363893 LJCNXAFVWVGAJW-UCQKPKSFSA-N 341.414 4.404 50 40 EIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccn1 15013637 OQDJNDZMDXRHQD-SFQUDFHCSA-N 339.402 4.430 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1O 259332 KYRMLPSRORCQRV-LICLKQGHSA-N 344.370 4.100 50 40 EIGB CC(C)(C)N[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95676755 FFSYLQAEXQFAHN-UHFFFAOYSA-N 334.423 4.284 50 40 EIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Cl)cc1 100194985 BDXCYUHWYQMZCD-AUWJEWJLSA-N 332.794 4.349 50 40 EIGB C[N+](CCCl)(CCCl)Cc1cccc2cccc([N+](=O)[O-])c12 1639109 VNXCXXXBZQXERY-UHFFFAOYSA-N 342.246 4.172 50 40 EIGB COc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1OC(C)C 4539104 QKFUGMCZEOEDTD-PTNGSMBKSA-N 333.391 4.423 50 40 EIGB CC(C)(C)OC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 6313438 FVVJRRQQECCIBH-DEDYPNTBSA-N 326.396 4.124 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1 33377457 IYLKGMRXPCPEJK-VKAVYKQESA-N 330.435 4.484 50 40 EIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O 408887095 MAPRAJLGFXWLJX-NTEUORMPSA-N 326.783 4.154 50 40 EIGB Cc1cc(C(=O)CCl)c(C)n1-c1cccc(Br)c1 2661423 XRZKRJMMLOKWAT-UHFFFAOYSA-N 326.621 4.278 50 40 EIGB COc1ccc(Cl)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1 408581495 XIATZBDLCDWPBB-RIYZIHGNSA-N 329.783 4.430 50 40 EIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408795284 LWNLOZBZNPFAQK-GXDHUFHOSA-N 326.783 4.284 50 40 EIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NC1CC1 7164081 XDBOYXGSQUIDAN-YRNVUSSQSA-N 347.201 4.439 50 40 EIGB CCc1ccc(/C(C)=N\NC(=O)CNc2ccc3ccccc3c2)cc1 13388297 UKAYSPOJIAOSPO-JLPGSUDCSA-N 345.446 4.355 50 40 EIGB O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cc2ccccc2o1 408856713 LETNIBGVYRLAPU-UWVJOHFNSA-N 349.173 4.209 50 40 EIGB CO[P@@](=O)(C#Cc1ccccc1)[C@@](O)(CCl)c1ccccc1 528871 MUYMDAHYYSCLCL-JTSKRJEESA-N 334.739 4.004 50 40 EIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@@H]2CC[C@@H]1C2 102126683 AKVPWZWFZVPZAV-JDLSYCJXSA-N 341.238 4.053 50 40 EIGB CCCCOc1ccc(/C(C)=N\NC(=O)Cc2ccc(C)cc2)cc1 408737697 VJAXGUJEOWKADV-XLNRJJMWSA-N 338.451 4.257 50 40 EIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 408819512 XNZLOXCMQCHNLZ-RVDMUPIBSA-N 339.826 4.260 50 40 EIGB Cc1c(C(=O)CCl)c2ccccn2c1C(=O)c1ccc(F)cc1 3316854 YYAXBTAUFRRRPP-UHFFFAOYSA-N 329.758 4.039 50 40 EIGB O=C(NNc1ccccc1)c1cc(-c2ccccn2)nc2ccccc12 16740439 YYZKXEBMMVBMJE-UHFFFAOYSA-N 340.386 4.054 50 40 EIGB Cc1cc(C)c2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 20133285 NNNYHHLNYOUWTJ-LLVKDONJSA-N 341.274 4.271 50 40 EIGB N#CSCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 216856040 FUFRQPVBYRACIJ-UHFFFAOYSA-N 343.795 4.301 50 40 EIGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 408592401 XZYYJSWNRYZLNJ-HYARGMPZSA-N 331.419 4.166 50 40 EIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12 408816067 QWFGKEYHFZMZCL-RVDMUPIBSA-N 345.402 4.339 50 40 EIGB COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1 408874593 CGOBWENTEHIZHU-VGOFMYFVSA-N 326.783 4.203 50 40 EIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1ccc(F)cc1 409221664 UNSLZKIPUMKFKK-VBKFSLOCSA-N 332.334 4.379 50 40 EIGB CCCCCOc1ccccc1/C=N/NC(=O)c1ccc(F)cc1 48523644 JWGDDHDVUMQNJX-KGENOOAVSA-N 328.387 4.159 50 40 EIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cc2ccccc2o1 408941824 KMEAICVEEVEIOD-JCMHNJIXSA-N 347.418 4.187 50 40 EIGB CC(C)=NNC(=O)CCn1cnc(-c2ccccc2)c1-c1ccccc1 571504 INVGFRMDKOAIDV-UHFFFAOYSA-N 346.434 4.119 50 40 EIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1nnc2n1CCCCC2 16411931 JWOXLRNXSHBADM-XYOKQWHBSA-N 333.222 4.375 50 40 EIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 63412571 CLDIVBDISFFHDV-NTEUORMPSA-N 334.360 4.177 50 40 EIGB CCOC(=O)c1ccccc1C(=O)CCCCCBr 575361767 KQORHNBZSRPXSX-UHFFFAOYSA-N 327.218 4.001 50 40 EIGB N#C/C(=C\c1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 495966 UETWAKPYJFYGOT-KPKJPENVSA-N 345.152 4.127 50 40 EIGB Cc1ccc(C2(c3ccc(C)cc3)OC[C@H](CBr)O2)cc1 1671120 QJKYQCYOKIEGMB-KRWDZBQOSA-N 347.252 4.315 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(F)F)c(C)c1 3329449 YCJVTSDYYMBIKE-XNTDXEJSSA-N 342.345 4.451 50 40 EIGB N#C/C=C/c1cc(Br)ccc1OCc1ccccc1C#N 6322933 XTMWOVPHGFLNOL-ZZXKWVIFSA-N 339.192 4.437 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(C)c1O 6825849 WNCKNAHPYFPTCT-ZROIWOOFSA-N 326.783 4.208 50 40 EIGB CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CCl 9482690 KIVXJBZEAOJHGN-AWEZNQCLSA-N 346.858 4.106 50 40 EIGB COc1ccc(C(=O)N/N=C(\C)c2cccc3ccccc23)c(OC)c1 33538855 CEAAUJNMMWEWSB-HYARGMPZSA-N 348.402 4.011 50 40 EIGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCBr 95707945 UDFSAZKDTBRQDY-UHFFFAOYSA-N 326.984 4.240 50 40 EIGB in-vitro Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)c1 408757578 AFXXORNPVGKUPR-HZHRSRAPSA-N 345.446 4.095 50 40 EIGB N#C/C(=C\c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 148330 KQZBZRPHPFTFSB-OQLLNIDSSA-N 338.215 4.332 50 40 EIGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 3067923 FAVKFBTYNKQCEW-HAVVHWLPSA-N 343.430 4.147 50 40 EIGB CCOc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1OC 44028484 KTCXYDYBARQEOF-ZROIWOOFSA-N 327.405 4.254 50 40 EIGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(F)(F)F 96189820 MBKLRNBJVIILKZ-MDWZMJQESA-N 334.297 4.095 50 40 EIGB COCCCn1c(CCl)cs/c1=N/c1cccc(Cl)c1 100375330 VGWKYSJIBOLPFG-SAPNQHFASA-N 331.268 4.211 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)cn1 536441 XSPPLVYWHXDWRB-SRZZPIQSSA-N 339.782 4.067 50 40 EIGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/C1CCCCC1 6269822 CJBNTUBDIZFMGM-DEDYPNTBSA-N 336.863 4.490 50 40 EIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)o1 409373035 VSVXYGOLJGFTDA-FYJGNVAPSA-N 336.391 4.294 50 40 EIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 343124 AFEINLLHMSHSFB-GIJQJNRQSA-N 339.247 4.236 50 40 EIGB CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 4508830 RWDJHBKGGMKKMS-LGMDPLHJSA-N 343.386 4.009 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)cc1 5337640 ATSQEMNSMWRSOM-HYARGMPZSA-N 331.419 4.166 50 40 EIGB O=C(CCl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 38198109 SYSPYOPJPIGDEF-OUCXFHLZSA-N 344.798 4.234 50 40 EIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccc(C)cc1C 216038485 QHCXGPLGVLLSHZ-MTJSOVHGSA-N 344.842 4.048 50 40 EIGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccsc2)cc1 137806 REYIWBVKQMEKHM-YRIIZNAFSA-N 330.453 4.181 50 40 EIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccccc1Cl 564017 VXNQTMPUSWYMTP-FYJGNVAPSA-N 341.842 4.013 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 3245113 WHDBJKHNDXAISL-DTQAZKPQSA-N 337.398 4.218 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)cc1 6828071 TWUSUXSJVCMUAU-VBKFSLOCSA-N 336.391 4.028 50 40 EIGB O=C(COc1ccc2ccccc2c1)N/N=C/C=C/C=C/c1ccco1 6995639 KIKVLBGQZQVXHC-CRKHMQLNSA-N 346.386 4.183 50 40 EIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1 409370511 RYDAAXTVSMKKLX-WJDWOHSUSA-N 349.365 4.181 50 40 EIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 1453871 UJDTVKPYXSTSEE-FOWTUZBSSA-N 336.391 4.028 50 40 EIGB COc1cc(/C=C(/C#N)c2nc3ccccc3o2)cc(SC#N)c1O 409060154 XXKONZDMTWGEQS-SDQBBNPISA-N 349.371 4.179 50 40 EIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3Cl)cc2c1 409184244 JQTCENIAHDBCNS-JAIQZWGSSA-N 342.782 4.249 50 40 EIGB FC(F)(F)c1cc(C#CCBr)cc(C(F)(F)F)c1 2577654 MSPOYOJPUQITPI-UHFFFAOYSA-N 331.053 4.471 50 40 EIGB CCOc1cc(C=C(C#N)C#N)ccc1OCCOc1ccc(C)cc1 4182050 NBEURDVZTMKIFS-UHFFFAOYSA-N 348.402 4.282 50 40 EIGB COc1cc(-c2noc(CCCl)n2)ccc1OCc1ccccc1 72220493 MIZAQNCWEMCGRB-UHFFFAOYSA-N 344.798 4.106 50 40 EIGB O=C(CCCC[C@@H]1CCSS1)NCc1c(F)cccc1F 96222553 UPPRSTVSWSKRFU-LLVKDONJSA-N 331.453 4.295 50 40 EIGB biogenic C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)[C@H]1C[C@H]2CC[C@H]1C2 106272311 DRNISQFRIZSJKT-CSWNFDPBSA-N 348.874 4.344 50 40 EIGB Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccccc1Cl 3167537 UDDIGBORVHBDPD-SRZZPIQSSA-N 344.842 4.301 50 40 EIGB CCc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 4651650 LYAVGNYJBRNEJP-UDWIEESQSA-N 330.497 4.367 50 40 EIGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O 195294972 NUWMQHAXIUKJPN-MHWRWJLKSA-N 336.347 4.102 50 40 EIGB Cc1cc(NC(=O)CSC#N)cc2nc(-c3ccccc3F)oc12 216855746 XRISKAXWEQLZGP-UHFFFAOYSA-N 341.367 4.095 50 40 EIGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1cc(C)ccc1C 409360008 CWSNUHKUPJYIHP-OEAKJJBVSA-N 346.430 4.158 50 40 EIGB N#CC(Nc1cc(Cl)cc(Cl)c1)=C1C(=O)c2ccccc2C1=O 149282 LKUQLDYGLHALEE-UHFFFAOYSA-N 343.169 4.262 50 40 EIGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3ccc4ccc(O)cc4c32)cc1 367428 LVJHANVRXQUXIS-IBGZPJMESA-N 328.371 4.072 50 40 EIGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(CC)CC)ccc32)cc1 377678 XKFXMKDDWOOUJC-NRFANRHFSA-N 347.462 4.313 50 40 EIGB Cc1ccsc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 16363130 AXZHFOLKWDQLSH-FLIBITNWSA-N 347.237 4.365 50 40 EIGB O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccco1 33328974 XGPQPEDDBNAKEH-XKZIYDEJSA-N 343.386 4.047 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)c1C 67006015 CGFUMBSCFUYGOK-ZSOIEALJSA-N 326.783 4.208 50 40 EIGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1 408600717 FLPUKMIDYZJWAB-OVGFGYAMSA-N 326.440 4.220 50 40 EIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)CC)cc2)C1 358104 XMVDLLYYIXBGPR-KDCJFMNISA-N 339.439 4.053 50 40 EIGB C/C(=N/NC(=O)CNc1c(C)cccc1C)c1ccc2c(c1)CCCC2 4077112 KYBCLXFYFDUVGT-ULJHMMPZSA-N 349.478 4.135 50 40 EIGB Cc1csc(/C(C#N)=C/c2cc([N+](=O)[O-])ccc2OC(F)F)n1 5574728 UNLTVXXYPUIBRY-ONNFQVAWSA-N 337.307 4.025 50 40 EIGB N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 57414016 YIFJHHAVPDRCMY-ZHACJKMWSA-N 332.190 4.451 50 40 EIGB Cc1ccc(-c2nc3cc(NC(=O)CSC#N)cc(C)c3o2)cc1 216855667 KGOQWLARUZXBOT-UHFFFAOYSA-N 337.404 4.264 50 40 EIGB N#C/C(=C/c1cc2c(cc1Cl)OCO2)c1nc2ccc(F)cc2[nH]1 408570708 XSKAKJRFJREWQJ-KMKOMSMNSA-N 341.729 4.148 50 40 EIGB CC1(C)[C@H](CBr)CC[C@]1(C)C(=O)Oc1ccccc1 3845944 CERIJVMFMSRHSU-BLLLJJGKSA-N 325.246 4.429 50 40 EIGB biogenic COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 40865902 IXJLMDAGPSOIRH-NTEUORMPSA-N 326.783 4.203 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(OC)c2)cc1 408868485 MRQJCELOXWMWJX-OVCLIPMQSA-N 340.810 4.457 50 40 EIGB Cc1ccc(C(=O)NN=C2c3ccccc3-c3ccccc32)c(C)c1 3315653 LPSMTCJEHOXFSB-UHFFFAOYSA-N 326.399 4.466 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1 15219441 GRQCGTMSJNRVPV-KAMYIIQDSA-N 326.783 4.284 50 40 EIGB C/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1cccnc1 17071782 HWZHQHDGCMHKJC-RGVLZGJSSA-N 343.839 4.412 50 40 EIGB COc1ccc2cc(/C(C)=N/NC(=O)c3cc(C)oc3C)ccc2c1 6929057 UQKOAXXDXNTGDQ-FYJGNVAPSA-N 336.391 4.212 50 40 EIGB O=C(CCl)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 9156368 YTFFXEGRKCZJAC-UHFFFAOYSA-N 335.643 4.218 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2)c1 5747904 QRIQYBCFMQXAOY-UVTDQMKNSA-N 341.208 4.303 50 40 EIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 6079392 IKUXQHZNULRZNM-SSZFMOIBSA-N 343.386 4.037 50 40 EIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(F)c2)c1C 8708829 BJXNROCGDBMVCJ-MHWRWJLKSA-N 325.387 4.200 50 40 EIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1O 408744805 HJTLXOITRSEVOE-PTNGSMBKSA-N 338.794 4.320 50 40 EIGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1 408745482 SQIKZWPGWAOJSF-ZROIWOOFSA-N 326.783 4.203 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(C)c3ccccc23)c1 408744001 JBTGYUQXBRGWQJ-VBKFSLOCSA-N 329.403 4.341 50 40 EIGB ClCCN(CCCl)c1ccc(CN2CCCCCC2)cc1 1763142 LAOHFFDXOSWYPV-UHFFFAOYSA-N 329.315 4.347 50 40 EIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(F)cc2)c1C 8812238 RKAUTQWHNLHVRC-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 59333543 TYYMFYJGENHXTH-YRNVUSSQSA-N 335.190 4.249 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(C(C)(C)C)cc1 96476251 NEMRNTNAWDEILA-AQTBWJFISA-N 349.478 4.387 50 40 EIGB Cc1ccsc1[C@H]1C(C#N)=C(N)SC2=C1C(=O)CC(C)(C)C2 214307 QPQOQJCHCVXYET-ZDUSSCGKSA-N 330.478 4.224 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccccn1 4682589 WFRRYWRIXQRHNX-AQTBWJFISA-N 342.402 4.035 50 40 EIGB CC1(C)CC(NC(=O)CCCC[C@H]2CCSS2)CC(C)(C)N1 73558773 IBMXIZJZHGEOEH-AWEZNQCLSA-N 344.590 4.126 50 40 EIGB biogenic N#Cc1c(NC(=O)CCl)sc2c1CC[C@H](c1ccccc1)C2 74941626 VHXORCUCQFTNBZ-LBPRGKRZSA-N 330.840 4.070 50 40 EIGB O=P(CCl)(CCl)O[C@@H](CCl)COc1ccccc1 3159368 PATYEAVVYOKPHV-NSHDSACASA-N 331.563 4.360 50 40 EIGB CC[C@@H](Br)C(=O)Nc1nc2cc(Cl)c(C)cc2s1 20132246 HDEUVHNHALRQGN-SSDOTTSWSA-N 347.665 4.370 50 40 EIGB [N-]=[N+]=Nc1ccc(C(=O)NCCSSc2ccccn2)cc1 33753348 CBXHWNANYODAMB-UHFFFAOYSA-N 331.426 4.194 50 40 EIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(F)cc1 59473386 LYGLQMHMMRIFFN-VURRPDKYSA-N 336.819 4.110 50 40 EIGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F 211420413 NLQBKSVKNDIHBQ-WQLSENKSSA-N 334.272 4.390 50 40 EIGB O=C(Oc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 368039 LNXCCUOMRDQGNL-UHFFFAOYSA-N 333.343 4.332 50 40 EIGB CN(C)c1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2)cc1 1735303 LYHWGMLEEHKVDH-XQNSMLJCSA-N 343.430 4.184 50 40 EIGB COc1ccc(NC(=O)NC2=C(C#N)C(C)(C)Cc3ccccc32)cc1 15841461 MXHSHMFTFKWVEO-UHFFFAOYSA-N 347.418 4.334 50 40 EIGB C[C@H](Cl)C(=O)Nc1ccc(N2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 230210058 SZCPRSXBUGSUHN-UTUOFQBUSA-N 329.271 4.388 50 40 EIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 409250451 MADMGUQKNNETEZ-OEAKJJBVSA-N 333.435 4.158 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(Cl)cc1Cl 485396 RCXTZHHFDWVKKQ-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB CCCc1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2)cc1 3167436 KHZMMOHGVQUGPG-HZHRSRAPSA-N 346.430 4.321 50 40 EIGB COc1ccc(-c2ccc(/C=C/C(=O)Cl)o2)c(Br)c1 57353779 OXIKXCRLLKAPQQ-QPJJXVBHSA-N 341.588 4.496 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1)c1ccccc1 72634768 ZVIREZWFQUECFG-KXGFGANYSA-N 349.434 4.054 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1C 408790457 RPPPNAASWOHXQV-ODLFYWEKSA-N 335.451 4.143 50 40 EIGB C[C@H]1CC[C@@](C)(C(=O)C(Br)Br)C1(C)C 4266821 CJHCACLPNGEXBJ-CPCISQLKSA-N 326.072 4.134 50 40 EIGB biogenic Cc1cc(C)c2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 20133289 NNNYHHLNYOUWTJ-NSHDSACASA-N 341.274 4.271 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC 40889215 CPLXUZXDHVRLBH-VBKFSLOCSA-N 336.391 4.030 50 40 EIGB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1OO3 104137084 IQKPNFFLSFPURG-LWFMFQAFSA-N 334.456 4.349 50 40 EIGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C 408758391 JMBDJXPFKKXCKL-UYRXBGFRSA-N 335.451 4.178 50 40 EIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1Cl 409011269 GUBRPKBSQXMGAW-DZUMZMOTSA-N 330.815 4.281 50 40 EIGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 409238383 ZEKIDUHFQATBMD-HYARGMPZSA-N 347.443 4.305 50 40 EIGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc2ccccc2cc1O 5905651 UFFRGOLKERWJFM-UHFFFAOYSA-N 334.419 4.087 50 40 EIGB N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(O)cc1 33880859 VMDXCQBUXCCVBM-QINSGFPZSA-N 330.343 4.198 50 40 EIGB O=C(N/N=C\c1cccs1)[C@@H]1CC1(c1ccccc1)c1ccccc1 5005876 AWKPJNRMECEBNV-UQRWVXEISA-N 346.455 4.204 50 40 EIGB CC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1 19805754 GZRDGYYIAYZMAM-MRXNPFEDSA-N 333.218 4.485 50 40 EIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc2ccccc2c1 4723647 ANJWAAUNEAGOOI-MFOYZWKCSA-N 342.354 4.114 50 40 EIGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c2ccccc21 4959616 STNISPCZIFAFOQ-LGMDPLHJSA-N 339.398 4.129 50 40 EIGB N#CC(C#N)=Cc1ccc(OCc2ccccc2)c(Br)c1 6223285 VQIOZTZGSLINJH-UHFFFAOYSA-N 339.192 4.459 50 40 EIGB O=C(Nc1ccc2c(c1)CCC2)[C@H](Br)c1ccccc1 95929088 LNDPHMMYBBCYKA-MRXNPFEDSA-N 330.225 4.250 50 40 EIGB C/C=C1\C[N@@+]2(CCCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 245377505 LQDGJFHWZHMWLV-SWBODGQOSA-O 349.498 4.172 50 40 EIGB O=C(c1ccc(OCCN2CCCC2)cc1)[C@H](Cl)c1ccccc1 575358986 LGSZSTHYVOKWCI-LJQANCHMSA-N 343.854 4.324 50 40 EIGB COC(=O)c1c(NC(=O)CCl)sc(Cl)c1-c1ccccc1 1465625 SIDIUZQOZUOHGR-UHFFFAOYSA-N 344.219 4.032 50 40 EIGB Cc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 5380239 GLXSGFDNIUTQTH-VXLYETTFSA-N 332.856 4.032 50 40 EIGB CCCC[C@H](CC)COC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 22112569 KMOLKUNBVGJJIE-VUVCFOEZSA-N 345.439 4.370 50 40 EIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\C=C\c2ccccc2)c1C 33340384 WWMMODKTNBMJHZ-JUBDITTISA-N 348.402 4.154 50 40 EIGB N#C/C(=C\c1ccc(O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 44827385 PSGORMPWXFHBDD-NTEUORMPSA-N 349.371 4.488 50 40 EIGB FC(F)(F)[C@@H](Br)COc1cccc(Br)c1 82863596 RLLVYSZRRNSCSZ-QMMMGPOBSA-N 347.956 4.154 50 40 EIGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1)[C@@H](C)CC(C)(C)N2C 208209707 JQVKAABGCWYSHP-YQCVNYCESA-N 349.478 4.481 50 40 EIGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1 409000321 YNJNOZHLGLSPIQ-CIAFOILYSA-N 335.407 4.068 50 40 EIGB CCC(O)(CC)C(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1 510461 QXQQNBKGTDJHEI-UHFFFAOYSA-N 326.440 4.215 50 40 EIGB Cc1ccccc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 565790 HNJJSTXCZBTIGX-HZHRSRAPSA-N 344.414 4.191 50 40 EIGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc2ccccc2c1 4587708 NLGCAEQYSJJAMV-ASIXBHFTSA-N 328.415 4.484 50 40 EIGB C[C@H]1CCCCCCCCCC/C1=N/NC(=O)CC1(C)OCCO1 4808299 YBWFCJAVYGZCAH-BWGFTNSASA-N 338.492 4.162 50 40 EIGB N#C/C(=C\c1cccc2ccccc12)C(=O)NCCc1ccccc1 7158667 WTSZODLUDOCFEA-HMMYKYKNSA-N 326.399 4.106 50 40 EIGB N#CC1=C(S)N(c2cccc3ccccc23)C2(CCCCC2)NC1=O 19810144 CHUKKDKRVOVHBV-UHFFFAOYSA-N 349.459 4.101 50 40 EIGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1 408543022 MVSGYHKDUYHNBG-VIZOYTHASA-N 333.391 4.261 50 40 EIGB N#C/C(=C/c1cccc(Br)c1)Cn1cnc2ccccc21 408691667 KWQGPUJRFAOKRC-ZSOIEALJSA-N 338.208 4.406 50 40 EIGB CCCCC(O)(CCCC)C(=O)N/N=C(\C)c1ccc(Cl)cc1 4812568 GTDASQIQSZLVMI-XSFVSMFZSA-N 338.879 4.292 50 40 EIGB COc1cccc(/C(C)=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 6052385 PUIBSEQMNBDPDX-UNDKWDADSA-N 342.464 4.036 50 40 EIGB CC[C@H](Br)C(=O)Nc1nc2c(C)cc(C)cc2s1 20132198 OSAAIPDFRKSYQZ-VIFPVBQESA-N 327.247 4.025 50 40 EIGB N#C/C(=C/c1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 39486027 SECTZMLMKUJZGR-GHXNOFRVSA-N 334.272 4.390 50 40 EIGB O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1cccs1 409002243 ZIDUZZOYUFPEOD-BOPFTXTBSA-N 328.418 4.256 50 40 EIGB O=C(CCl)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 3885265 SYSPYOPJPIGDEF-JTOMGZGXSA-N 344.798 4.234 50 40 EIGB Cc1ccc2nc(C)c(C(=O)NN=C3CCC(C(C)(C)C)CC3)n2c1 408982708 YRERIYUSXSUYIL-UHFFFAOYSA-N 340.471 4.273 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1 409391689 KRXQRKXRZZPZIX-VBKFSLOCSA-N 346.434 4.482 50 40 EIGB O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc2cc[nH]c12 503922 NQZODXRPVKCUGL-UHFFFAOYSA-N 339.398 4.350 50 40 EIGB COc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1 72777317 PCSODFITUXEUKV-OAHLLOKOSA-N 325.499 4.026 50 40 EIGB biogenic CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1 408600718 FLPUKMIDYZJWAB-XOAFGZPJSA-N 326.440 4.220 50 40 EIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C 409065711 IYIRAICIMFYMQT-DHDCSXOGSA-N 327.815 4.324 50 40 EIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 4827790 UJNDUELZOAKCQK-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB C/C(=N\NC(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl 5446397 XIAGRRKSUQCTRS-VXLYETTFSA-N 328.243 4.349 50 40 EIGB COC1[C@@H](Cl)CC(/C(=C\C2CCCCC2)C(=O)O)C[C@@H]1Cl 5707451 IWQCZEOMZYPGLI-OMQLLVCSSA-N 335.271 4.218 50 40 EIGB C#CCn1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)c2ccccc21 409364792 PJTSHQNDUJRAJR-YBEGLDIGSA-N 326.355 4.067 50 40 EIGB C=CCOc1ccc(C(=O)N/N=C/c2c(C)c(C)cc(C)c2C)cc1 2750538 DGENWAASFXOKMD-LPYMAVHISA-N 336.435 4.249 50 40 EIGB COCCCn1c(CCl)cs/c1=N\c1cccc(Cl)c1 4801708 VGWKYSJIBOLPFG-VKAVYKQESA-N 331.268 4.211 50 40 EIGB Cc1cccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1 16348927 PERDKSGDZCNXSI-XDHOZWIPSA-N 332.856 4.281 50 40 EIGB CCOc1cc(C=C(C#N)C#N)ccc1OCCOc1ccccc1C 4600592 BIXBTUCBDVNPFM-UHFFFAOYSA-N 348.402 4.282 50 40 EIGB C[C@H](Sc1ccccc1)C(=O)N/N=C1\CCCC[C@H]1CCC#N 5362331 CTQXXWRTJKPEEY-MBNPTUNVSA-N 329.469 4.133 50 40 EIGB CC(=O)Nc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 13554872 QPWNDIYQGRCEKP-MHWRWJLKSA-N 330.391 4.202 50 40 EIGB CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/C=C/c1ccccc1 20312737 BLRIYSJYTYAJBN-XJYRWHQTSA-N 342.826 4.313 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)co2)cc1 58016276 AOVJVDCJXHMCSX-GHXNOFRVSA-N 345.196 4.150 50 40 EIGB CCOc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1OC 96130167 YXUDICPBZYFGGI-NTEUORMPSA-N 327.405 4.254 50 40 EIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1 448573 HNGWZGJBJQAMJK-FYJGNVAPSA-N 335.407 4.013 50 40 EIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1 5130783 QFIVLDNJFXXQEU-JUICJWRVSA-N 336.357 4.307 50 40 EIGB COc1ccc([C@H]2C(C#N)=C(C)N=C3C2=C(O)c2ccccc23)cc1 101623177 LIXULFRCSDQOQQ-SFHVURJKSA-N 328.371 4.362 50 40 EIGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(C)c2)o1 252492432 MMBUFNYIACSXAZ-WQLSENKSSA-N 346.180 4.098 50 40 EIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409120560 UGSBIACXHPQPCW-OOWUWCJESA-N 342.464 4.025 50 40 EIGB CC(C)(CCl)C(=O)Nc1cccnc1Oc1ccc(F)cc1F 2152108 JJQPSZVGDNTURZ-UHFFFAOYSA-N 340.757 4.356 50 40 EIGB N#C/C(=C\Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2o1 5379957 ICSBOSAVTVMKCK-MDZDMXLPSA-N 340.726 4.366 50 40 EIGB O=C(CCl)Nc1nc2ccc(OCc3ccccc3)cc2s1 20131825 RECLMDXFNMVTON-UHFFFAOYSA-N 332.812 4.053 50 40 EIGB COc1cc(/C=C(\C#N)c2ccc3ccccc3n2)cc(OC)c1O 53108010 LTCHWMONNDOCRI-OQLLNIDSSA-N 332.359 4.022 50 40 EIGB N#CC(C#N)=Cc1cn(CCOc2ccccc2F)c2ccccc12 123547 IJLLFEXGKDKZIM-UHFFFAOYSA-N 331.350 4.290 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 189737 INEPHMLEOGBXJO-UKTHLTGXSA-N 346.308 4.260 50 40 EIGB O=C(COc1ccccc1Cl)N/N=C/C=C/c1ccccc1Cl 3141934 CPPGTXFDJBFMIN-YVUBOPQPSA-N 349.217 4.188 50 40 EIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 6209337 YPHMSLLFVDWCFU-MDWZMJQESA-N 346.308 4.260 50 40 EIGB Cc1cccc(Cl)c1OCc1ccc(C(=O)NN=C2CCCC2)o1 6924917 LNMABBICUPCLHM-UHFFFAOYSA-N 346.814 4.480 50 40 EIGB O=C(CCl)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442850 GKOQZNPVANNVBT-UHFFFAOYSA-N 326.787 4.249 50 40 EIGB O=C(Nc1c(F)cccc1F)[C@H](Br)c1ccccc1 162859 NOVZZXDBBHMTTH-GFCCVEGCSA-N 326.140 4.040 50 40 EIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(C)s2)cc1 1320208 IYQISXYUIPULCV-MDBUFAAASA-N 330.453 4.099 50 40 EIGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 13477114 BWWCQRKPMZZLQX-CPNJWEJPSA-N 332.856 4.114 50 40 EIGB CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C)(C(F)(F)F)CC1 204479293 DBXGNZLSCFHGOF-UHFFFAOYSA-N 341.446 4.170 50 40 EIGB CCOC(=O)c1cccc(C(=O)CCCCCBr)c1 575362396 YOULVZMIXCQKEL-UHFFFAOYSA-N 327.218 4.001 50 40 EIGB O=C(N/N=C/c1cccc(O)c1)c1cc2c(ccc3ccccc32)o1 567181 GBILVGHALXMYQH-CIAFOILYSA-N 330.343 4.056 50 40 EIGB CN(C)C(/C=C/Nc1cc(C(F)(F)F)ccc1Cl)=C(C#N)C#N 5524754 GCTOQRWYWXNMBK-AATRIKPKSA-N 340.736 4.147 50 40 EIGB COc1ccc(C(=O)SSC(=O)c2ccc(OC)cc2)cc1 6484214 GUFGNMICNIJBSE-UHFFFAOYSA-N 334.418 4.066 50 40 EIGB CC/C(=N\NC(=O)c1cccc(O)c1)C12CC3CC(CC(C3)C1)C2 20551578 BNSOIGKUXYEZJH-DYTRJAOYSA-N 326.440 4.104 50 40 EIGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1O 408598695 IPGNSQKEAANKJG-UKTHLTGXSA-N 337.404 4.324 50 40 EIGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccccc1Br 409000372 XZKJHQAFDAQSQH-UHFFFAOYSA-N 326.197 4.287 50 40 EIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Cl 409013279 MPTJSSIBEMTOOU-CNRHGSOZSA-N 344.842 4.210 50 40 EIGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1 409190522 YTJJWOYXACJLMD-WSDLNYQXSA-N 349.777 4.236 50 40 EIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(Cl)cc1 494818 IZKNALYUKLAFBX-INIZCTEOSA-N 333.778 4.106 50 40 EIGB C[Si](C)(CCl)N([Si](C)(C)CCl)[Si](C)(C)CCl 195765672 MAUQMQPZWMKNDT-UHFFFAOYSA-N 336.915 4.238 50 40 EIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)COc1ccccc1C 409185307 WPLDTGBITPMSRK-OQKWZONESA-N 338.451 4.234 50 40 EIGB O=C(Nc1c(F)cccc1F)[C@@H](Br)c1ccccc1 162858 NOVZZXDBBHMTTH-LBPRGKRZSA-N 326.140 4.040 50 40 EIGB O=C(CSCc1c(Cl)cccc1Cl)NN=C1CCCC1 5868686 OETDDENMVHRYFT-UHFFFAOYSA-N 331.268 4.273 50 40 EIGB COc1ccc(/C(C)=N/NC(=O)c2ccc3ccccc3c2)c(OC)c1 408599695 YQTUMIOMWSZNQG-HYARGMPZSA-N 348.402 4.011 50 40 EIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)c1 408889877 KHVPPUSRGONWPE-RIYZIHGNSA-N 326.783 4.208 50 40 EIGB C[C@]1(CCBr)C(=O)N(c2ccccc2)c2ccccc21 336584 JVPAXPKJDROZCS-QGZVFWFLSA-N 330.225 4.408 50 40 EIGB C/C(=N\NC(=O)c1ccccc1O)C(c1ccccc1)c1ccccc1 7950456 YBJGIGLYQRCXQA-XQNSMLJCSA-N 344.414 4.330 50 40 EIGB CCO[C@H]1C[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl 227002713 SLTXLYZUZLOALQ-RULNZFCNSA-N 334.634 4.334 50 40 EIGB S=C=Nc1ccc(-c2nnc(SCc3ccncc3)o2)cc1 88512 QYLFGBIQUZWVOK-UHFFFAOYSA-N 326.406 4.158 50 40 EIGB O=C(CCCCl)Nc1nc2ccc(N3CCCCC3)cc2s1 20133650 PCAJFHMUCJRXJG-UHFFFAOYSA-N 337.876 4.244 50 40 EIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1 38372873 HUCKKKAYRZOXKQ-JCMHNJIXSA-N 332.403 4.393 50 40 EIGB N#C/C(=C\[C@H]1CC[C@H](Cl)[C@H](Cl)C1)C1CCC([N+](=O)[O-])CC1 104159683 YXMOBOKLNGJUAP-NXMPSDNDSA-N 331.243 4.287 50 40 EIGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\C=C\c2ccco2)cc1 5284332 RXKHWNZQQKYXPG-HGZXBUEQSA-N 336.435 4.496 50 40 EIGB Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1C 44024850 HBPWYVXITGRCSP-LICLKQGHSA-N 331.824 4.295 50 40 EIGB Cc1cccc(NC(=O)N/N=C\c2ccc(N3CCCCC3)cc2)c1 408960679 NREIMWMVOYEHAD-QNGOZBTKSA-N 336.439 4.141 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1Br 1093703 ADTZKLYJZUMWRA-KBGIYDCGSA-N 349.272 4.034 50 40 EIGB C[C@@H](Cl)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 3887978 SPJDINVVWPJKHO-LLVKDONJSA-N 330.840 4.453 50 40 EIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2cc(F)ccc12 40139938 QPVLWFAQUNHOCY-KPKJPENVSA-N 335.294 4.005 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1 408810899 LMRSOCLEKHTYLN-LFIBNONCSA-N 341.794 4.389 50 40 EIGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1cccs1 408829620 LLACGMBORGEAPM-GZTJUZNOSA-N 338.885 4.175 50 40 EIGB N#C/C(=C/c1c(F)cccc1Cl)C(=O)NCCCc1ccccc1 409228579 ZLWPLYYOSPVLTF-QINSGFPZSA-N 342.801 4.135 50 40 EIGB Cc1ccc(CNC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1 6211839 AXMIPDXGHZMABP-BOPFTXTBSA-N 329.403 4.008 50 40 EIGB CCCCCCSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 9089347 WSMQLRBMRIQRPL-HNNXBMFYSA-N 332.444 4.478 50 40 EIGB O=C(CSCc1ccccc1)N/N=C/c1cccc2ccccc12 20248357 HCKTVQJHBHXDIW-FYJGNVAPSA-N 334.444 4.223 50 40 EIGB N#C/C(=C\c1cccc2c1OCCO2)c1nc(-c2ccccn2)cs1 96310746 IYXZDFYVSXQURU-GXDHUFHOSA-N 347.399 4.040 50 40 EIGB O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc21 100160887 OOOJECGTOMCHON-UHFFFAOYSA-N 342.656 4.462 50 40 EIGB C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102380902 DRNISQFRIZSJKT-MUSSJOCASA-N 348.874 4.344 50 40 EIGB BrCCc1cc(-c2ccccc2Br)no1 237984040 RWCZTOUMVRRGSE-UHFFFAOYSA-N 331.007 4.042 50 40 EIGB in-vitro ClCCN(CCCl)CCOc1ccc(Cl)cc1Cl 1684841 LPYGKAVLPQQHIK-UHFFFAOYSA-N 331.070 4.152 50 40 EIGB N#C/C(=C1/Nc2ccccc2S1)S(=O)(=O)c1ccc(Cl)cc1 103766019 PJOUJEARAAUAIJ-CCEZHUSRSA-N 348.836 4.024 50 40 EIGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1C 5509522 XSZFJPWOCQTYEO-YISDCSOZSA-N 334.419 4.136 50 40 EIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1 409000917 YZYAOOXWEXQQMO-CIAFOILYSA-N 335.407 4.068 50 40 EIGB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CCCl 8981611 RYLAHDPEPLYKDR-UHFFFAOYSA-N 343.857 4.221 50 40 EIGB CCOc1ccccc1/C=C/C(=O)c1ccc(O)c(CCCl)c1 12977964 APNYADGCSADZOS-VQHVLOKHSA-N 330.811 4.468 50 40 EIGB O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 32223233 GLYJDLZIMMXLIQ-UCQKPKSFSA-N 348.377 4.169 50 40 EIGB C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccccc3)c2C#N)C1 947388 LDJYAOXOWWRLOS-QQFZQELXSA-N 347.443 4.290 50 40 EIGB CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)NN=C1CCCC[C@H]1C 5728126 PMKUZKGORSUFBG-WBMJQRKESA-N 344.484 4.116 50 40 EIGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccccc3[N+](=O)[O-])c12 97152338 NTZYURWSDLRIMM-ZROIWOOFSA-N 331.331 4.174 50 40 EIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cccc2ncccc12 3227492 LSOPAXYCSBMUFR-SDNWHVSQSA-N 338.370 4.262 50 40 EIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1 3261806 QFIVLDNJFXXQEU-FWIJXGJZSA-N 336.357 4.307 50 40 EIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1Cl 409013353 NBLWNCCQQNPVDT-OVMKCGGTSA-N 348.805 4.420 50 40 EIGB O=C(CCl)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1 2584385 MOKMMRCHXBKBKX-UHFFFAOYSA-N 339.778 4.236 50 40 EIGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]1c1ccccc1 3098605 HSFJSDYIVNHJQH-SFTDATJTSA-N 340.426 4.359 50 40 EIGB CCCCC(=O)N/N=C(/C)c1ccc(NC(=O)c2cccs2)cc1 5457441 PEWJDTDIOZLJFN-MOSHPQCFSA-N 343.452 4.031 50 40 EIGB CCOC(=O)c1ccc(C(=O)CCCCCBr)s1 575362052 XMFGBDHWLDXILB-UHFFFAOYSA-N 333.247 4.063 50 40 EIGB O=C(Cl)OCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083809823 PHODVNGBZOMHCX-UHFFFAOYSA-N 326.542 4.425 50 40 EIGB COc1ccc(C(=O)N/N=C(/C)C23CC4CC(CC(C4)C2)C3)cc1 5620712 UNHNWVZXLBBEDD-BKUYFWCQSA-N 326.440 4.017 50 40 EIGB CCCOc1ccccc1/C=C/C(=O)Oc1ccc([N+](=O)[O-])cc1 101765731 KVWPBJSJDGUTOJ-KPKJPENVSA-N 327.336 4.002 50 40 EIGB Cc1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1C 408567430 NGRMCRUYVBUEPC-KEBDBYFISA-N 335.234 4.303 50 40 EIGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 4699458 KNAKIZXSQICCRW-UHFFFAOYSA-N 344.242 4.004 50 40 EIGB CCCCc1[nH]nc2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 8382703 OAZBAABHCIHASN-GOSISDBHSA-N 344.418 4.124 50 40 EIGB COc1ccc(/C(C)=N/NC(=O)CCSc2ccc(C)cc2)cc1 33045841 LGTLHTWXPPPEBS-HMMYKYKNSA-N 342.464 4.026 50 40 EIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(OC)cc1 38633532 MAPJNFAVSAZSCD-HMAPJEAMSA-N 348.402 4.011 50 40 EIGB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Cl)C(=O)c1ccccc1 100746115 ISTSVXFFTHELRX-CYBMUJFWSA-N 342.609 4.422 50 40 EIGB CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 239351 AZDQMWIUOSANOP-CIAFOILYSA-N 344.842 4.167 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1)c1ccccc1 3261447 PIBJZWJVZVEMMJ-RKPNYOAGSA-N 344.336 4.490 50 40 EIGB CCN(CC)c1ccc(C(=O)N/N=C(/C)c2ccc(Cl)s2)cc1 6418028 FMFLKXPLPOGUGA-UNOMPAQXSA-N 349.887 4.402 50 40 EIGB COc1ccccc1CC(=O)NN(c1ccccc1)c1ccccc1 7771903 KIMANGIRRSLSHX-UHFFFAOYSA-N 332.403 4.107 50 40 EIGB CN1/C(=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)Nc2ccccc21 11617384 JGDGEXROCHDYBK-GHRIWEEISA-N 343.308 4.185 50 40 EIGB N#C/C(=C/c1ccc(I)cc1)c1ccccc1F 108982108 ZFIJIUYXAIMBEH-XFXZXTDPSA-N 349.146 4.494 50 40 EIGB Cc1ccc(Cn2cc(/C=C(/C#N)C(N)=S)c3ccccc32)cc1 408544320 VLHFTQYHGIRAQJ-YBEGLDIGSA-N 331.444 4.191 50 40 EIGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(O)cc1 408797239 QNJZCFQTONMERN-SDNWHVSQSA-N 348.333 4.337 50 40 EIGB C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 2530858 OHSGRNICLMHCBO-GSVOUGTGSA-N 338.004 4.033 50 40 EIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(F)F 4629483 PJJXBNYLXDNWFI-XYOKQWHBSA-N 341.317 4.237 50 40 EIGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccccc1 408772007 KRJQORAIYCPACK-STZFKDTASA-N 332.407 4.250 50 40 EIGB C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)s1 4113765 MKFPUCBYRHHOGV-GRSHGNNSSA-N 344.823 4.414 50 40 EIGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2c1 4587711 NLGCAEQYSJJAMV-ZWFPEHDYSA-N 328.415 4.484 50 40 EIGB O=C(CCl)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882144 LCLKKTMYLZKKJT-UHFFFAOYSA-N 332.812 4.175 50 40 EIGB Cc1cc(C)c(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 32194090 DWQKRJCQIYKISS-YVNNLAQVSA-N 334.341 4.395 50 40 EIGB N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)c1ccccc1F 53106586 QOCOXZPKLKHNDF-YBEGLDIGSA-N 329.334 4.073 50 40 EIGB Cc1ccc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)c1 3380797 BXWSULLEVXWUIN-AYPRBGQRSA-N 326.465 4.254 50 40 EIGB N#C/C(=C/c1cccn1-c1ccccc1F)c1ccc(C(=O)O)cc1 6045486 ABOYXCOMGGASGM-VBKFSLOCSA-N 332.334 4.379 50 40 EIGB O=c1oc2cc(OCCBr)ccc2cc1-c1ccccc1 6759743 AVYHDOONKVWJOL-UHFFFAOYSA-N 345.192 4.234 50 40 EIGB biogenic COc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1OC 14862526 SHPGISPJSAMPLB-UHFFFAOYSA-N 348.402 4.187 50 40 EIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1C 239331 KNYGBLFDQPWZGP-LPYMAVHISA-N 338.451 4.130 50 40 EIGB COc1ccc2[nH]c(/C(C#N)=C/c3ccc(N4CCCCC4)o3)nc2c1 9263649 PPACYQIHJQHDRN-SDNWHVSQSA-N 348.406 4.219 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1 5597922 BVJFASIEAHCAPV-ACCUITESSA-N 343.814 4.325 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 408788859 MQCCBMVDUKSNSC-RVDMUPIBSA-N 338.794 4.450 50 40 EIGB COc1cccc(C(=O)/C(C#N)=C/c2ccc(Br)cc2)c1 5127772 PXZQJUJPOXXNPQ-NTEUORMPSA-N 342.192 4.248 50 40 EIGB CC[C@H](C)c1ccc(-c2csc(N/C(C)=C(/C#N)C(N)=O)n2)cc1 7779479 UERJGGZYIKIVKA-HTEPKEGRSA-N 340.452 4.018 50 40 EIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1 20197846 ONJLYKZIBRJFRR-RCCKNPSSSA-N 340.423 4.028 50 40 EIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1c(F)cccc1Cl 58915774 ATQTXENFVVYPHY-VSMYLPJWSA-N 336.819 4.110 50 40 EIGB O=C(CCCC[C@@H]1CCSS1)Nc1cccc(-c2nc[nH]n2)c1 79488575 WKEYSCFOWSINOC-CQSZACIVSA-N 348.497 4.124 50 40 EIGB O=C(CBr)c1ccc(Br)c(C(F)(F)F)c1 96373504 HTCQEBPXDKYBHT-UHFFFAOYSA-N 345.940 4.046 50 40 EIGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc(N)c2ccccc2n1 97046313 LZMPESUIKRJIDR-XFXZXTDPSA-N 340.308 4.295 50 40 EIGB N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 208350375 WPNATSJJMILHEJ-XFFZJAGNSA-N 333.174 4.245 50 40 EIGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(O)cc1 83945 GCLRZQQIFDWSQA-OEAKJJBVSA-N 340.382 4.463 50 40 EIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 3229425 BCJJFNVEAGOXQU-SSDVNMTOSA-N 343.308 4.018 50 40 EIGB O=C1c2cc3c(nc2N[C@H](Cl)N1c1ccc(Cl)cc1)CCCC3 28286477 IKPAPFDHFLXYMO-KRWDZBQOSA-N 348.233 4.209 50 40 EIGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc(O)cc1 408720101 SBAJFYIXKLBKCP-XDHOZWIPSA-N 348.855 4.068 50 40 EIGB Cc1ccn2c(C(=O)NN=C3CCC(C(C)(C)C)CC3)c(C)nc2c1 408980086 UNZCSGMZPVBCFK-UHFFFAOYSA-N 340.471 4.273 50 40 EIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccc1Cl 31149 JKCBNFQIKDHTRZ-WSDLNYQXSA-N 337.810 4.055 50 40 EIGB O=C(CCl)Nc1oc2ccccc2c(=O)c1-c1ccccc1Cl 3186938 QTKPCSRPZGLTBQ-UHFFFAOYSA-N 348.185 4.291 50 40 EIGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 6412871 BIEUEUWROBEBOI-GDNBJRDFSA-N 342.345 4.451 50 40 EIGB COc1cccc(C(=O)/C(C#N)=C/c2ccccc2OC(F)F)c1 13135314 HFKZPUZLCWPMJS-NTEUORMPSA-N 329.302 4.086 50 40 EIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Cl)cc2)C1 17859699 AFIIKXHKEKRZHL-SHUBJWRZSA-N 332.831 4.123 50 40 EIGB CC(=O)Nc1ccccc1SSc1ccccc1NC(C)=O 3199744 MFXYHRRPXLOFRZ-UHFFFAOYSA-N 332.450 4.403 50 40 EIGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc([N+](=O)[O-])ccc3Cl)nc2c1 33409039 DYHKGROGHPFQAY-GHXNOFRVSA-N 338.754 4.497 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1 59133265 ILQPBJLPUOZDPC-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB CC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)c1ccccc1Br)C2 100868676 GSFCHKIKFJHWSE-OHZJUNCBSA-N 349.272 4.381 50 40 EIGB CC(C)Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)c(O)c1 408588245 IONYUKPXGGHJJO-LPYMAVHISA-N 348.402 4.097 50 40 EIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@]21C 408948685 DBTMOXYZJDVQJT-HMUFYHRRSA-N 334.847 4.015 50 40 EIGB Cc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(C)o1 3168843 ORGKAACKHULFHQ-CIAFOILYSA-N 335.407 4.068 50 40 EIGB COc1ccccc1/C=C/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1 5788694 QSRLZWGLQVCGBJ-QRBIXOFHSA-N 332.403 4.036 50 40 EIGB Cc1cc(Br)c(C)c2sc(NC(=O)[C@H](C)Cl)nc12 20131892 WNTRIMCMGSQNBE-ZETCQYMHSA-N 347.665 4.241 50 40 EIGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1cccc2ccccc12 39314613 XTVSVRXTUULFNM-UCQKPKSFSA-N 340.382 4.463 50 40 EIGB N#C/C(=C\c1ccc(-n2cncn2)c(F)c1)c1ccc2ccccc2n1 43240637 HRICPUCJBQIADJ-CXUHLZMHSA-N 341.349 4.019 50 40 EIGB O=C(c1ccc(OCCN2CCCC2)cc1)[C@@H](Cl)c1ccccc1 575358985 LGSZSTHYVOKWCI-IBGZPJMESA-N 343.854 4.324 50 40 EIGB COc1cccc(OC)c1OCc1cc(C=C(C#N)C#N)c(C)cc1C 135426 NJFZHKCXPIBVOW-UHFFFAOYSA-N 348.402 4.330 50 40 EIGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 502573 KRAHEXHNBPIOHX-OAHLLOKOSA-N 349.371 4.028 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(OC)c1 5070421 ULWCKPMJWHNQQW-OVCLIPMQSA-N 346.386 4.283 50 40 EIGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 5370265 YIPJVMSBRBFCBM-DEDYPNTBSA-N 339.395 4.046 50 40 EIGB C[C@@H]1CC=C2[C@@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 19853296 LTBLKVQJWVATAB-RVZJWNSFSA-N 348.837 4.180 50 40 EIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1C 408745518 NDTFZDHROONCKM-UVTDQMKNSA-N 326.783 4.203 50 40 EIGB Cc1ccc([C@@H]2CC(=O)NC(SCCc3ccccc3)=C2C#N)cc1 382531 ZDYZFURJIXWANX-SFHVURJKSA-N 348.471 4.310 50 40 EIGB N#C/C(=C\c1c(F)cccc1N1CCCC1)c1nc2ccccc2[nH]1 6315890 ZNIDIJDMGYOJNR-WYMLVPIESA-N 332.382 4.366 50 40 EIGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1O 408541364 GBOVTSRJHIQGDU-AUWJEWJLSA-N 343.766 4.207 50 40 EIGB N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1 408725716 IYMJEZRCDMJSEP-IZZDOVSWSA-N 333.174 4.245 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1 408743545 AYOBAEQAKWYXRF-VBKFSLOCSA-N 336.391 4.030 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c2ccccc21 408870087 RTEYCDVMZMWIFZ-YHMUTIFUSA-N 349.478 4.412 50 40 EIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1Cl 409011270 GUBRPKBSQXMGAW-HMHKGCENSA-N 330.815 4.281 50 40 EIGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)c1 409371883 LWVKZOWLJXIXRJ-XSFVSMFZSA-N 346.430 4.103 50 40 EIGB CC(=O)N(c1ccc(Br)cc1)c1nc(CCl)cs1 163389 DFUXCNQLRYKMGO-UHFFFAOYSA-N 345.649 4.329 50 40 EIGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc(C)cc1 59474273 VNMSOZONAKQVLS-XSFVSMFZSA-N 346.883 4.422 50 40 EIGB CCCCCCCCCCCC(=O)N/N=C1\C(=O)Nc2ccccc21 100945879 FOOCWPXPGHFFPM-UHFFFAOYSA-N 343.471 4.380 50 40 EIGB COc1cccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1OC 408599575 WQSHQCMIWCRJFR-JLHYYAGUSA-N 337.404 4.237 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1ccccc1Cl 408856229 JJEQECGNIFJKLT-QBFSEMIESA-N 341.798 4.079 50 40 EIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1Cl 408863147 POWDNIFNUGLPRB-WSDLNYQXSA-N 334.806 4.356 50 40 EIGB Cc1ccc(C(CN)(CCBr)c2ccc(C)cc2)cc1 1654140 YITODBBRICJWAN-UHFFFAOYSA-N 332.285 4.333 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCCC)cc1 4481637 PAXXBMWZICDZIH-RCCKNPSSSA-N 340.423 4.028 50 40 EIGB C#CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC 6155499 XTJBLHSFUTYJCZ-BOPFTXTBSA-N 348.358 4.070 50 40 EIGB C[C@H](Cl)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1 20132072 LBMUVIABOPYZTC-NSHDSACASA-N 346.839 4.441 50 40 EIGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1 53102346 BYJWXJVKGAFXEE-RKPNYOAGSA-N 340.810 4.133 50 40 EIGB CC(C)(C)C1=C(C#N)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 409367694 IFCKATKFIMOMRT-LBPRGKRZSA-N 339.386 4.048 50 40 EIGB Cc1ccccc1/C=N/NC(=O)[C@@H](C)Nc1ccc2ccccc2c1 31151 DJTJGJKZVUKDOG-CAUNFOBBSA-N 331.419 4.099 50 40 EIGB CC/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(Cl)c1 4650863 JRKVEWYSWRINJS-HSLLHTKSSA-N 326.827 4.374 50 40 EIGB CC/C(=N\NC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl 15938795 SMWNDOFPWMGEEH-XMHGGMMESA-N 337.206 4.243 50 40 EIGB N#C/C(=C\S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100815678 YICHXACMFPBRLX-HEHNFIMWSA-O 346.415 4.275 50 40 EIGB C/C(=N/Nc1ccccc1)[C@H]1C[C@@H]2C=C(C#N)[C@@H]1N2Cc1ccccc1 104097311 XASIBZOKGXKXHB-UXYZJXBLSA-N 342.446 4.197 50 40 EIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2Cl)cc1 408566465 GQBFADUCPUUXNN-FYJGNVAPSA-N 328.843 4.330 50 40 EIGB CCN(CC)c1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc1 5119576 GIEDAKWBFCBJMA-UHFFFAOYSA-N 339.483 4.075 50 40 EIGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 5124866 FYCQGVUGDJXXDD-KAMYIIQDSA-N 328.799 4.375 50 40 EIGB N#C/C(=C(/N)Cc1nc2ccccc2s1)c1nc2ccccc2s1 8746518 KQXLVKGZBAZVSA-QXMHVHEDSA-N 348.456 4.342 50 40 EIGB O=C(CSc1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2 408871530 YRMFEBNJKAETIR-LPYMAVHISA-N 346.455 4.181 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCCCC3)c2C)cc1 3257049 YGSVNOSFZDVGQG-XSFVSMFZSA-N 347.462 4.322 50 40 EIGB O=C(CCl)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 38198110 SYSPYOPJPIGDEF-IJSVIJOASA-N 344.798 4.234 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)C(C)C)cc(C)c1OCc1ccccn1 97152359 QJUDNTAWQISPLS-WQRHYEAKSA-N 334.419 4.410 50 40 EIGB N#C/C(=C/c1ccccc1OCC(=O)O)c1cccc2ccccc12 409315165 ULZPNDWXKYWWRC-ATVHPVEESA-N 329.355 4.367 50 40 EIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 563877 UUNPXUHVODZWRL-VKAVYKQESA-N 349.409 4.362 50 40 EIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1 1096927 XWUACHCLHKIVOB-XDJHFCHBSA-N 345.446 4.395 50 40 EIGB ClCCN(CCCl)CCNc1ccnc2cc(Cl)ccc12 1747990 WPWQVHVBXLJKAB-UHFFFAOYSA-N 346.689 4.080 50 40 EIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 5612564 DVKIXZJTNVOQDI-RVDMUPIBSA-N 339.826 4.260 50 40 EIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F 12137238 WLHGVBLISZKGIU-UFFVCSGVSA-N 340.732 4.052 50 40 EIGB N#C/C(=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 32286345 YRDVWVSXHLETPA-LCYFTJDESA-N 329.153 4.421 50 40 EIGB CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(Br)cn1 199654085 WVTIXZIWALRKBZ-UHFFFAOYSA-N 345.357 4.302 50 40 EIGB in-vitro Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CSC#N 216858266 QULXVZHBDLMEBD-UHFFFAOYSA-N 339.445 4.425 50 40 EIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c(F)c1 408965421 HGYSFDYJBJKGIT-ZVHZXABRSA-N 343.361 4.128 50 40 EIGB CN(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 4705361 UGTUOADCUDMOQA-JXMROGBWSA-N 335.190 4.249 50 40 EIGB C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(C(C)(C)C)cc1 5695470 HLJNYYHHPBCFJM-OEAKJJBVSA-N 348.450 4.094 50 40 EIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1 408805019 IMBNGEAPXMKEMO-DYSZDHPXSA-N 340.467 4.323 50 40 EIGB Cc1ccc([C@@H](NC(=O)N2CCCCC2)C(Cl)Cl)cc1F 3205497 BBJQNOWOFWDXDM-CYBMUJFWSA-N 333.234 4.174 50 40 EIGB Cc1cc(C)c(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)c1 4499583 TZXCSUGMJYQMQS-FOKLQQMPSA-N 348.368 4.323 50 40 EIGB CSc1ccc(/C=N/NC(=O)c2cc3ccccc3nc2C)cc1 4525848 BHNPMCDTUUSMNW-UDWIEESQSA-N 335.432 4.029 50 40 EIGB C/C(=N\NC(=O)CSCc1ccccc1)c1cc(C)ccc1C 408720302 YAYYQKJWYBLWFJ-CAPFRKAQSA-N 326.465 4.077 50 40 EIGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 6468578 HOJLQUZVRZMINR-VWFYRTMBSA-N 347.418 4.095 50 40 EIGB CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 19892780 RLPLSUDVANIUMP-OAHLLOKOSA-N 330.840 4.132 50 40 EIGB Cc1cccc(OCC(=O)N/N=C/C=C/c2ccccc2Cl)c1C 3139859 NNNMIPOYOYXTGM-XZHCKZKCSA-N 342.826 4.151 50 40 EIGB CCOC(=O)N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 4893875 MXMXHQBBTPLFNB-IUXPMGMMSA-N 327.167 4.333 50 40 EIGB O=[N+]([O-])c1ccccc1S[C@H]1[C@@H](Br)[C@H]2CC[C@@H]1C2 5171205 KKOQEMZGKXRRQE-GAQJKIJGSA-N 328.231 4.249 50 40 EIGB Cc1cc(C)c(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C)c1 5538266 FPPPDLHTHCHIJX-UGVMZYNRSA-N 344.842 4.183 50 40 EIGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1O 15012127 XKGGQAUISSFBOB-XNTDXEJSSA-N 331.375 4.070 50 40 EIGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)OCC)cc1OC 27562904 YEDSUMOSFVKURB-VBKFSLOCSA-N 331.412 4.124 50 40 EIGB O=C(Nc1ccc2c(c1)CCC2)[C@@H](Br)c1ccccc1 95929087 LNDPHMMYBBCYKA-INIZCTEOSA-N 330.225 4.250 50 40 EIGB BrCCc1cc(-c2ccc(Br)cc2)no1 215636244 HXJRDWYZJHHZEQ-UHFFFAOYSA-N 331.007 4.042 50 40 EIGB in-vitro C/C(=N\NC(=O)[C@@H](C)Nc1ccc2ccccc2c1)c1ccc(C)cc1 31063 CWXRPAKIQZWFRM-MXJLDLDKSA-N 345.446 4.489 50 40 EIGB Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCl)n2)cc1 932715 CYCZSIPBODBEHT-UHFFFAOYSA-N 346.839 4.484 50 40 EIGB CC(C)/C(=N/NC(=O)c1ccccc1Br)c1ccccc1 8568347 DQVFZYFUMMKVKG-MNDPQUGUSA-N 345.240 4.239 50 40 EIGB Cc1cc(C(=O)N/N=C2/CCc3ccccc32)c(C)n1-c1ccccc1 33374741 RDBRHURSVMWIRY-LNVKXUELSA-N 343.430 4.174 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102380899 DRNISQFRIZSJKT-BYKRMJFNSA-N 348.874 4.344 50 40 EIGB N#C/C(=C\c1ccc(Sc2ccccn2)o1)C(=O)Nc1ccccc1 408993889 XVEVGCWCKSPOGH-WYMLVPIESA-N 347.399 4.371 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Nc1ccc2ccccc2c1)c1ccccc1 31077 ZJANYEFRHZDYCZ-LGVXEURYSA-N 331.419 4.181 50 40 EIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1 221810 GPLBFKFQWHNJON-MDBUFAAASA-N 332.856 4.112 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)CSCc1ccc(C)cc1 4995610 CRJHNNVOKAWBDB-HEHNFIMWSA-N 340.492 4.353 50 40 EIGB CNc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] 23217183 WLVOKSLZDGXHGN-XYOKQWHBSA-N 336.376 4.310 50 40 EIGB CCOc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1OC 44028483 KTCXYDYBARQEOF-NTEUORMPSA-N 327.405 4.254 50 40 EIGB COc1ccc([C@H]2CC(=O)N(c3ccccc3)/C(=C/C#N)S2)cc1 97015717 HXCXLGBEAASEFQ-HPKGMJOESA-N 336.416 4.271 50 40 EIGB CCN1c2ccc(/C=N\NC(=O)c3ccco3)cc2[C@H](C)CC1(C)C 208302148 TYAXSCMGBWZPLG-SFDYMUJDSA-N 339.439 4.156 50 40 EIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1 8306938 HOJLQUZVRZMINR-AZIBHNPCSA-N 347.418 4.095 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 20247990 ZWUPZLROKXNMJC-UDWIEESQSA-N 326.465 4.194 50 40 EIGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-] 33471295 VIADFHSFXPNCEA-UVTDQMKNSA-N 331.331 4.174 50 40 EIGB O=C(CN1C(=O)c2cccc3cccc1c23)NN=C1CCCCCCC1 108904670 YBPFVDGKWHSHRM-UHFFFAOYSA-N 349.434 4.017 50 40 EIGB N#CC(C(=O)c1cc(Cl)cc(Cl)c1)=C1Nc2ccccc2N1 4070516 RSHBZWQDKFHXCZ-UHFFFAOYSA-N 330.174 4.449 50 40 EIGB CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@@H]2c1cccnc1 4708482 AASLEMIVNNHZNC-SFHVURJKSA-N 345.402 4.032 50 40 EIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 12403743 BFEHAVQVAAZOHF-VXLYETTFSA-N 337.206 4.156 50 40 EIGB CCC/C(=N\NC(=O)c1cccc(Br)c1)c1ccccc1 12403849 KREYDNIKTGTGFL-KNTRCKAVSA-N 345.240 4.383 50 40 EIGB N#C/C(=C/c1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)cc1 38534904 JISJVFUFOVUYCO-PTNGSMBKSA-N 349.821 4.234 50 40 EIGB CCO[Si](CCCCCCCCCCN=C=O)(OCC)OCC 196280096 OGYUGOYDUYGVFP-UHFFFAOYSA-N 345.556 4.491 50 40 EIGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 408861119 NLVHUISZDHIHPU-UDWIEESQSA-N 342.464 4.025 50 40 EIGB N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1F 3361372 BOTQXOFOQBYLDN-XFXZXTDPSA-N 334.272 4.390 50 40 EIGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccccc2F)cc1 28632360 KHSLRAOAJKVFBL-LKVJPFRKSA-N 338.426 4.377 50 40 EIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1Cl 100195365 OOPSIAFRQFIOLV-QPEQYQDCSA-N 332.794 4.349 50 40 EIGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 108061710 HVXMSRACUYIXIF-DEDYPNTBSA-N 339.395 4.046 50 40 EIGB N#C/C(=C\c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1 408735514 TXURUNITQDQWKX-IZZDOVSWSA-N 333.174 4.245 50 40 EIGB N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 2886651 VUYXVKYFPSTYEG-SDXDJHTJSA-N 331.419 4.223 50 40 EIGB CCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 26688206 RVUJJWRBUSCFSB-XFXZXTDPSA-N 334.297 4.008 50 40 EIGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(F)ccc2F)c(C)c1 40139615 MJFAIOAIXJWPON-OVCLIPMQSA-N 326.346 4.436 50 40 EIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 140309 JMESLIHZAMZKFN-SAPNQHFASA-N 349.434 4.087 50 40 EIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 485105 LPNNKIADMGIUES-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB O=C(N/N=C/c1cccs1)c1cc2cc(Br)ccc2o1 566202 FEVODYPKNPYQOH-LZYBPNLTSA-N 349.209 4.021 50 40 EIGB N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 6244059 QMUWHEVAYFBEMU-WJDWOHSUSA-N 343.342 4.294 50 40 EIGB CCCCCCSC1=C(C#N)[C@H](c2ccccc2OC)CC(=O)N1 8973196 ATTPHGVWBIZXOE-HNNXBMFYSA-N 344.480 4.347 50 40 EIGB COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1O 409362283 ITWNZLFFWFGSKT-QPEQYQDCSA-N 330.181 4.227 50 40 EIGB CC1=Nc2ccccc2N=C(NC(=O)[C@@H](C)Cl)[C@H]1c1ccccc1 6248309 NQXIUQUINBVQDZ-SJKOYZFVSA-N 339.826 4.350 50 40 EIGB CN1/C(=C(\C#N)C(=O)c2ccc(Cl)cc2Cl)Nc2ccccc21 11617375 YQSIGAROXXRFMS-SFQUDFHCSA-N 344.201 4.473 50 40 EIGB Cn1c(SCCCCl)nnc1-c1cccc(C(F)(F)F)c1 228977311 UFFIDBMXDZJMHA-UHFFFAOYSA-N 335.782 4.222 50 40 EIGB Cc1cc(N2C(=O)CS/C2=C(/C#N)C(=O)C(C)(C)C)ccc1Cl 3280838 XKMSHGSRQJVYMO-VBKFSLOCSA-N 348.855 4.079 50 40 EIGB CCOc1cc2c(cc1/C=C(/C#N)c1nc3ccc(C)cc3[nH]1)OCO2 33760086 VGRQYDFKFONYJD-AUWJEWJLSA-N 347.374 4.063 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2)c1 211485763 PVVRJNMDUWXVLL-ZROIWOOFSA-N 341.208 4.303 50 40 EIGB O=C(N/N=C/c1ccccc1O)c1cc2c(ccc3ccccc32)o1 1011001 XXVMDCDRDHZSOJ-CIAFOILYSA-N 330.343 4.056 50 40 EIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1 5379910 UDMOEBSIKIYDOS-VCHYOVAHSA-N 349.228 4.104 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1 6956917 RZEHCPQNZXBHIC-NBVRZTHBSA-N 332.403 4.359 50 40 EIGB CC(C)(C)C1=CC(=NNC(=O)c2ccccc2)C=C(C(C)(C)C)C1=O 13895866 LJSCPVBDGOFMAT-UHFFFAOYSA-N 338.451 4.300 50 40 EIGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(Cl)cc1Cl 16606271 BXDUFOVLBLHOAX-ISSKPDIESA-N 325.239 4.270 50 40 EIGB N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccncc1 63111081 NVNZCXKWVLHDQB-QGZVFWFLSA-N 333.778 4.106 50 40 EIGB O=C(N/N=C/c1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 408965221 UTLMOFMTQPCBJR-ODCIPOBUSA-N 344.695 4.262 50 40 EIGB CCOc1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)ccc1O 12782368 QVUYEBJOLOHJEW-KPKJPENVSA-N 334.297 4.269 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCC3)c2C)cc1 409196135 ZCKGJKDOFRBUAJ-CPNJWEJPSA-N 347.462 4.368 50 40 EIGB N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2o1 5338256 ZBZURBOTWCWCTA-KTKRTIGZSA-N 340.726 4.366 50 40 EIGB COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)c1OC 7212235 IVMCFYAFJSWOKZ-LFIBNONCSA-N 347.374 4.126 50 40 EIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C 59334457 FGAMPJIUAJXYNB-SXGWCWSVSA-N 341.842 4.051 50 40 EIGB COc1cc2c(cc1NC(=O)N(CCCl)N=O)-c1ccccc1C2 5080402 AMVVNLIBDNUXKQ-UHFFFAOYSA-N 345.786 4.021 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 15220529 ODTYFFMERCGZIH-KAMYIIQDSA-N 326.783 4.284 50 40 EIGB COc1ccc(CSCC(=O)NN=C2CCCCCCC2)cc1 408870110 UZYDKAWMVXGVPB-UHFFFAOYSA-N 334.485 4.145 50 40 EIGB Cc1cc(C)nc(NNC(=O)c2oc3c(ccc4ccccc43)c2C)n1 11333517 WGDFTYISCURGQH-UHFFFAOYSA-N 346.390 4.058 50 40 EIGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)o1 13810229 JBPDMIDOGRGRBM-VBKFSLOCSA-N 331.375 4.044 50 40 EIGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc2ccccc2cc1O 33784127 HKQSMGGHKSUCCE-JWMLFYRCSA-N 330.387 4.365 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)c1C 59137997 SZDLVOLACWVKOG-GHRIWEEISA-N 349.434 4.432 50 40 EIGB COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1 63412590 CLHMVPYYDULEIV-MHWRWJLKSA-N 347.399 4.056 50 40 EIGB C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)C12CC3CC(CC(C3)C1)C2 4714811 ZJYLKCQVHRUXAB-CIAFOILYSA-N 342.487 4.029 50 40 EIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)s1 11266445 SSBDYOIZFPETBF-FRKPEAEDSA-N 345.276 4.297 50 40 EIGB CC(=O)Nc1ccc(/C(C#N)=C\c2ccc(N(C)CCC#N)cc2)cc1 17023403 RLWHUNLBCBXSCA-RGEXLXHISA-N 344.418 4.059 50 40 EIGB Cl[C@@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1 19802105 BBLSIBKHJHRCHM-FQEVSTJZSA-N 328.887 4.174 50 40 EIGB CC(C)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 59436989 RDRWGSSCSLRPPO-RGVLZGJSSA-N 330.815 4.139 50 40 EIGB CCc1ccc(-c2nc3ccc(NC(=O)CSC#N)cc3o2)cc1 216857146 IRNHKSAOAHLPMY-UHFFFAOYSA-N 337.404 4.210 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)c2cccc(C)c2)c2ccccc21 409268266 YSOINVBKPKFATO-HYARGMPZSA-N 331.419 4.208 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2769333 YHDWIXABXORDPD-FABDANFUSA-N 347.462 4.317 50 40 EIGB Cn1c(/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21 33471256 JWIKJFTVEVVRNM-WQLSENKSSA-N 338.754 4.199 50 40 EIGB C=CCOc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1 408599665 YGCNUBVARKMXDQ-PXLXIMEGSA-N 330.387 4.169 50 40 EIGB CC(C)(C)C1=C(C#N)[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O1 1004512 DMRGQIWDDSAEDX-ZDUSSCGKSA-N 331.778 4.111 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Br)s1 4704999 ZPURIMFBSXFTQN-DHZHZOJOSA-N 347.237 4.365 50 40 EIGB CC(=C(C#N)C#N)c1cc(-c2ccccc2)c(N2CCOCC2)s1 16138555 WYKGMEIECMRKGQ-UHFFFAOYSA-N 335.432 4.072 50 40 EIGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c2cc(F)ccc12 40139941 FMLMJNLZZPKBRD-SDQBBNPISA-N 335.294 4.005 50 40 EIGB CCCOc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1OCC 136957167 SDYAISHJAOHOOJ-ZHZULCJRSA-N 341.411 4.030 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(Cl)cc1 408782632 XWLUKHGMEOKXAQ-KZKLBEMASA-N 332.856 4.361 50 40 EIGB CC(C)(C)c1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2)cc1 5383860 QBEHVFVVZMPVOP-UHFFFAOYSA-N 345.830 4.104 50 40 EIGB N#CC1=C(NC(=O)N2CCCCC2)c2ccccc2CC12CCCC2 27534260 WFBOCFMBOAKBQZ-UHFFFAOYSA-N 335.451 4.233 50 40 EIGB C[C@@H]1CC[C@@H](C(=O)O[Si](C)(C)C)/C(=C(\C#N)O[Si](C)(C)C)C1 255190410 XCJIILCOJXPBCB-QWBYSSASSA-N 339.584 4.430 50 40 EIGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409236132 DJMNJPQJUDDSMJ-HKWRFOASSA-N 348.446 4.130 50 40 EIGB Cc1onc(-c2c(Cl)cccc2Cl)c1COC(=O)CCl 162931 HMVHABMSZMONBN-UHFFFAOYSA-N 334.586 4.239 50 40 EIGB Cc1ccc(-c2cc(NC(=O)CCl)n(-c3ccccc3)n2)cc1 3337391 RFGPJLHZNCTJPI-UHFFFAOYSA-N 325.799 4.025 50 40 EIGB CCCC[C@H](Br)C(=O)Nc1nc2c(F)cccc2s1 20133117 OFWCECVQWIMNCU-QMMMGPOBSA-N 345.237 4.328 50 40 EIGB O=C(Cc1ccccc1)N/N=C/c1ccc(Sc2ccccc2)o1 408999784 XRYBRRMSXWWHJZ-XSFVSMFZSA-N 336.416 4.124 50 40 EIGB Cc1c(C(=O)NN=C2CCC(C(C)(C)C)CC2)cccc1[N+](=O)[O-] 382266 JQCVRTVKXFIICV-UHFFFAOYSA-N 331.416 4.225 50 40 EIGB CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 6948241 CNMQESHZMSKJRV-RGVLZGJSSA-N 325.799 4.079 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 6999051 IULPEZMDZCGUBE-BXYGHZCVSA-N 328.456 4.142 50 40 EIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccccc1F 33623406 WCRBMYWIFOZSLU-QINSGFPZSA-N 332.334 4.379 50 40 EIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC 408744787 MYUVGXCLTLNRKX-AQTBWJFISA-N 332.403 4.278 50 40 EIGB Cc1ccc(/C=C(/C#N)c2ccc(I)cc2)o1 409368435 VTSNWJBAKBUOBU-WQLSENKSSA-N 335.144 4.257 50 40 EIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Cl 112741 QAGUGEICQCRPCX-CIAFOILYSA-N 338.794 4.266 50 40 EIGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccncc1 12363749 BBQZMYJDPSZCFP-SFQUDFHCSA-N 339.402 4.430 50 40 EIGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2c(=O)[nH]1 13407999 WPSBBYBQMUDDKC-XFFZJAGNSA-N 342.185 4.294 50 40 EIGB Cc1nn(-c2nc3c(Cl)cccc3s2)c(C)c1C(=O)Cl 57351343 XDXLQILCRCOYNU-UHFFFAOYSA-N 326.208 4.131 50 40 EIGB O=S(=O)(Oc1ccccc1Cl)c1ccc(C(Cl)Cl)o1 2150472 LQTWVCYXAIRXET-UHFFFAOYSA-N 341.599 4.177 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1nc2ccccc2[nH]1 4536340 LEJZQWVQCMKETC-PTNGSMBKSA-N 332.382 4.366 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1)C12CC3CC(CC(C3)C1)C2 6763291 HRWWBERJUGVXIH-VAEAGKOVSA-N 334.463 4.315 50 40 EIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(N)cc1 12573301 OGDNPXIQRNCLSV-KEBDBYFISA-N 343.839 4.291 50 40 EIGB N#C/C(=C\c1csc2ccccc12)C(=O)c1ccc2c(c1)OCO2 84593117 YABUUNUYQLGDHO-NTUHNPAUSA-N 333.368 4.420 50 40 EIGB CC(C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 4199146 XHWZQELOBLJJKJ-LPYMAVHISA-N 348.402 4.097 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)c([N+](=O)[O-])c1 4551208 JOABIBSJKBBKLC-UKTHLTGXSA-N 341.754 4.102 50 40 EIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 6229849 QQYMYWOUNSWMJC-BOPFTXTBSA-N 349.390 4.268 50 40 EIGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1O 33563491 MJPLZCAHDWGESP-WDZFZDKYSA-N 348.171 4.367 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc1OC 40139891 DYNFRJUXNUFZKR-OQLLNIDSSA-N 346.386 4.283 50 40 EIGB COc1ccc(OC)c(/C=C(/C#N)Sc2nc3ccccc3[nH]2)c1 408598708 IZSGIWVRSSOPED-UVTDQMKNSA-N 337.404 4.237 50 40 EIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2)cc1 408772807 NERKJCGXVPZNAG-JXAWBTAJSA-N 333.435 4.387 50 40 EIGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\C=C\c2ccco2)cc1 5284336 RXKHWNZQQKYXPG-BHISAGFRSA-N 336.435 4.496 50 40 EIGB O=C(Cl)COc1ccc(Br)cc1Cc1ccccc1 57352727 DQMFDBBUGKLFCY-UHFFFAOYSA-N 339.616 4.184 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1 408920052 GQIIBLCYCMRYSN-MHWRWJLKSA-N 341.794 4.389 50 40 EIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC 408741568 JRYTXUPGSBGJPR-LGMDPLHJSA-N 348.402 4.196 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(SC)cc2)c1 408744821 HMYRBCCDUOAZAW-PTNGSMBKSA-N 338.432 4.353 50 40 EIGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1 3256532 IYCKODOTUCVJAT-WOJGMQOQSA-N 347.418 4.116 50 40 EIGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)c1ccc(C#N)cc1 12958895 DHYLTKYDXWZODT-OQLLNIDSSA-N 326.277 4.367 50 40 EIGB CC(C)c1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20791977 XDWWZPIRAZJHNT-ICSRJNTNSA-N 342.446 4.404 50 40 EIGB CC(C)(C)OC(=O)N[C@@H](CCBr)c1ccccc1F 35633052 SUWNCEQBXJGHSX-LBPRGKRZSA-N 332.213 4.177 50 40 EIGB COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OC(C)C)c1 4525089 VEALSDFLKYFMOU-WJDWOHSUSA-N 336.391 4.028 50 40 EIGB N#CC1=C(O)/C(=C/C=C/c2ccccc2)N(C(=O)c2ccccc2)C1=N 104240762 NXCRZZYJPGKHDU-NIGWXRRYSA-N 341.370 4.053 50 40 EIGB CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(OC)cc1OC 105407872 DMAWCYXRCOFYDG-LGMDPLHJSA-N 344.455 4.087 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(O)c1 566273 NBPDAHDDUHVHOV-SFQUDFHCSA-N 349.434 4.093 50 40 EIGB O=C(CCCCl)Nc1ncc(Cc2cccc(Cl)c2)s1 4510732 BVQMRTYNQNPVEQ-UHFFFAOYSA-N 329.252 4.345 50 40 EIGB C#CCn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21 4711045 WQCZKOHRUOVMAD-GHRIWEEISA-N 339.398 4.129 50 40 EIGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(Cl)cc2s1 20132587 REKWFVAOTCIFPI-MRVPVSSYSA-N 347.665 4.452 50 40 EIGB N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)NCc1ccccc1 59137637 HTNZHKDWVMAKBR-ATVHPVEESA-N 346.361 4.309 50 40 EIGB CCCCCCCCCCNCCSSCCNC(C)=O 95810906 OTHPRRZDNZEAPE-UHFFFAOYSA-N 334.595 4.234 50 40 EIGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(N)=S 408543548 PWSFPOXRBYSQEQ-NTEUORMPSA-N 328.824 4.112 50 40 EIGB CCOc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 409391973 MEUNCZAQRRYMLS-ZROIWOOFSA-N 349.390 4.043 50 40 EIGB O=C(CCCCl)Nc1nc2ccc(Br)cc2s1 4628537 DDKRGSPTAPLWRZ-UHFFFAOYSA-N 333.638 4.016 50 40 EIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1 23382659 QRGHQFWDMMYIKT-KGENOOAVSA-N 335.407 4.043 50 40 EIGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 409075332 YVYPKRHFYNAFAB-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CCCl 5437339 VLGCDWYTYKWQOQ-KEYYUXOJSA-N 337.891 4.278 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)cc1C 59145641 MIUXGQWBSMLJGB-RIYZIHGNSA-N 326.783 4.208 50 40 EIGB COc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C 408718921 VRSUZNFLHQQONU-UUSLDUOVSA-N 336.435 4.125 50 40 EIGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 2634541 FXWZGRXYOCIHAY-XDJHFCHBSA-N 332.447 4.250 50 40 EIGB O=C(N/N=C/c1cccn1-c1ccc(F)cc1)c1ccc(Cl)cc1 6971189 QQZSJOXTCWKFLC-CIAFOILYSA-N 341.773 4.034 50 40 EIGB Fc1ccc2sc(C(Br)Br)nc2c1 307485252 AJYXGCQHVOGYEF-UHFFFAOYSA-N 325.000 4.224 50 40 EIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)Nc3ccccc3)c2c1 409006729 KMDFXUJSDUELQR-BKUYFWCQSA-N 349.390 4.013 50 40 EIGB O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 4815311 NBGWSJYBQGOWTC-UHFFFAOYSA-N 341.154 4.050 50 40 EIGB C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 5288244 QCUFXEVYLFUCCK-HYARGMPZSA-N 342.414 4.042 50 40 EIGB CSc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1 58915536 BNEFYAAUDLMVSW-YBFXNURJSA-N 344.505 4.100 50 40 EIGB COc1cc(Br)cc(/C=C(\C#N)c2ccccc2)c1O 76540076 VDAYJIDUURZKBM-NTUHNPAUSA-N 330.181 4.227 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl 408773167 HEISNJHSOIXZCC-NTEUORMPSA-N 326.783 4.203 50 40 EIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)o2)c1 408852979 XWVNROVPJJUNHD-VBKFSLOCSA-N 335.407 4.042 50 40 EIGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(SC(F)F)cc1 3267515 SDHFWJLBXMXPGB-FMIVXFBMSA-N 346.358 4.253 50 40 EIGB Br[C@@H]1[C@H](Br)[C@@H]2[C@H]3C=C[C@@H](c4ccccc43)[C@@H]12 104134091 ZODXXDUTGWNXPA-DHRKEOQWSA-N 340.058 4.210 50 40 EIGB CCN(CC)c1ccc(C(=O)N/N=C2/CCCCc3ccccc32)cc1 6318366 RAZZAUOQJAOPBQ-LNVKXUELSA-N 349.478 4.393 50 40 EIGB CCOc1ccc(C(=O)N/N=C(\C)C23CC4CC(CC(C4)C2)C3)cc1 8082306 SPKYCXQPNCBMBK-HYARGMPZSA-N 340.467 4.407 50 40 EIGB C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1 15134491 MTCIIUCKROEZBG-PZPSRYQVSA-N 348.837 4.180 50 40 EIGB CC(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917370 OQUOPFMXUXPBHQ-LWCRFQLWSA-N 345.446 4.373 50 40 EIGB CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1 63412569 SJZMOUHLNIQHCU-LFIBNONCSA-N 332.432 4.335 50 40 EIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc3ccccc3c2)cc1 96669463 VRVUVKIHRLWRIE-MOSHPQCFSA-N 333.412 4.487 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C)c3)c2C)cc1 409066498 VTMQTEPUDXWWOS-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1Cl 485240 CXIFWRIELQOKGZ-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccn1 6962555 MFGKOAAIKYRICC-PDGQHHTCSA-N 344.374 4.462 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)cc1 59249268 QKKNHDGMXQSADT-PEZBUJJGSA-N 343.386 4.032 50 40 EIGB CC1=C(C#N)C(=O)O[C@@]1(C)[C@H](CC(=O)c1ccccc1)c1ccccc1 1609358 RAWPQWPJWSEZEZ-DENIHFKCSA-N 345.398 4.199 50 40 EIGB O=C(N/N=C/c1c(F)cccc1Cl)c1cccc2ccccc12 5704980 OWAMQJTXIXKKFS-SRZZPIQSSA-N 326.758 4.396 50 40 EIGB CSC1=C(C#N)[C@@H]([C@@H]2CC=CCC2)C2=C(CC(C)(C)CC2=O)N1 14671758 RQRXEIMIGGPHAM-MLGOLLRUSA-N 328.481 4.303 50 40 EIGB COc1cccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)c1 223170249 FVSCHBGGJDQUJW-PTNGSMBKSA-N 344.370 4.100 50 40 EIGB C/C=C1\C[N@@+]2(CCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14 245377504 LQDGJFHWZHMWLV-MRRVOVJZSA-O 349.498 4.172 50 40 EIGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(Cl)c3)cc2c1 409187348 PGBFJQPSHCBSSP-JAIQZWGSSA-N 342.782 4.249 50 40 EIGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2)c1 5755061 ORROXTDQHCGBBN-XDHOZWIPSA-N 334.419 4.006 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC(C)C)c2C)c(C)c1 20247451 GXGJATZYJVNJON-CIAFOILYSA-N 325.456 4.207 50 40 EIGB C=CCCCCCCCCC(=O)N/N=C\c1cccc(OC)c1OC 31723731 CSIXGILARFUQLF-PGMHBOJBSA-N 346.471 4.461 50 40 EIGB O=C(CCCC[C@H]1CCSS1)Nc1nc2c(s1)CCC2 25769391 RYGRRNZTEGMGOL-JTQLQIEISA-N 328.528 4.284 50 40 EIGB biogenic C/C(CCc1ccccc1)=N/NC(=O)CNc1cccc2ccccc12 33154855 HZUTZRIHJUKULC-ULJHMMPZSA-N 345.446 4.377 50 40 EIGB C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccccn1 38205330 FUPCGDQMVPXRPF-GRSHGNNSSA-N 329.812 4.104 50 40 EIGB N#C/C(=C/c1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 212593067 HLNMSXDRDMGHIS-WQLSENKSSA-N 334.272 4.390 50 40 EIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1 408816474 UPUKXNILWQLPIW-CXDFQFJYSA-N 334.419 4.087 50 40 EIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CC(C)C)c1C 565589 GJAYJTUOVFLIIP-CIAFOILYSA-N 325.456 4.207 50 40 EIGB Cc1cccc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)c1 4478131 GUKVNFCMTAHFQU-LFIBNONCSA-N 346.415 4.163 50 40 EIGB CC1(C)[C@H]2CC=C(/C=N/NC(=O)c3ccccc3-n3cccc3)[C@@H]1C2 7988145 KEPQIIJPMCFSGS-RGXGKYPCSA-N 333.435 4.185 50 40 EIGB CN(C)c1ccccc1C(=O)N/N=C\c1ccc(-c2ccccc2)cc1 31723468 LYHWGMLEEHKVDH-KQWNVCNZSA-N 343.430 4.184 50 40 EIGB Cc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1 33319303 KYVDGNYNNIKISS-HAHDFKILSA-N 344.414 4.338 50 40 EIGB Cc1cccc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1C 59248011 FCMAMCJDFJDSFJ-CIAFOILYSA-N 334.423 4.259 50 40 EIGB COc1ccc(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)cc1OC 5445829 LCNLTSLTCIGFIT-ZMTLZGASSA-N 340.448 4.349 50 40 EIGB O=c1c(-c2ccccc2)coc2cc(OCCBr)ccc12 6759357 ZYZALFOYLVJNSP-UHFFFAOYSA-N 345.192 4.234 50 40 EIGB biogenic C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1F 59473566 MFDACBYLYREXML-VSMYLPJWSA-N 336.819 4.110 50 40 EIGB C#CCn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 487367 AQLSABKWKHVRME-VBKFSLOCSA-N 327.343 4.247 50 40 EIGB ClCCN1CCC(CCCC2CCN(CCCl)CC2)CC1 1667997 DDNXDMZRTOTKHY-UHFFFAOYSA-N 335.363 4.058 50 40 EIGB Cc1cc(C)cc(-n2nc3c(c2NC(=O)CCCCl)CSC3)c1 3893233 NFOMNKQUAWPOKT-UHFFFAOYSA-N 349.887 4.193 50 40 EIGB C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(N)c1 13114054 ROOSDNAXRADJFF-HAHDFKILSA-N 329.403 4.090 50 40 EIGB C/C(=N\NC(=O)[C@H]1[C@@H]2CCCC[C@@]21C)c1ccc(Br)cc1 15224812 OXJOAEKUJZHJBA-MSSMSBRASA-N 349.272 4.116 50 40 EIGB CCC(C)(C)c1ccc(OCCCC(=O)NN)c(C(C)(C)CC)c1 3231253 KBLKGHFAHPNLAU-UHFFFAOYSA-N 334.504 4.211 50 40 EIGB CCOC(=O)c1sc(NC(=O)c2ccccc2)c(SC#N)c1C 4088246 VZILEBMOPZEPGJ-UHFFFAOYSA-N 346.433 4.059 50 40 EIGB Cc1c(C(=O)NNc2ccccc2)sc2nc(-c3ccccc3)cn12 16740401 SZOJHKWFPYGWRQ-UHFFFAOYSA-N 348.431 4.128 50 40 EIGB C/C(=N/NC(=O)c1ccc(C)c(C)c1)c1ccc(Br)cc1 18194302 POHIKOQTJAOHLG-UYRXBGFRSA-N 345.240 4.220 50 40 EIGB O=C(N/N=C\c1ccccc1OCc1ccccc1)Nc1ccccc1 33303436 OQPZRZBDLCSUDJ-JCMHNJIXSA-N 345.402 4.421 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 16410901 IEWTUUSAXXMZGA-TUCNFPDKSA-N 326.440 4.077 50 40 EIGB [C-]#[N+][C@H](c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)cc1 101182363 SITYALBRRBQJJH-HNNXBMFYSA-N 339.338 4.406 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)[C@@H]1C[C@H]2CC[C@H]1C2 107912079 DRNISQFRIZSJKT-IOUTWNGLSA-N 348.874 4.344 50 40 EIGB C[C@@H](Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 4079084 KGXKHPXWESOOMY-RXMQYKEDSA-N 336.631 4.078 50 40 EIGB CN(NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 7243022 NULHZVIGWLICAJ-UHFFFAOYSA-N 349.415 4.338 50 40 EIGB Cc1ccsc1/C=N/NC(=O)CSCc1ccccc1Cl 58915615 HMTIKXYIHWGGPX-CAOOACKPSA-N 338.885 4.093 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)c1C 408792995 NBHRTUOBYMWIAS-XYOKQWHBSA-N 345.196 4.205 50 40 EIGB C=CCn1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c2ccccc21 6317578 CLQBEOQTYALRAY-QGOAFFKASA-N 348.427 4.166 50 40 EIGB Cn1c(/C(C#N)=C\c2ccc(OC(F)F)cc2)nc2ccccc21 33471254 FQUMUJNBXOVGDV-RAXLEYEMSA-N 325.318 4.239 50 40 EIGB CC(C)(C)c1ccc(C(=O)C(Br)Br)cc1 101051432 RPZIXGWEBGSNOT-UHFFFAOYSA-N 334.051 4.283 50 40 EIGB CC(C)COc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1 408605958 ZMSYGSVEPOBYEF-RGVLZGJSSA-N 330.815 4.139 50 40 EIGB O=C(CCl)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 3887189 PGTUSOAQOFDCGL-SRZZPIQSSA-N 340.732 4.311 50 40 EIGB CC(C)(/C=N/NC(=O)CSCc1ccc(Cl)cc1)CCC#N 4714679 XQTVUJSSDMMISO-XDHOZWIPSA-N 337.876 4.005 50 40 EIGB N#C/C(=C\c1ccc(O)c(O)c1)Sc1nc2ccccc2s1 6886161 CSCPMJBJJSERDJ-YRNVUSSQSA-N 326.402 4.364 50 40 EIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 6828091 CYBSWEABGWVLAE-CXDFQFJYSA-N 334.419 4.258 50 40 EIGB O=C(Cc1cccs1)NNc1c(Cl)cc(Cl)cc1Cl 7786946 QIAPTJHNRVAQRT-UHFFFAOYSA-N 335.643 4.394 50 40 EIGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 33510964 OAKQSWMMLJRHPI-DEDYPNTBSA-N 339.395 4.046 50 40 EIGB N#CSCC(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 216855927 NBTKXPDMTFLGQT-UHFFFAOYSA-N 343.795 4.301 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 408889769 GZBNQLHTNFNOPT-MDWZMJQESA-N 341.754 4.102 50 40 EIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccccc1Cl 59387 UHYLLXVKPFGZOX-VXLYETTFSA-N 332.856 4.032 50 40 EIGB COc1cc(/C=C/C#N)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 33681200 ULZFLNBGMYQPKG-NSCUHMNNSA-N 344.754 4.373 50 40 EIGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc2ccccc12 408758989 VZROSTRPMZVNLZ-MHWRWJLKSA-N 342.354 4.114 50 40 EIGB CC(C)(C)CC(C)(C)NC(=O)[C@@H](Br)c1ccccc1 2581853 KVWSMLXTFPZZAX-ZDUSSCGKSA-N 326.278 4.454 50 40 EIGB CCCOc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1 2769485 FJCVGPIKRVXIMI-HUCUOGIVSA-N 334.419 4.260 50 40 EIGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 4714666 WOEAJULYBCYAOY-NPQOUYBPSA-N 342.464 4.106 50 40 EIGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccccc1 59473198 URCWJXLHIWWXRE-CAPFRKAQSA-N 326.465 4.077 50 40 EIGB Cc1cn2c(/C=C(\C#N)C(=O)c3c[nH]c4ccccc34)c(C)nc2s1 78262496 SKLAFDDSFOSXSS-NTUHNPAUSA-N 346.415 4.284 50 40 EIGB Cc1cc2nc(-c3cccc(NC(=O)CSC#N)c3)oc2cc1C 216857643 LNYRMGGRMGJHBD-UHFFFAOYSA-N 337.404 4.264 50 40 EIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1 408808080 DALLXAKHUHNVFV-UNOMPAQXSA-N 334.419 4.042 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(O)cc2)cc1 409023534 YBRXDHQEZCJKKP-SSZFMOIBSA-N 343.386 4.037 50 40 EIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 4211341 OPBMRLFYOSFKPC-RVDMUPIBSA-N 338.794 4.450 50 40 EIGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(C)cc2s1 20132865 ZUQPIVVFHYGOBR-JTQLQIEISA-N 341.274 4.497 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)c(OCC)c1 59116661 LZANGRKMWUZJQF-VBKFSLOCSA-N 336.391 4.030 50 40 EIGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccccc1 102752110 QPIYPRXAWWBSMU-UHFFFAOYSA-N 347.326 4.045 50 40 EIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 6951656 VGFJRSLJLIBEOX-ATVHPVEESA-N 349.390 4.268 50 40 EIGB Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1 33744540 NJFXAPNVOZSGRY-SSZFMOIBSA-N 343.386 4.037 50 40 EIGB Cc1c(/C=N/NC(=O)Nc2ccccc2Cl)c2ccccc2n1C 59248525 KGTXFXBQBRZPTF-RGVLZGJSSA-N 340.814 4.296 50 40 EIGB COc1cc(/C=C/C(C)=C/C=C/C(C)=C/C=O)cc(OC)c1OC 245189555 RJZYQSMWCGDUHV-UHFFFAOYSA-N 328.408 4.373 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)c(C)c2)cc1 408851480 CAVRWGYSJTUINR-XMHGGMMESA-N 345.446 4.449 50 40 EIGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(F)cc1 1410453 NMOKMGPQSBUMBT-CIAFOILYSA-N 341.773 4.034 50 40 EIGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O 33319156 AYUQHXFKPWQWRR-WUXMJOGZSA-N 330.727 4.027 50 40 EIGB O=[P@@](CCl)(Nc1ccccc1)N(CCCl)CCCl 1687440 ASQMALWYCAELGO-SFHVURJKSA-N 329.595 4.268 50 40 EIGB Br[C@H]1CSc2nc3ccccc3n2[C@H]1c1ccccc1 4115829 XZVHYPKKENGTGN-WFASDCNBSA-N 345.265 4.495 50 40 EIGB Cc1cccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C 57414116 LLZUCDNBJIDZDY-KAMYIIQDSA-N 325.799 4.415 50 40 EIGB COC(=O)c1cc(Cl)c(CBr)c(C(F)(F)F)c1 143550351 AWMJDYVGFWLWCL-UHFFFAOYSA-N 331.515 4.040 50 40 EIGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 141768 OGHYJTJQXJTYGX-YRNVUSSQSA-N 333.174 4.245 50 40 EIGB Cc1ccc2nc(/C(C#N)=C/C=C/c3cccc([N+](=O)[O-])c3)[nH]c2c1 332049 DOMWQYRXHZABID-XEXQVEHGSA-N 330.347 4.400 50 40 EIGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 4705179 OAEUGZXJMBTPEA-SFQUDFHCSA-N 335.451 4.045 50 40 EIGB O=C1OC(=O)c2ccccc2/C1=C\Nc1ccc(SC(F)F)cc1 103271383 DPXLRURGOCZKHQ-NTEUORMPSA-N 347.342 4.151 50 40 EIGB C#CCOc1cccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1 408598619 GDKKAGLHGHFHJK-FOWTUZBSSA-N 331.400 4.232 50 40 EIGB COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408870371 UVCBVFGULWZRIV-VGOFMYFVSA-N 326.783 4.203 50 40 EIGB N#CC1=C(SCc2cccc(Cl)c2)NC(=O)C[C@H]1c1ccco1 409143965 NRLWPHCJVYOVOL-CYBMUJFWSA-N 344.823 4.205 50 40 EIGB CCC(CC)=NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9869553 BMQQVBUZBVCHJL-UHFFFAOYSA-N 337.423 4.153 50 40 EIGB O=C(NNc1cccc(Cl)n1)Nc1cc(Cl)ccc1Cl 20031218 XFABOCQXCKUXBZ-UHFFFAOYSA-N 331.590 4.190 50 40 EIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(Cl)cc1 494819 IZKNALYUKLAFBX-MRXNPFEDSA-N 333.778 4.106 50 40 EIGB O=C(NN=C1CCCCCCCCCCC1)[C@H](O)c1ccccc1 1471490 VXTDFSLOULPCHX-LJQANCHMSA-N 330.472 4.497 50 40 EIGB N#C/C(=C/c1ccc(O)c(Br)c1)c1cccc([N+](=O)[O-])c1 33741296 DBXQHKGZUDOHHA-SDQBBNPISA-N 345.152 4.127 50 40 EIGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(N)=O)c1 408868489 MRXMZHFDLKTFKX-DEDYPNTBSA-N 340.426 4.440 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1 408938685 RDKCMGADWBXXBL-PDGQHHTCSA-N 332.403 4.414 50 40 EIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccccc1O 5381650 GLPQNVXCZDBPIV-VXLYETTFSA-N 344.823 4.414 50 40 EIGB Cc1cc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)no1 7900473 XELPADDJNTUIKS-MHWRWJLKSA-N 343.390 4.331 50 40 EIGB CSc1ccc(/C=N/NC(=O)c2cc3cc(C)ccc3nc2C)cc1 1008014 OVNJQOYGDORYNQ-CIAFOILYSA-N 349.459 4.337 50 40 EIGB O=C(N/N=C/c1ccc(Cl)s1)c1ccc(Cl)c(Cl)c1 5670539 HZAFRNMWVBEDJB-OMCISZLKSA-N 333.627 4.472 50 40 EIGB Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)C(=O)c1ccccc1 7062797 QPMFXSSWUZJHIY-DEDYPNTBSA-N 341.414 4.338 50 40 EIGB Cc1csc(/C(C#N)=C/Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 7697796 XIWAAVFKSREOQQ-MJWAUXSNSA-N 340.477 4.486 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408738401 WXIBZEFTSKVQFC-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)Nc1ccccc1Cl 408959879 HHTVECVHCZWQFX-MOSHPQCFSA-N 342.830 4.096 50 40 EIGB Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)[C@H](C)Cl)cc1 303576 DFEVABUBOIZYAA-ZDUSSCGKSA-N 332.787 4.064 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccc(COc2ccc(C(C)C)cc2)o1 2780750 TUGNSUIYLFMILH-LFIBNONCSA-N 339.391 4.452 50 40 EIGB CC(C)(CCl)C(=O)Nc1ccc(NC(=O)C(C)(C)CCl)cc1 3104442 QNBPBMPHRIWZEN-UHFFFAOYSA-N 345.270 4.094 50 40 EIGB CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1 4588871 DGLYAJIJIFQRJC-LFIBNONCSA-N 341.794 4.389 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1Cl 6033582 WJVQBCNQYLTYOT-SRZZPIQSSA-N 338.794 4.271 50 40 EIGB COc1ccc2ccccc2c1/C=C(\C#N)c1nnc2n1CCCCC2 7158920 OAOSGFXNUJRVQX-DTQAZKPQSA-N 344.418 4.230 50 40 EIGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-] 9434856 KCSQOGUHMXQCPF-UKTHLTGXSA-N 341.754 4.102 50 40 EIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2ccccc2o1 59680120 SVRIBRGFMRPJET-LPYMAVHISA-N 344.370 4.359 50 40 EIGB COc1ccc(N(CC2CCC2)C(=O)CCl)cc1C(F)(F)F 199756792 ZIYVZURFYVSMLV-UHFFFAOYSA-N 335.753 4.086 50 40 EIGB O=P(C(=S)NC1CCCCC1)(c1ccccc1)c1ccccc1 159129 YOWAKYKLZFJTHW-UHFFFAOYSA-N 343.432 4.208 50 40 EIGB CCOc1ccc(Oc2ccccc2C(=O)/C(C#N)=C/N(C)C)cc1 4105329 HKTTWDIGQHJQAX-CCEZHUSRSA-N 336.391 4.029 50 40 EIGB C[C@H]1CC=C2[C@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N 36046365 LTBLKVQJWVATAB-YEWDVWPNSA-N 348.837 4.180 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1 58822640 UVHKIPUDQSYCMM-RAXLEYEMSA-N 346.308 4.260 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cccc2ccccc12 59333769 ZGLYOOJGZDVICB-UYRXBGFRSA-N 343.430 4.243 50 40 EIGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 408868788 OSFVOAVEUGPTDF-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB C/C(=N\NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1 345388 WVVBXGAEJWFCHR-RCCKNPSSSA-N 344.842 4.184 50 40 EIGB Cc1ccc(/C=C(C#N)\C(O)=N\c2ccc(Cl)cc2[N+](=O)[O-])o1 17121620 JSXZOLZIRGKCOV-POHAHGRESA-N 331.715 4.345 50 40 EIGB CC(=O)Nc1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1 17544520 SGABEVAPXWFXGQ-UHFFFAOYSA-N 349.370 4.159 50 40 EIGB O=C(N/N=C/c1cccc(F)c1)c1ccc(OCc2ccccc2)cc1 19338310 HJJSDLULOVAMIK-OEAKJJBVSA-N 348.377 4.169 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)o2)cc1 60694134 JXOFCUAVXCJJGJ-SAPNQHFASA-N 349.434 4.378 50 40 EIGB N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 255834700 UWWHFZPTLAZSHZ-XFFZJAGNSA-N 333.174 4.245 50 40 EIGB CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 408737074 HNJPCFVADYMYKV-XQNSMLJCSA-N 349.434 4.281 50 40 EIGB Clc1ccc(Cl)c(/N=C2\NC[C@H](CBr)S2)c1 292376 HOGUNOVSEYWCSR-ZETCQYMHSA-N 340.073 4.081 50 40 EIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1 5131116 NTWCTROYLAEWDK-SFQUDFHCSA-N 328.371 4.394 50 40 EIGB CC(=O)Nc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1 27336676 MUPXTSDFBFZEJI-HNNXBMFYSA-N 338.498 4.298 50 40 EIGB biogenic O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Cl)C(=O)c1ccccc1 118214 SOGOIEQJXCAMJF-ZDUSSCGKSA-N 341.716 4.134 50 40 EIGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccsc1 3262050 IJMOMKCOKZXDCN-WUXMJOGZSA-N 332.812 4.264 50 40 EIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 4528290 OTOOFOXHAPYNQA-AWQFTUOYSA-N 326.705 4.123 50 40 EIGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccccc1 40889421 WGMJUXYXTFBMOC-GDNBJRDFSA-N 345.229 4.259 50 40 EIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1F 59473567 MFDACBYLYREXML-VURRPDKYSA-N 336.819 4.110 50 40 EIGB Cn1c(SCCCCl)nnc1-c1ccc(F)c2ccccc12 228979222 NVXKTCFYAUZHBY-UHFFFAOYSA-N 335.835 4.495 50 40 EIGB Cc1cccc(NC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)c1 408961622 UCBCUANLIVZYJT-STZFKDTASA-N 336.439 4.059 50 40 EIGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 49784 WIYRUNQSVXJNSA-XQNSMLJCSA-N 337.467 4.245 50 40 EIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@H]2CC[C@@H]1C2 4156490 AKVPWZWFZVPZAV-VJIVCAPFSA-N 341.238 4.053 50 40 EIGB O=P(O)(O)CCCCCCCCCCCCBr 39337614 OFBOCVJPIJRGMU-UHFFFAOYSA-N 329.215 4.460 50 40 EIGB O=C(CCSc1ccccc1)N/N=C/c1cccc2ccccc12 59473606 XALXEUCZLYHZBB-RCCKNPSSSA-N 334.444 4.472 50 40 EIGB CC(=O)N/N=C/c1c(OCc2cccc(C)c2)ccc2ccccc12 409014527 QAIQKZQVFLERGY-LPYMAVHISA-N 332.403 4.197 50 40 EIGB COc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1 368154 BBNHNJBZQOESPZ-LPYMAVHISA-N 344.370 4.359 50 40 EIGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C)o3)cc2)cc1 583024 JXJICKZPVRRGAU-LPYMAVHISA-N 348.402 4.239 50 40 EIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(C)s2)cc1 1320206 IYQISXYUIPULCV-OTGIAGGSSA-N 330.453 4.099 50 40 EIGB COc1ccc([C@@H](C#N)N(C(=O)CCCl)c2ccccc2C)cc1 5100493 ICDGBMNRPFYTAE-GOSISDBHSA-N 342.826 4.230 50 40 EIGB CC(C)c1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)cc1 38654499 LQJFYRLFDJUPSM-UHFFFAOYSA-N 342.395 4.239 50 40 EIGB O=C(CCCC[C@H]1CCSS1)NCc1c(F)cccc1F 96222556 UPPRSTVSWSKRFU-NSHDSACASA-N 331.453 4.295 50 40 EIGB biogenic CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C 408948686 DBTMOXYZJDVQJT-IMUBYKMJSA-N 334.847 4.015 50 40 EIGB Cc1cccc(NC(=O)NNc2ccnc3cc(Cl)ccc23)c1 12558118 JGBDFMXRTDCFCB-UHFFFAOYSA-N 326.787 4.345 50 40 EIGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(Cl)cc1Cl 100172166 BXDUFOVLBLHOAX-ZAAUCHBSSA-N 325.239 4.270 50 40 EIGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cccc(F)c2)cc1 1001870 XOLVSKWHCGATKN-VKCZAOEGSA-N 338.426 4.377 50 40 EIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1Cl 5531655 UCQCRDUSDOTKCH-OTGIAGGSSA-N 332.856 4.112 50 40 EIGB CCn1c(C)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1C 409073509 PYZXMPJVFBHCKZ-PXNMLYILSA-N 343.434 4.133 50 40 EIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CNc2ccc(C)cc2C)C1 358240 QVVXTDDLTKDPGI-QGSQVHNNSA-N 325.456 4.120 50 40 EIGB N#C/C(=C\C=C\c1ccco1)C(=O)Nc1cccc(Br)c1 448621 YLAYVPKDZMJCRJ-HOTXFKOVSA-N 343.180 4.144 50 40 EIGB O=C(CCl)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 8466537 SBYPESOHXVFRQV-UHFFFAOYSA-N 337.810 4.106 50 40 EIGB COc1ccccc1N/C=C(/C#N)c1nc2cc(Cl)ccc2o1 16228461 CIFRGLQIXPFEIR-KHPPLWFESA-N 325.755 4.466 50 40 EIGB FC(F)(F)C(CCBr)(C(F)(F)F)C(F)(F)F 95707897 ZVMVIYAHVLOMMJ-UHFFFAOYSA-N 326.984 4.445 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c(F)c2)cc1 409098782 PJFXAEUYJXPJGF-ATVHPVEESA-N 349.409 4.280 50 40 EIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1cccc(Cl)c1 494985 DXDIPPAOPUJKEB-INIZCTEOSA-N 333.778 4.106 50 40 EIGB CCCCOc1cccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)c1 2768605 AMMINZORVNSJGL-DEDYPNTBSA-N 348.446 4.397 50 40 EIGB C/C(=N/NC(=O)c1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 4646698 GMJFUURENMNMKB-QRVIBDJDSA-N 335.451 4.490 50 40 EIGB CC(C)(C)Sc1ccc(NC(=O)NNC(=O)c2ccccc2)cc1 92018101 NXYMELDXYHNVDX-UHFFFAOYSA-N 343.452 4.044 50 40 EIGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C 408999398 KUILNVYIPNUILW-UCQKPKSFSA-N 345.446 4.475 50 40 EIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 1045834 PPFMTJNBFWBIPI-RGVLZGJSSA-N 330.815 4.107 50 40 EIGB CCCCCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 1813421 TZURDVZFYRPDJO-UHFFFAOYSA-N 349.434 4.074 50 40 EIGB N#CC1=C(N)OC2=C(CCCC2)[C@@H]1c1cccc(Br)c1 2745551 PJZPEFCASGWCML-HNNXBMFYSA-N 331.213 4.085 50 40 EIGB CCCCCCSC1=C(C#N)[C@@H](c2ccccc2OC)CC(=O)N1 8973197 ATTPHGVWBIZXOE-OAHLLOKOSA-N 344.480 4.347 50 40 EIGB O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1Cl 43776201 GFLDZNOMSONELT-KEBDBYFISA-N 344.201 4.306 50 40 EIGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc([N+](=O)[O-])cc3)c12 97152335 OXXXRPHCBVQNSH-ZROIWOOFSA-N 331.331 4.174 50 40 EIGB C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc(C)cc1 409110647 XLAHPRXIKNNWMY-CAPFRKAQSA-N 326.465 4.326 50 40 EIGB Cc1ccccc1-n1cccc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1 6044939 MLNCGOBHQWNUTG-SSZFMOIBSA-N 343.386 4.037 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccnc1 17355359 BKPISNOVXQINQT-LDADJPATSA-N 342.402 4.035 50 40 EIGB Cc1ccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1 57414117 CJLOIPOQJQOEIG-KAMYIIQDSA-N 325.799 4.415 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(F)c3)c2C)c1 408765037 YWOAOPSKMVZBMC-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1 239322 KKKUAEVVHKEQCD-LPYMAVHISA-N 338.451 4.130 50 40 EIGB O=C(CCCCl)Nc1ccc(Br)cc1C(F)(F)F 2161140 SWLMNORTQHPCNA-UHFFFAOYSA-N 344.558 4.425 50 40 EIGB Cn1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 32223225 MTSHHZRRJLALTJ-UKWGHVSLSA-N 346.217 4.249 50 40 EIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(F)F)cc2)c1 32752539 JIAFLXPFGOSBRN-XNTDXEJSSA-N 342.345 4.451 50 40 EIGB Cc1ccc(NC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)cc1 408961643 UHZCMQYRIKOBKM-STZFKDTASA-N 336.439 4.059 50 40 EIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1cccs1 371056 BJLZAODHCMDQSD-MBNTZHJCSA-N 336.844 4.018 50 40 EIGB Cc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)o2)cc1 385949 HAQYVVAFMMGOJD-IBGZPJMESA-N 346.386 4.070 50 40 EIGB C[C@@H]1CC[C@@](C)(C(=O)C(Br)Br)C1(C)C 4266818 CJHCACLPNGEXBJ-HQJQHLMTSA-N 326.072 4.134 50 40 EIGB biogenic O=C(N/N=C/c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 5749774 SQPBANBBULTPRA-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB CCN1CCC(=NNC(=O)c2sc3cc(C)ccc3c2Cl)CC1 55075615 NOYUNNFBNODLFB-UHFFFAOYSA-N 349.887 4.065 50 40 EIGB ClCCN(CCCl)c1ccc(/C=N/N=C/c2ccco2)cc1 1709257 UDOHJUAPUOACKQ-KVOOEGMKSA-N 338.238 4.017 50 40 EIGB Cc1cc(C)cc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 57414094 ONGGXCZVJOABOL-KAMYIIQDSA-N 325.799 4.415 50 40 EIGB N#C/C(=C\C=C\c1ccco1)C(=O)Nc1sc2c(c1C#N)CCCC2 408550772 JVURQFKGSIBYLN-ZDRLZTMZSA-N 349.415 4.193 50 40 EIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)cc1C 408742657 XPNGKPQVAPMHRS-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB N#C/C(=C/c1cc(Cl)ccc1O)C(=O)Nc1ccc(Cl)cc1 408745134 JYQVJBLGJJEBFQ-XFFZJAGNSA-N 333.174 4.245 50 40 EIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 408966315 ZNZPSIPRCGWBHF-GHXNOFRVSA-N 345.152 4.127 50 40 EIGB O=C(Nc1ccccc1)c1ccc(N(CCCl)CCCl)cc1 1580977 PNPHDHNQEUFAHB-UHFFFAOYSA-N 337.250 4.223 50 40 EIGB Cc1cc(C(=O)CCl)c(C)n1-c1ccc(Br)cc1 3261552 ITDXFQDOFWXRRU-UHFFFAOYSA-N 326.621 4.278 50 40 EIGB CCCn1c(C)c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21 8812492 ZCMYDLXSSAZGQB-LPYMAVHISA-N 337.398 4.263 50 40 EIGB O=C1C=C/C(=N\c2ccc3c(c2)[C@@H](Br)c2ccccc2-3)O1 17322649 PIDZTHONYVXGQW-BYFYWULKSA-N 340.176 4.294 50 40 EIGB CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C1/CCCC[C@@H]1C 32705957 PMKUZKGORSUFBG-URQZNCBOSA-N 344.484 4.116 50 40 EIGB Brc1ccc(C(Br)Br)cc1 100037453 PGLAXDZKOAPBHY-UHFFFAOYSA-N 328.829 4.238 50 40 EIGB C[Si](C)(C)O[C@]1(C(F)(F)F)CCc2cc3c(c(N)c21)CCC3 2113474291 GMFKQLFFYRVVNY-OAHLLOKOSA-N 329.438 4.313 50 40 EIGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(CC)cc2s1 20132669 RVXCHXUQTKKPHO-SNVBAGLBSA-N 341.274 4.361 50 40 EIGB C=CCOc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1 59445296 LKIGNEAHUBUMRO-PXLXIMEGSA-N 330.387 4.169 50 40 EIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1 408782390 IACQWGPCUKSKTO-WJDWOHSUSA-N 336.391 4.028 50 40 EIGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Br)cc1 13111658 LVYAUTPNHGSDSM-LDTXJDIMSA-N 343.224 4.268 50 40 EIGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(Cl)c1 220475 BAWQZKPLNUDASK-WSDLNYQXSA-N 337.810 4.055 50 40 EIGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1Cl 485107 JTYWPGNHYCQGJL-CNHKJKLMSA-N 343.597 4.116 50 40 EIGB CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 567322 QGQDOOJVDHHCJW-CIAFOILYSA-N 344.842 4.167 50 40 EIGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(N)=S 408543877 SIXGDYLHBOJFEN-RIYZIHGNSA-N 328.824 4.112 50 40 EIGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC 408757467 XFTFWWQBUYHODU-HYARGMPZSA-N 348.402 4.011 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)s1 408795021 UKZHJJLRQNLGKS-DHZHZOJOSA-N 347.237 4.365 50 40 EIGB C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc(F)cc1 409121084 XVGQBEMNOAAYMN-XSFVSMFZSA-N 330.428 4.157 50 40 EIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 4815252 BMPXLFNVEDLWLI-XFXZXTDPSA-N 346.180 4.179 50 40 EIGB CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 5718878 YTBPXXPSBBZRCB-VXLYETTFSA-N 337.206 4.156 50 40 EIGB CS(=O)(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 7714133 OKKRQYYCWLICMJ-JXMROGBWSA-N 342.203 4.162 50 40 EIGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 33653063 XHBFDBBTUMAKCX-IZCBMXNHSA-N 336.391 4.115 50 40 EIGB COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Cl)cc1 16227896 JCQVQXKUXQXUCT-MTJSOVHGSA-N 338.794 4.266 50 40 EIGB CCN(CC)c1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc1 19805994 GTSKWYRRCQZKQK-FQEVSTJZSA-N 335.451 4.024 50 40 EIGB N#CCn1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21 408570777 YLAMGIFPRUQSHX-LCYFTJDESA-N 341.349 4.244 50 40 EIGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 5750203 SRWDQNYFDOGOME-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB O=C(Cc1cccc2ccccc12)N/N=C\c1ccc2c(c1)CCC2 31719626 FSLFNUDEOZCNQI-HAHDFKILSA-N 328.415 4.021 50 40 EIGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 40024712 GDCZABQFSWQIIA-LICLKQGHSA-N 347.396 4.182 50 40 EIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1)c1ccccc1 60694071 ZVIREZWFQUECFG-WDMNMGCXSA-N 349.434 4.054 50 40 EIGB O[C@@H](CBr)c1cc(-c2ccccc2)nc2ccccc12 1672304 KWVHEXKSBPLBPQ-KRWDZBQOSA-N 328.209 4.330 50 40 EIGB C[C@H](Cl)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 3887359 OPWBFVHTCZOTCK-IINYFYTJSA-N 337.206 4.238 50 40 EIGB O=C(NN=C1CCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 6286854 PCFRRFQTRMODAO-UHFFFAOYSA-N 344.418 4.199 50 40 EIGB N#C/C(=C\c1cccc(Cl)c1Cl)c1nnc2n1CCCCC2 7158902 GITHETRCHAYFBS-FMIVXFBMSA-N 333.222 4.375 50 40 EIGB N#C/C(=C/c1ccc2c(c1)CCO2)c1nc(-c2ccccn2)cs1 58174464 IQOMGGQSPHTPIL-GDNBJRDFSA-N 331.400 4.204 50 40 EIGB Cc1ccc(SC/C(O)=C(\C#N)c2nc3ccccc3n2C)cc1 100878725 FSMNISRCKNJUDB-SDXDJHTJSA-N 335.432 4.467 50 40 EIGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1C 408746543 ZXZAHWZVZSSJRN-ZROIWOOFSA-N 326.783 4.203 50 40 EIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408808721 NBKHZLVIUNANDY-VVBXCHJUSA-N 339.414 4.055 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 6970369 NKLZNKCYPMPTRR-WJDWOHSUSA-N 337.354 4.398 50 40 EIGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1 33467138 NMOHFZAGATWFCV-SSZFMOIBSA-N 347.443 4.197 50 40 EIGB O=C(CCl)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 38198108 SYSPYOPJPIGDEF-PDHWYABUSA-N 344.798 4.234 50 40 EIGB CC1(C)CC(=O)C2=C(C1)NC(S)=C(C#N)[C@@H]2c1ccc(Cl)cc1 3682877 UNZITIQYRPSORQ-HNNXBMFYSA-N 344.867 4.335 50 40 EIGB O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1Cl)c1ccccc1 4194505 HXTOJBLHWHAHPQ-QZTJIDSGSA-N 343.835 4.153 50 40 EIGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)C1CCCCC1 4697852 VSBCGLQFUXHRSQ-FYJGNVAPSA-N 349.862 4.049 50 40 EIGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 5381410 MJKGCGDYXKROCK-NPRIEWAGSA-N 342.464 4.105 50 40 EIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 12404059 PCEQGCVAQGBZOD-WGBIJJAVSA-N 347.802 4.266 50 40 EIGB Cc1ccccc1NC(=O)N/N=C\c1ccc(-c2ccc(C#N)cc2)o1 35396400 AIMCKSGFFPDZST-XKZIYDEJSA-N 344.374 4.282 50 40 EIGB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1OO3 104137090 IQKPNFFLSFPURG-FTQUJXNBSA-N 334.456 4.349 50 40 EIGB N#C/C(=C/c1ccccc1I)c1ccc(F)cc1 408552775 VERLDMVIFXPGHQ-LCYFTJDESA-N 349.146 4.494 50 40 EIGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1sc2c(c1C#N)CCCC2 408818100 OXMHJTVZJUSNPI-UHFFFAOYSA-N 332.432 4.337 50 40 EIGB Cc1cc(C)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)c1 409228726 DFJVASMVGZXSDJ-ZHZULCJRSA-N 332.447 4.268 50 40 EIGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1 201744 FYLKDLWGTPJDAW-QGZVFWFLSA-N 347.443 4.185 50 40 EIGB CCc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 3151083 UBKRUEAPVCSQBO-YBFXNURJSA-N 332.856 4.145 50 40 EIGB C[C@H](Cl)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 3887357 OPWBFVHTCZOTCK-HZMBPMFUSA-N 337.206 4.238 50 40 EIGB Cc1c(/C=N/NC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C 59679379 CCKGJXPMIDKLGK-RGVLZGJSSA-N 340.814 4.296 50 40 EIGB O=C(N/N=C/C=C/c1ccccc1)c1cc(Cl)cc(Cl)c1O 4705060 ADZYPHJPELFTAY-SIARZVSRSA-N 335.190 4.128 50 40 EIGB CCCCOc1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc1 6693635 XCCKVVWUZZZDJE-UHFFFAOYSA-N 333.391 4.321 50 40 EIGB COc1cc2c(cc1/C=C(\C#N)C(=O)c1sccc1C)O[C@H](C)C2 44028364 KEZKERBTWFRCML-IWTIEGKHSA-N 339.416 4.178 50 40 EIGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1O 408567423 DQRHMPHDGNSACZ-ZSOIEALJSA-N 349.365 4.209 50 40 EIGB Cn1ccnc1S/C(=C/C=C(C#N)C#N)c1ccc(Cl)cc1 161659 GFKVMAYZHSCZEZ-VIZOYTHASA-N 326.812 4.180 50 40 EIGB Cc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Br)c1 448779 WWCYYFXAHUKUIA-NTEUORMPSA-N 341.208 4.303 50 40 EIGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(C)c(C)c1 5618014 GIOAYXXCUIPOCX-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 6960063 FYAYBLXJZKDDQW-HYARGMPZSA-N 331.419 4.166 50 40 EIGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 18276094 GWHREHZCEGKTEU-XQNSMLJCSA-N 344.414 4.065 50 40 EIGB CC1(C)[C@@H]2CC[C@]1(C)C(=O)O[C@@H]2[C@H](Br)c1ccccc1 100364518 QYWCYKSLJQCHDH-VWPFQQQWSA-N 337.257 4.491 50 40 EIGB Fc1cc(Br)c(CBr)cc1Br 146281362 KNZGQUQTKSNBCW-UHFFFAOYSA-N 346.819 4.246 50 40 EIGB C/C(=N\NC(=O)CNc1cccc2ccccc12)c1cc(C)ccc1C 409392507 PUJZWOFXNZGKGY-JJIBRWJFSA-N 345.446 4.409 50 40 EIGB CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)s2)cc1 507582 JMEPNIFPUKNOMZ-GIJQJNRQSA-N 336.844 4.054 50 40 EIGB Cc1cc(C)c(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C)c1 2771402 FPPPDLHTHCHIJX-FPQGOQEYSA-N 344.842 4.183 50 40 EIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc2ccccc2o1 5704938 XMAONQOLJVKTCR-CIAFOILYSA-N 330.343 4.056 50 40 EIGB CS(=O)(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 7714105 NFVRQQVOYRIZAH-YRNVUSSQSA-N 342.203 4.162 50 40 EIGB N#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 31830379 XHJFAHMHCMIATE-AUWJEWJLSA-N 348.383 4.309 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 59473677 UVQRLGOTOIHYRF-HCZVKUGISA-N 332.856 4.361 50 40 EIGB O=C(CCCCl)Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1 1705718 CCKBOFNRQCTONN-UHFFFAOYSA-N 348.786 4.131 50 40 EIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C 4544399 LTNNRXLUPJTEIZ-RIYRZUHRSA-N 346.858 4.341 50 40 EIGB N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1Cl 5131291 CEPIHXDGGMCOMC-MDWZMJQESA-N 342.185 4.411 50 40 EIGB Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1C 98087125 UXYFIXWIOLUVPK-WSDLNYQXSA-N 345.402 4.305 50 40 EIGB CCCCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 101671108 KBSCXNMYJFAXFY-AWNIVKPZSA-N 341.363 4.393 50 40 EIGB CCCC[Sn]1(CCCC)OO[C@](C)(CC)O1 195999355 IJWCBELDCCPUTA-VYOFIOMFSA-M 337.048 4.133 50 40 EIGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c1 409064304 OTSLTVQGSMUMKD-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB Cc1ccc(C2(c3ccc(C)cc3)OC[C@@H](CBr)O2)cc1 2043653 QJKYQCYOKIEGMB-QGZVFWFLSA-N 347.252 4.315 50 40 EIGB Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1cccc(C(F)(F)F)c1 3305429 XVDPUDQRMRIJHA-NTUHNPAUSA-N 334.297 4.105 50 40 EIGB Cc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1 33319288 PCZGWBFHUHHFQV-HAHDFKILSA-N 344.414 4.338 50 40 EIGB N#C/C(=C\Nc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1 57414008 RFKVAROQHPERTD-ZHACJKMWSA-N 332.190 4.451 50 40 EIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 67189524 TWUWCFGKOPRVIW-GHXNOFRVSA-N 329.699 4.221 50 40 EIGB O=C(c1ccc2ccccc2c1)C(Br)Br 100257565 QUPXDNYLSHFPBQ-UHFFFAOYSA-N 328.003 4.138 50 40 EIGB Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)cc1 409372253 KGUVLEXRRVVHLI-NTCAYCPXSA-N 338.432 4.269 50 40 EIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2c1 366228 ZOHCHNRGNHUEJV-FSJBWODESA-N 342.402 4.097 50 40 EIGB CCCCCCC[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 2060131 PUXJPHTVVOAKBG-ZDUSSCGKSA-N 338.407 4.323 50 40 EIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2O)cs1 4601763 HKCUOARZKZTIQT-UKTHLTGXSA-N 349.371 4.488 50 40 EIGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 7163657 XZIGBGOQIIPBBG-QGOAFFKASA-N 332.403 4.414 50 40 EIGB CC(/C=C/c1ccccc1)=N/NC(=O)c1cc(C)nc2ccccc12 13113503 AZCVJMCIKSIGAM-UNMKBGRBSA-N 329.403 4.362 50 40 EIGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2cc(F)ccc12 40139943 AXFMVKZUSLUJIC-GHXNOFRVSA-N 335.294 4.005 50 40 EIGB COc1ccc(/C=C/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408964710 DEGUJXNPAFYZGS-DMRDCZSUSA-N 348.324 4.143 50 40 EIGB CC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 409010053 BCRFSDUJVPYSAB-DJKKODMXSA-N 337.206 4.042 50 40 EIGB CC(C)n1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c2ccccc21 5516245 SWBKXCUFAPUROQ-FGIMNINOSA-N 345.446 4.476 50 40 EIGB N#C/C(=C/c1cccs1)C1=NC(=O)/C(=C/c2cccs2)S1 5677264 YKSHBMJWKMBZSQ-VQHBBHOASA-N 328.443 4.430 50 40 EIGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 16268360 OAEUGZXJMBTPEA-ATVHPVEESA-N 335.451 4.045 50 40 EIGB CCc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C)C[C@H]32)cc1 17143743 OTQGRWKTNXXLPH-NQYLQCIDSA-N 342.446 4.089 50 40 EIGB CCOc1cc(/C=C/C(=O)Cl)cc(Br)c1OCC 62715238 YXXOSTSZJSGBAK-AATRIKPKSA-N 333.609 4.025 50 40 EIGB c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 104092527 JUAHKSBERRLSHD-UHFFFAOYSA-N 340.406 4.038 50 40 EIGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OC(C)C 107773028 DPYWODNBXAYKSJ-SXGWCWSVSA-N 338.363 4.455 50 40 EIGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2F)o1)Nc1ccccc1 408603429 QTMPJUOFBWWBHL-SRZZPIQSSA-N 341.317 4.380 50 40 EIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1 371551 IZOMIQZNOSWCMY-RFRKOGIWSA-N 329.403 4.261 50 40 EIGB N#CC(=C1CCCCC1)c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 12599361 QUZACMFXFTWRSC-UHFFFAOYSA-N 336.420 4.221 50 40 EIGB FC(F)(F)Oc1ccc(CBr)cc1OC(F)(F)F 39320471 COWXCGDEUBIJIV-UHFFFAOYSA-N 339.029 4.379 50 40 EIGB O=C(NNc1ccc(F)cc1)c1ccc(-c2ccccc2F)s1 46334062 UIVMTNOQBPGBJB-UHFFFAOYSA-N 330.359 4.450 50 40 EIGB CSc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 58915756 OGXJURKGUBGZBP-RNEAKCBISA-N 330.478 4.039 50 40 EIGB CC1=C2CC(=O)C=C2[C@@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)C12CC2 196048895 YQSDGDYXPRGCRO-AEFFLSMTSA-N 334.532 4.137 50 40 EIGB in-vitro CCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 1780850 WKTDQYQBMUIAAQ-XMHGGMMESA-N 341.432 4.204 50 40 EIGB CC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1 4650865 JRKVEWYSWRINJS-BQKUQICYSA-N 326.827 4.374 50 40 EIGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc2ccccc2c1 12587801 DRSXJEAXJICCSP-OEAKJJBVSA-N 327.387 4.475 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2C)cc1 408959766 FKRURYKLVFVKAD-RGEXLXHISA-N 345.446 4.449 50 40 EIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1C 210896 JXHGDGRUSQPSFC-HXUWFJFHSA-N 342.398 4.375 50 40 EIGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1csc2c1CCCC2 1003345 KNPMOHIVSSBDDX-UHFFFAOYSA-N 328.481 4.169 50 40 EIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccncc3)sc2c1 34849210 KJHRJAKUCVHLGX-OCKHKDLRSA-N 329.812 4.022 50 40 EIGB CN1/C(=C(/C#N)c2cc[n+](C)c3ccccc23)Sc2ccccc21 169380577 IHLBIKURVGYYAN-UHFFFAOYSA-N 330.436 4.099 50 40 EIGB C#CCn1c(C)c(/C=C(\C#N)c2ccc3c(c2)OCO3)c2ccccc21 409365311 QNBYRXLHXQYUAM-GZTJUZNOSA-N 340.382 4.376 50 40 EIGB COc1ccc(/C(C)=N/NC(=O)c2cccc3ccccc23)cc1OC 5381985 ZYVBIYCZEIKZNJ-HYARGMPZSA-N 348.402 4.011 50 40 EIGB CC1(C)CC(=C(C#N)C#N)c2cc(C(=O)c3ccccc3O)ccc2C1 5938244 VABAOYJPWFYCHU-UHFFFAOYSA-N 342.398 4.396 50 40 EIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F 16388452 NSIZUHYUAZQRTM-FMIVXFBMSA-N 334.272 4.390 50 40 EIGB Cc1ccc(CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)cc1 409132762 LQOUHZHJPUAPHI-AWEZNQCLSA-N 340.473 4.329 50 40 EIGB O=C(CCl)Oc1ccc(-c2ccccc2)c(Br)c1 1586635 XPWYANAUJMRWQH-UHFFFAOYSA-N 325.589 4.260 50 40 EIGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1 4545313 QNZGDLVBKCOOQR-WSDLNYQXSA-N 349.777 4.236 50 40 EIGB CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccccc2Cl)cc1 6285911 CYSJFIIGISNMCH-KGENOOAVSA-N 343.858 4.340 50 40 EIGB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2ccc(NC(=O)CC)cc2)C1 30738285 XMVDLLYYIXBGPR-NLFAIWHDSA-N 339.439 4.053 50 40 EIGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1 59104655 ZOGAOSGZMMFAJH-DEDYPNTBSA-N 342.830 4.096 50 40 EIGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OC 408691959 ZYPSHOUAFXGIAN-YBEGLDIGSA-N 333.391 4.051 50 40 EIGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc2ccccc2n1 4525844 ZUSBFALSZVZLLO-SSDVNMTOSA-N 343.308 4.018 50 40 EIGB CC/C(=N/NC(=O)c1cccc(O)c1)C12CC3CC(CC(C3)C1)C2 5727568 BNSOIGKUXYEZJH-UZYVYHOESA-N 326.440 4.104 50 40 EIGB O=C(NNc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 16740466 SFINOOXCLNLWGY-UHFFFAOYSA-N 340.386 4.054 50 40 EIGB O=C(CCc1c[nH]c2ccccc12)NNc1cccc(C(F)(F)F)c1 68774474 NJXHHVJBCGZZDI-UHFFFAOYSA-N 347.340 4.263 50 40 EIGB N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 98087135 HHCIFFDNHMHSGO-LCYFTJDESA-N 329.153 4.421 50 40 EIGB Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1 408773482 LAZBOHPJXCRWNM-JYRVWZFOSA-N 328.799 4.340 50 40 EIGB COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1 408877926 YFEIRCPVJWKNHK-WUXMJOGZSA-N 330.746 4.033 50 40 EIGB CC(C)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 222761 UOAAMSTXAZHIKF-RGVLZGJSSA-N 330.815 4.025 50 40 EIGB O=C(NC1c2ccccc2Oc2ccccc21)OCCBr 1661541 TVEGKFDPCYSYDI-UHFFFAOYSA-N 348.196 4.003 50 40 EIGB CCCN(CCC)c1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1 30821999 GVFPPYUFAZOCKZ-JCMHNJIXSA-N 341.430 4.216 50 40 EIGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccco2)cs1 100986531 PMNMWHJDDURIBJ-DHZHZOJOSA-N 337.360 4.108 50 40 EIGB C[C@H]1C/C(=N\NC(=O)c2cc(Cl)nc(Cl)c2)CC(C)(C)C1 162949 FNISVFAAEGBPEJ-VQAXKHEISA-N 328.243 4.320 50 40 EIGB Cc1ccc(-c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)o2)cc1 385948 HAQYVVAFMMGOJD-LJQANCHMSA-N 346.386 4.070 50 40 EIGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 485086 JZUMKJYZVZKMTL-QGMBQPNBSA-N 327.598 4.411 50 40 EIGB N#CC1=C(N)OC2=C(CCCC2)[C@H]1c1cccc(Br)c1 2745552 PJZPEFCASGWCML-OAHLLOKOSA-N 331.213 4.085 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1Cl 6218211 JFROGHQKHYZETO-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OC(C)C)cc1 20197784 QNOFCZVMFPNADI-KGENOOAVSA-N 340.423 4.027 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 5865523 KUHMNVYNBUIBBR-XNTDXEJSSA-N 346.386 4.283 50 40 EIGB CCOP(=O)(OCC)/C(C#N)=C\c1cnc(-c2ccccc2)[nH]1 8651849 WDNNYKAJTUWOAO-GDNBJRDFSA-N 331.312 4.207 50 40 EIGB CSc1ccc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)cc1 39380657 LMPNWMVCIOCVOE-ZDLGFXPLSA-N 328.396 4.489 50 40 EIGB CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 101936151 MJFBQLBQZYNBSC-MRXNPFEDSA-N 340.404 4.048 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)c1 408745559 NVEJIUPWJAXFQN-UVTDQMKNSA-N 331.375 4.112 50 40 EIGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1cccs1 408875763 HMVLZIOXYWTPBS-GZTJUZNOSA-N 338.885 4.175 50 40 EIGB O=C(CCc1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2 409126735 BWHYDNUZBJSUSQ-HZHRSRAPSA-N 328.415 4.021 50 40 EIGB CCCC(CCC)=NNC(=O)COc1ccc(Cl)cc1Cl 4156368 BHKMNWSEFGDTBE-UHFFFAOYSA-N 331.243 4.445 50 40 EIGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1O 4535363 IMWGCBXLEGABEL-KPKJPENVSA-N 339.782 4.385 50 40 EIGB C#CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC 12627275 XSZFQOQATNJDNN-FOWTUZBSSA-N 343.386 4.038 50 40 EIGB O=C(CNc1cccc2ccccc12)N/N=C\c1ccc(Cl)s1 15930639 AIYOSZSTSJWQRN-JMIUGGIZSA-N 343.839 4.117 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1 216034861 CAIUAKOWTVERBH-LGMDPLHJSA-N 328.371 4.394 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)c(C)c1 408960360 LEIDPMBQBURKDL-RGEXLXHISA-N 345.446 4.449 50 40 EIGB O=C(N/N=C/c1ccc(F)cc1)c1cc2c(ccc3ccccc32)o1 368162 XGKOERWQAZCREV-WSDLNYQXSA-N 332.334 4.489 50 40 EIGB N#CC1=C(SCc2ccccc2F)NC(=O)C[C@@H]1c1cccs1 409133838 NKBDPXBNQMYUDU-LBPRGKRZSA-N 344.436 4.159 50 40 EIGB C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N\NC(=O)OC(C)(C)C 4676753 PBFKCLOCFXBGFY-DEDYPNTBSA-N 333.432 4.039 50 40 EIGB CCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 6935361 HNTFZYWZBDHBHL-TWQQJCIXSA-N 334.419 4.260 50 40 EIGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccccc3)cc21 208457332 IPLBFSJBUUSNMY-OEAKJJBVSA-N 347.462 4.391 50 40 EIGB C#CCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c2ccccc21 302754 STNISPCZIFAFOQ-GHRIWEEISA-N 339.398 4.129 50 40 EIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 20195514 NVJKOVHYBGLHQE-HAVVHWLPSA-N 334.463 4.265 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1 24373128 JOSFBMZHRMLWCB-LDADJPATSA-N 328.371 4.394 50 40 EIGB CCN1C(=O)/C(=C(\C#N)c2nc3ccccc3s2)c2ccccc21 34859503 OKNOPRGLPSYXOL-GHRIWEEISA-N 331.400 4.097 50 40 EIGB BrCc1cc(Br)ccc1Br 69803686 FEQXBEBZQRNEKM-UHFFFAOYSA-N 328.829 4.107 50 40 EIGB in-vitro O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)COC2=O 85875449 GAECVSHNSBGPMV-CYBMUJFWSA-N 337.466 4.010 50 40 EIGB biogenic COc1ccc(/C(O)=C(\C#N)c2nc3cc(Cl)ccc3[nH]2)cc1 103610880 VYJQKWMTUGELHT-SSZFMOIBSA-N 325.755 4.175 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)o1 408806985 BSPZDUKKHSMAEQ-VBKFSLOCSA-N 337.423 4.288 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 20248046 CVQJDNYWDZSOCN-NPQOUYBPSA-N 342.464 4.106 50 40 EIGB CC(C)CCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 409116758 MDCXFVZUVMJHMK-CJLVFECKSA-N 338.451 4.194 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1 6868398 ZKDVRJYRKDJIAN-SSZFMOIBSA-N 335.407 4.124 50 40 EIGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O 33454566 MTYKZTNPWBCBCJ-SDQBBNPISA-N 330.727 4.027 50 40 EIGB COc1cc(/C=C(\C#N)c2nc(-c3ccccn3)cs2)cc(OC)c1 96310741 SPUGAPJQWGIZGO-VGOFMYFVSA-N 349.415 4.286 50 40 EIGB N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc2ccc(F)cc2[nH]1 408569325 NFOGBRVHWGGFAY-WIMOKQHYSA-N 334.310 4.231 50 40 EIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1C 6959451 LVRHPSLGDZUZFG-HYARGMPZSA-N 332.403 4.311 50 40 EIGB CC(C)[C@@H](Br)C(=O)Nc1ccc(Cl)c(Cl)c1 20280860 AYCPIGPJEXSCHZ-SNVBAGLBSA-N 325.033 4.351 50 40 EIGB CCCCCCCCCC(=O)NNC(=O)Nc1ccccc1OCC 97941878 LRZYODGHGSYPSH-UHFFFAOYSA-N 349.475 4.379 50 40 EIGB O=C(NN=C1CCCCCCCCCCC1)[C@@H](O)c1ccccc1 1471489 VXTDFSLOULPCHX-IBGZPJMESA-N 330.472 4.497 50 40 EIGB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)ccc2O1 2204192 YXRKHIHGXDHPIV-KMHUVPDISA-N 338.794 4.209 50 40 EIGB Cc1ccc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)c1 3380803 BXWSULLEVXWUIN-HSWQHBDASA-N 326.465 4.254 50 40 EIGB O=C(Cc1cccs1)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 4724428 YAIKKCOYBWAXBH-ODLFYWEKSA-N 344.823 4.354 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)c(Cl)c1 4815555 YOVKAMJJJCTKMW-UFWORHAWSA-N 325.170 4.205 50 40 EIGB CCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 27019280 RNSBHQHRBRBESW-GHRIWEEISA-N 338.407 4.072 50 40 EIGB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3 101983385 IQKPNFFLSFPURG-XLQBFBSWSA-N 334.456 4.349 50 40 EIGB biogenic,in-vitro O=C(N/N=C/C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 4947568 BMHINZWANRQNFZ-HZHRSRAPSA-N 332.378 4.373 50 40 EIGB COc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)c1 59248932 BPQAUWLOMFEFRO-RVDMUPIBSA-N 345.402 4.041 50 40 EIGB COc1ccc(/C(C#N)=C/c2ccc(N3CCCC3)cc2)cc1OC 408581896 ZUEQCNLOEYKCBW-QGOAFFKASA-N 334.419 4.368 50 40 EIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 536328 WHZWIJMYWHQVIH-OEAKJJBVSA-N 348.377 4.169 50 40 EIGB CC(C)(C)C1CCC(=NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1 8686329 ZGICVJUUWOLJRI-UHFFFAOYSA-N 338.455 4.399 50 40 EIGB C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccc2ccccc2c1 34254171 DRSXJEAXJICCSP-UCQKPKSFSA-N 327.387 4.475 50 40 EIGB N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(C(F)(F)F)cc1 409009442 FYCSCHDCMMQXSD-KAMYIIQDSA-N 348.324 4.199 50 40 EIGB C=CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc21 409375019 DFWYQILSCJFELQ-QINSGFPZSA-N 343.386 4.079 50 40 EIGB CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 7714140 LWKDQBMVPZEJLW-YRNVUSSQSA-N 342.203 4.162 50 40 EIGB N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)Nc1nccs1 8078219 KFMUYINTPXBXGD-PKNBQFBNSA-N 339.351 4.088 50 40 EIGB N#C/C(=C/c1cccs1)C(=O)Nc1ccc(Br)cc1 408746485 ZPAAISFXXJKHQE-NTMALXAHSA-N 333.210 4.056 50 40 EIGB N#CC(C#N)=C(NCc1ccc(Cl)nc1)SCc1ccccc1 97482 ZXLUCLZINGUOSB-UHFFFAOYSA-N 340.839 4.017 50 40 EIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1 1905093 HYKJOKNONQYHIS-XQNSMLJCSA-N 343.430 4.184 50 40 EIGB O=C(CCCCl)Nc1ncc(Cc2ccccc2Cl)s1 4510731 RGUWLURIUIAEKN-UHFFFAOYSA-N 329.252 4.345 50 40 EIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1 5698422 SVBVKQFNWVLKLD-GXDHUFHOSA-N 341.208 4.303 50 40 EIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(C)cc1C 6203497 OMRGYJAOUWZUMZ-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 7210420 KGLVDDLZYIOYRT-RIYZIHGNSA-N 326.783 4.203 50 40 EIGB O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1 17644435 XVCSEXZAZQVAIT-OEAKJJBVSA-N 348.377 4.169 50 40 EIGB COc1cc2c(cc1/C=C(\C#N)C(=O)c1sccc1C)O[C@@H](C)C2 44028362 KEZKERBTWFRCML-QNKXHIPISA-N 339.416 4.178 50 40 EIGB O=C(N/N=C/c1cccs1)c1ccc(N2Cc3ccccc3C2)cc1 209382 NSQZDESBXHVIRJ-CIAFOILYSA-N 347.443 4.032 50 40 EIGB CCc1ccc(/C(C)=N/NC(=O)c2cccc(Br)c2)cc1 5667315 PDYVFEGAKIGJIK-XDHOZWIPSA-N 345.240 4.166 50 40 EIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc(C(=O)O)cc1 33718747 SRVPPHNXWAUEPG-PDGQHHTCSA-N 348.402 4.058 50 40 EIGB CCCCCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1 59878800 AAYMGEXYCUKBRN-UHFFFAOYSA-N 329.488 4.115 50 40 EIGB Cc1noc(C)c1C(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 101410336 LTHFAQUWUDWRPW-UHFFFAOYSA-N 344.348 4.147 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccccc1Cl 408783152 KOWRORGNRPTNAQ-YBEGLDIGSA-N 341.842 4.179 50 40 EIGB N#C/C(=C\c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1)C(N)=O 2505853 PJRQBHKMTSGXKO-XVNBXDOJSA-N 341.581 4.299 50 40 EIGB N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc2ccccc2c1 96504860 MMVWCQYKCGVWEW-RGEXLXHISA-N 330.387 4.334 50 40 EIGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc(C)cc1 408720095 RZFOJNLILJREDE-XSFVSMFZSA-N 346.883 4.422 50 40 EIGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 4714667 WOEAJULYBCYAOY-AUQXIXNCSA-N 342.464 4.106 50 40 EIGB COc1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1OC 5383597 NCNFDUGVAJQGHW-UHFFFAOYSA-N 332.444 4.026 50 40 EIGB COc1ccc(C(=O)N/N=C/C=C(\C)CCC=C(C)C)cc1OC 20064353 MBNIZXHHRHWXMI-KFURHSOJSA-N 330.428 4.112 50 40 EIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3)cc21 208207008 UVGVDWBNYPNUMR-QQHUYRGFSA-N 335.451 4.173 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 408954050 MTJYIGMJIQRUHQ-XQNSMLJCSA-N 345.446 4.219 50 40 EIGB C/C(=N\NC(=O)c1ccccc1Br)c1cc(C)ccc1C 226114 WDSNFBLFVNYWRM-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1 2293392 ZCICQOSMBZFJCG-XQNSMLJCSA-N 345.446 4.450 50 40 EIGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1 58822599 LOZFAVXVGIAJMQ-RVDMUPIBSA-N 338.794 4.450 50 40 EIGB COc1ccc(CCCC(=O)N/N=C/c2ccccc2Cl)c(C)c1 408906174 IBCCGGWOPJNPAL-FYJGNVAPSA-N 344.842 4.130 50 40 EIGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccncc1 409007776 QTPHZRGKEFNNEH-HAHDFKILSA-N 347.418 4.178 50 40 EIGB CSc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409133133 MPNFWYYSHQEOSF-ONDHQXCVSA-N 344.505 4.348 50 40 EIGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc12 485103 QRUUOQARFZRYAI-CIAFOILYSA-N 338.794 4.266 50 40 EIGB O=C(CCl)/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1 5947343 RBRRMYKGVMVVQA-GDNBJRDFSA-N 334.202 4.170 50 40 EIGB CC(C)=CCC[C@H](C)C/C=N/NC(=O)Cn1c(C)nc2ccccc21 7738444 VWFUCVIBECQYIQ-REIAIGDLSA-N 340.471 4.219 50 40 EIGB C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccco1 12653484 FPRMQABESUMIPC-PXLXIMEGSA-N 345.402 4.318 50 40 EIGB C=C(C)C(=O)N[N+](C)(C)C[C@H](O)CCCCCCCCCCCC 95777424 HQJIDJCCPDGJCZ-LJQANCHMSA-O 341.560 4.342 50 40 EIGB CCOc1ccc2oc(C(=O)N/N=C\c3c[nH]c4ccccc34)cc2c1 409186302 ACOOUAHJSMCYIF-UUYOSTAYSA-N 347.374 4.077 50 40 EIGB CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7384967 ICNPEKCRNWIARA-XQNSMLJCSA-N 349.478 4.348 50 40 EIGB C=CCn1c(C)c(/C=N/NC(=O)c2ccccc2C)c2ccccc21 9201205 GOEDNJSIQGRHOT-HYARGMPZSA-N 331.419 4.208 50 40 EIGB Cc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 59116641 DFWILHSCFIYASL-XNTDXEJSSA-N 347.443 4.353 50 40 EIGB Cc1ccc(Cn2nc(C)c(/C=C(\C#N)c3ccccn3)c2C)cc1 96662837 WLMAIPLXMZBPMG-XDHOZWIPSA-N 328.419 4.316 50 40 EIGB N#C/C(C(=O)COc1ccc(Cl)cc1)=C1\Nc2ccccc2S1 100527676 OJHSIFQLXTUWBG-LGMDPLHJSA-N 342.807 4.241 50 40 EIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2ccccc2)cc1 138582809 FRLBVRDAAHBJKW-HAHDFKILSA-N 332.378 4.186 50 40 EIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 408808168 FHPIOTIHAHJVSQ-JHCRTCCUSA-N 326.440 4.076 50 40 EIGB COc1cc(C)c(/C=N/NC(=O)Nc2ccccc2)cc1C(C)C 408852386 KEPDJUSGOCZJGJ-UDWIEESQSA-N 325.412 4.283 50 40 EIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 143462 LKKLBWKIVQERDE-SFQUDFHCSA-N 348.402 4.142 50 40 EIGB C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1CC1 5621054 RVBBWXRLOSRART-OEAKJJBVSA-N 329.403 4.418 50 40 EIGB Cc1ccsc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1 20785413 DSKSUGZSKLEHJY-UDWIEESQSA-N 337.448 4.228 50 40 EIGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccccc1 33337496 DVXKJQFPXFLXSM-WDZFZDKYSA-N 333.174 4.245 50 40 EIGB CCCCCCCOc1cccc(NC(=O)CBr)c1 100119462 FOJZEBDGEOJDED-UHFFFAOYSA-N 328.250 4.369 50 40 EIGB O=C1C(Cl)=C2Oc3ccc(Cl)cc3N=C2[C@H](Cl)[C@@H]1Cl 104811666 NPBQKLCVEDWXFQ-SFYZADRCSA-N 336.989 4.053 50 40 EIGB N#C/C(=C/c1ccc(Br)o1)c1nc2ccc(F)cc2[nH]1 408568711 WFRNERNJOSEWKL-YVMONPNESA-N 332.132 4.122 50 40 EIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cc2ccccc2o1 5784963 OENDZGRUQOWWCL-UDWIEESQSA-N 342.782 4.005 50 40 EIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)cc1 8043284 SFPCYNXUNUJUAO-HYARGMPZSA-N 332.403 4.311 50 40 EIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)n1 408978203 LEWHNALSYSLDPO-XNTDXEJSSA-N 335.338 4.146 50 40 EIGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\C=C\c2ccco2)cc1 5284329 RXKHWNZQQKYXPG-AUOAFUKSSA-N 336.435 4.496 50 40 EIGB O=C(NNc1nc(-c2ccccc2)c2ccccc2n1)c1cccs1 46085273 YMVBREUDIDPCNM-UHFFFAOYSA-N 346.415 4.115 50 40 EIGB CC[C@H]1CCC2=C(C#N)C(=C(C#N)C#N)NC(c3ccccc3)=C2C1 170622701 NRAHPDNPULCQIL-AWEZNQCLSA-N 326.403 4.332 50 40 EIGB COc1ccc(N(CC2CCCC2)C(=O)CCl)cc1C(F)(F)F 199757706 FVEWUVXPIVLYDY-UHFFFAOYSA-N 349.780 4.476 50 40 EIGB C[C@H](NC(=O)/C(C#N)=C\C=C\c1ccc(N(C)C)cc1)c1ccccc1 409229451 PEGNJEPRUHSPOL-XPTQFBGMSA-N 345.446 4.093 50 40 EIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 108109585 LEDHOLAUIBVFOO-SDQBBNPISA-N 329.699 4.221 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cn1 546699 IKOGHFWBOWBGFE-SRZZPIQSSA-N 339.782 4.067 50 40 EIGB O=C(CCCl)Nc1nc(-c2cccc(Br)c2)cs1 1791042 OZAUUDSXOJIRAK-UHFFFAOYSA-N 345.649 4.140 50 40 EIGB Cc1ccc(S(=O)(=O)OCCCO[Si](C)(C)C(C)(C)C)cc1 200845707 ILOSRZGRFSUSHQ-UHFFFAOYSA-N 344.549 4.112 50 40 EIGB C[C@H]1CC[C@H](C(=O)O[Si](C)(C)C)/C(=C(\C#N)O[Si](C)(C)C)C1 255190408 XCJIILCOJXPBCB-GNSSOAERSA-N 339.584 4.430 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(O)cc1 409023374 LJZDNDWUROHQMG-SSZFMOIBSA-N 343.386 4.037 50 40 EIGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(Br)c1 6586172 DLVOQQBBGZSQMK-HAIRLQBDSA-N 347.256 4.051 50 40 EIGB N#C/C(=C(\N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F 100383311 JLOXTZFYJNCPIS-SQFISAMPSA-N 335.354 4.231 50 40 EIGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408586987 DJSMYHCMTJPJPY-YDZHTSKRSA-N 349.409 4.306 50 40 EIGB Cc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 408598554 DGFXNEJCYVYHRU-MDWZMJQESA-N 336.376 4.436 50 40 EIGB C/C(=N\NC(=O)CSCCc1ccccc1)c1ccc(Cl)cc1 408728229 XJHQXKCCDOJBRB-XSFVSMFZSA-N 346.883 4.156 50 40 EIGB COCCCNC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12 408801765 BMOUCYNHNWTSJN-NBVRZTHBSA-N 344.414 4.053 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc12 408807969 LVEYZSHDSWNEDE-IRRAEJQJSA-N 348.446 4.450 50 40 EIGB Cc1ccc(SCC(=O)N/N=C/c2cccc3ccccc23)cc1 8515356 OTLKFRZGHGUVNC-FYJGNVAPSA-N 334.444 4.391 50 40 EIGB COc1ccc(-c2nc(/C=C(\C#N)C(=O)C(C)(C)C)cs2)cc1 17699983 MIPSEFDPPQWAIF-UKTHLTGXSA-N 326.421 4.341 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)[C@@H](C)Sc1ccccc1 408786068 KZZYFLOFLSYFTJ-MURKYSCBSA-N 326.465 4.292 50 40 EIGB N#C/C(=C\c1ccc(O)c(I)c1)c1ccccc1 408965327 VUJYYMSDSCCZTB-MDWZMJQESA-N 347.155 4.061 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)[C@@H](C)SCc1ccccc1 5370437 SFVFSKPYOPPMCV-GFXBCDTMSA-N 340.492 4.433 50 40 EIGB Cc1ccc(CSCC(=O)N/N=C/c2ccccc2Cl)cc1 59473005 GOBGXOLSUKLCEU-VXLYETTFSA-N 332.856 4.032 50 40 EIGB COc1ccc(C(=O)N/N=C/c2sc3ccccc3c2Cl)cc1 3212430 QOYRTLYZWORKKJ-VXLYETTFSA-N 344.823 4.327 50 40 EIGB COc1ccc2cc(/C=C(\C#N)C(=O)NCc3ccccc3)ccc2c1 5068992 TVNDENGFTQDQHQ-UDWIEESQSA-N 342.398 4.072 50 40 EIGB CCCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OC 6907375 ULIYOIDQVYFSTQ-VBKFSLOCSA-N 347.418 4.435 50 40 EIGB C[C@@H]1CCC/C(=N\NC(=O)CSc2nc3ccccc3s2)C1 34913520 LANVBLIQYVMIPA-UCXYNXEWSA-N 333.482 4.071 50 40 EIGB O=C(N/N=C\c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 35341196 AQBZLQDVEOQDDH-UKWGHVSLSA-N 326.705 4.123 50 40 EIGB O=[N+]([O-])c1ccccc1S[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1Br 100474955 KKOQEMZGKXRRQE-WTTBSCSTSA-N 328.231 4.249 50 40 EIGB COc1ccc(CCCC(=O)N/N=C/C=C/c2ccccc2)cc1C 2177123 VTRQNHVBVCAORP-LFQLOTNQSA-N 336.435 4.142 50 40 EIGB CC1=C(C#N)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1 3186416 CHSSTONFNLTDCP-MRXNPFEDSA-N 332.325 4.197 50 40 EIGB COc1ccc2c(c1)Cc1cc(NC(=O)N(CCCl)N=O)ccc1-2 5080400 IOBLDESBXJNKHB-UHFFFAOYSA-N 345.786 4.021 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(C(=O)O)cc1 33579896 ZZHBOBLWCQWKMF-BOPFTXTBSA-N 336.366 4.188 50 40 EIGB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1OO3 101983383 IQKPNFFLSFPURG-ANOHPKFUSA-N 334.456 4.349 50 40 EIGB biogenic,in-vitro N#C/C(=C/c1ccccc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 208350126 QFZSFKYBQBQHQI-XFFZJAGNSA-N 333.174 4.245 50 40 EIGB CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)[C@@H]2c1cccnc1 5261176 JLSKOVJJLIADFQ-HXUWFJFHSA-N 349.434 4.128 50 40 EIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1ccc(C(=O)O)cc1 4748606 QHEJBOQTLZEUHM-RGEXLXHISA-N 332.403 4.439 50 40 EIGB COc1ccc(/C(C=O)=C(/Cl)c2ccc(OC)c(OC)c2)cc1 17176452 FZIJEPNWFRYEPN-OBGWFSINSA-N 332.783 4.018 50 40 EIGB O=C(Cc1ccc(F)cc1)N/N=C\c1cccc(Oc2ccccc2)c1 36223985 ZUENOWIQVQEIOU-HAHDFKILSA-N 348.377 4.311 50 40 EIGB O=C(Cc1ccc(Cl)cc1)NNc1ccccc1C(F)(F)F 45481020 JFHUZRRCPMLPJX-UHFFFAOYSA-N 328.721 4.045 50 40 EIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(CC)CC)o1 408822794 MDMMUFSARUWGMC-SSZFMOIBSA-N 337.423 4.234 50 40 EIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccccc2Cl)cc1 409139081 MCRFTMKKCGIUAZ-MDBUFAAASA-N 332.856 4.279 50 40 EIGB Br[C@H]1CSc2nc3ccccc3n2[C@@H]1c1ccccc1 4115826 XZVHYPKKENGTGN-SWLSCSKDSA-N 345.265 4.495 50 40 EIGB Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc(C)c1O 107770053 UPIMGGHMXWLPPC-AWQFTUOYSA-N 342.782 4.173 50 40 EIGB N#C/C(=C/c1ccccc1F)C(=O)Nc1ccc(Br)cc1 408745896 WGPWESOKYNSBMN-XFXZXTDPSA-N 345.171 4.134 50 40 EIGB O=C(CCl)c1ccc(CCc2ccc(C(=O)CCl)cc2)cc1 1699476 PLFYTFGQNTXVSH-UHFFFAOYSA-N 335.230 4.315 50 40 EIGB CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)NC(C)C)ccc21 6366626 ZIGRLRULNAGJRA-LFIBNONCSA-N 331.419 4.246 50 40 EIGB Cc1c(Cl)cccc1-c1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)o1 100634288 OKMQDAKXLYAZJP-KPKJPENVSA-N 334.766 4.075 50 40 EIGB O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1cccc(Cl)c1 6220605 AVEVUFKDIXYVHJ-CNHKJKLMSA-N 343.597 4.116 50 40 EIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccc(F)cc2[nH]1 408566213 FHDNICJMAJQIJL-YHYXMXQVSA-N 342.717 4.328 50 40 EIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(Cl)ccc1O 2097542 QEBJMQNLEJSZEJ-CNHKJKLMSA-N 343.597 4.116 50 40 EIGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 3098604 HSFJSDYIVNHJQH-RTWAWAEBSA-N 340.426 4.359 50 40 EIGB CC(/C=C/c1ccco1)=N/NC(=O)COc1ccccc1C(C)(C)C 4610916 MPBGYNGCJYMLAU-IVCLMZBLSA-N 340.423 4.161 50 40 EIGB C[C@@H]1CCc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])cc3)sc2C1 33703005 WOSCIPHMUMEYDC-NASPGAHYSA-N 325.393 4.240 50 40 EIGB O=C(Cc1noc2ccccc12)NN(c1ccccc1)c1ccccc1 48374684 NPYXAYWMYABREJ-UHFFFAOYSA-N 343.386 4.240 50 40 EIGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)O)cc1 408581280 VYAAYGIGPBQNPX-OVCLIPMQSA-N 327.767 4.176 50 40 EIGB CCc1cc(Br)cc2sc(NC(=O)[C@@H](C)Cl)nc12 20132003 VBTGYYGGPCCBPP-ZCFIWIBFSA-N 347.665 4.187 50 40 EIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 44022608 WABVXDQSWXZCNL-GXDHUFHOSA-N 326.783 4.284 50 40 EIGB CCOC(=O)[C@@H](C)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1 97977134 UXBVYXCRZUIZFW-MRVPVSSYSA-N 347.305 4.025 50 40 EIGB C/C(=N\Nc1ccccc1)[C@@H]1C[C@@H]2C=C(C#N)[C@@H]1N2Cc1ccccc1 104097301 XASIBZOKGXKXHB-OVHVTHKGSA-N 342.446 4.197 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1Cl 408785770 BUOAFBSJKJLANW-UVTDQMKNSA-N 332.831 4.095 50 40 EIGB Cn1c(/C(C#N)=C/c2ccc(Br)cc2)nc2ccccc21 3899791 RPRRVGMEMSMBTH-JLHYYAGUSA-N 338.208 4.400 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)[C@H](C)SCc1ccccc1 5362310 SFVFSKPYOPPMCV-QFGIDJEJSA-N 340.492 4.433 50 40 EIGB O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 7141390 COWVNMOMQWZPDD-UHFFFAOYSA-N 341.154 4.050 50 40 EIGB CCCCCCCCCCCC(=O)NNC(=O)c1ccccc1OC 100950181 HAAAXHZIUKZMEE-UHFFFAOYSA-N 348.487 4.377 50 40 EIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl 408800647 QIWKGRVAODZHCI-FMIVXFBMSA-N 344.773 4.342 50 40 EIGB O=C(CCl)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 3885268 SYSPYOPJPIGDEF-UJOSMDQKSA-N 344.798 4.234 50 40 EIGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1 20248296 ZAZPFGAMJZSFGK-YBFXNURJSA-N 336.819 4.112 50 40 EIGB CN1C=CC=C/C1=C\C1=CC(=C(C#N)C#N)C=C(c2ccccc2)O1 27515352 FHXDEABYSOVQSC-CPNJWEJPSA-N 325.371 4.185 50 40 EIGB Cc1occc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 39488395 XFRKKUUEALVCNP-VXLYETTFSA-N 328.755 4.265 50 40 EIGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NC1CC1 7164041 HHPYULYUGYFGPV-JXMROGBWSA-N 347.201 4.439 50 40 EIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Cl 408773540 RINLGKDCVCQBOJ-UVTDQMKNSA-N 326.783 4.284 50 40 EIGB ClCCN(CCCl)c1ccc(C2=NCCc3ccccc32)cc1 1736835 RDMDBLYGUNAKBH-UHFFFAOYSA-N 347.289 4.364 50 40 EIGB Cc1ccsc1/C=N\NC(=O)C(c1ccccc1)c1ccccc1 33580804 SUTDZFLTQZOLIU-STZFKDTASA-N 334.444 4.339 50 40 EIGB N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1ccc(Cl)cc1 59138383 OARKRKWGSNKAEO-QBFSEMIESA-N 341.798 4.079 50 40 EIGB COc1cccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)c1 210661752 NWOULMGWICTDIV-FLIBITNWSA-N 330.746 4.033 50 40 EIGB O=C(N/N=C\c1cccs1)[C@H]1CC1(c1ccccc1)c1ccccc1 5005874 AWKPJNRMECEBNV-MLPWYGTASA-N 346.455 4.204 50 40 EIGB CCOc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3[nH]1)O[C@H](C)C2 6209328 WNTAVBXOFVUYDD-BPKVKKHESA-N 345.402 4.349 50 40 EIGB CCOc1ccc(NC(=O)[C@@H](Br)c2ccccc2)cc1 162617 VPSXKDJHWLAWAL-HNNXBMFYSA-N 334.213 4.160 50 40 EIGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 377694 BWKJCVKPZFMBIN-HXUWFJFHSA-N 333.435 4.094 50 40 EIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(N)c1 5620996 OEWFZBOUDFKROP-KEBDBYFISA-N 343.839 4.291 50 40 EIGB Cc1cc(Br)c2nc(NC(=O)[C@@H](C)Cl)sc2c1C 20131900 PNSVIOPBAXXVMN-SSDOTTSWSA-N 347.665 4.241 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)c(C)c1 59145644 SCUIODUNKYZWII-RIYZIHGNSA-N 326.783 4.208 50 40 EIGB O=C(CBr)c1cc(C(F)(F)F)ccc1Br 96373469 FPIBRCIPQJLSRY-UHFFFAOYSA-N 345.940 4.046 50 40 EIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)c1 28217343 CAHCQGAAHPMLNF-OEAKJJBVSA-N 345.446 4.475 50 40 EIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc(Cl)c1 1020998 FQIKLFBNXORUSW-WSDLNYQXSA-N 334.806 4.356 50 40 EIGB FC(F)(Br)[C@](F)(Cl)CCCCBr 2572591 YUXDDFBZPHVKTN-YFKPBYRVSA-N 332.385 4.444 50 40 EIGB CCCCCC/C(=N\NC(=O)c1cc(O)ccc1O)c1ccccc1 17071248 DMYQXYOPPFFLLA-DYTRJAOYSA-N 340.423 4.202 50 40 EIGB CC(C)(C)[Si](C)(C)OC[C@@H]1CN(Cc2ccccc2)CCC1=O 169743820 WOYQEVXRQBRUAL-KRWDZBQOSA-N 333.548 4.099 50 40 EIGB CC(C)(C)C1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 409373924 ZRHRRTKUSADDKE-GFCCVEGCSA-N 340.279 4.336 50 40 EIGB O=C(Cc1cccs1)N/N=C\c1ccc(-c2ccccc2Cl)o1 4504805 TUOHFZDZADNYPL-ODLFYWEKSA-N 344.823 4.354 50 40 EIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Cl)cc2C)C1 12403980 LWHSCKVQMBRSDC-OSGFXRFRSA-N 346.858 4.432 50 40 EIGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C(\C)c1ccc(F)cc1 15930538 QYIPRQACQDZACR-ORWNMUSCSA-N 347.821 4.210 50 40 EIGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(C)o3)c2)cc1 583033 ZOKOBHKSJHLTAK-LPYMAVHISA-N 348.402 4.239 50 40 EIGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 585161 AJQNGYVLKAXBPP-VXLYETTFSA-N 344.823 4.327 50 40 EIGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(N)=O 1805801 XINIGTPMTDYSQW-VMPITWQZSA-N 340.688 4.011 50 40 EIGB CCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2669614 IVIWJCPEWITDQE-SDNWHVSQSA-N 340.335 4.105 50 40 EIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc3ccccc23)c1C 12844033 JXJWZWQLFPFXTD-YDZHTSKRSA-N 346.430 4.294 50 40 EIGB C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c1C 98053645 HRIHOMUFXJWCPV-WQRHYEAKSA-N 334.419 4.403 50 40 EIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Cl)s1 408968219 XIHADCAWLPIZFK-UWVJOHFNSA-N 346.761 4.113 50 40 EIGB Cn1cc(C(=O)N/N=C/c2cccc3ccccc23)c2ccccc21 524559 DYRNMSKUKXULRG-LPYMAVHISA-N 327.387 4.095 50 40 EIGB O=C(CCCl)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 95946147 GGCCVQCJUGGIAU-CQSZACIVSA-N 337.206 4.240 50 40 EIGB CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C 100004064 BXIQXYOPGBXIEM-UHFFFAOYSA-N 334.453 4.320 50 40 EIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)Cc3ccccc3)cc21 208204625 LHEGHRZPYKAVLC-PFRBSUFTSA-N 349.478 4.101 50 40 EIGB C#CCn1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)c2ccccc21 408581208 VBHQNSKUXJFAHI-SFQUDFHCSA-N 342.398 4.356 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)o3)c2C)c1 408591841 VOMXFELYRDUMIS-CIAFOILYSA-N 335.407 4.068 50 40 EIGB C=CCOc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1 10848348 GWJODGDFYACHSF-XQNSMLJCSA-N 344.414 4.097 50 40 EIGB CCCCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 82374909 YMMIRZXXYKLSPZ-DEDYPNTBSA-N 330.815 4.283 50 40 EIGB CCOc1ccc(NC(=O)[C@H](Br)c2ccccc2)cc1 162615 VPSXKDJHWLAWAL-OAHLLOKOSA-N 334.213 4.160 50 40 EIGB C/C(=N/NC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1 5030614 BNGQSZNVQIYEGK-QNGOZBTKSA-N 334.444 4.498 50 40 EIGB CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846203 PXXUIEJMVKQRMC-HXUWFJFHSA-N 349.434 4.056 50 40 EIGB CCCCC/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 17201689 XKJXHPMFZPPSCC-ZZEZOPTASA-N 339.395 4.309 50 40 EIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc12 33315069 FWQVROMIZAVEFT-SSZFMOIBSA-N 328.371 4.394 50 40 EIGB O=C(COc1cc(Cl)ccc1Cl)NNc1cccc(Cl)c1 58203095 JRPRFNVYFACLSJ-UHFFFAOYSA-N 345.613 4.169 50 40 EIGB N#C/C(C(=O)[C@H](Cl)c1ccccc1)=C1\Nc2ccccc2S1 100389174 SLCFHYQTKOTNNL-UHVIJJLKSA-N 326.808 4.489 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2ccc3ccccc3c2O)cc1Cl 409090592 RNDPMWNYGICWNN-SRZZPIQSSA-N 338.794 4.271 50 40 EIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 3067312 PSVLKMJGVWFLPV-RGVLZGJSSA-N 349.217 4.322 50 40 EIGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1cccs1 4615402 PIWFXUSXWDICKL-RCCKNPSSSA-N 334.444 4.420 50 40 EIGB O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1cccs1 4719790 UCFIAHAALCGCCF-VCHYOVAHSA-N 330.796 4.425 50 40 EIGB C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1 5288533 GAFWEZDOFXNZHO-YBFXNURJSA-N 336.819 4.112 50 40 EIGB CC(C)c1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20791968 XDWWZPIRAZJHNT-UYAOXDASSA-N 342.446 4.404 50 40 EIGB Br[C@@H](c1ccccc1)[C@@H](Br)[n+]1ccccc1 1712256 IJBLPQWDGWUFTG-STQMWFEESA-N 342.054 4.004 50 40 EIGB C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C\[C@@H]1CC=CCC1 13321820 WKIYAWUBZQMQEX-HFAKHUIQSA-N 345.493 4.235 50 40 EIGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccco1 572476 XGPQPEDDBNAKEH-LPYMAVHISA-N 343.386 4.047 50 40 EIGB O[C@@H](CBr)c1ccc(Br)c2ccccc12 1622184 AWFRBCYGBWRNSE-LBPRGKRZSA-N 330.019 4.031 50 40 EIGB COc1ccc(/C=C/C(=O)N/N=C/c2cccc3ccccc23)cc1 9094806 KABRRAMKSJFCQA-NODMLJAHSA-N 330.387 4.012 50 40 EIGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N\NC(=O)c1ccccc1-n1cccc1 229819894 KEPQIIJPMCFSGS-XKUCUHJASA-N 333.435 4.185 50 40 EIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 409362364 JDWYVRBXVXJDIE-XGICHPGQSA-N 328.711 4.041 50 40 EIGB O=C1Oc2ccccc2C(=O)/C1=C1\C=C(c2ccccc2)SS1 1566385 QEGUSOMWJVEWSI-NXVVXOECSA-N 338.409 4.479 50 40 EIGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1 4743218 ZOIVKKFEZVMZBT-WSDLNYQXSA-N 349.777 4.236 50 40 EIGB O=C(NN=C1CCCCCC1)c1cccc(OC(F)(F)C(F)F)c1 6828872 WELBOLJGGQDYST-UHFFFAOYSA-N 346.324 4.363 50 40 EIGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc2ccccc2c1 30702670 XKPCQNMHCBFNSS-MTJSOVHGSA-N 338.794 4.022 50 40 EIGB CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CCCl 1558153 VLGCDWYTYKWQOQ-ZQIUZPCESA-N 337.891 4.278 50 40 EIGB CCO[P@@](=O)(C#CC(C)(C)C)[C@](O)(CCl)c1ccccc1 2320665 IWNCGMNEXLVFHJ-IERDGZPVSA-N 328.776 4.392 50 40 EIGB CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 2669694 UXJNYVPLBNNEQM-GMCKNXKJSA-N 340.335 4.103 50 40 EIGB O=C1Oc2ccccc2C(=O)/C1=C1/C=C(c2ccccc2)SS1 17107051 QEGUSOMWJVEWSI-FOCLMDBBSA-N 338.409 4.479 50 40 EIGB O=C(N/N=C/c1c(F)cccc1Cl)c1cc(F)c(F)cc1Cl 59461500 KWEKIGVUPZUSCE-CGOBSMCZSA-N 347.123 4.175 50 40 EIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)cc2)c1 564547 NGOWXSPPUKGHIX-XMHGGMMESA-N 345.446 4.449 50 40 EIGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(Br)c1 6587594 DLVOQQBBGZSQMK-BMKJPTANSA-N 347.256 4.051 50 40 EIGB CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846210 WGYQIDDSNVTPEE-FQEVSTJZSA-N 349.434 4.056 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)c1 59133266 RMKUNNPTYAXWMU-JYRVWZFOSA-N 341.754 4.102 50 40 EIGB O=C(N[C@@H](SCc1ccccc1)C(Cl)Cl)c1ccccc1 98047971 BNVXOTCDMREZAB-INIZCTEOSA-N 340.275 4.480 50 40 EIGB CCOc1ccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc1 12980694 MFNHIJKORYFKFE-WEVVVXLNSA-N 330.811 4.468 50 40 EIGB O=C(COc1ccc2ccccc2c1)N/N=C\c1ccccc1Cl 32111957 NEKNDWSVDDPRQT-MTJSOVHGSA-N 338.794 4.022 50 40 EIGB O[C@H]1Cc2ccccc2/C(=C/CCBr)c2ccccc21 38483379 KNGHLHQCMDBTQE-BXBOZWQASA-N 329.237 4.493 50 40 EIGB in-vitro O=C(Nc1ccc2c(c1)OCO2)NN(c1ccccc1)c1ccccc1 54376719 SMNZRZYABAWWCH-UHFFFAOYSA-N 347.374 4.290 50 40 EIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OC 408567043 CLVJFJIYQPYSAJ-JYRVWZFOSA-N 337.354 4.173 50 40 EIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(Cl)cc1 31113 VCWACNPRLMUDQI-WSDLNYQXSA-N 337.810 4.055 50 40 EIGB CCO[P@](=O)(C#CC(C)(C)C)[C@@](O)(CCl)c1ccccc1 2320664 IWNCGMNEXLVFHJ-HRAATJIYSA-N 328.776 4.392 50 40 EIGB C/C(=N/NC(=O)COc1cccc(Cl)c1)c1ccc(C(C)C)cc1 4724117 MTPPAYIRYOGYAN-STZFKDTASA-N 344.842 4.383 50 40 EIGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 8755362 DDVMBKTUYZCWMD-UHFFFAOYSA-N 348.246 4.481 50 40 EIGB N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)c1ccc(F)cc1 53106366 RZRBWSJXZWYWLU-YVLHZVERSA-N 329.334 4.073 50 40 EIGB COC(/C=C/Nc1ccc(OCc2ccccc2)cc1)=C(C#N)C#N 1387794 JMMXWQNXWJXRTE-VAWYXSNFSA-N 331.375 4.139 50 40 EIGB CC(C)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 20248516 KCDHJWGJTUUSFY-NPRIEWAGSA-N 326.465 4.441 50 40 EIGB N#CC(NC(=O)C(c1ccccc1)c1ccccc1)=C(Cl)Cl 27562276 WQKSKHOJAODFJW-UHFFFAOYSA-N 331.202 4.105 50 40 EIGB CC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2ccc3ccccc3c2O1 36612543 GPJQDPZTBMCNIY-HXUWFJFHSA-N 340.382 4.235 50 40 EIGB Cn1c(=O)c(/C=C(\C#N)c2nc3ccccc3s2)cc2ccccc21 36625731 MKHDIYNTEPAIKV-RVDMUPIBSA-N 343.411 4.212 50 40 EIGB CC1(C)CC(=O)C/C(=N\NC(=O)c2sc3ccccc3c2Cl)C1 100006514 VWGWIYWIQHZSBU-VXLYETTFSA-N 348.855 4.420 50 40 EIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl 408880072 GXCSATZVYQMTQT-GXDHUFHOSA-N 326.783 4.203 50 40 EIGB CCOC(=O)Cn1cc(/C=C(/C#N)c2ccccc2)c2ccccc21 409366812 YSBPYDWWWJLSPM-ATVHPVEESA-N 330.387 4.269 50 40 EIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1 3206216 ISZXWLRVRSLQJQ-DTQAZKPQSA-N 343.386 4.179 50 40 EIGB N#C/C(=C\c1ccc(-c2ccc(C#N)cc2)o1)C(=O)NC1CCCCC1 4616741 QPNLYJKSQQIUDT-SFQUDFHCSA-N 345.402 4.174 50 40 EIGB CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(Cl)c1O 7007326 XDBVRWJKMXASRQ-RIYZIHGNSA-N 327.767 4.234 50 40 EIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12 20248837 UBYSOCGPYDWIKV-HBBMIWKISA-N 334.444 4.471 50 40 EIGB N#C/C(=C\Nc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1 57414012 FOLQVGJNMYRFKN-ZHACJKMWSA-N 332.190 4.451 50 40 EIGB O=C(N/N=C/c1ccccn1)c1ccc(CSc2ccccc2)cc1 382106 GSSYUGCCPUGPQD-HYARGMPZSA-N 347.443 4.138 50 40 EIGB N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 531685 QKJWLOOZLPEIPJ-VAWYXSNFSA-N 335.388 4.044 50 40 EIGB CC(C)(C)N(C=C(Cl)Cl)C(=O)N/N=C/c1ccccc1F 3664513 DZGWRPHXJJYRTM-QGMBQPNBSA-N 332.206 4.246 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)CSCc1ccccc1 20248773 AYMBPPQWJVKHPF-CAPFRKAQSA-N 326.465 4.045 50 40 EIGB CCN1C=CC=C/C1=C(/C#N)c1nc(-c2ccccc2OC)cs1 102923592 IIXSGWZAANRLKQ-BMRADRMJSA-N 335.432 4.459 50 40 EIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1cc(C)ccc1C 408592081 XKZAQKCLRAVWSC-CPNJWEJPSA-N 345.240 4.220 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)c1C 408887525 PAYPNPHBOVNNOR-RIYZIHGNSA-N 326.783 4.208 50 40 EIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1 7210386 PXJDEUFGWUBUPW-MDWZMJQESA-N 341.754 4.102 50 40 EIGB O=C(CCl)Nc1ccc(Oc2ccc(Br)cc2)cc1 9256664 MPWWBEFBRKTSIC-UHFFFAOYSA-N 340.604 4.419 50 40 EIGB C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)ccc2O1 15453061 YXRKHIHGXDHPIV-ZENNRRHLSA-N 338.794 4.209 50 40 EIGB CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 101936147 MJFBQLBQZYNBSC-INIZCTEOSA-N 340.404 4.048 50 40 EIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1F 408814709 GKBKNXQMJQWMCI-UKTHLTGXSA-N 344.773 4.423 50 40 EIGB Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1 408856961 MAHASBXWYNZKHZ-BKUYFWCQSA-N 341.842 4.013 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1C(C)(C)C 409376662 CIJCLYLHQRKJIG-WJDWOHSUSA-N 337.423 4.111 50 40 EIGB O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccc1Cl 223449 NEKNDWSVDDPRQT-CIAFOILYSA-N 338.794 4.022 50 40 EIGB O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc2ccccc2c1O 17070479 YWALGFSZFXURLH-UHFFFAOYSA-N 334.419 4.087 50 40 EIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)n(C)c2ccccc12 408746073 XCDCFMSTGLOACD-VBKFSLOCSA-N 329.403 4.341 50 40 EIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C 408802343 ZHMGBPGGWRQJRH-UZUMKDMXSA-N 335.451 4.224 50 40 EIGB CCCCCCC[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 2060130 PUXJPHTVVOAKBG-CYBMUJFWSA-N 338.407 4.323 50 40 EIGB COc1ccc(C(=O)N/N=C(\C)c2cccc3ccccc23)cc1OC 5860639 FVWXQIWMMNDRAM-HYARGMPZSA-N 348.402 4.011 50 40 EIGB CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 3355227 HNDOEILWXPDMPV-MHWRWJLKSA-N 335.363 4.011 50 40 EIGB C/C(NNC(=O)c1ccc(C(C)(C)C)cc1)=C(/C#N)c1ccccc1 4618956 ALXZKHJDFUXJPV-XDJHFCHBSA-N 333.435 4.173 50 40 EIGB CCOC(=O)[C@H](C#N)C1=C(C(SC)=C(C#N)C#N)CCCCCC1 5473391 LKRPIRJZESOCHF-MRXNPFEDSA-N 343.452 4.004 50 40 EIGB CC(C)(C)OC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 6313437 UQLITUZKLMAWQF-DEDYPNTBSA-N 326.396 4.124 50 40 EIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1nc2ccccc2s1 13570172 QXFKRLJQOHRDOB-FMIVXFBMSA-N 344.399 4.323 50 40 EIGB CC(C)(C)CC(C)(C)NC(=O)[C@H](Br)c1ccccc1 3131880 KVWSMLXTFPZZAX-CYBMUJFWSA-N 326.278 4.454 50 40 EIGB C/C(=N\NC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 4587705 OTJQQUIRFGDVJK-HAVVHWLPSA-N 344.414 4.273 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c(Cl)c1 9190576 KDYZGODIOBTBNQ-SRZZPIQSSA-N 338.794 4.271 50 40 EIGB COc1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc(OC)c1 22958581 OLIASALEBYNSCN-LFYBBSHMSA-N 334.297 4.182 50 40 EIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccccc1F 33741417 GIADFEZHRCVOHY-VZUCSPMQSA-N 346.155 4.381 50 40 EIGB Cc1cc(C)c2c3c(sc2n1)C1(CCC(C)CC1)C(C#N)=C(N)O3 4869591 WXERIFGDPCQEIR-UHFFFAOYSA-N 339.464 4.447 50 40 EIGB N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 40139997 ZMBQWQQSDVCGRA-AUWJEWJLSA-N 331.762 4.483 50 40 EIGB O=P(c1ccccc1)(c1ccccc1)c1ccccc1C(F)(F)F 95611988 YGWFTNJHJHEIMK-UHFFFAOYSA-N 346.288 4.345 50 40 EIGB Cc1ccc(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 5928215 LPKCDLUPUNTLDU-ZMSUCUHFSA-N 325.239 4.036 50 40 EIGB COc1cc2c(cc1/C=C(/C#N)C(=O)c1sccc1C)O[C@@H](C)C2 44028361 KEZKERBTWFRCML-CUTJPZLCSA-N 339.416 4.178 50 40 EIGB C[Si](C)(C)O[C@@]1(C(F)(F)F)CCc2cc3c(c(N)c21)CCC3 2113474290 GMFKQLFFYRVVNY-HNNXBMFYSA-N 329.438 4.313 50 40 EIGB O=C(NN=C1c2ccccc2-c2ccccc21)c1cccc2cc[nH]c12 550322 RXWWHQAAUNSWLS-UHFFFAOYSA-N 337.382 4.331 50 40 EIGB N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1 1905662 UECKJSCZIPFEQC-GZTJUZNOSA-N 345.427 4.280 50 40 EIGB CC(C)c1cccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)c1 38654586 VAEGWIXVYQXRRN-UHFFFAOYSA-N 342.395 4.239 50 40 EIGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\C=C\c2ccco2)cc1 5284339 RXKHWNZQQKYXPG-LUFQCUNZSA-N 336.435 4.496 50 40 EIGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1O 5515423 JZIHLHVEKQYTQY-MKFNJMOCSA-N 348.855 4.067 50 40 EIGB COc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1NC(=O)CCl 216860209 OSKGCGIATIDEMC-UHFFFAOYSA-N 344.798 4.298 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C 409221679 UQNUTOYIKGINIA-ZSOIEALJSA-N 347.340 4.206 50 40 EIGB COc1ccc(NC(=O)[C@H](Sc2ccccc2)[C@@H](C)Cl)cc1 4843866 XCJAXCVCSNMOHY-MLGOLLRUSA-N 335.856 4.422 50 40 EIGB Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1C(C)C 8812493 IIGLIEDDOFBWCH-WSDLNYQXSA-N 337.398 4.434 50 40 EIGB CCCCCCCC(=O)N/N=C/c1cccc(Br)c1 100937080 ZWSCZTRXUOMRTG-SFQUDFHCSA-N 325.250 4.260 50 40 EIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)c1 213903237 ZJTAUQMBKDDXPG-FLIBITNWSA-N 347.237 4.365 50 40 EIGB CCC(CC)=NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 4866959 JAWKJEHVGHVAGB-UHFFFAOYSA-N 332.407 4.203 50 40 EIGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccccc1 7155815 LRWCHNPUSGCRLD-NTEUORMPSA-N 342.192 4.248 50 40 EIGB Cc1ccc(SCC(=O)N/N=C/c2c(F)cccc2Cl)cc1 8515384 AIHSRTLZUVQQGI-DJKKODMXSA-N 336.819 4.030 50 40 EIGB Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CCCCCC2)c1Cl 21841832 KGVJPHKPMQZKEW-UHFFFAOYSA-N 349.649 4.064 50 40 EIGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1O 33557085 DPMLAHUQABGEHC-SXGWCWSVSA-N 336.347 4.102 50 40 EIGB C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc(Cl)cc1 408779070 QESCMOQXUWGFAN-XSFVSMFZSA-N 346.883 4.422 50 40 EIGB COC(=O)CCCCCCCCCCN(CCCl)CCCl 5353067 HQJYJFAANOMRPN-UHFFFAOYSA-N 340.335 4.450 50 40 EIGB O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)OCCO2 20888595 RMMQCNXVVGBDOP-ZDUSSCGKSA-N 339.482 4.110 50 40 EIGB O=C(CN(/N=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1 35999545 LVYAMOHYCZVJNH-KQWNVCNZSA-N 342.398 4.046 50 40 EIGB O=C(NNc1ccc(F)cc1F)c1cc(F)c(Cl)cc1Cl 65624257 CRQKBIGLEQOTQW-UHFFFAOYSA-N 335.112 4.168 50 40 EIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cccs3)cc21 208201412 DWVNJIUYNRSYAR-UAAGNOOKSA-N 341.480 4.234 50 40 EIGB C=C(C)C(=O)N[N+](C)(C)C[C@@H](O)CCCCCCCCCCCC 95777423 HQJIDJCCPDGJCZ-IBGZPJMESA-O 341.560 4.342 50 40 EIGB Cn1c(/C(C#N)=C/c2ccc(Cl)s2)nnc1-c1ccccc1 96310754 QGHCXWLOIRNGGI-FMIVXFBMSA-N 326.812 4.261 50 40 EIGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Cl)c1O 408691516 BODUUZRSNFIUQD-MLPAPPSSSA-N 339.782 4.011 50 40 EIGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc2ccccc2c1 4587709 NLGCAEQYSJJAMV-LBYVYJTISA-N 328.415 4.484 50 40 EIGB CCOC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)c2ccccc12 5006202 XXUZYCANKWASQU-ATVHPVEESA-N 330.387 4.160 50 40 EIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 33692437 YTDBXIFDPKPWJO-SDQBBNPISA-N 329.699 4.221 50 40 EIGB Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)NC(C)C)cc1 59133232 LSFTYQGWQLSICO-UNOMPAQXSA-N 334.419 4.006 50 40 EIGB Cc1ccsc1/C=N/NC(=O)C1c2ccccc2Oc2ccccc21 71335804 IWYBDJDJLOCBHO-CIAFOILYSA-N 348.427 4.444 50 40 EIGB O=C(NCCBr)c1ccc(/N=N\c2ccccc2)cc1 104141815 ZBCKKGZHAGVDDR-HNENSFHCSA-N 332.201 4.227 50 40 EIGB C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c1 408940824 VGBFKQSQUVGBQQ-LGMDPLHJSA-N 348.402 4.196 50 40 EIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NC2CCCC2)c(C)c1 409191504 XSXVLXXIVCUPRL-LGMDPLHJSA-N 333.435 4.060 50 40 EIGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc(C(C)(C)C)cc1 354674 FLCNUJHYCSLIKO-CJLVFECKSA-N 338.451 4.212 50 40 EIGB C[C@@H](/C=N/NC(=O)c1ccccc1O)Cc1ccc(C(C)(C)C)cc1 4091395 ZYPNYVXGZUYXTK-QQHUYRGFSA-N 338.451 4.284 50 40 EIGB C/C(=N/NC(=O)COc1cc(C)cc(C)c1)c1ccc(C(C)C)cc1 12362578 YSMYBBBJLLXZNP-XLNRJJMWSA-N 338.451 4.346 50 40 EIGB CCCOc1ccccc1/C(C)=N/NC(=O)Cc1ccc(C)cc1C 20195478 MNMZSNGXVIPLLQ-OQKWZONESA-N 338.451 4.175 50 40 EIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Cl)c(C)c1 20195518 HUEHQPFSFWXFNV-RCCKNPSSSA-N 328.843 4.348 50 40 EIGB O=C(N/N=C\c1cccs1)c1cc2cc(Br)ccc2o1 33328421 FEVODYPKNPYQOH-PXNMLYILSA-N 349.209 4.021 50 40 EIGB CCOc1ccc2oc(C(=O)N/N=C\C(C)=C\c3ccco3)cc2c1 35131421 NKFFSHKZAGWDCA-CHDQIACXSA-N 338.363 4.244 50 40 EIGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(C)cc1 408720156 UTOKPUAAWAVNKP-XSFVSMFZSA-N 346.883 4.422 50 40 EIGB O=P(c1ccccc1)(c1ccccc1)[C@H](O)/C=C/c1ccccc1 159131 ZFUGWECZPUGMDF-PQORCFSTSA-N 334.355 4.032 50 40 EIGB Cc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1 307918 RGFADXWLNILIEQ-HZHRSRAPSA-N 344.414 4.191 50 40 EIGB N#C/C(=C\c1ccccc1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 3222582 YZCRQVQRIDLTNS-XNTDXEJSSA-N 349.390 4.495 50 40 EIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1 3225931 DIISCBBAJQPZSX-SAPNQHFASA-N 349.434 4.087 50 40 EIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3)cc21 208207050 UVGVDWBNYPNUMR-WXUSHSQQSA-N 335.451 4.173 50 40 EIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccccc1 409366781 YCVBRYDJOUSUMY-AWNIVKPZSA-N 328.165 4.242 50 40 EIGB FC(F)(F)C(F)(F)[C@@H]1CCCC[C@H]1I 2386418 DSLYPUILDQBYTC-PHDIDXHHSA-N 328.062 4.178 50 40 EIGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1ccccn1 5128560 ALUBFGMGXGXWET-JLHYYAGUSA-N 338.773 4.432 50 40 EIGB C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C\[C@H]1CC=CCC1 13321814 WKIYAWUBZQMQEX-NLKYIXICSA-N 345.493 4.235 50 40 EIGB Cc1cccc(C)c1NC(=O)[C@H](Br)CCCCCl 100118250 ZLXFVIFDOSZPJI-GFCCVEGCSA-N 332.669 4.415 50 40 EIGB CCOC(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C 2251392 LKDMNZNFBPXGEI-FYJGNVAPSA-N 335.407 4.327 50 40 EIGB C[PH](Cc1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1 104141032 DAHYBJIEGTZLAP-UHFFFAOYSA-N 337.359 4.126 50 40 EIGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1C(C)C 211461019 TVVUWIBLHQKYCB-SDLDRHLBSA-N 335.451 4.470 50 40 EIGB Cc1cc(NC(=O)N/N=C\c2ccccc2C)ccc1Br 408905204 VCQOESDIIHRLMU-ZDLGFXPLSA-N 346.228 4.222 50 40 EIGB Cn1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc21 409259090 XINOBCLWIYYMCD-OEAKJJBVSA-N 347.462 4.169 50 40 EIGB Cc1cc2sc(NC(=O)CCCCl)nc2cc1Br 20133555 FZGJCTCZSVLAIP-UHFFFAOYSA-N 347.665 4.325 50 40 EIGB O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=C[C@H]2CC[C@H]3CC[C@H]1[C@H]23 101138899 WWXZTUHOBSOXQW-GHVWTTSJSA-N 329.352 4.101 50 40 EIGB CCCCCCCC(=O)N/N=C/c1cc(Cl)c(O)c2ncccc12 103745654 PGFUJOIZFAPRKP-CIAFOILYSA-N 347.846 4.404 50 40 EIGB CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1 222139146 GQDIWGTYWRXGAZ-WJDWOHSUSA-N 341.794 4.346 50 40 EIGB CC(C)[C@]12C=C3CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@]3(CC1)OO2 49745746 OOHFJWCHEFCJDC-ZMHJYQQXSA-N 334.456 4.493 50 40 EIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(C)c(C)c1C 58927803 KHOXKUMGXGQDPG-SRZZPIQSSA-N 340.492 4.304 50 40 EIGB Cc1c(Cl)cccc1-c1ccc(/C=N/NC(=O)c2cccnc2)o1 408974820 FCUBFPUQVNVOIK-SRZZPIQSSA-N 339.782 4.067 50 40 EIGB N#C/C(=C\c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 150692 QTMBRKOTGPOWPS-NTEUORMPSA-N 338.215 4.332 50 40 EIGB CC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccccc1O 5633741 UMZQWTDJZHDKHB-ZBJSNUHESA-N 332.403 4.018 50 40 EIGB COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OC(F)F 7141282 NAWWVBJQCYPERI-NTEUORMPSA-N 329.302 4.086 50 40 EIGB O=C(CCl)Nc1ccc2nc(SCc3ccccn3)sc2c1 59417555 MITRVGBARAJWAB-UHFFFAOYSA-N 349.868 4.161 50 40 EIGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1ccccc1Cl)C2 101642064 DEHPARDGRYCXOL-SIMNMAIHSA-N 334.847 4.037 50 40 EIGB N#C/C(=C/c1cccc(Br)c1)c1ccc(C(=O)O)cc1 408545546 ZSKWSFPRLOTVIL-ZSOIEALJSA-N 328.165 4.211 50 40 EIGB O=C(NNc1nc2ccccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 16500409 ZLGKXELSPYGDSX-UHFFFAOYSA-N 336.182 4.018 50 40 EIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(F)cc1 36174344 ODGRDARGVGUWLL-LPYMAVHISA-N 336.366 4.142 50 40 EIGB COc1cc(C)c(/C=N/NC(=O)c2cccc(F)c2)cc1C(C)C 59147236 QTFZNLAYRCZGSF-SRZZPIQSSA-N 328.387 4.030 50 40 EIGB CC[C@@H]1CCC2=C(C#N)C(=C(C#N)C#N)NC(c3ccccc3)=C2C1 170622700 NRAHPDNPULCQIL-CQSZACIVSA-N 326.403 4.332 50 40 EIGB N#CSCC(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 216855830 PXXQANYHMIXQQX-UHFFFAOYSA-N 343.795 4.301 50 40 EIGB C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1cccc(Cl)c1 408599090 OPBDBLRBSNJMOO-DHDCSXOGSA-N 338.750 4.324 50 40 EIGB CC(C)[C@@H](Br)C(=O)Nc1cc(Cl)ccc1Cl 19475375 AOFVNUQREPGTSD-SNVBAGLBSA-N 325.033 4.351 50 40 EIGB CC(=O)c1c(C)[nH]c(-c2csc(/C(C#N)=C\c3ccc[nH]3)n2)c1C 96931090 IGAJILIMJBHIFO-QPEQYQDCSA-N 336.420 4.350 50 40 EIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(CC)c2C)c1 409064339 GRZNSUKVNFLJGI-BOPFTXTBSA-N 337.423 4.069 50 40 EIGB CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccsc2)cc1 137799 REYIWBVKQMEKHM-HIPSJFSSSA-N 330.453 4.181 50 40 EIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1Cl 342521 LSRTUZTVPSUKEM-SRZZPIQSSA-N 339.782 4.067 50 40 EIGB CSc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 58915914 DHZNWPAYTTWRPX-BXUJETTOSA-N 344.505 4.181 50 40 EIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 216064625 YMDXOFZPPKMJBX-DEDYPNTBSA-N 330.815 4.283 50 40 EIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(C)c(C)c1 408567777 PSNQKFPEVLUDHG-CIAFOILYSA-N 344.842 4.048 50 40 EIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Cl)cc3)cc2c1 409188356 YLDMHLTVHQNMJO-JAIQZWGSSA-N 342.782 4.249 50 40 EIGB Cc1cc(O)ccc1N/C=C(/C#N)c1nc2cc(Cl)ccc2o1 5336864 CSTMFQMXYMTAAV-LUAWRHEFSA-N 325.755 4.472 50 40 EIGB N#C/C(=C/c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 6321436 LNPLWRDFBWVQPV-QPEQYQDCSA-N 329.153 4.421 50 40 EIGB COC(=O)/C(C#N)=C/c1sc(Sc2ccccc2)nc1Cl 32925456 JSBXDWFLFLIMON-VQHVLOKHSA-N 336.825 4.028 50 40 EIGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 36047385 NXQADOWDCAILHS-ZSOIEALJSA-N 349.371 4.488 50 40 EIGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1 408527207 BHLWPOHBFNEQGQ-MOSHPQCFSA-N 330.815 4.283 50 40 EIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1cccc(F)c1 409393782 SCVCQHCBPHVYKP-VBKFSLOCSA-N 332.334 4.379 50 40 EIGB CCCC[C@@H](CC)COC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 22112565 KMOLKUNBVGJJIE-QAEAHILHSA-N 345.439 4.370 50 40 EIGB Cc1c(/C=C(/C#N)C(N)=S)c2ccccc2n1Cc1ccccc1F 408541486 BIZHVIRNRBILAN-GDNBJRDFSA-N 349.434 4.330 50 40 EIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1 408735321 QOQCZKPSYQRXDD-NTEUORMPSA-N 326.783 4.203 50 40 EIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccccc2)cc1 408859992 WVCUPFATACRDOE-PEZBUJJGSA-N 343.386 4.032 50 40 EIGB CCCCCCCCC(=O)N/N=C(\CCC(=O)O)c1ccccc1 8385214 GLGNVRGKBOAJOT-LVZFUZTISA-N 332.444 4.122 50 40 EIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 15222068 IJQVDVUYNNDZFR-VKAVYKQESA-N 349.434 4.087 50 40 EIGB C=C[C@H]([C@@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 98175052 HMCMBOCVODEDFP-YADHBBJMSA-N 348.382 4.289 50 40 EIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 207811 XUPABQQFPKXZNG-SDNWHVSQSA-N 331.375 4.112 50 40 EIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc2c(c1)CCC2 1596988 FSLFNUDEOZCNQI-HZHRSRAPSA-N 328.415 4.021 50 40 EIGB ClCCn1cnc2c(SCc3ccccc3Cl)ncnc21 1689446 JIVHOWFJTJBYTK-UHFFFAOYSA-N 339.251 4.011 50 40 EIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 20583516 IBNWRIOZMUROFO-CAPFRKAQSA-N 348.446 4.131 50 40 EIGB FC(F)(F)Oc1ccc(CBr)cc1Br 118415692 ASBQNYQKPRULDG-UHFFFAOYSA-N 333.929 4.243 50 40 EIGB O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2 252512349 PMGDBNIUBJQKNU-GQJXAQPLSA-N 340.305 4.025 50 40 EIGB C/C(=N/NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1O 16136847 IOWHLWDABQTZKR-UNOMPAQXSA-N 348.855 4.068 50 40 EIGB C/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc(C(C)(C)C)cc1 59047 VNOMMXUSEKNCIR-XQNSMLJCSA-N 337.467 4.245 50 40 EIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 7210436 KODFVUHQWFORBH-NTEUORMPSA-N 326.783 4.203 50 40 EIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1 59533444 AYJJLUKWOGWMAH-FMIVXFBMSA-N 345.196 4.150 50 40 EIGB O=C(N/N=C\c1ccc(Cl)cc1)c1ccccc1C(F)(F)F 408785480 ZMKYLBDBYNPALA-UKWGHVSLSA-N 326.705 4.123 50 40 EIGB CCCCCCCC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21 2223850 NLQDWUFFAQUSBW-DYVFJYSZSA-N 343.471 4.240 50 40 EIGB CCOc1ccc(/C(C)=N/NC(=O)c2cc3ccccc3cc2O)cc1 6047924 BEYDKXVFKKKVMU-HYARGMPZSA-N 348.402 4.098 50 40 EIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)cc1Cl 408734523 HJMKUMBTWHIDOZ-MDWZMJQESA-N 341.754 4.102 50 40 EIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 7210384 VLNQZJKOFBVCDL-NTUHNPAUSA-N 341.754 4.102 50 40 EIGB COc1cc([C@H]2C(C#N)=C(SC)N=C3CCCC(O)=C32)ccc1O 101735566 MEYKSOIAIKVYAV-INIZCTEOSA-N 342.420 4.033 50 40 EIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1Cl 308024 RNSRVSGBEWZUIQ-DJKKODMXSA-N 341.625 4.340 50 40 EIGB O=[N+]([O-])c1ccc(S[C@@H]2[C@@H](Cl)[C@H]3C=C[C@H]2CC3)c([N+](=O)[O-])c1 100013001 DLPPCOIUXKIEMT-WBRVRECLSA-N 340.788 4.167 50 40 EIGB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 108369972 PMGDBNIUBJQKNU-FUAJKEFHSA-N 340.305 4.025 50 40 EIGB CC(/C=N/NC(=O)c1ccc(OCC(C)C)cc1)=C\c1ccco1 2755363 DHMVXSVXXODBOZ-KFURHSOJSA-N 326.396 4.134 50 40 EIGB C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1cc2ccccc2o1 4863619 KOCQKRXQGQMNMU-PXLXIMEGSA-N 343.386 4.378 50 40 EIGB Cc1cc(Br)c2nc(NC(=O)CCCCl)sc2c1 20133549 UTJXQESBLWLDEG-UHFFFAOYSA-N 347.665 4.325 50 40 EIGB Cc1ccccc1CN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 98181647 YXBVZUDSHDRONY-UHFFFAOYSA-N 336.432 4.172 50 40 EIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc2ccccc2c1 408763013 DHMQZUNHEUXUBQ-LDADJPATSA-N 328.371 4.394 50 40 EIGB COc1ccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)cc1 33301443 PQSNMSBLVJRBHX-QINSGFPZSA-N 344.370 4.100 50 40 EIGB N#C/C(=C(/O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 102501538 PEMUGHJIHGUASW-SSZFMOIBSA-N 325.755 4.088 50 40 EIGB O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccc(Cl)cc1 159099 SDGVOLSRGYXYSM-IBGZPJMESA-N 342.762 4.345 50 40 EIGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(Cl)s1 369644 AIYOSZSTSJWQRN-KEBDBYFISA-N 343.839 4.117 50 40 EIGB N#C/C(=C\c1ccccc1F)C(=O)Nc1cccc(Br)c1 448704 GITGUKAFZPLUOC-XYOKQWHBSA-N 345.171 4.134 50 40 EIGB N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 5215075 AMINHIDYRFBFCH-YRNVUSSQSA-N 333.174 4.245 50 40 EIGB CCCCC/C(=N/NC(=O)Cc1ccc(OC)cc1)c1ccccc1 5792219 PZTHCVKLKNJXEB-XDOYNYLZSA-N 338.451 4.339 50 40 EIGB COc1ccc(-c2nc3cc(CBr)ccc3o2)cc1OC 216797392 GWHCLEOIXAVHGQ-UHFFFAOYSA-N 348.196 4.407 50 40 EIGB CCCCc1ccc(C(=O)N/N=C\c2ccc3c(c2)C[C@@H](C)O3)cc1 408710867 QZDQXKUCYXLTAW-YZLQOSHFSA-N 336.435 4.117 50 40 EIGB N#CC1=C(SCc2ccc(F)cc2)NC(=O)C[C@@H]1c1cccs1 409127554 NXJINPGGYROJQD-ZDUSSCGKSA-N 344.436 4.159 50 40 EIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1C(C)(C)C 409196163 UDBCAZHUNGSEMK-RGVLZGJSSA-N 331.847 4.277 50 40 EIGB CC(C)(C)C1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1 409367689 IFCKATKFIMOMRT-GFCCVEGCSA-N 339.386 4.048 50 40 EIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 256042 JKXPIRZIJZFECJ-UKTHLTGXSA-N 346.308 4.260 50 40 EIGB C/C(=N\NC(=O)c1cccnc1)c1cc2c(ccc3ccccc32)o1 7931447 MGDFKSHGUQLSQJ-LPYMAVHISA-N 329.359 4.135 50 40 EIGB CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)NC(c2ccc(C)cc2)=N1 20292849 GQTVLCXUNVMTSE-UHFFFAOYSA-N 347.262 4.006 50 40 EIGB FC(F)(F)C(F)(F)C(F)(F)COc1ccnc(CCl)c1 34350892 HBOZIXCLLBNILB-UHFFFAOYSA-N 325.611 4.032 50 40 EIGB N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1ccsc1 44027862 DBJMLETYIJGMCY-VGOFMYFVSA-N 339.807 4.377 50 40 EIGB C[C@@H]1CC[C@H](C(=O)O[Si](C)(C)C)/C(=C(\C#N)O[Si](C)(C)C)C1 255190407 XCJIILCOJXPBCB-ASTIVABDSA-N 339.584 4.430 50 40 EIGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(CC)CC)c2C)cc1 408751952 FBFVUXVJKWBFLP-ZHZULCJRSA-N 349.478 4.432 50 40 EIGB Cc1cccc(NC(=O)N/N=C/c2ccc(N3CCCC3)cc2)c1C 408855330 LVWNTUFGSIWWFU-KGENOOAVSA-N 336.439 4.059 50 40 EIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc2cc[nH]c12 431688 ILHFDCVMRICFTJ-AWQFTUOYSA-N 332.190 4.239 50 40 EIGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1 40549539 CRCNVNYXQMQCIG-RIYZIHGNSA-N 347.349 4.055 50 40 EIGB Brc1ccc(P(c2ccccc2)c2ccccc2)cc1 100059064 YNLBCLNFEOKEHA-UHFFFAOYSA-N 341.188 4.207 50 40 EIGB O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1O 17071622 YYDLQMKGGINVPH-UHFFFAOYSA-N 342.826 4.489 50 40 EIGB N#C/C(=C/c1ccsc1)C(=O)Nc1ccccc1Br 44028585 CXXIQEQUTYNJSQ-XFFZJAGNSA-N 333.210 4.056 50 40 EIGB CCCCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 59445268 AHIZMHSSNRHEBU-DEDYPNTBSA-N 330.815 4.283 50 40 EIGB COc1ccc(/C(C#N)=C(\N)SCc2ccccc2Cl)cc1 104281200 HSOASQDLMMHTFW-BMRADRMJSA-N 330.840 4.433 50 40 EIGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc21 208437542 ZHQMVDAMCCRLGH-OEAKJJBVSA-N 347.462 4.391 50 40 EIGB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1OO3 101983377 IQKPNFFLSFPURG-AEVHBADWSA-N 334.456 4.349 50 40 EIGB biogenic,in-vitro C/C(=N/Nc1ccccc1)[C@@H]1C[C@@H]2C=C(C#N)[C@@H]1N2Cc1ccccc1 104097305 XASIBZOKGXKXHB-UKIGLSESSA-N 342.446 4.197 50 40 EIGB COc1ccc(Oc2ccc(/C=C(/C#N)C(=O)O)c(Cl)c2)cc1 585152272 IYPSJNWURCWCAY-WQLSENKSSA-N 329.739 4.132 50 40 EIGB O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=C1CCCCCCC1 408719604 ZKEZOIAUVUCGIB-UHFFFAOYSA-N 349.456 4.045 50 40 EIGB Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 408858290 RMDUXZRFYIGCAQ-FYJGNVAPSA-N 337.810 4.203 50 40 EIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 61686 FTSFVKXASCHXRC-OEAKJJBVSA-N 348.377 4.169 50 40 EIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1 143450 MKFPIQDBLQMMRC-LDADJPATSA-N 348.402 4.142 50 40 EIGB CCOc1cc(C=C(C#N)C#N)ccc1OCCOc1cccc(C)c1 5007362 AKWUULGNAFVDOK-UHFFFAOYSA-N 348.402 4.282 50 40 EIGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)c3cccs3)c2C)no1 8206376 BZDGOVUMZNOWBF-OQLLNIDSSA-N 337.404 4.242 50 40 EIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)c1 408765479 WFVVSXCNBCLCIY-HYARGMPZSA-N 331.419 4.166 50 40 EIGB C/C(CCc1ccccc1)=N\NC(=O)CCSc1ccccc1 408773930 UIIOIWMNXASXDL-CAPFRKAQSA-N 326.465 4.294 50 40 EIGB