smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCC(C)C 948068 PLQSTZOVOXAANJ-WOJGMQOQSA-N 371.458 4.068 50 40 FIGB N#CSc1c(-c2cccc(Br)c2)nn(-c2ccccc2)c1N 4672133 BCFYZIQPQZWYSQ-UHFFFAOYSA-N 371.263 4.457 50 40 FIGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 4724475 FTLSPRIFTFUULT-HWPLOXAPSA-N 365.433 4.146 50 40 FIGB COC(=O)N[C@H]1CCCCCCCCCC[C@@H]1I 5049167 CMXNJHQREIHSJR-STQMWFEESA-N 367.271 4.429 50 40 FIGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2cccc3ccccc23)CC1 6615069 UZURRSJJTCTGEQ-UHFFFAOYSA-N 365.477 4.487 50 40 FIGB CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 96193584 UKYIYFMYDUHJFQ-GHXNOFRVSA-N 373.195 4.133 50 40 FIGB CCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(F)s3)o2)cc1 252497742 QOVUSQBKHQJTMZ-SRZZPIQSSA-N 372.421 4.386 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC 408805682 BRRNKRPKQDNMEV-MVIXLYAFSA-N 370.493 4.476 50 40 FIGB COc1cccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)c1 409085748 ZVZSIBFKOBWCPP-OEAKJJBVSA-N 362.429 4.400 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 1083343 OBMZDOIAYAILJX-KOEQRZSOSA-N 372.468 4.196 50 40 FIGB Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 2282806 YTWLSLOXTOICTC-IIBYNOLFSA-N 374.415 4.343 50 40 FIGB Cc1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1 6477641 BVANASGUHPPEIO-SFHVURJKSA-N 364.470 4.146 50 40 FIGB N#CC(C#N)=C(Nc1ccc(F)cc1)SCc1ccc(C(=O)O)cc1 6863287 IBKLYZMMSOLTPB-UHFFFAOYSA-N 353.378 4.128 50 40 FIGB CCC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 14923190 VFJKZOHGDPDQQP-YYDJUVGSSA-N 372.468 4.243 50 40 FIGB Cc1ccn2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)nc2c1 15631467 QSWPQFCGQMJZMA-UHFFFAOYSA-N 369.639 4.360 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C\C1=Cc2cc(Cl)ccc2OC1 65488236 AGNAGHGTNNDPPJ-DHDCSXOGSA-N 366.804 4.213 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1Br)c1ccccc1 5676691 DQRBSZWURYRQAC-RERGGYADSA-N 355.235 4.233 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(C)C 6134916 AFQLNDDIYXNTJG-BOPFTXTBSA-N 350.418 4.276 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1)c1ccc(O)cc1 9089385 BHHXYJYAPUKFLN-OEAKJJBVSA-N 370.412 4.090 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2oc(C)c(C)c2C#N)c1C 9201336 AOGSWNWBMPRVNC-WYMPLXKRSA-N 374.444 4.248 50 40 FIGB Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 2282804 YTWLSLOXTOICTC-IERDGZPVSA-N 374.415 4.343 50 40 FIGB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CCl 4218981 NADKLCXJMMWRRK-CKEIUWERSA-N 351.874 4.482 50 40 FIGB in-vitro C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 4897870 CPIVBDLDVWJSBV-YDZHTSKRSA-N 374.400 4.174 50 40 FIGB N#C/C(=C\c1ccccc1OC(F)(F)F)c1nc(O)c2ccccc2n1 12748062 MQIJTUACGHQJCU-FMIVXFBMSA-N 357.291 4.298 50 40 FIGB CCN1c2cc(C)c(/C=N\NC(=O)c3ccco3)cc2C(C)=CC1(C)C 208521718 DFCMVJPZVPZBMV-XKZIYDEJSA-N 351.450 4.374 50 40 FIGB CCNc1ccccc1C[P@](=O)(c1ccccc1)c1ccccc1O 2315716 IRSZJQSWKITYOA-VWLOTQADSA-N 351.386 4.338 50 40 FIGB O=C(N/N=C/c1ccco1)c1ccc(CSCc2ccccc2)cc1 59473608 BNGFVVCRPLBWDP-FYJGNVAPSA-N 350.443 4.477 50 40 FIGB CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC 657620 VXJRXJXPQUQJMT-KEBDBYFISA-N 367.232 4.165 50 40 FIGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1 722444 FAQAGRYYRZAQSO-UHFFFAOYSA-N 365.260 4.366 50 40 FIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1 918927 ZVHYBZLCAQQGQJ-FSJBWODESA-N 363.461 4.437 50 40 FIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cn(CC#N)c2ccccc12 108970122 MMBJETFKGMIHEP-LGMDPLHJSA-N 354.413 4.273 50 40 FIGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 408728158 WKDJMZXPYJDSRW-DZUMZMOTSA-N 361.898 4.037 50 40 FIGB CC(C)(C)c1ccc(C(=O)NNC2=CC(=O)C[C@H](c3ccccc3)C2)cc1 408751348 FSKLYNIRFZNUEK-GOSISDBHSA-N 362.473 4.249 50 40 FIGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408807886 LIQUCLMCWTZKCV-GXDHUFHOSA-N 354.793 4.156 50 40 FIGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 408844145 CEVYXGZYBBLHSI-NTMALXAHSA-N 350.205 4.198 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c(C)n1CC(C)C 15355542 IEZTVIZFVZREEH-KBHCHJSJSA-N 369.292 4.405 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 20248439 XAUYIIZLJNCBKZ-HRKXOBMBSA-N 369.534 4.305 50 40 FIGB O=C(N/N=C\c1ccccc1F)c1cc2cc(Br)ccc2o1 408852894 ODHHJRANVKBBAR-OCKHKDLRSA-N 361.170 4.098 50 40 FIGB CC1(CBr)COC(c2ccccc2)(c2cccs2)OC1 1593518 JBMLXQDZSZGIJV-UHFFFAOYSA-N 353.281 4.397 50 40 FIGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(S)N1 4870235 FNYGYGRLPIPMJD-INIZCTEOSA-N 353.472 4.013 50 40 FIGB COc1cc(NC(=O)CCCC[C@@H]2CCSS2)cc(OC)c1OC 28309354 OSNXLIXFCYCBBN-CYBMUJFWSA-N 371.524 4.365 50 40 FIGB biogenic C=CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 33923448 JQUIYYIIZLBACC-RAXLEYEMSA-N 358.191 4.345 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)cc1 207830203 MHOUOSUMXNCTOW-AQTBWJFISA-N 356.429 4.343 50 40 FIGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3)cc2)c1 409079728 LYZXUYYVAYNXFH-MFKUBSTISA-N 369.424 4.210 50 40 FIGB CSS(=O)(=O)CCCN1c2ccccc2Sc2ccccc21 1569975880 IXGFKUYZOBPXIG-UHFFFAOYSA-N 351.518 4.372 50 40 FIGB Cc1ccccc1OCC(=O)NNc1c2ccccc2nc2ccccc12 4561090 GPGGCLPFASQXBX-UHFFFAOYSA-N 357.413 4.219 50 40 FIGB BrC/C(=N/N1CCCCCC1)c1ccc(Br)cc1 16954888 DYRFLMZCUAQFDS-VKAVYKQESA-N 374.120 4.424 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC1CC1 59133348 RIENMFSQDZSVQA-LFIBNONCSA-N 352.821 4.105 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cn(C)c2ccccc12 100313443 PKPCEUSZXLJNGS-LZYBPNLTSA-N 351.413 4.187 50 40 FIGB COC(=O)N/N=C/c1cn(CCOc2c(C)cccc2C)c2ccccc12 2303438 UEYMRHBUAPNTDP-LPYMAVHISA-N 365.433 4.027 50 40 FIGB BrC[C@@H](Br)[C@@H](Br)c1ccccc1 1675757 WTSKOLDTABPEPX-BDAKNGLRSA-N 356.883 4.281 50 40 FIGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 58883501 XCUBKGPOMKKEBI-BUVRLJJBSA-N 373.456 4.226 50 40 FIGB Cc1cc2occ(CC(=O)NNC(=O)c3ccccc3F)c2cc1C(C)C 3410229 OAJCMFQTFDLLFO-UHFFFAOYSA-N 368.408 4.007 50 40 FIGB C/C(=N/NC(=O)Cc1ccc(Br)c2ccccc12)c1ccco1 4672194 FCOTYQUJIOSFGN-NDENLUEZSA-N 371.234 4.278 50 40 FIGB Cc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cc2ccccc2o1 408947652 QPYDQLJGNKHBJA-HAHDFKILSA-N 361.445 4.495 50 40 FIGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccnc3)cc2[C@@H](C)CC1(C)C 223544232 UNQCKGDOZROIFY-CBFMJHRQSA-N 364.493 4.346 50 40 FIGB COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)C(C)C)cc1 40139958 IBVHLRSJWHEYEH-UNOMPAQXSA-N 363.413 4.184 50 40 FIGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cccnc3)cc21 223476884 LFSCEVUGCPLHIX-ZMOGYAJESA-N 362.477 4.256 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)c(C)c1 1091283 XVAWJQFHRCCRQJ-YDZHTSKRSA-N 361.445 4.180 50 40 FIGB COc1ccc([C@H]2C(C#N)=C(O)Oc3c2c(C)nn3-c2ccccc2)cc1 33648332 IHVLQURIYOUTMI-IBGZPJMESA-N 359.385 4.007 50 40 FIGB O=C(NNc1cccc(Cl)c1)C1(c2ccc(Br)cc2)CC1 30615567 DFRUGEODXOULPK-UHFFFAOYSA-N 365.658 4.277 50 40 FIGB Cc1ccc(C(=O)Nc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc1 2654414 YQMZDQWGYOCBOO-HZHRSRAPSA-N 357.413 4.011 50 40 FIGB O=C(C=C1CCCCC1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1 65769454 WYSHEWOXWCMWOM-UHFFFAOYSA-N 358.438 4.206 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1)[C@]12[C@H]3CCC[C@@H]1[C@@]32c1ccccc1 408822316 LDHMEUUJFYTLES-LCSVOKFVSA-N 350.849 4.158 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)o1 408590819 QPOPTLBHTGDKPR-SRZZPIQSSA-N 355.825 4.413 50 40 FIGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1ccccc1 33318247 BAQGPFIMBHAKBT-OWBHPGMISA-N 358.353 4.190 50 40 FIGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F 48286590 ZXTNZLUMYDXZMW-WQLSENKSSA-N 361.279 4.159 50 40 FIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C)c([N+](=O)[O-])c1 7210511 QUASHEIMPPBFNU-VGOFMYFVSA-N 355.781 4.411 50 40 FIGB O=C(c1cccc([N+](=O)[O-])c1)[C@H](Cl)[C@H](Cl)c1ccc([N+](=O)[O-])cc1 1685405 JUSDBJXTMHJMBL-ZIAGYGMSSA-N 369.160 4.273 50 40 FIGB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)C[C@@H](Cl)c1ccccc1 1725435 KKOYATSGADPKSY-GFCCVEGCSA-N 360.218 4.002 50 40 FIGB N#CC1=C(/N=C/c2cc(Br)cc(Br)c2O)CCC1 3160430 FHNDTPOOOQYJKV-REZTVBANSA-N 370.044 4.298 50 40 FIGB CCOC(=O)c1cc(N/C=C(\C=O)c2nc3ccccc3o2)ccc1Cl 5461405 JQSZVKBFNWTYLP-ZRDIBKRKSA-N 370.792 4.310 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 8043179 NZAVABDZMPNTNO-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 408737213 AMICHTNTIISHJU-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1 408779953 OOFJOEHTYNQNPW-XKZIYDEJSA-N 350.397 4.389 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c2C)c1 409377694 KMVWHRUNEQZLPO-UDWIEESQSA-N 358.445 4.463 50 40 FIGB CC(=O)n1cc(/C=C/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 3068137 VRRPWDRUYQKIGQ-YJXKLHOCSA-N 365.820 4.384 50 40 FIGB C/C(=N\NC(=O)c1ccncc1)c1ccc2c(c1)Nc1ccccc1S2 5158527 SQRQMDGCGRDNFN-YDZHTSKRSA-N 360.442 4.444 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1Cc1ccccc1 6188328 CPRUINRAZFXEOD-OAHLLOKOSA-N 362.820 4.143 50 40 FIGB FC(F)(F)c1cccc2c1[C@@H]1O[C@H]2[C@H](Br)[C@@H]1Br 96171586 XEKDFSULVJVFFF-RGOKHQFPSA-N 371.978 4.358 50 40 FIGB Cc1cc(C)n2nc(-c3cccc(Br)c3)c(SC#N)c2n1 408896722 ZHYGPBVVUSQBKH-UHFFFAOYSA-N 359.252 4.349 50 40 FIGB C#CCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 2162477 CESUJLHNMZMWHA-BUVRLJJBSA-N 368.392 4.362 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1 5215090 WLRXJADLDMDGQL-SDNWHVSQSA-N 370.250 4.061 50 40 FIGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1C 16282395 DESIGDAZQWTDCZ-YVLHZVERSA-N 366.421 4.426 50 40 FIGB O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1ccc(F)cc1 36490528 IGFLYMZQHVUQKD-IWIPYMOSSA-N 359.404 4.474 50 40 FIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)s1 59116649 STPHEJNPPFHRES-XYOKQWHBSA-N 353.472 4.414 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408942717 LAWOPBAEDOKKBA-BXSODOALSA-N 366.417 4.383 50 40 FIGB N#CC(C#N)=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 408989005 GLQVELZOURZPJY-UHFFFAOYSA-N 354.372 4.379 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1cccc(Br)c1 409008626 YXWUEBPEMYRTRB-UDWIEESQSA-N 369.218 4.473 50 40 FIGB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](Cl)[C@@H](Cl)c1ccc([N+](=O)[O-])cc1 1685408 JUSDBJXTMHJMBL-KBPBESRZSA-N 369.160 4.273 50 40 FIGB CC(C)Cn1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c2ccccc21 6327445 COLGPDGAEGQDPC-FINLKQIMSA-N 358.445 4.055 50 40 FIGB Cc1cc(Br)cc(Br)c1NC(=O)CCCCl 16269454 UHRJEIUGVBIOHF-UHFFFAOYSA-N 369.484 4.478 50 40 FIGB Cc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 83319331 UFOBNGZPZZAWMH-GRSHGNNSSA-N 357.207 4.268 50 40 FIGB Cc1cc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)cc([N+](=O)[O-])c1C 409370828 DRYJKQBNLAFORT-MHWRWJLKSA-N 365.389 4.001 50 40 FIGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NC1CC1 890573 MMARYALKHCEUFO-LFIBNONCSA-N 359.404 4.014 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)cc1 20197896 VDBTUVXPATUYMG-HYARGMPZSA-N 370.449 4.035 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccc2ncccc2c1 1014556 CPFCFQIAIRSHKJ-YDZHTSKRSA-N 374.469 4.468 50 40 FIGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(F)cccc2Cl)cc1 944173 MZFGLNIYZCUFRH-SSDVNMTOSA-N 362.832 4.306 50 40 FIGB CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(Cl)cc3)[nH]n2)cc1 4981664 WLWQDVJNTTXJFO-XKZIYDEJSA-N 366.852 4.447 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 710882 HRJMFWCHEIGXHZ-XQNSMLJCSA-N 359.429 4.227 50 40 FIGB Cc1cccc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc12 977009 FCGCCWBTSPYFLW-INIZCTEOSA-N 365.820 4.011 50 40 FIGB Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCN(c3ccc(F)cc3)CC2)cc1 2578588 BRKYEJUPEIMVDN-KSEXSDGBSA-N 372.447 4.271 50 40 FIGB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(N(CCF)CCCl)cc1 4822095 SSDRTDWYTKJXLN-JXAWBTAJSA-N 372.827 4.046 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(C)c1O 6256298 LKWKKTCCMVLVCQ-YDZHTSKRSA-N 361.445 4.180 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 40865622 WDTGSEGMGCEULP-FOWTUZBSSA-N 365.389 4.319 50 40 FIGB O=C(N/N=C/c1ccc(F)cc1)c1cccc(N2Cc3ccccc3C2)c1 59503622 RIMKAKXCKCBGOX-ZMOGYAJESA-N 359.404 4.110 50 40 FIGB CCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 245241369 BUDXRHGMTOHKNB-HNNXBMFYSA-N 374.868 4.355 50 40 FIGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccccn3)cc2[C@H](C)CC1(C)C 260565241 HLKUFGVZPJJDCV-HUSFYUSLSA-N 364.493 4.346 50 40 FIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O)cc2)c(Cl)c1 408740013 HOLSMSVVRDDXDH-WSDLNYQXSA-N 367.836 4.217 50 40 FIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 408800151 NFLIHOFGFLNPDD-RVDMUPIBSA-N 351.793 4.096 50 40 FIGB COc1ccc2ccccc2c1C(=O)[C@@H](Br)CBr 575358354 HUSYVDBRQPMFAH-NSHDSACASA-N 372.056 4.190 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)c2cccc(I)c2)cc1 1597831 JOCPFCAQIIZBJL-XNTDXEJSSA-N 374.225 4.421 50 40 FIGB N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1767515 PVKXSPROOCTVPJ-UKTHLTGXSA-N 353.378 4.012 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3F)o2)cc1C 2397303 YHIXXESPRWSUTE-FSJBWODESA-N 366.392 4.232 50 40 FIGB N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2ccc(F)cc2)cs1 4819248 UIPBNAPVUZRTAA-JLHYYAGUSA-N 364.405 4.025 50 40 FIGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 5002722 JXFVVEAVBNGBTL-NVMNQCDNSA-N 352.177 4.056 50 40 FIGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1 5215027 FQSIVTFXFOGTMM-WYMLVPIESA-N 359.341 4.400 50 40 FIGB CCc1ccc(/C(C)=N/NC(=O)Cc2ccc(Br)cc2)cc1 5716662 JVMHMAGJGSTXBG-DEDYPNTBSA-N 359.267 4.094 50 40 FIGB CC(C)CC(CC(C)C)=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1 408719910 PLEYRANKXYXFIU-UHFFFAOYSA-N 365.499 4.392 50 40 FIGB O=C(N/N=C/c1cc(Cl)c(O)c2ncccc12)c1cccc(Cl)c1 59459124 HCRXPKPROVFJMO-ZVBGSRNCSA-N 360.200 4.011 50 40 FIGB Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1 408952242 LRVSTVFDXWNBDG-JCMHNJIXSA-N 361.449 4.007 50 40 FIGB O=C(N/N=C\c1ccc(Cl)s1)Nc1ccc(Br)cc1 408968209 XFPXCKDDAFOEMT-CHHVJCJISA-N 358.648 4.320 50 40 FIGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(C)c([N+](=O)[O-])c1 6052317 JPBKJQBMWFPDOC-UGFZFLEUSA-N 371.462 4.244 50 40 FIGB Cc1cccc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 6382692 OOBZMXFQTRCMQR-NWFCWYBLSA-N 361.470 4.482 50 40 FIGB Cc1ccc(S(=O)(=O)n2cc(CBr)c3ccccc32)cc1 34435190 PRTHPGGIUDTFIG-UHFFFAOYSA-N 364.264 4.082 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)c1 408790983 ZWGGREVEPGLSQP-XNTDXEJSSA-N 351.793 4.096 50 40 FIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1c(F)cccc1Cl 830510 RRFLAPZUDJNQFH-FOKLQQMPSA-N 355.800 4.195 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)nc1 6966988 UJNWUOKGBYLWCL-FSJBWODESA-N 366.852 4.215 50 40 FIGB Cc1ccccc1[C@@H]1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N 20237968 XWFYDVNXOIWJMC-SFHVURJKSA-N 367.518 4.343 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1ccco1 55041148 CRTVULMTMNLPHL-GIJQJNRQSA-N 374.396 4.265 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(OC)c1 408754352 QJNCSPUYPVZTST-WOJGMQOQSA-N 358.397 4.403 50 40 FIGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)NCc1ccco1 1453327 JEBHKELEZQGNHY-GXDHUFHOSA-N 352.777 4.416 50 40 FIGB CCCCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 1766504 CWSQEMWYSCJINI-SAPNQHFASA-N 350.418 4.420 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)CCc2ccccc2)c(OC(C)C)c1 4545767 OUSZNFDPYFVRKV-HZHRSRAPSA-N 368.477 4.344 50 40 FIGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 5336781 DYVMEIDLKPLYAM-OEAKJJBVSA-N 365.864 4.440 50 40 FIGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 5765869 WHSZAEBYJPMYKB-XFFZJAGNSA-N 362.172 4.447 50 40 FIGB COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl 23411018 LNUWVVDVKCNMEW-WSDLNYQXSA-N 374.868 4.175 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c3ccccc23)cc1 33719490 QAVSTYGHFQIFGD-SSZFMOIBSA-N 358.397 4.403 50 40 FIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408798518 JAUIMNWSAJRHAH-ZWSXMNCCSA-N 373.796 4.330 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@@H]2CCCC=C12 1052029 XCXFQVRCVFHXAL-CXAGYDPISA-N 368.362 4.299 50 40 FIGB COc1ccc2c(c1)C[C@H](C)C/C2=N\NC(=O)CSc1ccccc1C 1057176 HKWVTHLMJXZDSX-JJTBQNNYSA-N 368.502 4.199 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OC 1086699 GWDCZICCSCXIIP-GZTJUZNOSA-N 350.418 4.256 50 40 FIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2634322 AVWSKDBWLSCBPN-VZUCSPMQSA-N 362.172 4.447 50 40 FIGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)O 13345022 YDHGTXODCGNVAW-YRNVUSSQSA-N 361.184 4.237 50 40 FIGB CCCCOc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19797664 HWWSFTYASYRFOB-CTNGQTDRSA-N 372.472 4.459 50 40 FIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCc3sccc3C2)c1C 26709184 BOKUGBXWSDVVLK-WOJGMQOQSA-N 353.491 4.068 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2c(O)ccc3ccccc23)[C@@H]2CCCC=C12 33858626 JAUBTEDAQPUMCS-UTKZUKDTSA-N 366.424 4.139 50 40 FIGB COc1ccc2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c(Cl)nc2c1 408729110 XMJOSCOVQLGLGV-UFFVCSGVSA-N 374.227 4.314 50 40 FIGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2cccc(Cl)c2)cc1 408852796 NOJAGOJMJFDUCJ-BKUYFWCQSA-N 368.824 4.295 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409149074 WTROQHUMFMEZGL-ZFMLPXDISA-N 354.475 4.191 50 40 FIGB O=C(NNC(=O)c1ccccc1SC(F)(F)F)c1ccc(Cl)cc1 40073407 JTNXJPDQDXNDGC-UHFFFAOYSA-N 374.771 4.027 50 40 FIGB c1ccc(P(=Nc2cnccn2)(c2ccccc2)c2ccccc2)cc1 100255226 BIHZFLHEXJFVGG-UHFFFAOYSA-N 355.381 4.286 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 408720310 YIJJNWGJRPDAKE-CIAFOILYSA-N 356.491 4.105 50 40 FIGB O=C(NN=C1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 408781874 FQHZNEWKZLGCOH-UHFFFAOYSA-N 361.489 4.295 50 40 FIGB CC1(C)CC(=O)C/C(=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)C1 788138 VOFQUQDERYQMAL-MDVMQCDRSA-N 374.484 4.244 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc(C)c1Cl 903841 PWFRKQVLGUNUHJ-LSHDLFTRSA-N 369.852 4.276 50 40 FIGB CCCN(CCC)c1ccc(/C=N/NC(=O)CNc2ccccc2C)cc1 2903359 QDAUJLAEQBYYPD-LFVJCYFKSA-N 366.509 4.184 50 40 FIGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1cccc(Cl)c1 5221916 FVNPCWNITDTBDR-JGZMPGRLSA-N 354.837 4.481 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1cccc(Br)c1)c1ccccc1 6260503 GTTFXVMTSLMVDM-ATTDUZETSA-N 355.235 4.233 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1cccs1 13647019 SXWQEYHFBJMVGB-BKUYFWCQSA-N 360.442 4.445 50 40 FIGB COc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2n1C 5070214 DKXQTRKPVRESHM-UKTHLTGXSA-N 368.234 4.409 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 5579760 BARCCMAEFQLELP-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC 6543680 ILULPZJHMMFNTG-HYARGMPZSA-N 354.450 4.155 50 40 FIGB CCCOc1cccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)c1 409314110 KFDTVPDNGDCMRA-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB O=C(N/N=C/c1ccc(F)cc1)c1ccccc1/N=C/c1ccc(F)cc1 2753399 AXVQANKKRRUNQQ-GUJRAXHGSA-N 363.367 4.479 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OC(C)C 16410032 QFHYFRVQZCWCTJ-QUYZQLMHSA-N 364.445 4.267 50 40 FIGB CCOc1ccc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1 2163367 HRSHWBUDMYWLOO-NRFANRHFSA-N 352.370 4.090 50 40 FIGB O=C(CCN1CCCCC1)N/N=C/c1c2ccccc2cc2ccccc12 3196604 SLDRTCYJIQIPTP-JJIBRWJFSA-N 359.473 4.319 50 40 FIGB CC[C@@H](C)Oc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cccc1OC 4525136 PLRFXNOKIRRGOW-IZCBMXNHSA-N 366.417 4.124 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1C1CCCCC1 4549161 ZPZWYPJLFHHPGT-LDADJPATSA-N 351.450 4.427 50 40 FIGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1 5464102 LVESTKBODBCUMH-SFHVURJKSA-N 356.429 4.418 50 40 FIGB CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)[nH]n1 5642113 QJMYYEIXKHULQS-SRZZPIQSSA-N 370.840 4.385 50 40 FIGB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)C#N)OCCO3 253619761 OOLWTOWNVAYEQM-CAYFNDFTSA-N 359.510 4.027 50 40 FIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)c1ccccc1Cl 14010400 MSKHSEHYZJVOBG-NHDPSOOVSA-N 373.243 4.251 50 40 FIGB N#C/C(=C/c1cccc(Br)c1)C(=O)NCCCc1ccccc1 409239142 GQACAGVDKHGICG-ATVHPVEESA-N 369.262 4.105 50 40 FIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1 65999265 FGRSFNQTPXBDOM-VBKFSLOCSA-N 350.805 4.206 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccccc1 858290 VOMNNYDVIZIYJB-NTCAYCPXSA-N 359.341 4.400 50 40 FIGB Cc1cc(SCC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2n1 871062 OMOSFOHKKLSEKM-SRZZPIQSSA-N 369.877 4.439 50 40 FIGB Cn1cc(CCC(=O)[C@@H]2C=CC=C/C2=N\C(=O)CCCl)c2ccccc21 18083809 RJUKHAYFDNJFBL-SPJFCROGSA-N 368.864 4.019 50 40 FIGB O=C(CCl)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 39946635 XOPMOURJFBEDNH-OAHLLOKOSA-N 367.758 4.026 50 40 FIGB in-vitro N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1Cl 59335879 RDUOXAMNDIUUDF-FLIBITNWSA-N 362.172 4.447 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408580233 BHRPBBRHHWKALI-GZTJUZNOSA-N 351.402 4.341 50 40 FIGB COc1cccc(C=NN(C(=O)C(F)(F)F)c2ccc(C)cc2C)c1 583650542 HYMZAYGFKNNHDN-UHFFFAOYSA-N 350.340 4.241 50 40 FIGB CCN(CC)c1ccc(/C=N\NC(=O)c2cccc(Br)c2)cc1 32197826 CZMXSJXKNOLWMA-MOSHPQCFSA-N 374.282 4.059 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OC(C)C)c1 171814281 HVOXHYYAWMRZBG-GZTJUZNOSA-N 350.418 4.337 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(O)c1 408789656 QPYYLZJNPHUNQV-LDADJPATSA-N 363.461 4.401 50 40 FIGB O=C(NNC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1 668967 FWRWUGVRNOMJBE-UHFFFAOYSA-N 358.612 4.113 50 40 FIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C)cc1 919095 HDIJCEAQYICLPK-OEAKJJBVSA-N 362.429 4.076 50 40 FIGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1 4150228 RGEUKBZDLNDQPJ-SFHVURJKSA-N 372.428 4.084 50 40 FIGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC 38205623 WEWYDDQPZXUXDX-BKUYFWCQSA-N 360.841 4.291 50 40 FIGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccn3)cc21 208245123 MLSZXRXCKVROHD-ZXCVBSDHSA-N 370.884 4.221 50 40 FIGB COc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2739025 UJVHFVTWADTIDR-HZHRSRAPSA-N 360.413 4.135 50 40 FIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 9614401 WIXIIAIFTPNNSC-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3F)o2)c(C)c1 13955441 LZOWIHUXJUBLPS-FMCGGJTJSA-N 366.392 4.232 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(F)cccc1Cl 33957605 JBGUQPHHYBXBAP-SSDVNMTOSA-N 356.784 4.405 50 40 FIGB C=C1CC(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)C1 408729370 DWONVJHPNCGWML-VXLYETTFSA-N 359.223 4.125 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2ccccc2Cl)cc(C)c1Cl 3032587 WHDVJFXCUMRMKV-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB CC(C)[C@@H](Br)C(=O)Nc1nc2c(F)cc(Cl)cc2s1 20133375 ZBCSOJRYTWPCFB-SECBINFHSA-N 365.655 4.447 50 40 FIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408718957 XOTLXMAPABSKFE-ZYKJGCOYSA-N 367.405 4.131 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC 408865785 FPZRAAMBBGNPHT-XMHGGMMESA-N 374.440 4.205 50 40 FIGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCC(=O)O 409047230 NRWKVXJITWEQOP-OVCLIPMQSA-N 357.793 4.266 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1 2261115 YMHPXUYAYHUXHX-HZHRSRAPSA-N 360.461 4.153 50 40 FIGB C/C(=N\NC(=O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 13139682 OQBDQBYNGRRUOZ-HYARGMPZSA-N 363.442 4.154 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1 13982344 JHSCDBOBVYYFKE-HZHRSRAPSA-N 360.413 4.038 50 40 FIGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl 216105927 FXTHVKJVEWAVTH-XFFZJAGNSA-N 362.172 4.447 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccccc1 409379650 ZCSLVUPIJMLSDQ-QGOAFFKASA-N 357.413 4.345 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)cc1Cl 409382094 XSWOSHLEMORBCH-FSJBWODESA-N 373.884 4.281 50 40 FIGB CC(C)(C)/C(=N/NC(=O)c1ccccn1)c1ccc(Br)cc1 1889073871 ZGRGJEOBPDRGDY-HMMYKYKNSA-N 360.255 4.024 50 40 FIGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)c(C)c2nc1Cl 883058 XSTJUGGQFXQDHX-KRWDZBQOSA-N 367.836 4.176 50 40 FIGB O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cccs1 1413020 VMSJTXAFPKNOAX-UHFFFAOYSA-N 369.471 4.172 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C)c1C 1453420 KXYGTICKIMNQOO-MHWRWJLKSA-N 368.458 4.396 50 40 FIGB Cc1ccc(C)c([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c1 6044311 KZHVJDXDCJZXAX-NRFANRHFSA-N 370.456 4.003 50 40 FIGB N#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408796263 OQOQPTDYZNVXEA-UKTHLTGXSA-N 372.211 4.441 50 40 FIGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c1 5526711 OZXDHYDJXNTCHB-HZHRSRAPSA-N 360.413 4.135 50 40 FIGB Cc1nccn1-c1ccnc(C(=O)NN(c2ccccc2)c2ccccc2)c1 69324218 WXHZSVPEAZLEQI-UHFFFAOYSA-N 369.428 4.059 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 409158201 NWQPDVPJDHHOME-CIAFOILYSA-N 363.373 4.236 50 40 FIGB CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1CC(C)C 4102621 OJKMJTAEFRNSBW-QGZVFWFLSA-N 368.502 4.466 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 4354507 MIJQFCSOKUJTRA-RVDMUPIBSA-N 361.405 4.381 50 40 FIGB Cc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)n1C1CC1 6931712 NWIRYODCEMFWCP-YDZHTSKRSA-N 353.510 4.496 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 58927314 BRCICNVJRKFGQB-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12 100521705 ZMEYSZLLVYTWAR-WYSJBZEQSA-N 367.449 4.374 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccnc3)cc2C(C)=CC1(C)C 208513280 FBLSFKLPHWJZBQ-ZVHZXABRSA-N 362.477 4.176 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c2ccccc12 408790312 OTDUHHRIQXFLAU-DTQAZKPQSA-N 358.397 4.490 50 40 FIGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408804377 FCTRPWOLWIXKLA-SFQUDFHCSA-N 350.418 4.338 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1O 409184695 ZSJANXYFUCBVBW-FBCYGCLPSA-N 373.623 4.125 50 40 FIGB CC1CCN(C(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 4807390 XRIVLHMGHMPWJZ-VBKFSLOCSA-N 365.389 4.020 50 40 FIGB CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2F)c2ccccc12 6513245 DYKLAPZVHKHDNS-BOPFTXTBSA-N 361.420 4.260 50 40 FIGB Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)c1nc2ccccc2n1C 24983591 YSLPZEWOSDFCNH-CPNJWEJPSA-N 367.456 4.499 50 40 FIGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Cl)cc1Cl 30802305 FMKNWMFEPGPDLI-UWVJOHFNSA-N 357.624 4.176 50 40 FIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)c1 33671136 BBMXHOOBUSZOLJ-LGMDPLHJSA-N 357.413 4.345 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 408599029 CQNAOJARAQRIFT-LPYMAVHISA-N 354.450 4.241 50 40 FIGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)C(C)(C)C 408774928 DPSQJUAPWRVTNI-JJIBRWJFSA-N 363.505 4.397 50 40 FIGB O=C(CNc1cccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12 1054768 HXLAOQIGOSJQED-AFUMVMLFSA-N 369.424 4.261 50 40 FIGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)O)N=C3CCCC(O)=C32)cc1 1278725 SJDUYSOVDIILIS-QGZVFWFLSA-N 354.431 4.082 50 40 FIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(Br)s1 4567989 FIIBEFFHKUUWKK-LZYBPNLTSA-N 357.660 4.318 50 40 FIGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1ccc(F)cc1 20237981 DDNSBDLOTWMDMU-QGZVFWFLSA-N 371.481 4.173 50 40 FIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(=O)O)c1 33680767 JHCVQMJEGYJSEU-FOWTUZBSSA-N 372.380 4.092 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)ccc1OCC#N 40139893 KDPFDZJFBPSNGT-MHWRWJLKSA-N 371.396 4.177 50 40 FIGB CCc1cc(C(=O)N/N=C\c2ccc3ccccc3n2)c2ccccc2n1 100672080 IYQRDSBWXPZODR-UCQKPKSFSA-N 354.413 4.109 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1C 408819491 XLGCDISCWNROJL-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCCCC2)o1 408859101 SSHOZUGWCKUVTP-YBEGLDIGSA-N 371.444 4.278 50 40 FIGB Cc1ccc(N/C(=N\NC(=O)NC2CCCCC2)C(F)(F)F)cc1C 16393300 USXVBUTWXNMXRQ-UHFFFAOYSA-N 356.392 4.223 50 40 FIGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 4546321 PKRMJGHVZYSKLL-PXLXIMEGSA-N 359.385 4.416 50 40 FIGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1 7061294 RVJDWWRDXARAAR-GXDHUFHOSA-N 374.318 4.038 50 40 FIGB COc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1Br 409366713 XQBVZHCLGRENEX-MLPAPPSSSA-N 358.191 4.251 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 409072909 WIHCUAPCLVCKNG-ZVHZXABRSA-N 362.404 4.477 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OC 408885973 CDEXQBMKURICDU-GXDHUFHOSA-N 356.809 4.211 50 40 FIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 409110406 BUAUVSWYHPKDKW-NWGMWSOJSA-N 372.490 4.033 50 40 FIGB O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97950172 XLIFBQWTSCGUEB-UHFFFAOYSA-N 366.048 4.221 50 40 FIGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3cccs3)cc12 892421 FKLHABYKBRTWSD-YBFXNURJSA-N 366.471 4.221 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1O 7158287 LKYJJCUBEYYRNZ-CLFNKMITSA-N 362.857 4.046 50 40 FIGB COc1ccc(/C(=N/NC(=O)c2cc3ccccc3[nH]2)c2ccccc2)cc1 4551729 VYFGUHWYVMMVTF-YYDJUVGSSA-N 369.424 4.359 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cccn2-c2ccc(C)c(Cl)c2)c1 409020266 NHRDITXPDAJOCQ-LPYMAVHISA-N 367.836 4.212 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3O)o2)cc1Cl 805145 NUFSETMIXPAOGE-SRZZPIQSSA-N 354.793 4.378 50 40 FIGB N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 1410131 JYXAPSAPYCCFCR-GHRIWEEISA-N 369.262 4.350 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)c(F)c1 2730323 PILKNONVEUWVTR-ZVHZXABRSA-N 359.360 4.254 50 40 FIGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953664 MQVUHTVRAWVCIZ-IZZDOVSWSA-N 362.172 4.447 50 40 FIGB C[C@H](Nc1c([N+](=O)[O-])c(=O)oc2ccccc12)[C@@H](Cl)c1ccccc1 8691364 KZHVJVXQGZPYNM-XHDPSFHLSA-N 358.781 4.482 50 40 FIGB C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 13427259 AGFAWKAPAUDEDW-FHXOWUIVSA-N 371.845 4.386 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2c(O)ccc3ccccc23)[C@H]2CCCC=C12 33858628 JAUBTEDAQPUMCS-UWJYYQICSA-N 366.424 4.139 50 40 FIGB CCCc1c(OCCCCl)ccc(C(C)=O)c1OCCCC(=O)O 40447994 FDYJGTOZRUYFFB-UHFFFAOYSA-N 356.846 4.093 50 40 FIGB CC1(C)[C@]2(C)CC[C@@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)C2=O 225805072 PHVPPHYVLNGOEG-APHBMKBZSA-N 352.228 4.005 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1 408874690 FGTRQURMSCGBMO-FYJGNVAPSA-N 356.491 4.167 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2C)c1 408961060 QNXFIQYRGJHRLJ-AQTBWJFISA-N 361.445 4.150 50 40 FIGB Cc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 2282805 YTWLSLOXTOICTC-KKSFZXQISA-N 374.415 4.343 50 40 FIGB CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1 33417860 DAOCXHPTTWDMTK-SSZFMOIBSA-N 364.836 4.236 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1 408772446 PGJRPQSAKWKMBC-HYARGMPZSA-N 369.534 4.225 50 40 FIGB Cc1cccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1 408868595 NBHFGJVELPTFOE-MTJSOVHGSA-N 363.373 4.236 50 40 FIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12 4679649 BCBJVQRZGOJBLT-SFQUDFHCSA-N 368.440 4.224 50 40 FIGB C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccccc1OC(F)F 6051748 TXCJRZTXXGVSMU-SRZZPIQSSA-N 364.417 4.382 50 40 FIGB O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 15871843 ONGPPOITUHVDJB-UHFFFAOYSA-N 374.680 4.278 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1 23215216 VZSWDCKNHPKOEM-NTEUORMPSA-N 371.234 4.263 50 40 FIGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 48301761 HDUQCIRLDDDIDB-XFXZXTDPSA-N 361.279 4.159 50 40 FIGB NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 202549700 KRAKDLLDURLXRS-UHFFFAOYSA-N 362.477 4.500 50 40 FIGB Cc1cccc(NCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 1433537 KMYAOSAJOGGCLW-MFKUBSTISA-N 373.456 4.136 50 40 FIGB C/C(=N/NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCC2 4652650 LPCABJDHGVBCQY-BXSODOALSA-N 356.853 4.136 50 40 FIGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 33707282 IAGOEFFWZIRENK-PEZBUJJGSA-N 374.419 4.228 50 40 FIGB Cc1ccc(-c2nc(NNC(=O)c3cccs3)nc3ccccc23)cc1 97165884 DDCIJCGXRHAZNQ-UHFFFAOYSA-N 360.442 4.424 50 40 FIGB C[C@H](N[P@@](=O)(Cl)Oc1ccccc1)C(=O)OCc1ccccc1 136245511 AOZOBLLGZPZKKD-ZAMGYDSWSA-N 353.742 4.134 50 40 FIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3F)cc21 208201112 IFISGMPAXGIBGF-WQEJZQBCSA-N 353.441 4.312 50 40 FIGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccnc1 1246495 NNBXTVXKVWSFJT-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB N#CC(C#N)=Cc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1 3184163 MPWXFVHBBQSSJY-SOFGYWHQSA-N 368.190 4.125 50 40 FIGB Cc1ccc([C@@H](NC(=O)NCc2ccccc2)C(Cl)Cl)cc1F 3205617 VDOBSECWPQTPPF-OAHLLOKOSA-N 355.240 4.478 50 40 FIGB Cc1ccccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 4185833 IZHJJCMLEHXFND-DOPJRALCSA-N 364.283 4.092 50 40 FIGB N#C/C(=C/c1ccc(OC(=O)c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 96662810 SBKNNTJKJZRKIE-PDGQHHTCSA-N 371.352 4.273 50 40 FIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)CCc3ccccc3)cc21 208207129 PNHRHFBDRBFVCY-SVTVQYSDSA-N 363.505 4.492 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OC(C)C)cc2c1 409187011 KUCBDJATHQILLW-XKZIYDEJSA-N 366.417 4.383 50 40 FIGB COc1cc(Br)c(CBr)c(Br)c1 3132237 FXHBXUVPDJMNKN-UHFFFAOYSA-N 358.855 4.115 50 40 FIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1 3148645 IIHGOBHNYPFDAP-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB COc1ccccc1NCC(=O)N/N=C(\C)c1ccc(-c2ccccc2)cc1 4497996 SNSHFROTZUDTEB-KOEQRZSOSA-N 373.456 4.315 50 40 FIGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2c(c1)OCCO2 6432522 KJFUMIIHUHTAQV-UKTHLTGXSA-N 374.318 4.022 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)C2[C@H]3CCC[C@@H]2C3c2ccccc2)cc1 15188396 ZKYIVSWIPHGVGC-LSHVEYIESA-N 361.489 4.033 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccccn3)cc2[C@@H](C)CC1(C)C 223573944 RKYXSDFUBJKRIM-GCMSVZMUSA-N 364.493 4.266 50 40 FIGB N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 408724558 BOBDYSVPQQIKLX-YFHOEESVSA-N 362.172 4.447 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(O)c1 408792900 MFBHQVYFMHPFOA-LDADJPATSA-N 363.461 4.401 50 40 FIGB Cc1ccc(OCCSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)cc1 409131464 JNQWJDUDJKCXHC-HNNXBMFYSA-N 370.499 4.207 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409245703 XWZRHPNOIOEBDJ-IKTNTUJMSA-N 362.832 4.349 50 40 FIGB O=C(CCl)Nc1sc2c(c1C(=O)c1ccc(F)cc1)CCCC2 906523 JEKIRFACUINIBP-UHFFFAOYSA-N 351.830 4.174 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccnc1 944602 WVQKMKTYWOXXBT-CPNJWEJPSA-N 355.397 4.206 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)c(OCCC)c1 3174580 KOIAHQDVJNPCBT-PXLXIMEGSA-N 370.449 4.037 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 7164436 WOKORDYXYMZRRI-CPNJWEJPSA-N 374.440 4.260 50 40 FIGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 7208613 BTTZQBZNHRVSFR-SFQUDFHCSA-N 356.381 4.157 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408942720 LAWOPBAEDOKKBA-CRRPLPBISA-N 366.417 4.383 50 40 FIGB N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)NC1CCCC1 4599761 RFRBEFJZIGEXST-DEDYPNTBSA-N 371.440 4.103 50 40 FIGB O=C(N/N=C/c1ccccc1C(=O)O)c1cc2c(ccc3ccccc32)o1 16526104 XONWYVXHBAHNAR-WSDLNYQXSA-N 358.353 4.048 50 40 FIGB N#CC1=C(S)N(c2cccc3ccccc23)[C@@H](c2ccccc2)NC1=O 19810106 ZZSJDKYMJHMCIE-IBGZPJMESA-N 357.438 4.140 50 40 FIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc21 208201746 NQBDKNYISZWNAA-JMKVTYIUSA-N 353.441 4.312 50 40 FIGB C/C(=N\NC(=O)CSc1ccccc1)c1cccc(Br)c1 408783993 OZZQRXOGFJGMBB-LDADJPATSA-N 363.280 4.082 50 40 FIGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(C(C)(C)C)cc1 4502900 XEAJIELXFHQHBE-HZHRSRAPSA-N 370.522 4.023 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(C)[nH]1 6980445 BYVIBEOQRLKYPV-ZMOGYAJESA-N 369.428 4.006 50 40 FIGB Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1C 58927919 HSQWJVVCDHPEKK-ZVBGSRNCSA-N 365.260 4.448 50 40 FIGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc(O)cc1)[C@H](C)CC(C)(C)N2C 208210219 XFCFTGYTFWQMGV-LJGKHRNASA-N 365.477 4.187 50 40 FIGB Cc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C)OCO2 408797269 CCHUDULUEBGKSU-MKMNVTDBSA-N 354.793 4.231 50 40 FIGB Cc1ccccc1NC(=O)[C@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 100868233 IZHJJCMLEHXFND-KKXDTOCCSA-N 364.283 4.092 50 40 FIGB Cc1occc1C(=O)N/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1 36843805 YAAJBMJZMMLNKF-FBCYGCLPSA-N 351.189 4.086 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 4697614 ZMEYSZLLVYTWAR-QMAPVHTDSA-N 367.449 4.374 50 40 FIGB Cc1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1 6477715 BVANASGUHPPEIO-GOSISDBHSA-N 364.470 4.146 50 40 FIGB COC(=O)N/N=C/c1cn(CCCOc2ccc(C)cc2)c2ccccc12 2323627 QNZUVINATWHYDT-HYARGMPZSA-N 365.433 4.109 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccncc1 409208232 BBQSRCDMPIVNNW-FOKLQQMPSA-N 359.307 4.124 50 40 FIGB Cc1ccc(OCCSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1 409317130 OIOAQMXUXQOXQE-GOSISDBHSA-N 364.470 4.146 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 13345036 BRVHCEYWKAAZLO-DTQAZKPQSA-N 364.401 4.109 50 40 FIGB CCOc1cc(/C=N/NC(=O)OC)ccc1OCc1ccccc1Cl 4525984 HUDICOSGUGZSEZ-RGVLZGJSSA-N 362.813 4.008 50 40 FIGB CN1C(c2ccccc2)=C(C#N)C(=O)C[C@@H](c2ccc(Cl)cc2)N1C 1610057 VYISOMHPNSINGU-SFHVURJKSA-N 351.837 4.067 50 40 FIGB COC(=O)N[C@H]1CCCCCCCCCC[C@H]1I 5049172 CMXNJHQREIHSJR-OLZOCXBDSA-N 367.271 4.429 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2ccc(C)c(Br)c2)cc1C 6205613 PVRZLTIFLGCZQT-RGVLZGJSSA-N 359.267 4.067 50 40 FIGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C1/C[C@@H]2C=CC[C@@H]12 6328478 ZRBLUIHJUAHIPS-JLUHVOMESA-N 359.640 4.094 50 40 FIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 7159663 HHPKMRGRBPHXEN-RIYZIHGNSA-N 355.781 4.411 50 40 FIGB N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)c1nc2ccccc2[nH]1 13748136 VNBNMSFRDWKGTA-NTCAYCPXSA-N 354.369 4.116 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 408720166 VCSNGESJGGNWSS-WMRWHDLOSA-N 356.491 4.246 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccnc3)c2C)cc1 408777650 DYWGJTZVAOBJMB-PDGQHHTCSA-N 372.428 4.043 50 40 FIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccncc1 3101648 DYQOSLILKZHJQZ-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB C[C@H](Cl)[C@@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4844006 CPVUBAGICXSIAV-XHDPSFHLSA-N 350.827 4.322 50 40 FIGB C/C(=N\NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(N)cc1 96035541 AQDSHRASFIZDLP-ZVBGSRNCSA-N 361.829 4.430 50 40 FIGB COC(=O)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 98086643 LGZYXXSXSZMFHW-YDZHTSKRSA-N 372.380 4.137 50 40 FIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 6258396 RXWMHVMLKOBIHY-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1 6827583 QNYFKFZQZAJLII-BOPFTXTBSA-N 354.837 4.351 50 40 FIGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3ccco3)cc21 208463841 YTAGZABPYJHMKS-NHDPSOOVSA-N 357.841 4.329 50 40 FIGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC#N 408544781 XSDTUQYIQFSRJE-YBEGLDIGSA-N 358.401 4.155 50 40 FIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(Cl)cnc1Cl 2570238 MMKXCZZLZFZPGJ-KPSZGOFPSA-N 363.031 4.459 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(C)C 7158072 OGZQMRTYWUVHOD-KHSLMGARSA-N 370.493 4.332 50 40 FIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 17473747 RRHXIMKLXZHASS-RVDMUPIBSA-N 351.793 4.096 50 40 FIGB N#C/C(=C\c1cccc2c1OCO2)C(=O)Nc1ccc(Cl)cc1Cl 40139622 YIUFBSSLUBHUAS-IZZDOVSWSA-N 361.184 4.268 50 40 FIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2)cc1OC 107997496 WCLVMNWLQGNMAW-XMOVILSBSA-N 360.841 4.290 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1nc2ccc(F)cc2[nH]1 408569210 MIMPIMLEYSNJBD-UVTDQMKNSA-N 372.359 4.255 50 40 FIGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccccn3)c3ccccc32)c1 408997902 OVCRBQIPYMBIGA-AFUMVMLFSA-N 368.440 4.157 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)cc1Cl 409197474 GJSRUIHIXOUXFA-CXUHLZMHSA-N 353.853 4.242 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1c1ccc(F)cc1 985811 CUDAGWUGBXQATJ-OAHLLOKOSA-N 366.783 4.087 50 40 FIGB Cc1c(/C=N/NC(=O)CNc2ccc3ccccc3c2)c2ccccc2n1C 1307350 PEJBATJQPVYWAY-AFUMVMLFSA-N 370.456 4.202 50 40 FIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1 4720868 DWBKVGNUEZKOAC-UDWIEESQSA-N 351.233 4.221 50 40 FIGB Cc1cc(C)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)c1 33780302 CDIRZTHIHOYMTO-KEBDBYFISA-N 367.430 4.499 50 40 FIGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(N)=O)c1 408875174 DPROZJCECGGSPO-RQZCQDPDSA-N 369.262 4.049 50 40 FIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 409110408 BUAUVSWYHPKDKW-PCXKXAPESA-N 372.490 4.033 50 40 FIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)s1 712678 UASCTYUPFWCOKC-MRXNPFEDSA-N 356.491 4.496 50 40 FIGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Cl)c1 1092170 DGCFWNCGQMTKPU-CYGNYLSHSA-N 351.837 4.444 50 40 FIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cccc(Br)c1 1211227 GUNRRIUKLAHDOY-XYOKQWHBSA-N 366.218 4.476 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccccc1F 2316028 OKXBJOUHKGFBHH-DEDYPNTBSA-N 373.431 4.457 50 40 FIGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OC(C)C)cc1 20764502 RKSJYSHGQLQWEW-CIAFOILYSA-N 360.841 4.290 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 23217644 OZOCFHSQDPZCFP-RIYZIHGNSA-N 355.781 4.411 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 939904 PBUZSVWYLJGEAM-GXDHUFHOSA-N 363.442 4.053 50 40 FIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Br 941098 WAJCKOOVACUGIM-JLHYYAGUSA-N 357.207 4.003 50 40 FIGB N#C/C(=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 5728915 CTINWIYZXXZCGJ-PTNGSMBKSA-N 368.868 4.476 50 40 FIGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(Br)s1 17074697 CQDPNQGGVMWBMJ-FQMMZHFNSA-N 363.280 4.155 50 40 FIGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2O)c(Cl)c1 408741211 OMKNGCIFLUOAGK-WSDLNYQXSA-N 367.836 4.217 50 40 FIGB CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(CC)s1 1431755 AOXZACRYHNWONU-AWEZNQCLSA-N 374.487 4.075 50 40 FIGB COc1cc2c(cc1/C=C(\C#N)c1cccc(Br)c1)OCO2 4690969 MOAFFYQGRSPDKK-WLRTZDKTSA-N 358.191 4.251 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 5658596 NRPYGOKWCKCCJP-SFQUDFHCSA-N 350.418 4.202 50 40 FIGB Cc1noc(C)c1[C@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl 69351352 OWTXPDOBQDIGPM-LURJTMIESA-N 362.644 4.498 50 40 FIGB O=C(O)c1ccccc1/N=C\c1ccc(N(CCCl)CCCl)cc1 100372337 MJQQQKFACWBDPW-BKUYFWCQSA-N 365.260 4.419 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccc(N2CCCC2)cc1 408676995 OGYAEBPIJNUCCI-XQNSMLJCSA-N 359.429 4.311 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)c1 408742532 RMVJRFJQBXBFDL-MDWZMJQESA-N 371.780 4.193 50 40 FIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)c1 408794815 KCUDESAFQWWNPM-MHWRWJLKSA-N 365.820 4.405 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(F)cc1 1068831 GLVWONVZUSNYRN-HNNXBMFYSA-N 366.783 4.087 50 40 FIGB CCOC(=O)N/N=C/c1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 4545745 CMPBXWRUIMJZMH-HYARGMPZSA-N 368.433 4.283 50 40 FIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1cccc(Cl)c1Cl 20086223 YCDBCFFGNABNSF-HNNXBMFYSA-N 356.216 4.161 50 40 FIGB N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1cccc(C(=O)O)c1 107670380 JAPZMGGCZKGQIT-VBKFSLOCSA-N 358.353 4.190 50 40 FIGB O=C(CCSc1ccccc1)N/N=C/c1c(O)ccc2ccccc12 408776514 OWJQUHVSHHQBTN-KGENOOAVSA-N 350.443 4.178 50 40 FIGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 408855183 ABTIWSKYDUALEV-UFFVCSGVSA-N 364.232 4.106 50 40 FIGB CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 6264059 PGJVUILQXLKNMD-UHFFFAOYSA-N 374.868 4.374 50 40 FIGB CN(C)C(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)c2ccccc12 59334554 SQZZPBOVLFSFRL-WJDWOHSUSA-N 363.848 4.338 50 40 FIGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 2669940 MJZCCKSGYPGUBN-DTQAZKPQSA-N 362.429 4.316 50 40 FIGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)cc1 3436978 XRJKRINGLTVOQM-FMIVXFBMSA-N 374.227 4.497 50 40 FIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc2ccccc12 4735287 HNDLIKHRKBOJKD-FYJGNVAPSA-N 367.246 4.295 50 40 FIGB COc1ccc(C(=O)/C(=C/c2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1 6924769 JFKFQMKJUPIWAU-BKUYFWCQSA-N 369.380 4.199 50 40 FIGB CC(C)N1C(=O)/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 409147967 XHGWYCSZTDVERQ-FBMGVBCBSA-N 365.820 4.011 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OC 96483392 ZRVBAOKFDWJMOZ-GHXNOFRVSA-N 360.772 4.042 50 40 FIGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NC1CC1 890578 HLWGTDJEIGNDBC-LFIBNONCSA-N 359.404 4.014 50 40 FIGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc2ccccc2c1 3167264 FQYUEVTZYZROBD-CYGNYLSHSA-N 352.821 4.411 50 40 FIGB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCl)c1 4267317 GYHZCGMSIPZYPI-UHFFFAOYSA-N 372.808 4.261 50 40 FIGB C#CCOc1ccccc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1 4649313 XFSMSPSMAXCNGK-IWIPYMOSSA-N 368.392 4.362 50 40 FIGB CN(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1Br 5549674 FMULDRRTPXJWII-GDNBJRDFSA-N 355.235 4.305 50 40 FIGB C/C(=N\NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1)c1ccc(C)cc1 5578641 CHKRHCAOVVGPPI-PXLXIMEGSA-N 366.852 4.047 50 40 FIGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 13062520 BKEDZQHTCIAAJF-NTEUORMPSA-N 374.318 4.038 50 40 FIGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(Br)s1 17074695 CQDPNQGGVMWBMJ-MFHCDQJOSA-N 363.280 4.155 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)CNc2cccc3ccccc23)cc1 409392049 NKWMQBHGNJFCKJ-LFVJCYFKSA-N 361.445 4.191 50 40 FIGB O=C(CCCl)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 4267615 OVSWBRYZZIVWLR-UHFFFAOYSA-N 360.772 4.392 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1ccccc1 5646847 WBATZSIKDFLNTD-LJQANCHMSA-N 364.408 4.448 50 40 FIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 8812066 JEASWLDOIVOLKY-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB CCN1c2ccc(/C=N\NC(=O)c3ccccc3O)cc2[C@@H](C)CC1(C)C 223529889 MKRLLJHQCGWMFH-DZIKBWIISA-N 365.477 4.268 50 40 FIGB CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 408782607 XAWUYSDZEJWBBI-BOPFTXTBSA-N 361.420 4.260 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(O)c1 408897632 ZDHNWZOTPWKPNB-IZZDOVSWSA-N 363.200 4.253 50 40 FIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccco2)cc1 59133450 MUCUMHLYZUSJNT-GHRIWEEISA-N 372.380 4.353 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 59473489 RXDUHWQMDXPSNK-HMHKGCENSA-N 362.882 4.370 50 40 FIGB CCc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1 408907113 MAVXRFMANHNYMK-ODLFYWEKSA-N 360.255 4.476 50 40 FIGB O=C(Cc1cccs1)N/N=C\c1cccc(OCc2ccccc2)c1 31841408 QIOOYJWWGGZXIX-STZFKDTASA-N 350.443 4.020 50 40 FIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccn1-c1ccccc1 96585883 BHWWJEVICZRXKM-OYKKKHCWSA-N 371.362 4.189 50 40 FIGB CC(C)/C=N/N(CCOC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 5715257 VPIKGBQEGQCWHR-RCCKNPSSSA-N 368.437 4.411 50 40 FIGB CC[C@H](C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(N)=O)cc2)cc1 4600321 IKDZBIKNAXIMKI-UYPHOHSBSA-N 364.445 4.050 50 40 FIGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccsc2)C(C#N)=C(S)N1 20828176 YWJYCBMYYDOBJT-QGZVFWFLSA-N 368.483 4.117 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1O 1086599 MYTIDBLDDRUZFL-KEBDBYFISA-N 374.849 4.423 50 40 FIGB CCOc1cc(CN(CCCl)CCCl)cc(OCC)c1OCC 1692182 PRRKIVGEBYOLQG-UHFFFAOYSA-N 364.313 4.162 50 40 FIGB COC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(OC)c1 2634660 MQISZOCQRWRFEL-DHDCSXOGSA-N 357.793 4.008 50 40 FIGB N#C/C(=C/c1ccccc1)C(=O)N/C=N/OCc1ccc(Cl)c(Cl)c1 3041087 DSSHNEBFMCRESJ-NVNXTCNLSA-N 374.227 4.177 50 40 FIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953661 XKUXKHZXCVVDOF-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1cccc(O)c1 5535621 BGFLSPZEGYUQDR-KGENOOAVSA-N 360.841 4.053 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc(OC)c1O 6180720 OAFUTJDITWBJDP-MFOYZWKCSA-N 374.396 4.108 50 40 FIGB Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccccc3)cc2)cc1 7009007 AKJZMKKBPBTBLA-MFKUBSTISA-N 373.456 4.136 50 40 FIGB C[C@@H](Oc1ccc(/C=C(/C#N)c2cccc(Br)c2)cc1)C(=O)O 59302018 VERMTFPRPLUFFP-CDCQXCROSA-N 372.218 4.365 50 40 FIGB CN1C(=O)[C@H](C#N)C2(CCCCC2)C(C#N)=C1SCc1ccccc1 95117508 YQFYXFLUILTPCF-INIZCTEOSA-N 351.475 4.217 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2(C)C)c(C)n1C1CCCCC1 98055362 NLAYLJZZCXFFGR-CPNJWEJPSA-N 369.509 4.155 50 40 FIGB COc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1NC(=O)CSC#N 226328479 LEDCZSHOPXBDSH-UHFFFAOYSA-N 367.430 4.273 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408800179 NMKPHQZNMIQYHO-GXDHUFHOSA-N 356.809 4.380 50 40 FIGB COc1ccc(CCCC(=O)N/N=C/c2c(F)cccc2Cl)c(C)c1 408911764 OHHVOZNDSWUFJH-WSDLNYQXSA-N 362.832 4.269 50 40 FIGB Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c1 408991428 ODVDVDVNXYEPCR-IWIPYMOSSA-N 359.473 4.404 50 40 FIGB N#C/C(=C/c1cccn1-c1ccccc1F)C(=O)NCCCc1ccccc1 409231173 ICCXVYJNXLNABH-MNDPQUGUSA-N 373.431 4.272 50 40 FIGB COc1ccc2cc(C(=O)[C@H](Br)CBr)ccc2c1 575358651 XIZLIGBBIIIKRJ-CYBMUJFWSA-N 372.056 4.190 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(OC)c1OC 4040035 GULOANVCIIOIBH-MDWZMJQESA-N 352.415 4.386 50 40 FIGB O=C(N/N=C(\c1ccccc1)c1ccncc1)c1cccc2ccccc12 16134349 QJXPFNSWWBPVEN-YYDJUVGSSA-N 351.409 4.417 50 40 FIGB CC1=C(C#N)[C@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 25157025 OBLQVNZBNXZAHH-QFIPXVFZSA-N 372.472 4.150 50 40 FIGB CCOC(=O)/C(C#N)=C(/C(F)(F)F)[C@]1(C)N(C)c2ccccc2C1(C)C 32573509 FMKKUYXGKBGLDE-XOVFHRFOSA-N 366.383 4.118 50 40 FIGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1nc(-c2ccncc2)cs1 58202767 MOQHWZZUPBXCMP-AQTBWJFISA-N 374.469 4.106 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2C)cc1 207906911 RYBZMFVGTOBMTC-LGMDPLHJSA-N 372.428 4.043 50 40 FIGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 409023061 CGBKYIXXOBNSBD-SRZZPIQSSA-N 374.227 4.254 50 40 FIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1OC 704148 PPZXSJRSPJRXND-QGZVFWFLSA-N 364.426 4.137 50 40 FIGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cccnc1 1029899 CDPRBLVJHZVXCH-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)o1 4524198 HUCWEXGANXEZQP-VXLYETTFSA-N 373.206 4.374 50 40 FIGB CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 5384993 PNPXDGGTBQDOPI-XSFVSMFZSA-N 365.216 4.266 50 40 FIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 6888852 FFRSAUQAQXGKKL-XYOKQWHBSA-N 361.279 4.159 50 40 FIGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1cc2ccccc2cc1O 17073571 IVAXOZBDCLFJFF-QRVIBDJDSA-N 356.381 4.168 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Cl 408796378 YAIKPLMBHLVLKH-SFQUDFHCSA-N 364.832 4.460 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC 408805684 BRRNKRPKQDNMEV-XGDQWGABSA-N 370.493 4.476 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccn1 704779 ZQJJGZSSPHLBKT-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB CCCCOC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 3159539 MLOMJMXDYFPLQE-RYUDHWBXSA-N 364.077 4.229 50 40 FIGB N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)NC1CCCCC1 4524300 SWSOPNCRJVUADU-WYMLVPIESA-N 364.401 4.001 50 40 FIGB N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(-c2ccccc2Cl)o1 8846138 SGWCKSJAXUEQEO-LJQANCHMSA-N 363.804 4.400 50 40 FIGB C[C@@H](Cl)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1 20131957 UFEFPDSGPPIRIY-SCSAIBSYSA-N 354.056 4.278 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 59473374 VKWDZTXEKVVEDO-KGENOOAVSA-N 356.491 4.354 50 40 FIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1 408720261 XAWFEVQVKJIAIQ-XIJPWPHISA-N 366.408 4.477 50 40 FIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(Cl)cc1 409145652 PCMHTNFILSLHAV-RGVLZGJSSA-N 351.233 4.085 50 40 FIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)NCCCc1ccccc1 409241294 QVLYBTWHBJSGHC-PYCFMQQDSA-N 373.500 4.333 50 40 FIGB CCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 903661 PQVJDEOKSUPMQC-RGVLZGJSSA-N 362.882 4.122 50 40 FIGB O=C(Cl)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 2559982 DKNLJWSDGPXALN-SFHVURJKSA-N 355.821 4.165 50 40 FIGB C=CCc1cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)cc(OCC)c1O 408853702 QVMHCNKUYNZHMZ-XKZIYDEJSA-N 367.449 4.292 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c(C)c1 408993443 CYRHALBVMHNSSB-IWIPYMOSSA-N 359.473 4.404 50 40 FIGB CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccccc3Cl)o2)C1=O 16741517 SQQMOVGSENUCNG-GDNBJRDFSA-N 366.804 4.212 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)c1 43079188 IZRWDUJUNNUTBP-JYRVWZFOSA-N 357.207 4.009 50 40 FIGB O=C(Cl)c1ccc(OCc2ccccc2)c(I)c1 217709984 FERHVULQFDMWCZ-UHFFFAOYSA-N 372.589 4.249 50 40 FIGB CCn1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21 409391243 IGXGQVMXPMSSKQ-AFUMVMLFSA-N 370.456 4.377 50 40 FIGB COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 6410878 LSATZOFIROHPJT-QGOAFFKASA-N 356.381 4.172 50 40 FIGB COc1cc(-c2noc(/C(C#N)=C\c3ccco3)n2)ccc1OC(F)F 96855711 LQDYKOCIUASCTE-XFFZJAGNSA-N 359.288 4.004 50 40 FIGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1 1453979 BKMOVDWQLDVLCS-IZZDOVSWSA-N 363.200 4.253 50 40 FIGB O=C(CCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 5602988 OKZGLOMCWYDEKC-JJIBRWJFSA-N 358.441 4.349 50 40 FIGB Cc1cc(-c2ccc(NC(=O)CCl)c(C)c2)ccc1NC(=O)CCl 6268175 NPKDCMNEPHUCFJ-UHFFFAOYSA-N 365.260 4.325 50 40 FIGB COc1ccc(Br)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 12367916 UGGJMFHGEZCKKH-JYRVWZFOSA-N 359.179 4.430 50 40 FIGB C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(OCCC)cc1 20197812 DRWOURUAOTUYDQ-HYARGMPZSA-N 372.852 4.458 50 40 FIGB CSc1nccn1-c1cccc(C(=O)NNc2cccc(Cl)c2)c1 51322227 XVVHZGVXUDTXNX-UHFFFAOYSA-N 358.854 4.005 50 40 FIGB CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 98210380 MAKQLIRXNUQITR-BYPYZUCNSA-N 352.031 4.423 50 40 FIGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccc(Cl)cc1 408772650 DXLUTSGGYVQVTG-UUYOSTAYSA-N 367.836 4.217 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1cc2ccccc2o1 408843421 FKLUVOXWOPXXME-UUYOSTAYSA-N 374.352 4.155 50 40 FIGB O=C(N/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1ccco1 409082546 STYLZIUPXOYXAO-YDZHTSKRSA-N 364.445 4.217 50 40 FIGB O=C(Cc1cccs1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 409197304 AYTQMDHXQQZBRZ-LPYMAVHISA-N 368.433 4.159 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 3174422 ITYFBPRDOLYEGQ-WXUSHSQQSA-N 373.884 4.104 50 40 FIGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cccc2ccccc12 14923272 HQUYQTNAFJTMSA-ZVHZXABRSA-N 363.392 4.113 50 40 FIGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)N(CC)CC)c2c1 408780728 JCRXKDXBTAEPID-LGMDPLHJSA-N 366.461 4.413 50 40 FIGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)cc(OCC)c1O 408851332 XVPMXQCURAFVGC-XKZIYDEJSA-N 367.449 4.292 50 40 FIGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccn1 2351396 BTQSJYQXWQAIBI-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1Br)c1ccccc1 5677254 DQRBSZWURYRQAC-YYTPVVGHSA-N 355.235 4.233 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(C)C 7158064 OGZQMRTYWUVHOD-GHXXYLLISA-N 370.493 4.332 50 40 FIGB O=C(CNc1ccccc1)N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21 21673236 PKSWAOSSTCFMCN-IQQNDYETSA-N 371.440 4.143 50 40 FIGB Cn1c(/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)nnc1-c1ccccc1 96310753 POUNRIBRPIGAFQ-LFIBNONCSA-N 370.391 4.075 50 40 FIGB N#C/C(=C/c1ccc(O)c(I)c1)c1ccc(F)cc1 138645585 JKFOUJMOSTZKRD-GHXNOFRVSA-N 365.145 4.200 50 40 FIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCC2)cc1 6970419 BMYDZQVQZOBGCH-FYJGNVAPSA-N 373.909 4.183 50 40 FIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(CC)cc1 1444718 VYQJITWLOKALPB-IBGZPJMESA-N 374.440 4.031 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2295673 UAEUBTZCNSLIJM-CIAFOILYSA-N 374.824 4.418 50 40 FIGB CCOC(=O)/C(C#N)=C(/C=C/c1coc2ccccc2c1=O)CC(C)C 13112503 NGRQUFWQVMODNY-VZLAKPTRSA-N 351.402 4.236 50 40 FIGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 212595816 SCRUFGSHXICJHX-XFFZJAGNSA-N 362.172 4.447 50 40 FIGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)c(C)c1 5490480 YOVJABNFZFQIOC-QGZVFWFLSA-N 360.392 4.051 50 40 FIGB CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 16740896 GIRMXDXLRPLSQU-RGVLZGJSSA-N 351.233 4.301 50 40 FIGB CC(C)(C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)CCl 2387828 CZDKRRBJYXFDMK-UHFFFAOYSA-N 371.708 4.209 50 40 FIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1 3269111 KRVHMFMODNDKAB-OBGWFSINSA-N 363.461 4.477 50 40 FIGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC1CCCC1 4502031 FYERNAKWEHPBNM-AQTBWJFISA-N 364.420 4.370 50 40 FIGB O=C(COc1ccc(Cl)cc1Br)NN=C1CCCCCC1 4680579 QBQRZCJIMFAKAR-UHFFFAOYSA-N 373.678 4.308 50 40 FIGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 7159682 YASCYIYUXSHJDQ-FOWTUZBSSA-N 350.805 4.206 50 40 FIGB N#C/C(=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 96792434 MZFCRLWLKCBSRR-ZROIWOOFSA-N 355.312 4.183 50 40 FIGB Oc1ccccc1/C=N\CCSSCC/N=C/c1ccccc1O 104267064 VNEHKTHVSFFQQZ-LRVMPXQBSA-N 360.504 4.017 50 40 FIGB C[C@]12c3ccccc3[C@](C)(c3ccc4ccccc4c31)[C@H]1C(=O)OC(=O)[C@@H]12 104291522 XSZWGOUULUZIQB-DVJXIFHOSA-N 354.405 4.095 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409121337 ZCTHPMXFXUFRAR-HRKXOBMBSA-N 369.534 4.472 50 40 FIGB CC[C@@H](C)/C(C)=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 5784257 UKUPEFMGFCDWMM-VBUUPXLYSA-N 354.450 4.183 50 40 FIGB CCCCc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)cc1 102820973 NOQRUXFQCZVJFW-HMMYKYKNSA-N 370.474 4.289 50 40 FIGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1c(Cl)cccc1Cl 408925286 QXAWVWGFGLWWFO-DHZHZOJOSA-N 361.184 4.237 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1 409149103 XKQFRWXKLBMFGG-CJLVFECKSA-N 369.534 4.474 50 40 FIGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(C)cc(C)cc2nc1Cl 883065 KIAKABXDTPTKAM-GOSISDBHSA-N 367.836 4.176 50 40 FIGB N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1c[nH]c2cc(F)ccc12 44026991 YCUBTYNHLQGROR-CAOOACKPSA-N 370.387 4.342 50 40 FIGB CCCCCCSC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 2312645 WOZITPZKOSYICF-HNNXBMFYSA-N 359.451 4.247 50 40 FIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 4525132 MHUUAFBYGQXBBE-NTEUORMPSA-N 356.809 4.378 50 40 FIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c2ccccc12 6781484 LDVCIPKURIUKRG-QGZVFWFLSA-N 374.444 4.087 50 40 FIGB Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2ccccc2O)o1 408876611 MQMHXSZUGNDCRA-NHDPSOOVSA-N 354.793 4.378 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)CCSc2ccc(C)cc2)cc1OC 409135978 VLVDTXYCHSOCTH-RCCKNPSSSA-N 372.490 4.035 50 40 FIGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)cc1 35735479 LPMWTCFMMDPGBD-HAHDFKILSA-N 361.445 4.257 50 40 FIGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NC1CCCCC1 6222506 ZRLABZIYQAPHRW-WYMLVPIESA-N 365.389 4.211 50 40 FIGB COC(=O)c1sc(-c2ccsc2)cc1NC(=O)C(Cl)Cl 2157654 NRDOWIDNYFAZNB-UHFFFAOYSA-N 350.248 4.005 50 40 FIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3O)o2)cc1Cl 4784639 XVSNEQXCYNUBPY-SRZZPIQSSA-N 370.792 4.078 50 40 FIGB C[C@H]1C/C(=N/NC(=O)Cc2cccc3ccccc23)c2ccc(O)cc2C1 32116401 RNEVJLPKRCWBQS-WPCLWYOGSA-N 358.441 4.191 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1Cl 409012023 ILIBIHGAMVVIII-XMOVILSBSA-N 360.841 4.290 50 40 FIGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1 59133334 GAVBQAIZXQYMDS-VKAVYKQESA-N 350.418 4.420 50 40 FIGB CCSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 102679825 IBTZHEGUPOQGNY-QGZVFWFLSA-N 354.431 4.438 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)Nc1cccc(Cl)c1 408961985 WOFYQRHKSGJCLE-STZFKDTASA-N 356.857 4.486 50 40 FIGB CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1Cl 2331282 JVUVDXABUQSIHH-GOSISDBHSA-N 350.805 4.148 50 40 FIGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O 4513249 SDQZUMJEOHDTLD-DTQAZKPQSA-N 364.401 4.109 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 6211411 SIPNXDKKINXTOB-CIAFOILYSA-N 363.373 4.236 50 40 FIGB C[C@H](Cl)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1 20131960 UFEFPDSGPPIRIY-BYPYZUCNSA-N 354.056 4.278 50 40 FIGB Cc1cc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c(C)n1-c1ccc(F)cc1 101559373 RWPVXLZEXFENAF-KQWNVCNZSA-N 369.440 4.098 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)o1 408778519 GTAXRTKXCSXOLK-VBKFSLOCSA-N 367.449 4.459 50 40 FIGB Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccc(C)o4)CC(=O)N3C2)c1 2442053 QYQBEBDQFITWNP-MRXNPFEDSA-N 365.458 4.116 50 40 FIGB aggregator N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 6209332 PDBUOFOVTSQKBP-XYOKQWHBSA-N 361.279 4.159 50 40 FIGB CC[C@@H](Br)C(=O)Nc1nc2c(F)cc(Cl)cc2s1 20132322 QSTIGHXFHYUBFS-ZCFIWIBFSA-N 351.628 4.201 50 40 FIGB O=C(CNc1ccccc1)N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21 21673233 PKSWAOSSTCFMCN-KVHSSYOWSA-N 371.440 4.143 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)NCCCc1nc2ccccc2[nH]1 22700138 PTWHCYVHVZJOKD-CQSZACIVSA-N 363.552 4.326 50 40 FIGB biogenic Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Cl)c1 408797889 SYAUDCXEXOHNLF-XNTDXEJSSA-N 351.793 4.096 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1F)c1ccc(Cl)cc1 409189069 IDAVIWFQVYYDCQ-LPYMAVHISA-N 359.832 4.233 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)ccc1Cl 3022926 DELPPYPOWDUKIU-WSDLNYQXSA-N 358.869 4.475 50 40 FIGB CC(C)(C)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 4544565 ZNGCBDRSQPMWNU-CIAFOILYSA-N 365.389 4.402 50 40 FIGB O=C(N/N=C/c1cccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 5949084 DVJILEDZZNETEE-RGVLZGJSSA-N 353.765 4.165 50 40 FIGB CC(C)[C@H](Br)C(=O)Nc1nc2c(F)cc(Cl)cc2s1 20133378 ZBCSOJRYTWPCFB-VIFPVBQESA-N 365.655 4.447 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1 208368247 NECKFGXTVGDACH-GZTJUZNOSA-N 363.392 4.050 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)o1 408724328 BNPSQXBDRKYRKG-DJKKODMXSA-N 373.752 4.174 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccn3)c2C)cc1 409246014 CLBJYFWJUBYBQM-UYRXBGFRSA-N 356.429 4.343 50 40 FIGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 985587 SATSOERQBNJPGV-INIZCTEOSA-N 362.820 4.257 50 40 FIGB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](Cl)[C@H](Cl)c1ccc([N+](=O)[O-])cc1 1685406 JUSDBJXTMHJMBL-KGLIPLIRSA-N 369.160 4.273 50 40 FIGB O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Br)cc1 3195051 CGHVBDILHGIYIV-UHFFFAOYSA-N 373.162 4.125 50 40 FIGB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1ccccn1 16695103 TXSBEZGMFNWBAY-XNTDXEJSSA-N 352.800 4.492 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1O 23724077 KANDZGJZKHVRGC-VGOFMYFVSA-N 356.809 4.217 50 40 FIGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)cc1Cl 33340142 NUFSETMIXPAOGE-NHDPSOOVSA-N 354.793 4.378 50 40 FIGB CSc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 33361372 RIPYGSNKXLWGBR-ATVHPVEESA-N 361.470 4.156 50 40 FIGB O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1O 33697385 GYLGJGHMJCSFAP-OYKKKHCWSA-N 369.424 4.159 50 40 FIGB CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 408762525 OROHEAVBCAEZDR-UVTDQMKNSA-N 371.234 4.393 50 40 FIGB COc1ccc(C(=O)/C(=C\c2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1 4892175 JFKFQMKJUPIWAU-FYJGNVAPSA-N 369.380 4.199 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 7158495 MCWABGFLANKEJM-SFQUDFHCSA-N 350.418 4.338 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)cc1 33719326 RHZJDGZCQTWQRK-LGMDPLHJSA-N 354.413 4.273 50 40 FIGB C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 96316200 ONOHEONVCRWGEC-LERPTODRSA-N 351.793 4.177 50 40 FIGB C[Si](C)(C)O[C@]1(C#N)CC[C@@H]2C[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 169808810 KZHKLJLJVDSJTO-YVSFHVDLSA-N 350.611 4.424 50 40 FIGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Cl)c1 1055260 CEMKOQGFTCHSAJ-CYGNYLSHSA-N 352.821 4.411 50 40 FIGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1 1407133 QQGLKAWIBHKYHS-SRZZPIQSSA-N 368.776 4.062 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 1455634 HEQSHEJYYNLSCW-JLHYYAGUSA-N 357.207 4.003 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OC(F)F 3330203 JSPZEDXWKAOKMI-NTEUORMPSA-N 358.344 4.151 50 40 FIGB O=C(N/N=C(\c1ccccc1)c1ccc(F)cc1)c1cc2ccccc2[nH]1 4598817 SSEXRPGXNURGHH-NJNXFGOHSA-N 357.388 4.489 50 40 FIGB CCO/C=N/C1=C(C#N)C2=CCCC[C@@H]2[C@@H](c2ccccc2)C1(C#N)C#N 36613058 PLCHNYDPOFTTJG-VEPFXTNKSA-N 356.429 4.386 50 40 FIGB CCOc1ccc(NC(=O)N/N=C/c2ccc(N3CCCC3)c(C)c2)cc1 59104441 JTGQUYXJXNICDN-PXLXIMEGSA-N 366.465 4.150 50 40 FIGB CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)n1 71834931 SLOGYUMXXBLIGJ-WDZFZDKYSA-N 361.854 4.345 50 40 FIGB C[Si](C)(C)O[C@@]1(C#N)CC[C@@H]2C[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 169808808 KZHKLJLJVDSJTO-ZYGGUILKSA-N 350.611 4.424 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)c(C)c2)c1 4090766 RPMZUXIJALSMSG-QGOAFFKASA-N 361.445 4.150 50 40 FIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c[nH]c3c2ccc2ccccc23)cc1 4131980 HYGDDSQOGKGPRF-ZMOGYAJESA-N 370.412 4.043 50 40 FIGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)cc1C 5379847 JKCRGTNPKQBYOX-NCELDCMTSA-N 372.468 4.080 50 40 FIGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3)c2C)cc1 6961826 ZDMIFIOXRKPJBT-HMAPJEAMSA-N 362.433 4.258 50 40 FIGB C[Si](C)(C)O[C@]1(C#N)CC[C@H]2C[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 169808813 KZHKLJLJVDSJTO-QAETUUGQSA-N 350.611 4.424 50 40 FIGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc1OC 408548083 DCMGHYAZQPLOQN-YVLHZVERSA-N 350.418 4.175 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc2ccc(F)cc2[nH]1 408569935 RDDXLQJBVLNVPK-RAXLEYEMSA-N 373.347 4.465 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCCCC2)o1)c1ccccc1 409251972 RNLHJTINFKHDDA-STZPCZCHSA-N 363.461 4.444 50 40 FIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)n1 409383484 VWEFSRUYRMHIIQ-DEDYPNTBSA-N 357.413 4.326 50 40 FIGB COc1ccc(/C(C#N)=C/c2c(C(F)(F)F)nn(C)c2Cl)cc1OC 1399208 VCVVZQPZZPGGJD-UXBLZVDNSA-N 371.746 4.174 50 40 FIGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 2268074 URKYLIHKOFQJGL-IBGZPJMESA-N 353.853 4.404 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccc(Cl)cc1 5739690 SCOAUKHDNDCFDO-WSDLNYQXSA-N 367.836 4.217 50 40 FIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(F)cc1 6886894 RWMZUMKDHNOKCO-OEAKJJBVSA-N 350.393 4.070 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(C)C)cc2)cc1 33773721 IHGHSISFVAAYPR-ATVHPVEESA-N 350.418 4.276 50 40 FIGB Cc1c(-c2nc3ccccc3s2)cccc1N1C[C@@H](C(=O)Cl)CC1=O 45886819 XIYUJKHGHKKVHZ-LBPRGKRZSA-N 370.861 4.390 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1 97990591 UCNLAFXMURUZOU-PTNGSMBKSA-N 354.793 4.062 50 40 FIGB FC(F)(F)c1cccc2c1[C@H]1O[C@H]2[C@@H](Br)[C@H]1Br 100645202 XEKDFSULVJVFFF-SGIHWFKDSA-N 371.978 4.358 50 40 FIGB C/C(=N\NC(N)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118924744 SFYQWEXDMJQYIT-FHEKJXIVSA-N 373.541 4.259 50 40 FIGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408810375 PHYKTIMIYHHGNY-LFIBNONCSA-N 350.805 4.206 50 40 FIGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 408968183 UPCPJKWCTGGRPP-XREZVLSMSA-N 363.295 4.043 50 40 FIGB N#CC(C#N)=Cc1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 5523588 CLZWARPXKWKYNI-UHFFFAOYSA-N 367.752 4.323 50 40 FIGB Cc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 5600029 HQXOOSJEPIZNOZ-OEAKJJBVSA-N 369.896 4.011 50 40 FIGB Cc1cc(C)c2c(N)c(C(=O)NN=C3C4CC5CC(C4)CC3C5)sc2n1 7916200 VLJKEZARQNCFSJ-UHFFFAOYSA-N 368.506 4.037 50 40 FIGB CCCCOc1ccc([C@H]2[C@H]3CCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 16037313 UCEXNLBILDLWGJ-RXVVDRJESA-N 372.472 4.459 50 40 FIGB Cn1cc(CCC(=O)[C@H]2C=CC=C/C2=N/C(=O)CCCl)c2ccccc21 104274608 RJUKHAYFDNJFBL-XBYUIDQRSA-N 368.864 4.019 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccc(F)cc1 408738070 MUGZWZIDWQKTFS-FSJBWODESA-N 353.372 4.136 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccccc2)o1 408998846 VAXLJOYOMAIRSO-DEDYPNTBSA-N 352.415 4.203 50 40 FIGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)N1CCCC1 409368991 WOUBOXCVTJJOHT-QGOAFFKASA-N 373.431 4.358 50 40 FIGB COc1ccc(/C=N/NC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 1051920 DMSSCHVZEVMHIC-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB O=[N+]([O-])c1cccc(/C=N/c2ccc(/C=C\C3(CCl)OCCO3)cc2)c1 31729119 XZKLWCAHMGLDFR-BMSOCKMGSA-N 372.808 4.341 50 40 FIGB CCCCOC(=O)/C(C#N)=C\c1ccc(OCc2c(C)noc2C)cc1 39969526 QSMLPZXPRLKVKP-BOPFTXTBSA-N 354.406 4.121 50 40 FIGB O=C(Nc1ccc(C(=O)CCl)cc1)Nc1ccc(C(=O)CCl)cc1 1725207 CYKINRYUSILRRE-UHFFFAOYSA-N 365.216 4.174 50 40 FIGB O=C(N/N=C/c1c(F)cccc1Cl)c1cc(Cl)cc(Cl)c1O 3663689 KXKBNRPDTYENNM-KPSZGOFPSA-N 361.587 4.255 50 40 FIGB COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1O 5915917 IMQQEAIFNUVKNG-DJKKODMXSA-N 360.822 4.033 50 40 FIGB O=C(NNc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 32999497 GVKDWGKUCRPKDD-UHFFFAOYSA-N 364.232 4.099 50 40 FIGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(C)=O 33645781 MMANRYSIZGKUSP-SXGWCWSVSA-N 361.401 4.178 50 40 FIGB CC(C)(C)C(=O)Oc1ccc(C(=O)CCl)cc1OC(=O)C(C)(C)C 36040142 QEIBROVFKBAHDN-UHFFFAOYSA-N 354.830 4.011 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)N2CCC2)c(C)n1-c1cccc(C(F)(F)F)c1 98055335 UIRLGQBGIPICOW-MHWRWJLKSA-N 373.378 4.252 50 40 FIGB N#C/C(=C/Nc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 100706634 AXMWSZFRFITMJN-RAXLEYEMSA-N 353.230 4.244 50 40 FIGB CC1(C)CC(=O)C/C(=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)C1 788143 VOFQUQDERYQMAL-ARCUFYBBSA-N 374.484 4.244 50 40 FIGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 2268075 URKYLIHKOFQJGL-LJQANCHMSA-N 353.853 4.404 50 40 FIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2805762 ORCHMISQECAOAY-YRNVUSSQSA-N 366.764 4.275 50 40 FIGB O=C(CCc1ccccc1O)N/N=C/c1cc(-c2ccccc2)oc1Cl 3067978 JJVBNQRNDIBOCI-LPYMAVHISA-N 368.820 4.389 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 3141851 HTEMSGXKQKWXGY-DEDYPNTBSA-N 374.282 4.059 50 40 FIGB O=C(N/N=C/[C@H]1CC=CCC1)c1cc(-c2cccnc2)nc2ccccc12 4863564 PPQKNPPKOHKPEI-GCMSVZMUSA-N 356.429 4.369 50 40 FIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 59165076 UCHACAIMWUIJPC-IKMPRTQCSA-N 364.470 4.317 50 40 FIGB CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccc2ccccc2c1 254288447 IWAAETRRYMXVBT-UHFFFAOYSA-N 356.429 4.038 50 40 FIGB N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(N)=O 408879715 CPDCSYMBMXSYIH-LFIBNONCSA-N 362.816 4.464 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccn1 409239446 NJEQECFVZKZUQN-MFKUBSTISA-N 368.440 4.406 50 40 FIGB CC(C)CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 3246950 FBCRBDLFHMFQBI-LTGZKZEYSA-N 362.473 4.377 50 40 FIGB Cc1ccc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 32701887 YXUSAQJFUDCGNU-JLPGSUDCSA-N 359.473 4.369 50 40 FIGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(SC#N)cc1 101129538 XCBSJBLJPGQYOF-LICLKQGHSA-N 352.394 4.117 50 40 FIGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1 408936856 LDUMQTKKYAQIND-WJDWOHSUSA-N 350.805 4.206 50 40 FIGB Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(F)cc2)cc1 8812284 BYBAQZNRODPMCO-ZVHZXABRSA-N 362.404 4.477 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 16411147 URHPLMVNNYZGJE-UKTHLTGXSA-N 357.207 4.003 50 40 FIGB Cc1ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)OC3=O)cc1C 98044612 GQHXWLIVTZBNFO-UHFFFAOYSA-N 362.341 4.419 50 40 FIGB BrC[C@@H](Br)[C@H](Br)c1ccccc1 1675758 WTSKOLDTABPEPX-RKDXNWHRSA-N 356.883 4.281 50 40 FIGB CC(C)[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 32999846 QWWVZTPHJPBXCU-MRXNPFEDSA-N 365.260 4.194 50 40 FIGB CC(C)(C)c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 4515194 WNMUQRAHQSNMND-FYJGNVAPSA-N 373.294 4.439 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Cl)c1)c1ccccc1 409240339 GRWQWRKOYBCFIY-ODYDIQAQSA-N 361.228 4.483 50 40 FIGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc(Cl)cc1 5621177 ZVDCXGRCLAOSJF-VCHYOVAHSA-N 351.631 4.257 50 40 FIGB COc1cc(OC)c(/C=C(/C#N)Cn2cnc3ccccc32)cc1Cl 408691777 PTXCROYFSWATCF-QPEQYQDCSA-N 353.809 4.314 50 40 FIGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(Cl)c(Cl)c1 658076 HWCGAHXAKJGTLQ-KPSZGOFPSA-N 371.607 4.139 50 40 FIGB COc1ccccc1C(=O)c1c(NC(=O)CCl)sc2c1CCCC2 923033 LDZQTGLDRLQFNB-UHFFFAOYSA-N 363.866 4.044 50 40 FIGB COc1cccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)c1 2577590 NEQYPONWGFSIOI-UHFFFAOYSA-N 367.410 4.406 50 40 FIGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccc(F)cc1 4922706 VDMZMBMXNDKXGM-KRWDZBQOSA-N 365.433 4.045 50 40 FIGB N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@H]1c1ccccc1 4923167 UESQJBUUKLBFCV-HNNXBMFYSA-N 365.433 4.045 50 40 FIGB CCCCc1ccc(NC(=O)COC(=O)/C(C#N)=C\c2ccccc2)cc1 6172959 SJEPFBHAGINDGC-RGEXLXHISA-N 362.429 4.118 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 6525251 KIZGUZNDUXESAE-CDCQXCROSA-N 355.781 4.033 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OC(C)C 16410033 QFHYFRVQZCWCTJ-PUMYGXPMSA-N 364.445 4.267 50 40 FIGB CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 17075920 XXKQBMKTTLEZLN-FPXKJXHESA-N 370.456 4.423 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OC 408816660 UIWVFGPIOFBNOS-WJDWOHSUSA-N 366.392 4.117 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1Cl 4211294 ACIGNCJMVXQZNR-XNTDXEJSSA-N 351.793 4.096 50 40 FIGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4673006 FUDNRXFBZLNFDZ-XYOKQWHBSA-N 361.279 4.159 50 40 FIGB C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(OC(F)F)cc1 5787008 LDFLFYQNYUTJEL-ZMOGYAJESA-N 369.371 4.299 50 40 FIGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2O)cc1OC 6490726 KZDKEUGJVBZZNP-NTUHNPAUSA-N 360.207 4.236 50 40 FIGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408718952 XOTLXMAPABSKFE-NSHDRDNGSA-N 367.405 4.131 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1O 408806238 IKNDAGFQYXDOQO-NTEUORMPSA-N 356.809 4.298 50 40 FIGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(N)=O)n2)cc1 2284657 AJJRWPZNDWXREQ-RVDMUPIBSA-N 360.442 4.194 50 40 FIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 15219898 AJTHACXGDTYLBD-PDGQHHTCSA-N 362.429 4.423 50 40 FIGB Cc1noc2ncc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc12 43083893 ZZXUKBPHENLVKM-UHFFFAOYSA-N 371.611 4.248 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccs1 59197906 FSEPMOLRXLLTLN-DJKKODMXSA-N 374.805 4.124 50 40 FIGB Cc1cccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1 408569435 NLYUOEISNZCIDH-UDWIEESQSA-N 372.515 4.003 50 40 FIGB N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)c1nc2ccccc2o1 409046653 KYUISBAUXMDHNA-KPKJPENVSA-N 354.749 4.009 50 40 FIGB COc1ccc([N+](=O)[O-])c(SSc2cc(OC)ccc2[N+](=O)[O-])c1 3067793 KHZCEPVVOGSJEH-UHFFFAOYSA-N 368.392 4.320 50 40 FIGB N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)[C@@H](C#N)C12CCCC2 4673550 DNPVEWJCOLIGDG-CQSZACIVSA-N 357.866 4.138 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(C)c1O 6281052 JJDFVGJKUAPMMH-ZROIWOOFSA-N 371.234 4.317 50 40 FIGB O=C(CSC(F)(F)F)NNc1c(Cl)cc(Cl)cc1Cl 32646812 UODZSKFNRGLCBL-UHFFFAOYSA-N 353.580 4.343 50 40 FIGB C[C@]12CC[C@H](CC1=O)[C@@]2(C)CP(=O)(c1ccccc1)c1ccccc1 95676824 WGNZYPKNUMNPEW-VOQZNFBZSA-N 352.414 4.396 50 40 FIGB COc1cccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)c1 408726248 KHZNZWIWXDGUQZ-LPYMAVHISA-N 364.470 4.232 50 40 FIGB O=S(=O)(C[C@H](Cl)c1ccccc1)c1ccc(Br)cc1 3181996 RRAWEGLJMZQPRB-AWEZNQCLSA-N 359.672 4.203 50 40 FIGB C[C@@H](Br)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5677188 MEQZXBFVRGWHRX-SNVBAGLBSA-N 366.642 4.293 50 40 FIGB CC/C(=N\NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccccc1 5727610 AULJCQPVQDONJM-XTQSDGFTSA-N 360.461 4.092 50 40 FIGB CCCCCCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 97940386 AYTDJZSFCXNEDE-UHFFFAOYSA-N 368.477 4.240 50 40 FIGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3ccccc3)c2c1 409005181 DDJMFORRXGHONY-HAHDFKILSA-N 362.429 4.401 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1 1904610 PSPLLMMXKOVYAY-OEAKJJBVSA-N 368.477 4.436 50 40 FIGB Cc1ccc(C2=CC(=O)O[C@@](CBr)(c3ccccc3)O2)cc1 3129288 RHHCEDPJAOFKRT-SFHVURJKSA-N 359.219 4.157 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1 3232371 XQXHJAAILMFTSK-SDNWHVSQSA-N 371.234 4.393 50 40 FIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 44835424 JOLKMKJNVKANOW-CIAFOILYSA-N 354.793 4.129 50 40 FIGB COc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1OC 57986554 OPEYBMRBGNVQMR-AWEZNQCLSA-N 355.525 4.034 50 40 FIGB biogenic COC(=O)[C@H](NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)C 97977137 VKAPNBWAWBNHAM-LLVKDONJSA-N 361.332 4.271 50 40 FIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1 408768923 MCYIWSGWIMJWJG-LCYFTJDESA-N 359.223 4.141 50 40 FIGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1O 409075462 YYADAEHZDDKWTN-GZTJUZNOSA-N 350.374 4.492 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1c(F)cccc1Cl 1065415 JJVADAUYYIWEPA-CQSZACIVSA-N 366.783 4.087 50 40 FIGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1O 3227945 JUYBMGGQLAXNPA-DJKKODMXSA-N 360.822 4.033 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 6181977 OKJRPZMPYBERDR-DTQAZKPQSA-N 358.397 4.403 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1cccnc1 10042037 OUUHCVVQQXYQIQ-FOKLQQMPSA-N 359.307 4.124 50 40 FIGB O=C(NNc1ccccc1C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] 45480942 DYGPWFFUMWPCPK-UHFFFAOYSA-N 359.691 4.024 50 40 FIGB CCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21 46084994 JQIMGJKQAOPEHU-PYCFMQQDSA-N 369.852 4.011 50 40 FIGB CN(C)[C@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 58369723 UTOQOASGUPKDDR-HNNXBMFYSA-N 372.683 4.393 50 40 FIGB O=C(CCl)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 226327840 VVWWCMPHYFXCNX-UHFFFAOYSA-N 365.614 4.435 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccccc1 4814082 LSDROIZNAGIYCU-LFVJCYFKSA-N 374.440 4.428 50 40 FIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c2ccccc12 6781479 LDVCIPKURIUKRG-KRWDZBQOSA-N 374.444 4.087 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cccc(Cl)c1Cl 59334476 JYMFSOPGAKBMJF-ZROIWOOFSA-N 362.260 4.396 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1C 207865118 HIMOOQKSKSGVNH-LGMDPLHJSA-N 372.428 4.043 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1OC 33415796 MOVWCURQNUAHAD-OVCLIPMQSA-N 363.417 4.270 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 1453899 GBNXSYMRJXMNHD-LFIBNONCSA-N 366.417 4.037 50 40 FIGB Cc1cc(C)c2nc(NNC(=O)c3nc4ccccc4s3)sc2c1 4121451 YFJQLDINZYDPIZ-UHFFFAOYSA-N 354.460 4.280 50 40 FIGB COc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1OC 4155751 UNTNDELBQILTNK-UHFFFAOYSA-N 352.434 4.147 50 40 FIGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1ccccc1Cl 4702520 RNALPRHQSGXDIB-YSFQXMIXSA-N 354.837 4.481 50 40 FIGB N#C/C(=C\c1ccc(O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 5155512 GNUPVTBBWYDHLM-NTUHNPAUSA-N 354.214 4.037 50 40 FIGB O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1cccc(O)c1 33319497 QVTDTDDAZSHGRB-HAHDFKILSA-N 357.413 4.041 50 40 FIGB C[C@]12CC[C@@H]3[C@@H](C[C@@H](Cl)[C@@]4(Cl)C[C@@H](O)CC[C@]34C)[C@H]1CC[C@@H]2O 253503969 BCXBBIBUUYCTPJ-IJFCHDLXSA-N 361.353 4.330 50 40 FIGB biogenic,in-vitro C[C@@H](Oc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1)C(=O)O 408808869 GRLDFISKJGTPIC-DYTQJMLRSA-N 372.218 4.365 50 40 FIGB Cc1ccc2[nH]c(/C(C#N)=C/c3cc(Cl)cc4c3OCOC4)nc2c1 4624877 MLXCUAJEKXGLOS-WLRTZDKTSA-N 351.793 4.455 50 40 FIGB CC(/C=C/c1ccccc1)=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 4646356 BTNFIJPJCYSQSL-BOPGNABRSA-N 372.472 4.367 50 40 FIGB CO[C@@H](C(=O)N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1 59382508 PENSULLXGUHZFR-BQNPTPDXSA-N 360.413 4.317 50 40 FIGB CC(=O)Nc1ccc(N/C=C(\C#N)c2nc3cc(Cl)ccc3o2)cc1 101110601 DCQSOXCMXJTJHX-ZRDIBKRKSA-N 352.781 4.416 50 40 FIGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1C 408549197 QQBMBOAAJSIAJJ-BOPFTXTBSA-N 350.418 4.120 50 40 FIGB Cc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(F)cc2)C3)cc1 408727136 DMEPTUFVFFFYNI-MXAYSNPKSA-N 373.431 4.418 50 40 FIGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 622737 CGQSKLPNAGQZDN-KRWDZBQOSA-N 374.469 4.325 50 40 FIGB CC(=O)Nc1ccc(N/C=C(/C#N)c2nc3cc(Cl)ccc3o2)cc1 974117 DCQSOXCMXJTJHX-BENRWUELSA-N 352.781 4.416 50 40 FIGB Cc1cc2sc(NC(=S)NC(=O)CCCCl)nc2cc1Cl 6826391 VTXAUXVTANMLJW-UHFFFAOYSA-N 362.307 4.090 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3C)o2)c([N+](=O)[O-])c1 9201046 LAZYNXGLVCSSKE-CIAFOILYSA-N 363.373 4.236 50 40 FIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1cccc(Cl)c1Cl 20086221 YCDBCFFGNABNSF-OAHLLOKOSA-N 356.216 4.161 50 40 FIGB O=C(N/N=C\c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCCCC1 31670130 OVZBRNJFFQZLFD-MLPWYGTASA-N 355.869 4.017 50 40 FIGB Cn1cc(/C=C2/C(=O)OC(=O)C2=C2C3CC4CC(C3)CC2C4)c2ccccc21 100479035 PCERBWFZAMREHK-IEDMXBAFSA-N 373.452 4.398 50 40 FIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 409377815 LCJAKSHKRBCONP-STZFKDTASA-N 371.440 4.361 50 40 FIGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(F)cc2)cs1 971777 PEMJRXNKKOIWPD-GXDHUFHOSA-N 364.405 4.025 50 40 FIGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccco1 4545172 CDPCBKFIUOVLQA-CIAFOILYSA-N 354.793 4.276 50 40 FIGB CCOC(=O)Cn1cc(/C=C(/C#N)c2cccc(C#N)c2)c2ccccc21 17073445 FPHGFYGPUJCRHO-WQRHYEAKSA-N 355.397 4.140 50 40 FIGB COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 33282875 GCAUMUFRTKHLJP-LCYFTJDESA-N 357.207 4.003 50 40 FIGB CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1C 96316171 BJNGZCVQTRZGGJ-KPKJPENVSA-N 363.248 4.372 50 40 FIGB CC(C)(C)OC(=O)N(CCCCBr)C(=O)OC(C)(C)C 219826306 CNZZVGZZNDHYBP-UHFFFAOYSA-N 352.269 4.334 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1 408851435 JZQYDEDRQGWZFU-WSDLNYQXSA-N 354.450 4.412 50 40 FIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1ccccc1 409141950 JSTFWKNHLOOHGB-QFIPXVFZSA-N 370.408 4.189 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1C1CCCCC1 858067 JWTUZPAJVRVMGZ-FYJGNVAPSA-N 368.437 4.282 50 40 FIGB Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 1052551 FUGIGLVKIPBUAB-FSJBWODESA-N 367.836 4.471 50 40 FIGB S=C(NCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1 2577633 KEFCXEVNGOFPAP-UHFFFAOYSA-N 367.479 4.192 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)cc1OC 2670452 BSELBYINZZCZFD-LFIBNONCSA-N 366.417 4.125 50 40 FIGB COc1ccc2c(c1)C[C@@H](C)C/C2=N\NC(=O)Cc1cccc2ccccc12 4462203 JTSZJTNHUYSOEN-CRDSNDKQSA-N 372.468 4.494 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1Cl 7893957 ZXYDDEPOBOUGIW-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB O=C1CCCC2=C1[C@H](c1cccs1)N(C(=O)CCl)c1ccccc1N2 12861972 WHCSXLYFRJDOHC-IBGZPJMESA-N 372.877 4.494 50 40 FIGB Cc1ccccc1-n1cccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1 408541633 DUNUEFWEUFDNPG-LGMDPLHJSA-N 371.396 4.030 50 40 FIGB CCCCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2063779 QLEZABCYLANCOU-IBGZPJMESA-N 366.461 4.316 50 40 FIGB CC(C)=NNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 59499251 PHJRCARLJYEQCV-UHFFFAOYSA-N 361.239 4.154 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 171752779 ZBARZCVLINMHIK-MDWZMJQESA-N 371.780 4.111 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)c1C 23217709 AOMIXMONRASFFH-RIYZIHGNSA-N 355.781 4.411 50 40 FIGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)c(OC)c1 408816630 JWRYEITUSYQSQL-HMAPJEAMSA-N 365.433 4.052 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(O)cc1 408743679 UGJDAFIIUSJBMB-AQTBWJFISA-N 357.413 4.345 50 40 FIGB N#C/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 33659242 CSKSGBBMIPOYLR-OWOJBTEDSA-N 359.179 4.473 50 40 FIGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(N(C)C)o3)sc2c1 2768736 YKDLEKUMNJGGBC-DJKKODMXSA-N 361.854 4.286 50 40 FIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cccs3)o2)cc1Cl 5514079 ZZUXVQXSAOSRHP-VXLYETTFSA-N 360.822 4.434 50 40 FIGB Cc1cccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 5827158 OOBZMXFQTRCMQR-LERPTODRSA-N 361.470 4.482 50 40 FIGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 6813166 YZKZSARHVNGWHD-GOSISDBHSA-N 374.469 4.229 50 40 FIGB O=C(c1ccccc1)[C@H]1[C@@H]2[C@@H]3C[C@@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1 100887842 DYGLKPUISJDAQN-RRUHPTRMSA-N 353.849 4.322 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2C)cc1 408779146 AMHFSJBRKLRQDT-LTGZKZEYSA-N 356.491 4.167 50 40 FIGB Cc1ccc(CSCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 408780050 QZDKVOQDTZDKPA-WSDLNYQXSA-N 364.470 4.237 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1 408911484 ZNUSBALFVHTWQI-XQNSMLJCSA-N 368.477 4.265 50 40 FIGB Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)c1 4185835 BKXQNFXEAWFQFH-DOPJRALCSA-N 364.283 4.092 50 40 FIGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3)cc2)cc1 5600213 BIXDSJYVGAJKQU-MFKUBSTISA-N 369.424 4.210 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)c1ccco1 9320169 UODQGBWJDHXARI-DJKKODMXSA-N 363.204 4.131 50 40 FIGB COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1nc2ccccc2s1 21919416 STMRGYUHCWGZFU-KEBDBYFISA-N 359.838 4.112 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2F)o1 252489367 JPFDRPOQLNETGV-YFHOEESVSA-N 364.170 4.318 50 40 FIGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccccc2N)c1C 408998307 PWLQTDYJBNTLOK-CFRMEGHHSA-N 360.461 4.057 50 40 FIGB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CCl 2619052 MRBWTEJDIAVPNJ-UHFFFAOYSA-N 358.246 4.423 50 40 FIGB CCN1c2ccc(/C=N/NC(=O)Cc3ccccc3)cc2[C@@H](C)CC1(C)C 223528927 MLMKCBALPKXXDM-FLVDCRJSSA-N 363.505 4.492 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 3570573 CLQSVKUXHHMFIZ-UKTHLTGXSA-N 357.207 4.003 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OC)c1 5585323 HMNPBENUAQYTEV-QGOAFFKASA-N 363.461 4.396 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(C)cc1C 13595737 YMEPVOQLDQPREF-XSFVSMFZSA-N 359.267 4.149 50 40 FIGB O=c1cc(CCl)nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1 16158847 NZLXIVQWRKGQFX-UHFFFAOYSA-N 356.653 4.213 50 40 FIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1c(Cl)cccc1Cl 20086235 NVANTOMSRRZVJW-OAHLLOKOSA-N 356.216 4.161 50 40 FIGB O=C(CCl)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1 20131833 LFCCKTTWCQTMOX-UHFFFAOYSA-N 350.802 4.192 50 40 FIGB CC(C)(C)N(O)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1 104202970 VURLRYHIEWVYNQ-UHFFFAOYSA-N 365.413 4.320 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1 408762916 NBRQGSOSMQLLAX-JXAWBTAJSA-N 361.445 4.281 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1OC 408779856 MIPOQXDEQCWENH-YBEGLDIGSA-N 366.417 4.037 50 40 FIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1cccc(C)c1C 408959555 AXNRCENSSGWNRK-HMAPJEAMSA-N 350.466 4.368 50 40 FIGB N#CC(C#N)=Cc1ccc(OCCOc2ccc(Br)cc2)cc1 6221424 LLDAGYWXZAHRSC-UHFFFAOYSA-N 369.218 4.337 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 12493812 ASCACPZMDRAYKN-HYARGMPZSA-N 354.450 4.155 50 40 FIGB C=C(C)[C@H]1CC=C([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)CC1 20086125 QXBOYGHAOKCXKO-IFXJQAMLSA-N 373.456 4.011 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C 408813218 QEFNALBUQXXJDF-CYZZPVNYSA-N 372.468 4.454 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cc(C(C)C)c(O)c(C(C)C)c2)c1 408856185 PNANSSYYCACQID-WSDLNYQXSA-N 354.450 4.412 50 40 FIGB CC(C)n1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c2ccccc21 409158094 WMYWHRLQDLJXHH-SSDVNMTOSA-N 369.852 4.405 50 40 FIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c1 409227016 WYZCIEHTHYPWPN-SRZZPIQSSA-N 367.336 4.066 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cn1 1063920 DWNYOOQOOHMTDY-AFUMVMLFSA-N 368.440 4.157 50 40 FIGB O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 3112181 FISHLWUXXFJTKV-VQSRTKSSSA-N 369.424 4.368 50 40 FIGB N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 4083219 NBWBUAOWPOCICA-FYWRMAATSA-N 353.853 4.487 50 40 FIGB Cn1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)c2ccccc21 13570239 BHRRWJYLGJZNGB-JLHYYAGUSA-N 358.426 4.334 50 40 FIGB O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccccc1OCc1ccc(F)cc1 38332106 RIIPNLIAQKLWLV-BLJMEQHCSA-N 350.393 4.087 50 40 FIGB O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 3209283 WKQVSHCJYVDSJQ-GONAIXDFSA-N 371.396 4.442 50 40 FIGB CC/C(=N\NC(=O)c1ccc(OC)c(OC)c1)C12CC3CC(CC(C3)C1)C2 20551558 SAYJUQXJGJXRDG-BSYVCWPDSA-N 370.493 4.416 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 59116764 QWVKBWBKVHLXIT-PTNGSMBKSA-N 354.381 4.169 50 40 FIGB N#C/C(=C/c1ccccc1I)c1cccc(C#N)c1 408566527 HHRXQODISVTHQD-DHDCSXOGSA-N 356.166 4.227 50 40 FIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1 408799321 KJSCBGQBCPJTFJ-CLXYIWAZSA-N 352.409 4.226 50 40 FIGB COC(=O)N/N=C/c1cn(C[C@H](C)COc2ccccc2)c2ccccc12 2365417 DPHDPRRPFQCDMK-BFTVFPACSA-N 365.433 4.046 50 40 FIGB CN(C)c1ccc(/C=C(/C#N)c2cccc(I)c2)cc1 17159576 JOCPFCAQIIZBJL-GDNBJRDFSA-N 374.225 4.421 50 40 FIGB O=C(N/N=C\c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCCCC1 31670129 OVZBRNJFFQZLFD-UQRWVXEISA-N 355.869 4.017 50 40 FIGB N#C/C(=C(/O)CO/N=C/c1ccccc1Cl)c1nc2ccccc2[nH]1 101646932 OOZONVZHMYHIEP-YKLGPVPYSA-N 352.781 4.060 50 40 FIGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(N)=S 107637034 LHVZRZJXHMSLMJ-ZSOIEALJSA-N 373.275 4.221 50 40 FIGB CCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc3ccccc3c2)cc1 672132 IUTASNSFSPPAFS-BUVRLJJBSA-N 359.429 4.342 50 40 FIGB C=CCn1cc(/C=N/NC(=O)c2ccc(OCCC)cc2)c2ccccc21 20197550 MRYOLMAWWOYCFB-HZHRSRAPSA-N 361.445 4.380 50 40 FIGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1cccc(C)c1 409013913 OLOCGHDDEHUKHG-SRZZPIQSSA-N 360.841 4.096 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC 5906381 WMIQUWRRBFMYBP-KEBDBYFISA-N 367.232 4.165 50 40 FIGB O=C(NNC(=O)C1CCC(c2ccccc2)CC1)c1ccccc1Cl 894484 SITBCWGLLQESSH-UHFFFAOYSA-N 356.853 4.075 50 40 FIGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 4724488 YVZNGNLBRKHRKK-AKVUPHRLSA-N 365.433 4.146 50 40 FIGB O=C(CCSC(=S)Nc1ccc(Cl)cc1)NNc1ccccc1 6575445 MWEHUOMLXUESHL-UHFFFAOYSA-N 365.911 4.303 50 40 FIGB COc1cc2c3c(c1)-c1c(ccc(OC)c1OC)C[C@H]3N(CCCl)CC2 31949729 FFIBFFFBEZJXSW-QGZVFWFLSA-N 373.880 4.074 50 40 FIGB COCCCOc1cc(C[C@H](CBr)C(C)C)ccc1OC 56955826 ICJBMWOVLFPLFP-OAHLLOKOSA-N 359.304 4.320 50 40 FIGB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2[C@H](Br)N(O)c1ccccc1 100367270 WDPDSCLUQNSCNY-SHFYGJNESA-N 352.272 4.245 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C 107848463 XZWPSJQITJDOLR-VKGPJKCPSA-N 360.457 4.128 50 40 FIGB CC(C)(C)Oc1ccc(C(=O)[C@H](Br)CBr)cc1 575357746 NWDDRKMLUROGOP-LLVKDONJSA-N 364.077 4.205 50 40 FIGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C(F)(F)F)c1 6414611 QGYLLPZPHDLQHZ-JYRVWZFOSA-N 374.318 4.022 50 40 FIGB O=C(N/N=C(/Cc1nc2ccccc2[nH]1)c1cccs1)c1ccccc1 35730050 NJYBFMNRSOVWGX-QJOMJCCJSA-N 360.442 4.001 50 40 FIGB Clc1cc2c(cc1Cl)N[C@@H](Br)[C@H](Br)N2 97971795 RQOASEPGDQTBCL-HTQZYQBOSA-N 360.864 4.273 50 40 FIGB O=C(Nc1ccccc1C(=O)N/N=C/C=C/c1ccccc1)c1ccccc1 113444414 HDPJOMIJRPMRNL-CFSDDKQLSA-N 369.424 4.368 50 40 FIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(Br)cc2)cc1 408566970 JKWMZVVFOCFKSI-FYJGNVAPSA-N 373.294 4.439 50 40 FIGB COc1ccc(/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)cc1 408583211 SLCPMDKYQNJJSF-NTUHNPAUSA-N 360.207 4.236 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)CSCc2ccccc2Cl)c1 408719667 JLMVHMLAEVKFCA-CIAFOILYSA-N 374.893 4.288 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)cc1C 408797777 SXVSQLWOPYPSHJ-MHWRWJLKSA-N 365.820 4.405 50 40 FIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408801012 RCNIBNJRRSMNON-OYGDSYQHSA-N 373.796 4.330 50 40 FIGB Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 409090396 NBAPBQCMZHIFEL-MFKUBSTISA-N 369.424 4.210 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 805097 BSGTZYVQMJSKNE-WSDLNYQXSA-N 368.820 4.438 50 40 FIGB CCSc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)o1 814487 CNZUQQWASIOVJC-INIZCTEOSA-N 358.463 4.151 50 40 FIGB O=C(CBr)Oc1ccc(-c2cccc(Br)c2)cc1 1621473 YMXUKVOCPABUAQ-UHFFFAOYSA-N 370.040 4.416 50 40 FIGB CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1 2669542 MAGHHHCUXWITGN-DTQAZKPQSA-N 352.390 4.172 50 40 FIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 5205562 KTEUAWVJVQYUEE-CIAFOILYSA-N 356.491 4.202 50 40 FIGB F[C@@H](OC(F)(F)F)C(F)(F)Oc1ccc(CBr)cc1 98210766 FUBBBHGJMIJKGA-QMMMGPOBSA-N 353.056 4.385 50 40 FIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc2ccccc12 408885496 AXZFKPIVESBVGX-LFIBNONCSA-N 373.368 4.302 50 40 FIGB O=C(N/N=C/c1ccco1)c1cccc(COc2ccccc2Cl)c1 654900 SVHUTUPXKWEPDT-CIAFOILYSA-N 354.793 4.276 50 40 FIGB O=C(Nc1ccc([N+](=O)[O-])cc1)NN(Cc1ccccc1)c1ccccc1 43467308 BZPVNLLVPFMVQU-UHFFFAOYSA-N 362.389 4.338 50 40 FIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408790990 ZWLGGPHNKDIXMD-GXDHUFHOSA-N 356.809 4.293 50 40 FIGB Cc1cc([N+](=O)[O-])ccc1N/C=C(/C=O)c1nc2cc(Cl)ccc2o1 5336869 XCUAKQBPOIVLQF-FLIBITNWSA-N 357.753 4.350 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 211204783 RLGBAMKFYNVRTF-ZROIWOOFSA-N 371.234 4.312 50 40 FIGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)nn2-c2ccccc2)cc1 408724011 CGXNLIPTYGNVOD-HZHRSRAPSA-N 370.412 4.205 50 40 FIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC 408816821 UQCMZSWNVAQNJD-VBKFSLOCSA-N 366.392 4.335 50 40 FIGB Cc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C)OCO2 408983275 AFQWQXMXQFWAKS-VGOFMYFVSA-N 354.793 4.231 50 40 FIGB Cc1c2ccccc2c(/C=C(/C#N)C(=O)N2CCOCC2)c2ccccc12 409000699 ZPKDNBDLYNYQKC-VKAVYKQESA-N 356.425 4.067 50 40 FIGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1 409312563 LUGBLQXEKIJXSQ-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB Cc1ccc(OCCSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1 409317132 OIOAQMXUXQOXQE-SFHVURJKSA-N 364.470 4.146 50 40 FIGB N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccc2c(c1)OCO2 409366820 YWLRSTLMUWXYKG-SXGWCWSVSA-N 359.337 4.438 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1 3264150 NXHDSCRQPXAUNS-QGOAFFKASA-N 367.880 4.410 50 40 FIGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(Br)cc1 4765888 MDQSPZBOKZVPLX-AWQFTUOYSA-N 371.156 4.232 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 7156529 YPLWBKHQYTWJGD-RVDMUPIBSA-N 354.381 4.169 50 40 FIGB Cc1c(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nc2ccccn12 12499176 CAHXRQHEDUSXPX-HZHRSRAPSA-N 370.412 4.199 50 40 FIGB Cc1ccc(-c2cc(C(=O)NNC(=O)CC(C)C)c3ccccc3n2)cc1 17198087 QAKVNOKLQVYGAJ-UHFFFAOYSA-N 361.445 4.017 50 40 FIGB O=C(COc1ccccc1)N/N=C/c1cc2cc(Cl)ccc2nc1Cl 408728499 NNMYXLLPAILNBN-UFFVCSGVSA-N 374.227 4.071 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(F)c1 408966850 NUURLSLJFCJJFG-FOKLQQMPSA-N 367.767 4.375 50 40 FIGB Cc1ccc2c(c1)[C@@H]1C(SC(=O)C(C)C)=[S+]S[C@@H]1C(C)(C)N2 5337718 NKTFTDHBSRPZQG-KBPBESRZSA-N 352.570 4.441 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 5370255 FSEBEZGIYQTNIM-HYARGMPZSA-N 354.450 4.155 50 40 FIGB CC1(C)CC(=NNC(=O)c2ccccc2Nc2ccccc2)CC(C)(C)N1 5523097 FXZLKFHKAMKEOX-UHFFFAOYSA-N 364.493 4.457 50 40 FIGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 6209349 JUMFILUJZBMMRY-RVDMUPIBSA-N 370.330 4.263 50 40 FIGB CCc1cc(SC#N)cc(C)c1NS(=O)(=O)c1cccc(C(C)=O)c1 6623331 JNLJVABVNFENGM-UHFFFAOYSA-N 374.487 4.134 50 40 FIGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1 59533731 ADVZTDSMCPXTBQ-JYRVWZFOSA-N 357.207 4.003 50 40 FIGB CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CCOc2c(Cl)cccc21 95468999 LXVNMPBTJDXWAO-AAEUAGOBSA-N 360.679 4.089 50 40 FIGB O=[P@@](c1ccccc1)(c1nc2ccccc2s1)N1CCCCCC1 100845041 KEGWWZKMOJKEDQ-QHCPKHFHSA-N 356.431 4.401 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1C(C)(C)C 408544114 UTZCBTSKPLLYSK-YVLHZVERSA-N 365.433 4.104 50 40 FIGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC 408794655 AIANNSLWGDLFQI-KPKJPENVSA-N 360.772 4.042 50 40 FIGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccccc1 1444189 ZVZZRYDNXAMYGQ-FYJGNVAPSA-N 367.246 4.295 50 40 FIGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 3213262 JUPKYUOKPUJOLP-YDZHTSKRSA-N 363.383 4.316 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1C 4691021 UQRBFMWPPJKJHH-RIYZIHGNSA-N 371.234 4.317 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)c(Cl)c2)c(C)c1 20195472 NCMQMHDXSSMMIG-WSDLNYQXSA-N 358.869 4.437 50 40 FIGB C/C(=C\C(=O)c1ccccc1)NNC(=O)c1ccc(-c2ccccc2)cc1 59489072 DXHYREYYYVXKNB-WUKNDPDISA-N 356.425 4.375 50 40 FIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1 223173760 AXWHZHOUIIAJJT-UVTDQMKNSA-N 374.318 4.038 50 40 FIGB CC1(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)SCCS1 1105185 YMMQRYXMZGNRII-YBFXNURJSA-N 364.467 4.122 50 40 FIGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccccc1F 4922764 GYDXHGDQKXRAOO-INIZCTEOSA-N 365.433 4.045 50 40 FIGB CCOc1c(C)cc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1C 20195488 AQLHOWADAYXKNK-PTGBLXJZSA-N 352.478 4.402 50 40 FIGB CO[C@@H](C(=O)N/N=C/c1cc2cccc(C)c2nc1Cl)c1ccccc1 408728590 PGWDZWQZIBVGPA-FNLSEGDXSA-N 367.836 4.034 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1 408999437 CVFLSNKLQVNRMW-BUVRLJJBSA-N 371.440 4.320 50 40 FIGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)c1 409377014 FAZIOTFAGOMFLA-ATVHPVEESA-N 354.413 4.327 50 40 FIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1C(F)(F)F 5362379 MLPNGVVEFHNOMP-OVMKCGGTSA-N 352.381 4.336 50 40 FIGB O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/C=C/c1ccccc1 13882076 GSTJZTIXKLVFQW-VQSRTKSSSA-N 371.440 4.374 50 40 FIGB CO[C@@H](C(=O)N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccccc1 20243984 NSVKNURGYVOCFR-BQNPTPDXSA-N 360.413 4.317 50 40 FIGB COc1ccc(NC(C)=O)cc1NC(=O)CCCC[C@@H]1CCSS1 25403606 DQASKRZLJZWMBC-CQSZACIVSA-N 368.524 4.306 50 40 FIGB biogenic CNc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1[N+](=O)[O-] 63412602 RVZMBQZTAPPWME-RIYZIHGNSA-N 363.402 4.219 50 40 FIGB COc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1 409371269 GVQWMQXRFBCUHS-UVTDQMKNSA-N 361.182 4.364 50 40 FIGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccccc3F)c2c1 685538 BBEOHFILWYFTQW-SSDVNMTOSA-N 367.449 4.233 50 40 FIGB O=C(CCCc1c[nH]c2ccccc12)N/N=C/c1c(F)cccc1Cl 705566 YDKYNKJEAILSPC-FSJBWODESA-N 357.816 4.433 50 40 FIGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 4150196 MWTDEAWHGNNZAO-MRXNPFEDSA-N 366.465 4.104 50 40 FIGB COc1ccc(O)c(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1 33339785 BKMOVDWQLDVLCS-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB CC(C)[C@@H](Br)C(=O)Nc1ccc(Br)cc1Cl 37387859 QJGKLPKUCIRPBA-SNVBAGLBSA-N 369.484 4.461 50 40 FIGB Cc1ccc2c(c1)/C(=N\NC(=O)c1cc(C)n(-c3ccccc3)c1C)C(O)=N2 57607809 MVOBSDGOPWRMNO-UHFFFAOYSA-N 372.428 4.138 50 40 FIGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(N)=S)cc2[N+](=O)[O-])cc1 408541296 AFSRKKCULRWUHJ-JYRVWZFOSA-N 355.444 4.248 50 40 FIGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)o1 408746594 SXCVVZRZYLKABK-WJDWOHSUSA-N 372.380 4.499 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccco3)cc2)c1 408766643 WEUPJDUCZKCTRU-GHRIWEEISA-N 372.380 4.353 50 40 FIGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408794683 ATONGVZAXBOVKC-GZTJUZNOSA-N 350.418 4.256 50 40 FIGB C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCc1ccc(C)cc1 409014686 YBCQOINEKILBAV-OEAKJJBVSA-N 366.461 4.171 50 40 FIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cccs1 409125121 JCOMIOYLYKOGMR-REZTVBANSA-N 359.303 4.438 50 40 FIGB C/C(=N\NC(=O)Cc1c[nH]c2ccccc12)c1cccc(Br)c1 4697715 AOOANGMPBBFKCM-CIAFOILYSA-N 370.250 4.013 50 40 FIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1C 12843955 XAOCXLKULWJUKF-ZVBGSRNCSA-N 365.260 4.448 50 40 FIGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 58883467 KFJOYKBKKWDHBK-WSDLNYQXSA-N 371.868 4.035 50 40 FIGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3O)c2C)cc1 408755349 UFTGAKIPFCRBDY-UCQKPKSFSA-N 361.445 4.126 50 40 FIGB CC(=C/c1ccccc1)/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 3226801 WGEQVXJRNUZPEJ-YPLSKRDJSA-N 361.367 4.323 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(O)c1 408743913 CILCGTATMUYNFM-PTNGSMBKSA-N 369.852 4.437 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccnc1 408856319 BYWGHCKFRVTWTI-GZTJUZNOSA-N 360.392 4.174 50 40 FIGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccc2ccccc12 2385112 BDPPOSZAEFWKFA-HZHRSRAPSA-N 355.397 4.100 50 40 FIGB COc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 3029033 OGDRXSKCKRSAEF-HZHRSRAPSA-N 360.413 4.135 50 40 FIGB CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1 5951168 QBYDQDZSLUIXQX-CJLVFECKSA-N 354.450 4.418 50 40 FIGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cccc([N+](=O)[O-])c1 59505804 HREFDUXGRVHVCD-XDHOZWIPSA-N 367.386 4.103 50 40 FIGB CCN1c2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2C(C)=CC1(C)C 208507145 LPLRZGBEMYZUEX-OEAKJJBVSA-N 363.461 4.178 50 40 FIGB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN=C=S)cs1 3399131 VCJRYZDMXZVGOE-UHFFFAOYSA-N 357.382 4.449 50 40 FIGB N#CC1=C(N)NC(SCc2ccc(F)cc2)=C(C#N)C12CCCCC2 4102607 JJMCWTNJJONPRD-UHFFFAOYSA-N 354.454 4.042 50 40 FIGB aggregator Cc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(C)c1O 6614009 AZNMDUSSZMOQJQ-YDZHTSKRSA-N 361.445 4.180 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)cc1 38704560 KIWFNOJSBOEFIT-PEZBUJJGSA-N 365.433 4.214 50 40 FIGB Cc1cc(Br)c(NC(=O)CCCCl)c(Br)c1 3286553 WWRYCOJNYNAFDV-UHFFFAOYSA-N 369.484 4.478 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 4714655 KSBBIBWMYDHVMZ-KOWBDXASSA-N 370.518 4.493 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 1905038 WFOKZRZBRNDJTI-HZHRSRAPSA-N 361.445 4.156 50 40 FIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 5480070 WBDSLRYVEXGDTH-VCHYOVAHSA-N 351.631 4.257 50 40 FIGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4cccc(F)c4)[nH]c(=O)c23)C1 6621749 YTMNAUJASJOBEL-JYVXZMADSA-N 365.433 4.313 50 40 FIGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccncc1 2268525 SEZAGXAGLIWLMA-RGVLZGJSSA-N 357.822 4.243 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OC 16409013 AXWSLGOPMPGUQI-GZTJUZNOSA-N 350.418 4.256 50 40 FIGB CC(C)(C)N(C=C(Cl)Cl)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3664160 HEOYWKARWGQAAE-CAOOACKPSA-N 359.213 4.015 50 40 FIGB N#Cc1ccc(CSCC(=O)N/N=C/c2cccc3ccccc23)cc1 408721710 LLOONUWDQJUGME-YDZHTSKRSA-N 359.454 4.095 50 40 FIGB CCn1c(C)cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1C 409100048 UMUKIWHYIYOWHK-OEAKJJBVSA-N 362.477 4.296 50 40 FIGB Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1 408868933 QACMZGNTJIHLMW-MTJSOVHGSA-N 363.373 4.236 50 40 FIGB CCCc1ccc(C(=O)NNC(=O)C2CCC(c3ccccc3)CC2)cc1 878224 ALXHNJOHSICJNL-UHFFFAOYSA-N 364.489 4.374 50 40 FIGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1 4698701 TYFNDIVSRPJRRI-HKOYGPOVSA-N 371.440 4.282 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(C)cc1 40889268 GNVUPKOKZBXZBE-ODLFYWEKSA-N 364.445 4.014 50 40 FIGB N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336118 ZWEJKVSRXPGBDF-WQLSENKSSA-N 361.184 4.237 50 40 FIGB Cc1ccc(S(=O)(=O)OC[C@@H](CF)O[Si](C)(C)C(C)(C)C)cc1 725326491 DWNMJTVUGSTGNN-CQSZACIVSA-N 362.539 4.060 50 40 FIGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 5164185 RSWYHEYGSZYSMI-GOSISDBHSA-N 372.428 4.002 50 40 FIGB Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c21 5818620 CGQPDJRIVNYREQ-MRXNPFEDSA-N 362.820 4.257 50 40 FIGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 5924063 WJFBPKZPICIRFD-SFHVURJKSA-N 372.428 4.084 50 40 FIGB C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 16790746 TUGPOCUENKFOIO-RGEXLXHISA-N 368.440 4.057 50 40 FIGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 30732511 XZOSPEPGIDDICG-OQLLNIDSSA-N 366.804 4.131 50 40 FIGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccnc3)c3ccccc32)c1 408994174 GVEPSRVHMZGDJJ-AFUMVMLFSA-N 368.440 4.157 50 40 FIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1 857438 DWMADFIHDDPLSD-OAQYLSRUSA-N 372.424 4.080 50 40 FIGB O=C(NNc1ncccc1C(F)(F)F)c1c(Cl)cccc1Cl 1395803 REPOCUFYBOPPHC-UHFFFAOYSA-N 350.127 4.164 50 40 FIGB C[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2315552 YLHHOQSOZYGGIZ-UWVGGRQHSA-N 369.328 4.493 50 40 FIGB O=C(C/C(=N/NC(=O)c1ccccc1Cl)C(F)(F)F)c1cccs1 4481033 WOBRBAIENDQJAO-MOSHPQCFSA-N 374.771 4.323 50 40 FIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c(Cl)c1 5569914 NJCAEMMMYDGJBR-UFWORHAWSA-N 357.624 4.176 50 40 FIGB O=C(N/N=C/c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 6219989 HXPZFZOXKHOWER-OMCISZLKSA-N 362.010 4.113 50 40 FIGB COc1cccc2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)oc12 8169026 PSFMPJSOZQKPGH-WSDLNYQXSA-N 360.369 4.064 50 40 FIGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1ccc2ccccc2c1 100923010 ACQUGNCMOFNFAR-ZVHZXABRSA-N 363.392 4.113 50 40 FIGB O=C1C(Cl)=C(Cl)/C(=C2\C(Cl)=C(Cl)C(=O)[C@H]2Cl)[C@@H]1Cl 104354492 GHVNIBIIVZDISX-WKBLSSNGSA-N 366.842 4.042 50 40 FIGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccncc3)cc21 223476787 XKJIIISVFMZMBC-ZVHZXABRSA-N 362.477 4.256 50 40 FIGB O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccco1 408601289 JOZMDMJPBFOBSJ-SSDVNMTOSA-N 372.783 4.415 50 40 FIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 6948926 ROIFFBKHLJBFGE-MDWZMJQESA-N 371.780 4.193 50 40 FIGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(C)cc3)c21 985598 AJKVRYURPXAALU-GOSISDBHSA-N 372.428 4.002 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC 59418972 KZPLXYMQKCOBOD-KEBDBYFISA-N 367.232 4.165 50 40 FIGB Cc1cc(Br)ccc1N/C=C(\C#N)C(=O)Nc1ccccc1 57414040 CSNKFWXNJRPCDC-ACCUITESSA-N 356.223 4.216 50 40 FIGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1Cl 409054894 HCSRMYVPDIKIHH-SRZZPIQSSA-N 361.228 4.078 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408805819 LSKMHHCKNJYGNF-QGOAFFKASA-N 362.429 4.368 50 40 FIGB COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)CCl 216859410 GZCGYIJTZWUXSK-UHFFFAOYSA-N 351.189 4.334 50 40 FIGB CN1C(=O)[C@@H](C#N)C2(CCCCC2)C(C#N)=C1SCc1ccccc1 95117509 YQFYXFLUILTPCF-MRXNPFEDSA-N 351.475 4.217 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1OC 3289535 YUQNKDFEJKLCAN-GZTJUZNOSA-N 350.418 4.373 50 40 FIGB CCOc1ccc(-c2n[nH]c3c2[C@@H]([C@H]2CC=CCC2)C(C#N)=C(N)O3)cc1 5130039 PKWDSJVWZHARNF-GUYCJALGSA-N 362.433 4.002 50 40 FIGB N#CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 6269952 PGGZTJDLRRGPJC-LSHDLFTRSA-N 371.227 4.236 50 40 FIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(F)cc1 8812324 RQSXNSKDDOSJJH-ZMOGYAJESA-N 366.367 4.308 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2cccc(C#N)c2)c1 9201927 LZBVUEFKIMJULV-MFKUBSTISA-N 369.424 4.210 50 40 FIGB O=C(NNC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 13988893 CTQKTYYGRFMMCV-UHFFFAOYSA-N 361.426 4.344 50 40 FIGB COc1cc(C)c(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1C(C)C 408857999 OOEIDXPGGMYCBK-SSDVNMTOSA-N 374.868 4.310 50 40 FIGB CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59473370 FTGSNQXHOPESNZ-RGVLZGJSSA-N 362.882 4.122 50 40 FIGB CO/N=C/C(C#N)=C/c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3046928 BTDBZOGBAIYTMP-GMJLYEQMSA-N 354.719 4.084 50 40 FIGB CCc1ccc(C(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)cc1 6652502 IIKNLIXOOBWNKO-UHFFFAOYSA-N 372.468 4.232 50 40 FIGB N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)NCCCc1ccccc1 409249699 VFJQWJUTIHRQDX-LGMDPLHJSA-N 358.363 4.361 50 40 FIGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccccc2C)cc1 3031798 IJNZNKPKDGAUHS-XQNSMLJCSA-N 367.493 4.151 50 40 FIGB FC(F)(F)c1cccc2c1[C@@H]1O[C@H]2[C@@H](Br)[C@@H]1Br 96171584 XEKDFSULVJVFFF-QEYWKRMJSA-N 371.978 4.358 50 40 FIGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc21 107899427 ZBCQVDJDBNLCSW-XDHOZWIPSA-N 369.424 4.449 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 208208993 ILSWPDNUZVFBEC-QKIXXSFTSA-N 365.477 4.181 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccnc3)c2C)c(Cl)c1 409051776 MYKQBOZNWLDLLQ-FOKLQQMPSA-N 366.852 4.215 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 677389 BWZMVZWPAYWUOI-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1c(F)cccc1Cl 1065412 JJVADAUYYIWEPA-AWEZNQCLSA-N 366.783 4.087 50 40 FIGB CC/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(O)cc1 5384867 KTWUKDWALXMIJH-RELWKKBWSA-N 374.868 4.444 50 40 FIGB O=C(c1ccc(Cl)c(Cl)c1)[C@H](Br)CBr 306707345 RFIRFVSSLNNQFS-ZCFIWIBFSA-N 360.860 4.335 50 40 FIGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@H](Cl)/C1=N\C(=O)c1ccc(C)cc1 16779941 UXIHZFQSBZZYTN-IZQOGISBSA-N 358.652 4.277 50 40 FIGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 5621103 LPTODRMQWHQLMH-GIJQJNRQSA-N 352.177 4.056 50 40 FIGB CCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 2795792 GAEUROFZCWGKEN-PXLXIMEGSA-N 354.450 4.305 50 40 FIGB N#CC1=C(N)Oc2n[nH]c(CSc3ccccc3)c2[C@@H]1[C@H]1C=CCCC1 4888819 PGJBSYZRIMXJQI-SUMWQHHRSA-N 364.474 4.228 50 40 FIGB C/C(=N\NC(=O)c1ccccc1Cl)c1cccc(Br)c1 5382045 PUIGALLHSUHHSU-VCHYOVAHSA-N 351.631 4.257 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3c(s2)CCCC3)cc(OC)c1OC 5445700 HZPJXBXUJVVFLX-MDWZMJQESA-N 356.447 4.112 50 40 FIGB Cc1ccsc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 6234653 KGMUJUFJGFYNNS-FYJGNVAPSA-N 350.443 4.253 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OC 15222056 FVVKNYOBJYHNRV-BOPFTXTBSA-N 350.418 4.256 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1O 16412187 OWYPFROMKCLVLS-SFQUDFHCSA-N 358.397 4.490 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(C)C 16688811 KOQCUUJCKQHZLJ-SFQUDFHCSA-N 350.418 4.418 50 40 FIGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(C(N)=O)cc1 33662926 UVXYPKKIHQDGTJ-PDGQHHTCSA-N 359.404 4.396 50 40 FIGB CC1(C)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2OC1 225369551 STRNZLSRTGEBRH-OQLLNIDSSA-N 366.392 4.169 50 40 FIGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(=O)O)cc1 6209975 YLTPLWKJMMRSRQ-DHZHZOJOSA-N 361.184 4.237 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(C)n1-c1cccc(F)c1 15013725 GJSQOYALPQXDEH-GZTJUZNOSA-N 351.425 4.199 50 40 FIGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408796052 CYAPVDGOFYXZAV-GXDHUFHOSA-N 356.809 4.293 50 40 FIGB Cc1ccccc1CSCC(=O)N/N=C/c1cccc(C(F)(F)F)c1 408829710 QAPIREDYNCABJD-LSHDLFTRSA-N 366.408 4.397 50 40 FIGB C=CCc1cc(/C=N/NC(C)=O)cc(OC)c1OCc1ccc(Cl)cc1 409011667 OCRMDSHUMOHJOO-WSDLNYQXSA-N 372.852 4.126 50 40 FIGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc2c(c1)OCO2 409365145 QBSCOULKPPQPLQ-ZROIWOOFSA-N 359.337 4.438 50 40 FIGB O=C(NN=C1CCCCCC1)c1ccc(C(=O)NN=C2CCCCCC2)o1 6334432 NAZVKAVETMAAQD-UHFFFAOYSA-N 372.469 4.160 50 40 FIGB O=C(N/N=C\c1ccc2ccccc2c1)c1ccc(Br)cc1 32184217 BWCLUBIYAGZIIJ-NDENLUEZSA-N 353.219 4.366 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408814773 HRCKBLYCIAVUOF-DJKKODMXSA-N 364.785 4.157 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CCc3ccccc3)c2C)c1 409111324 HZMQXWQGKNGTSF-LFVJCYFKSA-N 359.473 4.485 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 33397004 NBWBUAOWPOCICA-SQFISAMPSA-N 353.853 4.487 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)ccc1OC 408743547 GOYQXBFEBCCOHJ-JXAWBTAJSA-N 362.429 4.368 50 40 FIGB CC/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1 4714635 HNXBUAABXUSEIJ-LQFHHUIYSA-N 372.490 4.115 50 40 FIGB CC[C@@H](C)c1ccccc1OCCCOc1cccc(/C=N/NC(N)=O)c1 9425721 LFRPEYLKVRACMX-LGVXEURYSA-N 369.465 4.050 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCC 408872461 DSRBPVYAMQHMEB-FYJGNVAPSA-N 358.825 4.067 50 40 FIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 408954444 SZHWVHTWXPVULD-VKAVYKQESA-N 357.413 4.340 50 40 FIGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 1453975 XVATUMCHOCFKOJ-YRNVUSSQSA-N 363.200 4.253 50 40 FIGB O=C(Nc1ccccc1)OCP(=O)(c1ccccc1)c1ccccc1 2287876 WJDCBRIMHKWHRZ-UHFFFAOYSA-N 351.342 4.207 50 40 FIGB N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3)cc2[C@H]1c1ccccc1 13122560 FZQXCOOHHUVXQR-MNVTYAKESA-N 367.408 4.361 50 40 FIGB CCO/C=N/C1=C(C#N)C2=CCCC[C@H]2[C@@H](c2ccccc2)C1(C#N)C#N 36613059 PLCHNYDPOFTTJG-XONZVBHBSA-N 356.429 4.386 50 40 FIGB CC(/C=C/c1ccco1)=N\NP(=O)(c1ccccc1)c1ccccc1 100385045 XRHORLBDOKZRAS-ACBXSXLDSA-N 350.358 4.187 50 40 FIGB O=C(NN=C1CCCCCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 20933852 SKPGWZVCPDEEMG-UHFFFAOYSA-N 373.460 4.374 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC)c2)c1 408743441 AGCXZACOBCMXHS-WJDWOHSUSA-N 366.417 4.038 50 40 FIGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 78325988 SIRTTXOOMKPRDF-YVLHZVERSA-N 350.418 4.175 50 40 FIGB CCN1C=CC=C/C1=C(/C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 102923595 KXMXJIPHDVXGAY-BMRADRMJSA-N 350.403 4.358 50 40 FIGB CC(C)(CCl)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5099370 SOSPAQQICPMZHI-UHFFFAOYSA-N 360.841 4.076 50 40 FIGB COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 694340 FTYCSZNYGWZISU-YDZHTSKRSA-N 374.396 4.367 50 40 FIGB CC[C@H](C)c1ccc(OCCCOc2cccc(/C=N/NC(N)=O)c2)cc1 4602748 GETNJHXUOXBVBO-PFRBSUFTSA-N 369.465 4.050 50 40 FIGB COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 5720970 JTYJOEKHJUZTAN-HZHRSRAPSA-N 360.413 4.038 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(CC(C)C)c2Cl)cc1 21362146 VPIZZYXUUJUVKZ-NTEUORMPSA-N 372.856 4.055 50 40 FIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OC)c1 408870878 XULUBZZNMHWUNV-OQLLNIDSSA-N 370.836 4.465 50 40 FIGB CC(C)(C)c1cc(/C=N/NC(=O)c2cccnc2)cc(C(C)(C)C)c1O 1475160 IBSKREADECHZCI-FSJBWODESA-N 353.466 4.146 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)cc1C 5740481 YWKIYMRUPPHIDO-YDZHTSKRSA-N 361.445 4.180 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OC 6050423 XJDRWCQEJSGRDN-QVEXMKBASA-N 372.490 4.044 50 40 FIGB CNC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 32116842 GOZIXCYXPDDNDT-WQLSENKSSA-N 373.821 4.052 50 40 FIGB BrCCCOc1c(Br)cccc1Br 36723925 LMRBFBUUUIQJQA-UHFFFAOYSA-N 372.882 4.375 50 40 FIGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 408790040 MNVQGPOXGDMCEF-MDWZMJQESA-N 372.211 4.441 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(O)c1 408793081 NEBNJLQWIUOARV-LDADJPATSA-N 363.461 4.401 50 40 FIGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1)OCO2 409098138 NLOIRMUUZRSEDU-NTUHNPAUSA-N 370.792 4.013 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccccc2Br)cc1 1788458 FHIHCIMZVNDEAP-XNTDXEJSSA-N 362.248 4.096 50 40 FIGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 7210551 NUIPFBNBAOQPKX-LFIBNONCSA-N 350.805 4.206 50 40 FIGB C/C(CCc1cccc(C(F)(F)F)c1)=N\NC(=O)Cc1nc(C)cs1 63373613 BDERTPNCPZAZJG-SSDVNMTOSA-N 369.412 4.138 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 408720109 SCWKYSKYZOMEPQ-ZFMLPXDISA-N 356.491 4.247 50 40 FIGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408890947 ISQHHBHHLVVPQX-KPKJPENVSA-N 361.279 4.159 50 40 FIGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2O)c1C 408968432 WOZAJFCUUVZYKF-UCQKPKSFSA-N 361.445 4.126 50 40 FIGB COc1cccc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)c1OC(C)C 409009703 BMNBGHYAZHVTOJ-MTJSOVHGSA-N 355.438 4.255 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)o1 3423621 YWRXYVONXFNVEG-WSDLNYQXSA-N 352.365 4.070 50 40 FIGB COCCCNC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5006583 SGRZCTZYBGOCTC-LFIBNONCSA-N 372.509 4.047 50 40 FIGB COc1ccc(SC[C@@H](Cl)CS(=O)(=O)c2ccc(C)cc2)cc1 9614765 OIBRCYVPOUHEBP-CQSZACIVSA-N 370.923 4.177 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(C)c(C)c1 13595732 CYFWHDAUBXBVQU-XSFVSMFZSA-N 359.267 4.149 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(OC)c1 16678446 VRLSWAXJAWFIQK-VBKFSLOCSA-N 367.424 4.226 50 40 FIGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccn1 408867516 KGISLQPQYAPSSL-YDZHTSKRSA-N 359.454 4.035 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccn1 409244796 IWORVNLWAQMFDK-RHTHQAGFSA-N 370.456 4.274 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12 825781 ZMEYSZLLVYTWAR-AWDKRIBESA-N 367.449 4.374 50 40 FIGB N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 33669346 WKPPLPNUEKVSLB-XFFZJAGNSA-N 369.178 4.298 50 40 FIGB O=C(c1ccccc1)[C@@H]1[C@@H]2[C@@H]3C[C@@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1 100887840 DYGLKPUISJDAQN-FXALTLAESA-N 353.849 4.322 50 40 FIGB O=C(Cc1ccccc1)N/N=C/c1cc2cc(Cl)ccc2nc1Cl 408728867 VTZMCBNWRPHWDH-SRZZPIQSSA-N 358.228 4.234 50 40 FIGB C/C(=N\NC(=O)Cc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 408863196 LSIPTHJUPBWIQE-KOEQRZSOSA-N 371.440 4.022 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1 408906422 JFGNSHKLNRHJQP-XQNSMLJCSA-N 366.461 4.041 50 40 FIGB Cc1ccn2c(C(=O)N/N=C/c3cccc(Cl)c3Cl)c(C)nc2c1 409014091 OVFIMZXWTSAWSS-AWQFTUOYSA-N 361.232 4.022 50 40 FIGB Cc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc1 409248233 CUSPMESPJJAPJT-LPYMAVHISA-N 371.868 4.216 50 40 FIGB O=[N+]([O-])c1ccc(OP(=O)(Cl)Oc2ccc([N+](=O)[O-])cc2)cc1 72399753 SIUMNXFSXCQDCF-UHFFFAOYSA-N 358.630 4.308 50 40 FIGB in-vitro CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408796090 DKIBTKDVPPEHCX-GZTJUZNOSA-N 350.418 4.256 50 40 FIGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 408960237 KBAZOXRMVCQADX-ZVHZXABRSA-N 360.461 4.124 50 40 FIGB N#CC1=C(SCc2ccc(F)cc2)NC(=O)[C@@H](C#N)C12CCCCC2 988729 RCMUTJGMTHZKIS-OAHLLOKOSA-N 355.438 4.014 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 1215697 BQNWMTHRTVFEGR-FSJBWODESA-N 367.836 4.471 50 40 FIGB CC1=CC(=C(C#N)C#N)C=C(C)N1c1ccc(I)cc1 3177519 AFIFVPJVEQSLLI-UHFFFAOYSA-N 373.197 4.263 50 40 FIGB COC(=O)N/N=C/c1cn(CCOc2ccccc2Cl)c2ccccc12 4091868 QJFPIRAXJLNJHT-CIAFOILYSA-N 371.824 4.064 50 40 FIGB CC[C@H](C)c1ccc(OCCOc2ccccc2/C=N/NC(C)=O)cc1 4499473 XKRHZZUGKDXSHO-PZBNQXIHSA-N 354.450 4.128 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)cc1 6047936 LOERHQLKXGOOGW-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc(Cl)cc1 107871925 QWJLMSKBORXCSI-WSDLNYQXSA-N 359.832 4.152 50 40 FIGB CCN1c2ccc(/C=N/NC(=O)Cc3ccccc3)cc2[C@H](C)CC1(C)C 208303188 MLMKCBALPKXXDM-MXJLDLDKSA-N 363.505 4.492 50 40 FIGB CCc1cc(C(=O)N/N=C/c2ccc3ccccc3n2)c2ccccc2n1 2285856 IYQRDSBWXPZODR-OEAKJJBVSA-N 354.413 4.109 50 40 FIGB Cc1ccc([C@H]2CC(=O)N3CN(CCC(C)C)CSC3=C2C#N)cc1 20348051 JXBYSZFVDBCBJC-QGZVFWFLSA-N 355.507 4.056 50 40 FIGB C#CCn1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 408600122 UXAXLSOCFLZBQD-BUVRLJJBSA-N 357.457 4.336 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccc2ccccc2c1 409072250 BLSKQCUYZQJLNB-BUVRLJJBSA-N 361.420 4.343 50 40 FIGB COc1ccc(NC(=O)C(=O)NN=C2CCCCCCCCCCC2)cc1 59515783 PNMZMRNLVMDDLH-UHFFFAOYSA-N 373.497 4.411 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 6568750 FNGSPSRTGNCSLG-SFQUDFHCSA-N 374.469 4.422 50 40 FIGB CC[C@@H](Nc1cccc(Br)c1)C(=O)NN=C1CCCC[C@@H]1C 5737247 NEPRCGZIZAZBAP-SWLSCSKDSA-N 366.303 4.322 50 40 FIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1 408825808 AHXGSMTVJWWOER-RCCKNPSSSA-N 353.422 4.377 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(Cl)c1O 40139919 MHJHELFTTXLCNC-NYYWCZLTSA-N 370.767 4.464 50 40 FIGB CC(=O)N/N=C/c1ccc(OCCOc2cc(C)ccc2C(C)C)cc1 4499470 JPUSAZRUEUETMV-HYARGMPZSA-N 354.450 4.046 50 40 FIGB CCCOc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1 4678027 SKIPSBOULCEVBG-SKRBABGKSA-N 374.444 4.295 50 40 FIGB Cc1cc(/C=N/NC(=O)C2CC2)c(C)n1-c1cccc(Cl)c1Cl 8105075 XEWLBAVSWNTHBI-AWQFTUOYSA-N 350.249 4.261 50 40 FIGB C[C@@H]1C/C(=N/NC(=O)Cc2cccc3ccccc23)c2ccc(O)cc2C1 32116400 RNEVJLPKRCWBQS-QEMJGJMLSA-N 358.441 4.191 50 40 FIGB N#C/C(=C/c1ccc(F)c(Br)c1)C(=O)c1ccc2c(c1)OCO2 44028691 HQFQUBNRSSUXRF-XGICHPGQSA-N 374.165 4.107 50 40 FIGB COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 408541519 BQQHZXYWKMFEQI-OVCLIPMQSA-N 363.417 4.270 50 40 FIGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OC 408602902 OWBZNLDUJDWRHC-OVGFGYAMSA-N 350.418 4.418 50 40 FIGB CCOc1ccc(NC(=O)N/N=C\c2cccc(OC)c2OC(C)C)cc1 409019421 ZDHJNJIGTIYWOF-BKUYFWCQSA-N 371.437 4.037 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cccc(C)c3nc2C)cc1 4091522 FZFVFLXOQQYRER-BUVRLJJBSA-N 374.488 4.462 50 40 FIGB CC/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4651667 IZMBCUDWYPLKCX-UZYVYHOESA-N 355.438 4.307 50 40 FIGB CC/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(O)cc1 5024458 GIOOBROYQGVZKQ-ZHZULCJRSA-N 371.487 4.025 50 40 FIGB O=C(O)c1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 6243732 OQCQPXLPHHDKEE-DJKKODMXSA-N 358.806 4.017 50 40 FIGB CCN1c2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2[C@H](C)CC1(C)C 208304631 DCLSAKNZIALWEB-QKIXXSFTSA-N 365.477 4.268 50 40 FIGB COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl 408747143 JNBQORRDZFFFBV-AUWJEWJLSA-N 361.228 4.225 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1OCC 408880216 GPKOWEMKOABORB-KGENOOAVSA-N 372.490 4.117 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)c([N+](=O)[O-])c1 408896206 QGQLBABJFMSLFU-LFIBNONCSA-N 373.368 4.302 50 40 FIGB C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1cccc(N)c1 5005253 FFTPPEZZDDBOJZ-KDPMPHTCSA-N 369.468 4.115 50 40 FIGB C/C(=N/NC(=O)c1ccc(C)o1)c1cccc(NC(=O)C2CCCCC2)c1 5942767 VQFBARVHADCFLE-HAHDFKILSA-N 367.449 4.261 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 7159172 OHGUQCXSOPLKND-RVDMUPIBSA-N 368.820 4.459 50 40 FIGB Cn1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 23411020 TXASWHZEUNDJRU-YDZHTSKRSA-N 363.461 4.005 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1cccc([N+](=O)[O-])c1 33654231 GFKSRYPPSLRTMX-VBKFSLOCSA-N 359.341 4.148 50 40 FIGB O=C(N/N=C/c1ccccn1)c1ccc(CSCc2ccccc2)cc1 59473797 RMVSXXCZAULRKP-OEAKJJBVSA-N 361.470 4.279 50 40 FIGB CC(C)(C)c1cc(/C=N\NC(=O)c2ccccc2N)cc(C(C)(C)C)c1O 169893799 MTMUCBUFMWQBAY-CFRMEGHHSA-N 367.493 4.333 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1 408798861 JCTUWEOHWRVKQK-OBGWFSINSA-N 352.393 4.397 50 40 FIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)o1 408850690 CLWSYOMCZIIWGB-KAMYIIQDSA-N 355.825 4.387 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(OC)c1 5879880 VVSFTURVDRQQTP-SFQUDFHCSA-N 358.397 4.403 50 40 FIGB Cc1nn(C)c(C)c1/C=C/C(=O)NNc1c(Cl)cc(Cl)cc1Cl 15434525 GCHKGIACPXRQKS-SNAWJCMRSA-N 373.671 4.154 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(OCC)c1 17074900 IMDRLZFTHLPGQD-YZYPPFLQSA-N 364.445 4.268 50 40 FIGB CCCOc1cccc(/C=N/NC(=O)c2ccccc2Br)c1 20760718 DMZUBQIOYQBFQF-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c(C)c1 30843567 XJIUSACFOPBVCW-UKWGHVSLSA-N 351.233 4.139 50 40 FIGB CC(=O)OC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118926153 ASCOKLYUNOZHLB-XUCMERPOSA-N 358.478 4.224 50 40 FIGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2cccc(C)c2C)cc1 408955995 ZKSOOXPKPASJMA-HMAPJEAMSA-N 362.433 4.258 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 5947250 VKAKLKKHEVQXII-HAVVHWLPSA-N 360.461 4.087 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)c2cccc3ccccc23)c(Cl)c1 1705487 DRFOYVAYYXQSPB-LPYMAVHISA-N 351.837 4.323 50 40 FIGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 13302981 PESAIEMRZJNNFL-NVMNQCDNSA-N 352.177 4.056 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@@H]1O[C@H]2[C@H](Br)[C@@H]1Br 96171590 USULQEPPCHUSBL-RGOKHQFPSA-N 371.978 4.358 50 40 FIGB Cc1cc2c(cc1/C=N/NC(=O)Cc1ccccc1)[C@H](C)CC(C)(C)N2C 208215958 TYDILLKZLXNHOD-HIQXPHMNSA-N 363.505 4.410 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1[C@H]2CCC=CCCC=CCC[C@H]12 1559659029 ZMEYSZLLVYTWAR-ADSZXMQHSA-N 367.449 4.374 50 40 FIGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/Cc1ccccc1 4156426 CIFAQRTYWMYCEA-HMASQMOLSA-N 351.233 4.105 50 40 FIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)c1C 12859391 DQEGREVAIVABIY-ZVBGSRNCSA-N 365.260 4.448 50 40 FIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1 59506626 LGQPXJDNOHUHCJ-OEAKJJBVSA-N 359.429 4.052 50 40 FIGB CC1=C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)CC1=O 220939720 ZSLXITIMMRZQBV-AWEZNQCLSA-N 355.551 4.143 50 40 FIGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1OC 408567311 LLFCGZUXRWNPKX-HZHRSRAPSA-N 368.477 4.084 50 40 FIGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c1 408760710 DPCAJQLQJJCQFD-YBFXNURJSA-N 356.381 4.311 50 40 FIGB Cc1ccc2cc(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)c(Cl)nc2c1 5518300 UBZOBCIMZVYIEI-ZRNXJCNUSA-N 363.848 4.450 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 6048325 PVOFMJPDHYAGMF-KEBDBYFISA-N 367.232 4.165 50 40 FIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c1C 12844064 GDDATFTWSXOJTA-YDZHTSKRSA-N 352.478 4.438 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OC 15219428 HTNVIGNAXGPASO-BOPFTXTBSA-N 350.418 4.256 50 40 FIGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccncc1 58928086 JMKWNFDTVBJKEH-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1O 102979617 KOIKADRWXRDCOK-ZVBGSRNCSA-N 362.216 4.334 50 40 FIGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccnc3)cc21 208464580 YCPYVKAFABFFNY-FSJBWODESA-N 368.868 4.131 50 40 FIGB Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1 209404189 RVSQVODINIHLLR-OVCLIPMQSA-N 372.218 4.285 50 40 FIGB Cn1c(SCCCCl)nnc1-c1c(F)cccc1C(F)(F)F 228979653 NQSDHXUDBOWBTR-UHFFFAOYSA-N 353.772 4.361 50 40 FIGB COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccs2)o1 409086370 VGVAFWAQQNKRJB-VXLYETTFSA-N 360.822 4.434 50 40 FIGB COc1ccc(SCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1 33489363 HVOVFTVTAXBWEX-OCKHKDLRSA-N 369.273 4.244 50 40 FIGB O=C(NNC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1cccs1 58391091 KFPHFZFLSFKVBH-UHFFFAOYSA-N 362.882 4.065 50 40 FIGB C[C@]12CC[C@@H]3[C@H](CC[C@@]45CC(=O)C[C@@H](SS4)[C@]35C)[C@@H]1CCC(=O)O2 104379945 ROCVZARQFKQHCD-QERLDOHFSA-N 366.548 4.390 50 40 FIGB biogenic C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 211537048 TZVLENQDSSROGV-PDGQHHTCSA-N 362.429 4.423 50 40 FIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1 408740635 HSYGIGNOGYSRBY-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl 408789402 PUHCNKOZDFVMGZ-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB O=C(c1ccccc1)[C@H]1[C@@H]2[C@H]3C[C@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1 2343898 DYGLKPUISJDAQN-BFCMZJMKSA-N 353.849 4.322 50 40 FIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1 5879854 YBKBWJCSKLWKLQ-SFQUDFHCSA-N 358.397 4.403 50 40 FIGB O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1ccc(F)cc1 8812282 OGIGSRVQLAQUFG-ZMOGYAJESA-N 366.367 4.308 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)N1CCC(Oc2ccncc2)CC1 244983862 IUIFWPBKZFBZMD-QGZVFWFLSA-N 366.552 4.166 50 40 FIGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Cl)cc1OC 408854790 BITNCOLGDZYDIJ-NHDPSOOVSA-N 372.808 4.257 50 40 FIGB Cc1cccc2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]c12 18191507 BTUWXTSEPVDJBZ-VXLYETTFSA-N 356.223 4.003 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)c1C 408886217 FJOCNSPNXAPBPF-RIYZIHGNSA-N 371.234 4.317 50 40 FIGB O=C(N/N=C/c1ccccc1)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 9088910 CGLQQPAVSVZKJS-KEBDBYFISA-N 359.216 4.147 50 40 FIGB C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc(Cl)c1 3167277 NXLUZIKLRINZEN-KOUDTOEKSA-N 352.821 4.411 50 40 FIGB O=C1OC(=O)[C@@H]2[C@@H]1CC=C[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 257354091 VQSAROVLKPMLEQ-SRVKXCTJSA-N 364.241 4.084 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OCC)c1 7144069 ZIEXFWWFQPMDQG-LDADJPATSA-N 351.402 4.134 50 40 FIGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 13140648 GFDMXUQSOAQCLA-JJIBRWJFSA-N 372.472 4.150 50 40 FIGB CCCNC(=O)/C(C#N)=C1/C=C(c2ccc(OC)cc2)Oc2ccc(C)cc21 16818962 YUCWMBJPRPGTRW-ZZEZOPTASA-N 374.440 4.241 50 40 FIGB N#C/C(=C1/C=CC=CN1CC(=O)c1ccccc1)c1nc2ccccc2[nH]1 102587873 ZYLIEYJPCYGZQT-LVZFUZTISA-N 352.397 4.066 50 40 FIGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)c1ccc(C(F)(F)F)cc1 106368246 YTBSZZPVRCGLLQ-ZROIWOOFSA-N 369.346 4.210 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@H]1O[C@H]2[C@H](Br)[C@H]1Br 261491075 USULQEPPCHUSBL-ZYUZMQFOSA-N 371.978 4.358 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1 408778548 GYZXWMCOUHTRRP-STZFKDTASA-N 360.457 4.426 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1O 408795290 LKVWMBSKYUAIQS-XNTDXEJSSA-N 368.820 4.328 50 40 FIGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(N)=O 409201296 LGGXENZBQQWKEK-UNOMPAQXSA-N 351.409 4.235 50 40 FIGB O=C=Nc1ccc(OCCCCCC(=O)Oc2ccc(N=C=O)cc2)cc1 2061000202 FDJJBNPXAPITRA-UHFFFAOYSA-N 366.373 4.166 50 40 FIGB C#CCn1c(C)c(/C=N/NC(=O)c2ccc(OCCC)cc2)c2ccccc21 20197556 OGWOISQNVVDDIP-LFVJCYFKSA-N 373.456 4.136 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 20248944 LAVSVFRFYXVHED-DEDYPNTBSA-N 361.898 4.039 50 40 FIGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1c[nH]c2ccccc12 40447807 ZYUOFEPXJYEVRP-CPISYKEBSA-N 357.413 4.239 50 40 FIGB COc1ccc2c(c1)CCC/C2=N/NC(=O)Cc1cccc2ccccc12 100037860 FEWIPJKRWTTZMT-GYHWCHFESA-N 358.441 4.248 50 40 FIGB COc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1OC(C)C 207829119 GQZRSFDVFYKKPF-UEIJICEPSA-N 364.445 4.267 50 40 FIGB COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1O 408566541 HNEBKOXPVDAZRE-NSIKDUERSA-N 355.191 4.099 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC 408887218 MSQYMLYFJCEEAM-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB Cc1ccc(C(O)(C(=O)NNc2ccc(C)cc2C)c2ccc(C)cc2)cc1 825206 JBJJGVXEQIUVOI-UHFFFAOYSA-N 374.484 4.299 50 40 FIGB C/C(=N\NC(=O)CSCc1ccc2ccccc2c1)c1ccccc1O 5370106 AYQHXVCNVFBEPA-PXLXIMEGSA-N 364.470 4.319 50 40 FIGB Cc1ccccc1-n1cccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 13140650 ZKWOZGKIOYIUNJ-JJIBRWJFSA-N 372.472 4.150 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Br)c(C)c1 20195526 ODKAUTRKINLIML-RCCKNPSSSA-N 373.294 4.457 50 40 FIGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4o3)o2)c1 408846283 IFMXLCUOMWCFCD-WSDLNYQXSA-N 374.352 4.155 50 40 FIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 409107626 SFCYWSGMESHXDC-DHDCSXOGSA-N 372.266 4.433 50 40 FIGB Cc1ccc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc2c1 870393 WIPFWLFNJNJUPS-KRWDZBQOSA-N 365.820 4.011 50 40 FIGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)o1 1100010 PIRGHKLIPYPIPC-YDZHTSKRSA-N 363.804 4.164 50 40 FIGB Cc1cc(Br)c(NC(=O)[C@H](C)Cl)c(Br)c1 3316882 ZYCIIIHJICAGCG-LURJTMIESA-N 355.457 4.086 50 40 FIGB CC(C)(C)c1cc(/C=N\NC(=O)c2ccccn2)cc(C(C)(C)C)c1O 33089276 UZSURYUEPGHCOB-QRVIBDJDSA-N 353.466 4.146 50 40 FIGB C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1 408863803 RAHVKWDJJKYNEG-KOEQRZSOSA-N 371.440 4.401 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O 2970802 RBUPJRALKIQOSG-CIAFOILYSA-N 360.841 4.495 50 40 FIGB Cc1ccc(S(=O)(=O)N2C[C@](C)(CCl)Sc3ccccc32)cc1 5617758 NZQUYALRTQFEJG-KRWDZBQOSA-N 367.923 4.294 50 40 FIGB CC/C(Cc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl 83312570 DZCMSYOEVVILOM-RCCKNPSSSA-N 365.260 4.497 50 40 FIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OC)c3ccccc23)cc1 255577380 GSZHUVSJFBKBCK-AQTBWJFISA-N 372.424 4.080 50 40 FIGB Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)c1C 409383073 UHQQLHHVCIWCHF-FYJGNVAPSA-N 372.472 4.498 50 40 FIGB CCOC(=O)c1c(NC(=O)CCl)sc(C)c1-c1ccc(C)cc1 3270883 YFLCFHFGCPFWHO-UHFFFAOYSA-N 351.855 4.386 50 40 FIGB CN(C)c1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 32704109 SXYRHPIAMQKUKL-JLPGSUDCSA-N 373.456 4.096 50 40 FIGB CCOc1ccc(NC(=O)N/N=C/c2ccc(N3CCCCC3)cc2)cc1 59104776 WKQYUBSPWRBXBC-CJLVFECKSA-N 366.465 4.231 50 40 FIGB CC(C)c1ccc(NC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 59435588 ZFDDJEPKHJCMDZ-UHFFFAOYSA-N 357.498 4.457 50 40 FIGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccncc3)cc2[C@@H](C)CC1(C)C 223544149 AXVJPYWFKUTDTQ-GCMSVZMUSA-N 364.493 4.346 50 40 FIGB O=C(N/N=C/c1ccncc1)c1ccc(COc2cccc3ccccc23)o1 1083426 SVUKVPCMDNLJGC-ZVHZXABRSA-N 371.396 4.171 50 40 FIGB C[C@@H](Cl)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1 20131964 LSONRFXDUVCBDA-SCSAIBSYSA-N 354.056 4.278 50 40 FIGB COc1cc(C)c(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 106117901 XCWFNIMWECHGSG-CHHVJCJISA-N 372.428 4.021 50 40 FIGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)c1cccs1 408846614 QNYWCIBFNIPDAB-WQRHYEAKSA-N 374.263 4.065 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 409137290 WOHCUELPIKOTLH-ZFMLPXDISA-N 354.475 4.191 50 40 FIGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccc2c(c1)OCO2 409364773 PGTSBWWVJKYFTI-SXGWCWSVSA-N 359.337 4.438 50 40 FIGB CC(C)(C)c1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1 1454011 FMEGVMKFUUHUBO-SFHVURJKSA-N 363.486 4.284 50 40 FIGB BrCCN(CCBr)c1cccc2ccccc12 1557982 HNEXZNCFGYGDLS-UHFFFAOYSA-N 357.089 4.436 50 40 FIGB CCCOc1ccccc1/C=N/NC(=O)COc1cc(C(C)C)ccc1C 3166832 SRFJNAZNGHDMTQ-OEAKJJBVSA-N 368.477 4.436 50 40 FIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 3909329 OFEBXQVWSOFTFN-FOKLQQMPSA-N 350.384 4.372 50 40 FIGB CC(C)(C)c1nc2c([nH]1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 13999753 BJBFJPVESMALNL-GFCCVEGCSA-N 363.248 4.232 50 40 FIGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NN(Cc1ccccc1)c1ccccc1 32255619 XNDBGFNWXBWPCM-GOSISDBHSA-N 371.440 4.064 50 40 FIGB N#CC(=C\c1cc([N+](=O)[O-])ccc1O)/C(O)=N/c1nc2ccccc2s1 41108897 VWZKJBHYXLAUPB-YRNVUSSQSA-N 366.358 4.105 50 40 FIGB COc1cc(/C=C(/C#N)C(N)=S)cc(Cl)c1OCc1ccccc1 108041918 YDMZSLRUFPNSDX-AUWJEWJLSA-N 358.850 4.121 50 40 FIGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccccc1Cl 408790156 UJTCCGIECVYDGW-VZUCSPMQSA-N 361.184 4.268 50 40 FIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1cccc(Cl)c1 408959739 DZEXSEJFMSCYKP-BKUYFWCQSA-N 356.857 4.404 50 40 FIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c1 409365041 PSJCDFXXZMATBV-YDZHTSKRSA-N 350.393 4.395 50 40 FIGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc2ccccc12 716824 NOWRADJXNCQJBU-CIAFOILYSA-N 361.426 4.223 50 40 FIGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 1058857 FEFZOBBKEXCBQC-PCXKXAPESA-N 369.421 4.028 50 40 FIGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(N)=O)n2)cc1 2312933 BHHDOQQYPODTHO-FOWTUZBSSA-N 374.469 4.448 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 7156788 DVVCNAIAUSNNEI-CPNJWEJPSA-N 374.440 4.260 50 40 FIGB N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)c1nc2ccccc2[nH]1 9367049 WFBFHCTYZCISPW-XYOKQWHBSA-N 356.307 4.128 50 40 FIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccccc1 36224131 WNVKEQAZDPTQLO-IWIPYMOSSA-N 362.404 4.098 50 40 FIGB N#CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 59336587 OSKATZZEDWIKSQ-RAXLEYEMSA-N 372.211 4.441 50 40 FIGB CCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C2=C(O)CCCC2=N1 102623136 SAMHIOQOSZQKOK-KRWDZBQOSA-N 356.447 4.423 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(O)c1 408799140 XZMNHLCJPFHLSY-LDADJPATSA-N 363.461 4.401 50 40 FIGB N#CC(C#N)=C1C=C2C=C(N3CCN(c4ccccc4)CC3)CC[C@@H]2CC1 49537576 XRQXGCLKYPVXAF-SFHVURJKSA-N 356.473 4.166 50 40 FIGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(C(C)C)cc2)C1=O 5021827 SRMIYGLGTOHYFO-UYRXBGFRSA-N 351.450 4.115 50 40 FIGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C)o2)cc1 5010246 AMAWXXCWWSXLAH-VBKFSLOCSA-N 352.390 4.091 50 40 FIGB Cc1ccccc1OCCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1 4614929 QGQHSONHZDLMTF-JJIBRWJFSA-N 374.440 4.217 50 40 FIGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)NC1CCCC1 409196506 ZWBHPEKUBYHLBP-MOSHPQCFSA-N 371.440 4.103 50 40 FIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccc([N+](=O)[O-])cc1 1214525 BAYPGQIFDSIUJE-LFYBBSHMSA-N 373.162 4.150 50 40 FIGB BrC[C@H](Br)CSc1nc2ccccc2o1 5876720 HJAKXEMLIGSTHT-ZETCQYMHSA-N 351.063 4.078 50 40 FIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc21 208201784 NQBDKNYISZWNAA-WQEJZQBCSA-N 353.441 4.312 50 40 FIGB O=C(Cc1ccc2ccccc2n1)c1ccc(OCCCCl)cc1O 1898395 NYVXEZIECLJGPK-UHFFFAOYSA-N 355.821 4.374 50 40 FIGB COP(=S)(OC)Oc1nc(-c2cccs2)cc(SC)c1C#N 2149221 MZGDBTJYNPJYQL-UHFFFAOYSA-N 372.433 4.300 50 40 FIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cc2ccccc2[nH]1 2236899 LXIPIRHVORGQNF-VXLYETTFSA-N 366.471 4.020 50 40 FIGB COC(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F 2302203 PRSBDLWVDPLHTM-DNTJNYDQSA-N 371.195 4.401 50 40 FIGB Cc1c(/C=N/NC(=O)c2ccccn2)c2ccccc2n1Cc1ccccc1 3193695 LWAACDCLAXOHGK-MFKUBSTISA-N 368.440 4.157 50 40 FIGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Br)o1 4113306 AXTMIFFTMHFKAC-OMCISZLKSA-N 362.010 4.113 50 40 FIGB Cc1cccc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 12514052 XOXOGWHRRDLQMJ-AFUMVMLFSA-N 366.424 4.369 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(N2CCCC2)cc1 36129855 FEBPUFDVCDWDKZ-WOJGMQOQSA-N 367.456 4.295 50 40 FIGB CC(C)(C)OC(=O)[C@@H](Br)c1ccc(Br)cc1 199831927 CUYFFNLYTGDLSY-JTQLQIEISA-N 350.050 4.227 50 40 FIGB C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCc1ccc(F)cc1 409013722 NRXOVUIJWPIAHL-YDZHTSKRSA-N 370.424 4.002 50 40 FIGB Cc1ccc2ccccc2c1C(=O)[C@@H](Br)CBr 575358306 FTMHFGIDBPXULA-LBPRGKRZSA-N 356.057 4.489 50 40 FIGB CCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 1027689 PYAAWHWLIXWPJA-SRZZPIQSSA-N 365.260 4.475 50 40 FIGB O=C(N/N=C/c1cn(CCOc2ccccc2)c2ccccc12)c1ccco1 7095844 MTAZYAGALDPIDD-HZHRSRAPSA-N 373.412 4.077 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1 33697941 IFURIVQZAMAJDS-UNOMPAQXSA-N 364.445 4.096 50 40 FIGB Cc1cn2c(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)c(C)nc2s1 73116137 KGOIVUXEFWZTPL-OVCLIPMQSA-N 350.447 4.175 50 40 FIGB O=C(c1cccc(Cl)c1Cl)[C@H](Br)CBr 306241773 MULLSBMCUQUGHA-ZCFIWIBFSA-N 360.860 4.335 50 40 FIGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccncc2)cc1 711493 JGUCPWMOKWOVIG-ZVHZXABRSA-N 367.493 4.325 50 40 FIGB Cc1ccc(C(=O)NNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 3398913 SXKOLMPFNOTLQK-UHFFFAOYSA-N 364.445 4.177 50 40 FIGB COC(=O)/C(C#N)=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 6205119 GIXWOQFGHKACPZ-ZROIWOOFSA-N 354.387 4.134 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cc(Cl)ccc1Cl 59334492 WKEUGEXLEYESOF-ZSOIEALJSA-N 362.260 4.396 50 40 FIGB COc1ccc(C(=O)/C(C#N)=C\c2cc(Br)ccc2OC)cc1 82066175 QVFGOVXQZCMKDP-ZROIWOOFSA-N 372.218 4.256 50 40 FIGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(C)cc1 209605428 NUFCLUKLFVOCIZ-NDENLUEZSA-N 373.250 4.086 50 40 FIGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccc(N(C)C)cc1 1949973 JNMJPOJHITTWOT-HYARGMPZSA-N 373.884 4.024 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 2790397 DUOJOEMPZRFVMY-HZHRSRAPSA-N 360.413 4.038 50 40 FIGB C[C@]12CC[C@@H]3[C@@H](C[C@@H](Cl)[C@@]4(Cl)C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 4104645 BCXBBIBUUYCTPJ-QSVYNWOPSA-N 361.353 4.330 50 40 FIGB biogenic,in-vitro COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCCl 4267278 VANSNIKYLMAUEP-UHFFFAOYSA-N 372.808 4.261 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OC)c1 5792348 ZFHWEJMKIWIQIJ-NTEUORMPSA-N 356.809 4.211 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C 408591938 WOJXZSCQXFVKTB-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c4c(cccc24)CC3)cc1 408761976 IKTUGVQFVUWFBW-QGOAFFKASA-N 354.409 4.493 50 40 FIGB Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3ccccc3)c2)cc1 409378175 NCPPGSFHRFTFQF-MFKUBSTISA-N 373.456 4.136 50 40 FIGB BrCCN(CCBr)c1ccc2ccccc2c1 1557964 XDDPTCPYLPNRCH-UHFFFAOYSA-N 357.089 4.436 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)cc1Cl 725368 NVAOMIWBNKQHMZ-OZNZCJATSA-N 368.820 4.092 50 40 FIGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cn1 2293772 ZILHKYLWWBDFCG-YDZHTSKRSA-N 370.368 4.060 50 40 FIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408798515 JAUIMNWSAJRHAH-KAQJVSAMSA-N 373.796 4.330 50 40 FIGB Cc1cc(/C=N\NC(=O)c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1 4738961 YECVWTKAZUYBLJ-UUYOSTAYSA-N 367.836 4.217 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC)cc1 408746483 ZNIWYEXLSRDQOE-UVTDQMKNSA-N 356.809 4.293 50 40 FIGB CCOc1cc(Cl)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408852921 JSCLDOXQPUFTMO-NHDPSOOVSA-N 372.808 4.257 50 40 FIGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1c(O)ccc2ccccc12 1081790 FEMBDAKIMAGHIN-AFUMVMLFSA-N 369.424 4.261 50 40 FIGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O1 5482492 FPFOLMSXVMOOQH-SFHVURJKSA-N 365.820 4.060 50 40 FIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Cl)ccc1Cl 4311729 PLVSRLSJSRJVRR-HNNXBMFYSA-N 363.244 4.444 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OC(C)C 23723780 WGYYCQKRLHEUDU-YIXFDOPESA-N 356.466 4.084 50 40 FIGB Cc1ccc(SCC(=O)N[C@@H](N=C=S)C(Cl)(Cl)Cl)cc1 57291956 MQFOPHYKNXJYPT-LLVKDONJSA-N 369.726 4.002 50 40 FIGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1ccncc1 169586875 VIJXFVAMMJUZNT-QRVIBDJDSA-N 365.820 4.078 50 40 FIGB COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OC 409368349 ZDEZUIKXTXDPJS-CHHVJCJISA-N 369.218 4.402 50 40 FIGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 797344 AWRCFPCUTJOIKR-UHFFFAOYSA-N 360.584 4.312 50 40 FIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12 19943004 KAUBKWGOPWEYHE-SRZZPIQSSA-N 370.861 4.441 50 40 FIGB CC[C@]1(C)Cc2ccccc2C(NC(=O)NCCc2ccccc2)=C1C#N 27534133 QPRCEFTXXDBUFO-HSZRJFAPSA-N 359.473 4.436 50 40 FIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409068057 HEVLRVIMMBVSEU-CPNJWEJPSA-N 374.396 4.408 50 40 FIGB N#Cc1cccc(COc2cccc(/C=N/NC(=O)c3ccc(F)cc3)c2)c1 8812345 IMCASGVKEKRZGD-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc(C)nc3ccccc23)cc1 33351782 YMHPXUYAYHUXHX-HAHDFKILSA-N 360.461 4.153 50 40 FIGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408937282 NUCTWRFDKQEDBR-GDNBJRDFSA-N 370.330 4.263 50 40 FIGB CC(C)[C@H](Br)C(=O)Nc1ccc(Br)cc1Cl 37387857 QJGKLPKUCIRPBA-JTQLQIEISA-N 369.484 4.461 50 40 FIGB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2[C@H](Br)N(O)c1ccccc1 245240994 WDPDSCLUQNSCNY-YOKBYHGQSA-N 352.272 4.245 50 40 FIGB CC(/C=C/c1ccccc1)=N/NC(=O)[C@H]1COc2cc3ccccc3cc2O1 4646684 MLTNWSGXKDGXFQ-CXIJLKENSA-N 372.424 4.185 50 40 FIGB COc1ccc2nc(NC(=O)/C(C#N)=C\c3ccc(Cl)o3)sc2c1 7078479 KGMMKKZGJNPNSX-TWGQIWQCSA-N 359.794 4.097 50 40 FIGB O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1ccccc1 17170689 RCYKNSWIFLYXLU-UHFFFAOYSA-N 356.834 4.143 50 40 FIGB CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1Br 33406764 GAURJOQMJRDAET-KAMYIIQDSA-N 371.234 4.393 50 40 FIGB N#C/C(=C\c1ccccc1OC(F)F)S(=O)(=O)c1ccc(Cl)cc1 3560241 XPKMJUALCKKCOP-NTEUORMPSA-N 369.776 4.280 50 40 FIGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 5725347 FDTMMVAHLGQUSD-VCHYOVAHSA-N 351.631 4.257 50 40 FIGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)O)c1 33763897 PLQPCBCGFYKSBK-SDQBBNPISA-N 361.184 4.237 50 40 FIGB COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(N2CCCC2)cc1 38430837 NMBFXZUEXCDULH-JLPGSUDCSA-N 373.456 4.213 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(N(C)C)c3)c2C)c1 408752221 GTASJIPMQMIXTD-BUVRLJJBSA-N 374.488 4.232 50 40 FIGB CCOC(=O)[C@H](Br)[C@H](Br)c1cccc(Cl)c1 1602071 WNCYAUFQFCRXFD-NXEZZACHSA-N 370.468 4.103 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 4714654 KSBBIBWMYDHVMZ-NEIHUHTASA-N 370.518 4.493 50 40 FIGB CCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C2=C(O)CCCC2=N1 102623138 SAMHIOQOSZQKOK-QGZVFWFLSA-N 356.447 4.423 50 40 FIGB N#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc21 107946487 DYCOTZAKAFWCSO-UVTDQMKNSA-N 360.804 4.364 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 34782508 GVYMXGYOMPREAR-OWBHPGMISA-N 355.357 4.326 50 40 FIGB C[C@](CC(=O)Nc1ccc(SC#N)cc1Cl)(C(=O)O)c1ccccc1 13467623 LYMHKDCYGKZOAZ-GOSISDBHSA-N 374.849 4.284 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1 6563376 JSCQOUHVJOXPOJ-CIAFOILYSA-N 374.824 4.418 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)cc(OC)c1OC 5575200 DBQJQHILEQZKQO-ACLQVGRQSA-N 370.474 4.358 50 40 FIGB CN(C)c1ccc(-n2cccc2/C=N\NC(=O)c2cc3ccccc3o2)cc1 408944563 MUUUKGGZBYSSKK-HAHDFKILSA-N 372.428 4.053 50 40 FIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408926162 VQSVRNFZZMCPHL-UKTHLTGXSA-N 371.780 4.193 50 40 FIGB O=C(NNc1ccccc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408995456 AFBIFEJERFWGBQ-UHFFFAOYSA-N 368.400 4.413 50 40 FIGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(N)=O 2730216 PMZDGWKGHARHGA-NTUHNPAUSA-N 370.239 4.389 50 40 FIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)Nc2ccccc2)o1 15013501 PDNCRBALYAZOLX-CIAFOILYSA-N 363.373 4.109 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408817556 LVCYKIVWYCKOAX-WOJGMQOQSA-N 355.397 4.031 50 40 FIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)CCC)cc2)C1 671340 GWIFQFZNKYMLLT-XKAFOEQXSA-N 353.466 4.443 50 40 FIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Br)o1 2790640 SIDIDYDFLPHIGZ-OMCISZLKSA-N 362.010 4.113 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 5678052 UAIURGPPVXWGQA-NTEUORMPSA-N 356.809 4.211 50 40 FIGB C=CCn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21 7385482 SPACBODICOJMPJ-LFVJCYFKSA-N 372.472 4.191 50 40 FIGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(N(C)C)cc2s1 20133092 LIOSXIUARSZRCW-NSHDSACASA-N 370.316 4.255 50 40 FIGB Cc1ccc(-c2ccc(/C=N\NC(=O)Nc3ccccc3)o2)cc1C(=O)O 408847429 VMKDWMFTSDRKJY-MTJSOVHGSA-N 363.373 4.109 50 40 FIGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(CC)c3ccccc23)cc1 10315684 ASQGUAVKEQKVHU-HZHRSRAPSA-N 363.461 4.061 50 40 FIGB CCCOc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 32703887 BUDXRHGMTOHKNB-VUZLNAKASA-N 374.868 4.355 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCC2)cc1 107680006 AATSAOLYGIOTEY-LFVJCYFKSA-N 373.456 4.213 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 408526304 BOCGWCYMDXMSAO-AFUMVMLFSA-N 374.488 4.273 50 40 FIGB CCOc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1OCC 636898 MSKZVMHNPAVFNK-FYJGNVAPSA-N 372.490 4.035 50 40 FIGB Cc1c(/C=N/NC(=O)c2ccncc2)c2ccccc2n1Cc1ccccc1 2324139 PIXKNCLFYQKEFF-MFKUBSTISA-N 368.440 4.157 50 40 FIGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)CCc1ccccc1 5362133 UCAHINQSWXRFNZ-HZHRSRAPSA-N 371.868 4.102 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)c(O)c1 408587353 FPGWSCDESBOXMY-OEAKJJBVSA-N 362.429 4.025 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OCC 409058942 ZXCRKQBMQDGXMJ-LPYMAVHISA-N 372.852 4.376 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 409188751 GCEVVKVXBAPTNH-XMOVILSBSA-N 360.841 4.290 50 40 FIGB N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 705745 NCXUWGUBRNNHRP-SFHVURJKSA-N 365.433 4.192 50 40 FIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2ccccc2cc1O 1957300 AUOZYQLVIYRHGW-ZVHZXABRSA-N 370.408 4.471 50 40 FIGB N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1ccccc1F 35003851 KEPVEDPGSRPIRM-CLFYSBASSA-N 351.200 4.195 50 40 FIGB O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccccc1OCc1ccc(F)cc1 38332107 RIIPNLIAQKLWLV-BWHMOSGOSA-N 350.393 4.087 50 40 FIGB C=C[C@H]([C@@H](O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1 98175058 VBJGXVNTBSZUKP-YADHBBJMSA-N 354.430 4.496 50 40 FIGB COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Cl 9260175 FCFOKXYPRAVQDT-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB O=C(N/N=C1\CCCC[C@@H]1C1CCCCC1)[C@@H]1COc2ccccc2O1 5865502 RRCHERBZSXBACC-DEEFJXIPSA-N 356.466 4.069 50 40 FIGB Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1 408970152 BSAJFLWPMRMIFG-MTJSOVHGSA-N 363.373 4.236 50 40 FIGB CCOC1(C(=O)Nc2ccc(OCCBr)cc2)CCCCC1 225708903 CMVXIAHJVMWVOW-UHFFFAOYSA-N 370.287 4.138 50 40 FIGB COC(=O)c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 100013566 QNDSZNKYBYBYAE-UHFFFAOYSA-N 370.388 4.385 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c(ccc3ccccc32)o1 694352 VGKADQNARCKYHV-CIAFOILYSA-N 359.341 4.258 50 40 FIGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(C)cc(C)cc2nc1Cl 883064 KIAKABXDTPTKAM-SFHVURJKSA-N 367.836 4.176 50 40 FIGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 2774202 BDCPVSVDKZXYOV-MHWRWJLKSA-N 365.389 4.272 50 40 FIGB CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)c(SC#N)c1C 7345633 BMTPWTQEOASDSG-UHFFFAOYSA-N 360.460 4.367 50 40 FIGB Cc1cc(Cl)ccc1NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1 59435596 NTEPJTICUFVUOO-UHFFFAOYSA-N 363.889 4.295 50 40 FIGB CC(C)[C@@H](NC(=O)[C@@H]1C=CC(Cl)=C[C@H]1Cl)c1nc2ccccc2[nH]1 102763902 SEGLMRSDGFVHGE-XJKCOSOUSA-N 364.276 4.292 50 40 FIGB O=C1C(Cl)=C(Cl)/C(=C2/C(Cl)=C(Cl)C(=O)[C@@H]2Cl)[C@@H]1Cl 104354481 GHVNIBIIVZDISX-MXSSIIPASA-N 366.842 4.042 50 40 FIGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 226334038 BYCCKAAIEFCYEE-ZZXKWVIFSA-N 371.651 4.229 50 40 FIGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 989056 UBVHWPLGYCQNHU-HXUWFJFHSA-N 356.429 4.016 50 40 FIGB Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCCCC3)cc2)n1 5164293 YLXSYEUQMSFSPF-UHFFFAOYSA-N 368.506 4.436 50 40 FIGB CC[C@H](C)/C(C)=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 5784261 UKUPEFMGFCDWMM-MXVUGKIDSA-N 354.450 4.183 50 40 FIGB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CCl 12504808 NADKLCXJMMWRRK-VBQJREDUSA-N 351.874 4.482 50 40 FIGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccc2ccccc2c1 59334925 SSOSMRZXQQBYPK-STZFKDTASA-N 356.425 4.414 50 40 FIGB Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccccc4F)cc3C2)cc1 408733637 NIIDVGZCUPAZBY-MXAYSNPKSA-N 373.431 4.418 50 40 FIGB CCC[C@@H](NC(=O)NNC(=O)c1oc2ccccc2c1C)c1ccccc1 32795228 QIGXCNKDOMNPIQ-QGZVFWFLSA-N 365.433 4.227 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccncc1 1303634 QFFFGMXBVJMMNF-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1Cl 4106737 UHEGGGYAPREPID-DTQAZKPQSA-N 351.837 4.486 50 40 FIGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 4703159 PPXQCYMOKCEBCT-OEAKJJBVSA-N 365.477 4.196 50 40 FIGB Cc1cccc(Cn2cc(/C=N\NC(=O)c3ccco3)c3ccccc32)c1 408997606 SAQMZPJTUNTZLL-QRVIBDJDSA-N 357.413 4.355 50 40 FIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O 408801109 TTXKTLQYRXBIPB-IZZDOVSWSA-N 363.200 4.253 50 40 FIGB C#CCn1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21 409235799 BQYALMCTJZZILY-SQFNAUOLSA-N 353.425 4.059 50 40 FIGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(O)cc1 408819794 RWESJNZTLSNTMO-QRVIBDJDSA-N 373.412 4.310 50 40 FIGB O=C(CCl)Nc1ccccc1COC(=O)Nc1ccc(Cl)cc1 16449817 SFWDRQBPGZEYTL-UHFFFAOYSA-N 353.205 4.266 50 40 FIGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 5164183 RSWYHEYGSZYSMI-SFHVURJKSA-N 372.428 4.002 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C)cc2)sc(C)c1C 9404099 KXYGTICKIMNQOO-YBEGLDIGSA-N 368.458 4.396 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2c(O)ccc3ccccc23)[C@@H]2CCCC=C12 33858627 JAUBTEDAQPUMCS-DYESRHJHSA-N 366.424 4.139 50 40 FIGB O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)cc1 96504229 GEUNEAIAGCTZFW-UUYOSTAYSA-N 374.352 4.155 50 40 FIGB CC(C)(C)c1cc(/C=N\NC(=O)c2cccnc2)cc(C(C)(C)C)c1O 96562713 IBSKREADECHZCI-FMCGGJTJSA-N 353.466 4.146 50 40 FIGB C/C(=N/NC(=O)C1[C@@H]2CCC=CCC[C@@H]12)c1ccc(Br)cc1 136101319 XXFRCUJHYHFFDP-KNCWGIACSA-N 361.283 4.282 50 40 FIGB CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 19938718 MQLMQPAZKQROAZ-OOIVEFLKSA-N 369.468 4.167 50 40 FIGB CC(C)(C)c1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1 59413107 WTTHBWMXYQDQSQ-UHFFFAOYSA-N 363.505 4.366 50 40 FIGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cccs2)c1C 408964705 DECAMMYZXUCNDS-BKUYFWCQSA-N 351.475 4.482 50 40 FIGB CC(=O)c1c(C)[nH]c(C(=O)NN(Cc2ccccc2)c2ccccc2)c1C 36767713 ISONLQUZMAQSHQ-UHFFFAOYSA-N 361.445 4.186 50 40 FIGB Cc1ccc(NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 1439921 WKSVMSFGBKOMSB-UHFFFAOYSA-N 355.507 4.232 50 40 FIGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 59336062 ZWSCQNRGWKYSED-RAXLEYEMSA-N 372.211 4.441 50 40 FIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1cccc([N+](=O)[O-])c1 107768716 PZIYKNAPVWKCCG-VBKFSLOCSA-N 359.341 4.148 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\C(Cl)=C\c2ccccc2)cc1OC 6679107 OVXGSILVVLQMRK-QCYFSDEQSA-N 368.820 4.372 50 40 FIGB N#C/C(=C/c1cccc(Br)c1)c1nc(N)c2ccccc2n1 97046315 AKGNJWLAFYSYKA-WQLSENKSSA-N 351.207 4.039 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCC(C)CC2)o1 409274591 QBHBLERLANOWJN-DTQAZKPQSA-N 365.433 4.070 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1C 14134584 SJAQNHWDSITXQZ-YDZHTSKRSA-N 350.393 4.395 50 40 FIGB O=C(CCCCl)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 4072424 ZQXNVTHCJZKHPV-UHFFFAOYSA-N 350.658 4.469 50 40 FIGB COC(=O)N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)cc1 5742550 INYLKJMYXNHAQP-XDHOZWIPSA-N 364.854 4.201 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1 5905305 NOHCDUKBMLMGFN-WSDLNYQXSA-N 374.469 4.444 50 40 FIGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CSc1nc3ccccc3o1)C2 34877226 ZQLOYEKEXMAITR-QDQKWQSMSA-N 357.479 4.238 50 40 FIGB CC(C)[C@@H]1C[C@H](CBr)O[C@@]12O[C@H](c1ccccc1)[C@H](C)N2C 43808046 HGSSIETWJAFVCE-SRVCANOKSA-N 368.315 4.188 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)NCC1([C@@H](O)c2ccccc2)CC1 89825941 CWKYTBKGAIPYJT-AEFFLSMTSA-N 365.564 4.331 50 40 FIGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c1 107977252 HIUXWRRGYDHWOV-WSDLNYQXSA-N 365.433 4.003 50 40 FIGB Cc1nn2c(c1-c1ccc(Cl)cc1)NC(c1ccccc1)=C(C#N)[C@@H]2N 226759119 DKNYYQIXPGNSCX-LJQANCHMSA-N 361.836 4.330 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 408797570 SCXHAGCVAVXFFF-LFIBNONCSA-N 350.805 4.206 50 40 FIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 903683 SDNQODGSHXHOEE-DJKKODMXSA-N 353.274 4.377 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@H]2C)cc1 912129 SCZFABYPSLWMKI-UZUMKDMXSA-N 351.427 4.041 50 40 FIGB C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(Cl)cc1 945890 QUXHIVJOZJRLFU-FYJGNVAPSA-N 352.825 4.193 50 40 FIGB N#CC(C#N)=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1320743 RCAZSVWIBJTIQT-UHFFFAOYSA-N 354.196 4.341 50 40 FIGB CCCOc1ccccc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1 6324727 XSYWWESARDTTIP-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB CC/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 20551582 IZMBCUDWYPLKCX-DYTRJAOYSA-N 355.438 4.307 50 40 FIGB O=C1C(Cl)=C(Cl)/C(=C2/C(Cl)=C(Cl)C(=O)[C@H]2Cl)[C@@H]1Cl 104354487 GHVNIBIIVZDISX-ZELZYMQXSA-N 366.842 4.042 50 40 FIGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408723649 YWQAPRVPNHNMNR-RUCZPBRESA-N 367.405 4.131 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 408772780 RDDUFOYBHFRAML-WASCAKKMSA-N 355.507 4.164 50 40 FIGB O=C(N/N=C\c1ccc(Br)o1)c1cc2cc(Cl)ccc2o1 409021762 XRSAKRWIYXFRMU-IDUWFGFVSA-N 367.586 4.206 50 40 FIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)c1 9265575 FROUXFIVGREXCG-YDZHTSKRSA-N 361.445 4.180 50 40 FIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc1OC 704842 OQPUMEYVUKPRSD-FQEVSTJZSA-N 358.397 4.075 50 40 FIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2c(F)cccc2Cl)cc1 409148096 XDGYPZDGCRNLCL-HMASQMOLSA-N 350.846 4.418 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OC(C)C 408801536 UQGCRTONZLQSOZ-LFIBNONCSA-N 366.417 4.124 50 40 FIGB CCn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 408962024 FQHPTMGVRZDAIR-FOKLQQMPSA-N 359.351 4.444 50 40 FIGB CC/C(=N\NC(=O)c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O 57407513 QWLMLNGREXFVGJ-XSFVSMFZSA-N 355.196 4.382 50 40 FIGB Cc1cccc(C)c1N[C@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12 850566 PNFMCGQHEZMYIY-DXRSZSRVSA-N 361.445 4.113 50 40 FIGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1cccc2ccccc12 5363192 WLUACWRFXFADDG-LFVJCYFKSA-N 359.429 4.283 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1 955282 HAKPXLVTKGNSHN-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NC2CC2)c1C 4682233 PMWWINJTUVJDIQ-MHWRWJLKSA-N 353.853 4.242 50 40 FIGB C/C(=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc(C)cc1 6190011 DUYWNWPCKAQJFG-NKFKGCMQSA-N 360.461 4.011 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)cc1 6947537 LSMBISQWDHHBHR-LGMDPLHJSA-N 350.418 4.418 50 40 FIGB C[C@]12CC[C@@H](c3nc4ccccc4nc31)[C@@]2(C)CI 100745885 TVZHYSHWUAPAPP-CIISACIHSA-N 364.230 4.220 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cn(CCOc2ccccc2)c2ccccc12 3894245 QVRSRKDDGRYCFK-SAPNQHFASA-N 360.413 4.190 50 40 FIGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCC(=O)O 6735910 ABFNHPVYMQPQMM-GRSHGNNSSA-N 359.381 4.376 50 40 FIGB O=C(CSc1ncccn1)N/N=C/c1c2ccccc2cc2ccccc12 6886021 MIMRBBVVAPBMDT-ZMOGYAJESA-N 372.453 4.025 50 40 FIGB N#C/C=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 8378510 SWCQUHPJONWGOW-DUXPYHPUSA-N 359.179 4.473 50 40 FIGB CCN1C(c2cccs2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2 13129726 FJMJPYQDPVVTKP-QGOAFFKASA-N 369.519 4.325 50 40 FIGB Cc1c(/C=N\NC(=O)c2ccccc2-n2cccc2)c2ccccc2n1C 13285775 GHDMROYKTLKDJD-HAHDFKILSA-N 356.429 4.041 50 40 FIGB NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 226334031 TUHFBNBZXOFZPZ-QHHAFSJGSA-N 371.651 4.229 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408810163 TUMNLAZXVIVXTA-LDADJPATSA-N 362.429 4.423 50 40 FIGB CCc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)(C)C)cc1 1793632 AXMYMLSHPLMCHO-OEAKJJBVSA-N 352.478 4.384 50 40 FIGB CC1=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 25157018 OBLQVNZBNXZAHH-JOCHJYFZSA-N 372.472 4.150 50 40 FIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1OC(C)C 48252989 DVESBEGEUPWLHL-ATVHPVEESA-N 350.418 4.337 50 40 FIGB CCc1ccccc1NC(=O)N/N=C/c1ccc(N2CCCC2)c(C)c1 59104640 GSTLFJDZDCWXNY-PXLXIMEGSA-N 350.466 4.313 50 40 FIGB N#C/C(=C\c1cccc2c1OCCCO2)c1nc(-c2ccccn2)cs1 96310744 KRIMKZBYXCHEGQ-RVDMUPIBSA-N 361.426 4.431 50 40 FIGB C[C@]12CC[C@@](O)(C#N)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 245239654 LLOYXBYLIJXIJG-CZUPSRJTSA-N 359.510 4.027 50 40 FIGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(O)cc2)c1C 408968805 ZJBYDUYKTOUPRV-OEAKJJBVSA-N 361.445 4.126 50 40 FIGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)NCc1ccco1 23723714 DVYTVJQVHWKODX-CPNJWEJPSA-N 358.397 4.082 50 40 FIGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccccc2Cl)cc1 408952208 LKJYLRXOGAEDTJ-BKUYFWCQSA-N 368.824 4.295 50 40 FIGB N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccc(Cl)cc1)C(=O)OC2=O 408975541 MRYSOCMZMBTDJF-UHFFFAOYSA-N 374.783 4.438 50 40 FIGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccco1 4107669 FDIKMPMRYNUMRX-FSJBWODESA-N 361.376 4.186 50 40 FIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 3238810 QHANYBLNEULELK-YSURURNPSA-N 374.366 4.057 50 40 FIGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2C)cc1OC 7349325 JQZQVANPSHTBIO-CIAFOILYSA-N 360.841 4.210 50 40 FIGB C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(N)cc1 4974043 JEOHFEFNLMONGD-XYGWBWBKSA-N 370.456 4.307 50 40 FIGB COc1cccc(/C=N/NC(=O)[C@H](Cc2ccccc2C)c2ccccc2)c1 4505980 DNGNFFSJCFXIIO-QADUPLGGSA-N 372.468 4.480 50 40 FIGB O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1ccccc1O 4815566 AGEUDDJATGUPDJ-LAMRRIJQSA-N 360.373 4.277 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2Nc2ccccc2)cc1 5334044 HLJICMFLOBMHTH-XQNSMLJCSA-N 358.445 4.260 50 40 FIGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cnn(C(C)(C)C)c1 44022479 MOLVSGZGRQNRRN-AUWJEWJLSA-N 372.856 4.154 50 40 FIGB COC1(C(=O)Nc2ccc(OCCBr)cc2)CCCCCC1 225630477 ZTPCKFCEVFHFCJ-UHFFFAOYSA-N 370.287 4.138 50 40 FIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(Br)c1 408758149 GYWVTWRCKAWXPF-ZROIWOOFSA-N 369.218 4.197 50 40 FIGB COc1cccc(/C=C(/C#N)c2ccc(Cl)cc2)c1O[C@@H](C)C(=O)O 409228427 YTMAKKTVZVLXNZ-GQVHDAKQSA-N 357.793 4.265 50 40 FIGB Cc1ccc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1 20237947 KRPOTLXPFGMPCY-GOSISDBHSA-N 367.518 4.343 50 40 FIGB Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccc2ncccc2c1 33294036 CPFCFQIAIRSHKJ-QRVIBDJDSA-N 374.469 4.468 50 40 FIGB CCCOc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1 59502257 UAYYJMAUAAJTCP-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1 59515275 RMAJHMCOAPNVMF-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N)OCCO3 118913447 OOLWTOWNVAYEQM-TVWVXWENSA-N 359.510 4.027 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)o1 408727730 GFRHBWKLVRKOEL-DJKKODMXSA-N 373.752 4.174 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl 408797503 RYKAKJMOJJVSDV-LFIBNONCSA-N 350.805 4.206 50 40 FIGB Cc1[nH]c2ccccc2c1CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 18191477 GXISYKOMBCJVSV-UFFVCSGVSA-N 360.244 4.476 50 40 FIGB Cc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)c(C)n1C1CC1 25583407 ZTJSUSFVGJBUJO-RIYZIHGNSA-N 364.836 4.394 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1OC 40139949 HJJQFEWLRVAIIG-NTUHNPAUSA-N 350.349 4.114 50 40 FIGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Cl)cc1 5514551 VJYSSEXUXRBJCI-WSDLNYQXSA-N 368.820 4.031 50 40 FIGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(SC(F)F)cc1 6602505 SXKSNWDLMZPXEZ-KPKJPENVSA-N 374.368 4.276 50 40 FIGB CCC[C@H](Br)C(=O)Nc1nc2ccc(OCC)cc2s1 20132707 ROIIQJADKOUXCT-JTQLQIEISA-N 357.273 4.197 50 40 FIGB O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccnc1 33343922 ITIGQCKNYZDLNK-KSEXSDGBSA-N 359.307 4.124 50 40 FIGB N#CSc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 222373404 CBFIGKXTPYAILP-MDZDMXLPSA-N 350.852 4.326 50 40 FIGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1Cl 408856823 RHXMVEIKBYXFGY-VURMDHGXSA-N 352.133 4.040 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3cccn3-c3ccccc3)cc2c1 409186691 GODRQVZEBCICMG-HAHDFKILSA-N 373.412 4.386 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1 1215979 FAGOKDOSPNTRGV-FSJBWODESA-N 367.836 4.471 50 40 FIGB CCOC(=O)c1cccc(OP(=O)(c2ccccc2)c2ccccc2)c1 2306635 WFOAXHPMDJSDGX-UHFFFAOYSA-N 366.353 4.171 50 40 FIGB C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(OCC)cc1 20764506 BFYUSQFIOVJQRB-FYJGNVAPSA-N 358.825 4.067 50 40 FIGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1OC 5638630 DSAUYNOHRIGIJJ-HZHRSRAPSA-N 368.477 4.084 50 40 FIGB N#C/C(=C/c1c(Cl)nc2sccn12)C(=O)Nc1ccc(Cl)cc1 6415208 PXWVIRLVTVDIND-CLFYSBASSA-N 363.229 4.248 50 40 FIGB Cc1ccc(C2=CC(=O)O[C@](CBr)(c3ccccc3)O2)cc1 2559227 RHHCEDPJAOFKRT-GOSISDBHSA-N 359.219 4.157 50 40 FIGB O=S(=O)(N=[S@@](CCCl)c1ccccc1)c1ccc(Cl)cc1 4791575 QNRGJTTYQGLQOA-HXUWFJFHSA-N 362.303 4.129 50 40 FIGB C/C(CC(=O)Nc1cc(C)cc(C)c1)=N\NC(=O)Cc1ccc(Cl)cc1 5379034 WJJDNMVULKADOU-HZHRSRAPSA-N 371.868 4.020 50 40 FIGB O=C(CCSc1ccccc1)N/N=C/c1cccc(Br)c1 5604175 PXDVAWSRAYJBIW-LDADJPATSA-N 363.280 4.082 50 40 FIGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 6243346 WNTHODVJALNCKJ-VZUCSPMQSA-N 361.184 4.268 50 40 FIGB N#CCCn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(-c2ccccc2)n1 7503262 DJLIUGVMFGCJDC-GHRIWEEISA-N 364.412 4.404 50 40 FIGB CC1CCN(C(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 27025055 FDEIPEVCAWQPPE-FOWTUZBSSA-N 365.389 4.020 50 40 FIGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccccc1Cl 33714819 JSBUWBXWVRRJLP-WSDLNYQXSA-N 359.832 4.152 50 40 FIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1 59117577 GBNFZMVIMRZCGD-WZUFQYTHSA-N 361.184 4.268 50 40 FIGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccco1 409040772 UNWRBOLTUCWGDT-CIAFOILYSA-N 354.793 4.276 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OCC 409053842 QZWLRIVYKIWVTR-LPYMAVHISA-N 372.852 4.376 50 40 FIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(C(C)C)cc1 728149 IDPXKXYMBANMAI-UFFVCSGVSA-N 354.841 4.183 50 40 FIGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1 6412862 UQTLMORZZKRYDQ-ZSOIEALJSA-N 355.781 4.411 50 40 FIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408820683 YBDBDDSPKRNGKE-KAQJVSAMSA-N 372.808 4.120 50 40 FIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)o1 408846270 MIHXKANAASSASA-UVTDQMKNSA-N 355.825 4.387 50 40 FIGB Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)C)c2C)c(C#N)c1C 1244305 HMCVUOWAEUBWTI-CAOOACKPSA-N 366.490 4.076 50 40 FIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 5793677 SVMIGTNIFCEUGV-VBKFSLOCSA-N 366.417 4.038 50 40 FIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1-n1cccc1 6367629 KSSTYKWPBRQUKH-HZHRSRAPSA-N 355.397 4.100 50 40 FIGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408805887 MAQOOGZYWDGNJB-NTEUORMPSA-N 356.809 4.293 50 40 FIGB CC(=O)Nc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 2801929 VWWRTILOBKLRJY-YDZHTSKRSA-N 371.396 4.308 50 40 FIGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1ccco1 3096360 OHSLXLXFWOUPCI-VCHYOVAHSA-N 369.427 4.397 50 40 FIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 6328916 LWPOQCHDGNTTSP-CNHKJKLMSA-N 372.595 4.319 50 40 FIGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1ccccc1 20238123 ZTPBYFIZOVWALJ-KRWDZBQOSA-N 353.491 4.034 50 40 FIGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1 408772134 BKERRJBWBVVXKG-QRVIBDJDSA-N 363.383 4.316 50 40 FIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1 636726 NDVLOWDUOULWSL-WSDLNYQXSA-N 370.518 4.413 50 40 FIGB COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21 658920 LAVGRFOBLZUYPR-KRWDZBQOSA-N 374.444 4.087 50 40 FIGB Cc1ccc(C(=O)N/N=C/C(Br)=C/c2ccccc2)c(C)c1 3226063 KTDBYQHSHLJLQL-ULQIOQDBSA-N 357.251 4.455 50 40 FIGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccc(Cl)cc1 6242165 VVGLBBJDDYSXMW-VZUCSPMQSA-N 361.184 4.268 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCC 8043213 PIIXBTDVVLIONH-FYJGNVAPSA-N 360.841 4.291 50 40 FIGB COc1cccc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)c1 102813137 ILSYVTWISKIUGE-JXAWBTAJSA-N 354.456 4.309 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1Cl 409012022 ILIBIHGAMVVIII-LNOXHEFASA-N 360.841 4.290 50 40 FIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(CC)cc1 409361964 DZDMJVOMKRCTEG-LFVJCYFKSA-N 360.457 4.494 50 40 FIGB O=C(CBr)c1ccc(OC(F)(F)F)cc1C(F)(F)F 604221836 YUIZUWMWEXDUON-UHFFFAOYSA-N 351.040 4.182 50 40 FIGB Cc1ccc([C@H](NC(=O)NCc2ccccc2)C(Cl)Cl)cc1F 3205616 VDOBSECWPQTPPF-HNNXBMFYSA-N 355.240 4.478 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1sc(Nc2ccccc2)nc1Cl 2660122 FTJUNJWEKLTVCB-RQZCQDPDSA-N 352.847 4.399 50 40 FIGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1 3315848 BTNLYOLNUKFZLE-LFVJCYFKSA-N 374.440 4.281 50 40 FIGB C[C@@H](Sc1nc2ccccc2o1)C(=O)C(C#N)=C1Nc2ccccc2N1 13003401 VVFQKFITCWQGDX-LLVKDONJSA-N 362.414 4.150 50 40 FIGB COc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc2ccccc2c1 32114562 CMZRBDFLXXYGHT-UUYOSTAYSA-N 368.820 4.031 50 40 FIGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Br)o1 252509319 YKZZVZBAHYPITL-TWGQIWQCSA-N 366.598 4.442 50 40 FIGB O=C(COc1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1 2176634 WSKHTPVULYIGBX-IRRKKHIXSA-N 356.425 4.299 50 40 FIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc(C)c1 1433611 NYBVOWZVEVLZJO-ZVHZXABRSA-N 361.445 4.109 50 40 FIGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C12CC3CC(CC(C3)C1)C2 4652504 WHTJRFGKCCUPOZ-BKUYFWCQSA-N 355.438 4.225 50 40 FIGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2c1 5531399 WBABBODUVSMYOZ-ZRNXJCNUSA-N 363.848 4.450 50 40 FIGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3ccco3)cc21 208251599 FERIILXORMDRMD-UORWWSPDSA-N 359.857 4.419 50 40 FIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 409225808 LKUXGMYGMUQWCX-UUYOSTAYSA-N 356.784 4.432 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)nc1 409375203 HBDCGNCQVVKVBJ-WQRHYEAKSA-N 372.428 4.049 50 40 FIGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12 685588 CGLMGVRMCXUULK-FSJBWODESA-N 356.429 4.405 50 40 FIGB CC(C)(C)OC(=O)Nc1c(OC(F)(F)F)cccc1C(=O)CCl 199829978 GMXMJWCHDBCWRF-UHFFFAOYSA-N 353.724 4.354 50 40 FIGB CCN1c2cc(C)c(/C=N\NC(=O)c3ccco3)cc2[C@@H](C)CC1(C)C 223575023 MOVZZDNDSMFSOY-PXNCGERRSA-N 353.466 4.464 50 40 FIGB CO[C@H](C(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl)c1ccccc1 408726966 CYVKPZOFAZAXON-YPKZHZFPSA-N 367.836 4.034 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1C 1055823 YYYMOUGEOMOBEU-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(C)o4)CC(=O)N3C2)c1 2442054 QYQBEBDQFITWNP-INIZCTEOSA-N 365.458 4.116 50 40 FIGB aggregator NNC(=O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21 3893721 PIVFWLVQYZCISI-UHFFFAOYSA-N 355.441 4.355 50 40 FIGB O=C(CCCl)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 4267412 VAWHNAXDJDAABI-UHFFFAOYSA-N 360.772 4.392 50 40 FIGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1O 4502931 XHXQTWZXDUIMFH-YDZHTSKRSA-N 374.465 4.346 50 40 FIGB CC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1c(C)cccc1C 4551509 DYUKPWAUNRGSDZ-LPYMAVHISA-N 374.868 4.275 50 40 FIGB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NC(=O)CCl 12660312 HJBLTJMKWABGPD-VTBMCCKRSA-N 367.961 4.114 50 40 FIGB biogenic COc1cccc(Cn2nc(C)c(/C=C(\C#N)c3ccccn3)c2Cl)c1 16695107 BWFHAKVWFQKZAE-LFIBNONCSA-N 364.836 4.361 50 40 FIGB C[C@]12CC[C@](O)(C#N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118915100 LLOYXBYLIJXIJG-GCOKGBOCSA-N 359.510 4.027 50 40 FIGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OC 408897105 VRNBGMWIEOQWHV-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1O 409058423 XTGHADGZFMSCIF-AWQFTUOYSA-N 367.232 4.170 50 40 FIGB O=C(Cc1cccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12 811283 SCBKFTYEJUZCED-BUVRLJJBSA-N 354.409 4.391 50 40 FIGB COc1ccccc1/C=C/C=N/NC(=O)c1cc2c(s1)CC[C@H](C)C2 4954075 WHEKLELNHZOQQM-RBMJGFPPSA-N 354.475 4.311 50 40 FIGB CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@H]2c1ccc(-c2ccccc2)cc1 5690298 HOHHMANPTVSTBX-OAQYLSRUSA-N 369.468 4.377 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OC 6342289 ZRVBAOKFDWJMOZ-KPKJPENVSA-N 360.772 4.042 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 6410841 QHODIXHGQBSSNX-XMHGGMMESA-N 374.440 4.205 50 40 FIGB O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccccc12 12631929 FTFJOXUNFDNJIU-AFUMVMLFSA-N 370.387 4.200 50 40 FIGB N#C/C(=C/c1ccc(Cl)s1)C(=O)NCCc1c[nH]c2ccccc12 4512975 QEWPYMBMENTBSD-LCYFTJDESA-N 355.850 4.149 50 40 FIGB CC(C)c1ccc(C(=O)N/N=C/c2n[nH]cc2-c2ccc(F)cc2)cc1 8567064 JZQJSOBKUKAAKA-FSJBWODESA-N 350.397 4.103 50 40 FIGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(OCC)cc2s1 20132705 ROIIQJADKOUXCT-SNVBAGLBSA-N 357.273 4.197 50 40 FIGB O=C(CCCC[C@H]1CCSS1)N1CCN(Cc2ccccc2)CC1 61469248 GOOPDWKLMCFZDX-SFHVURJKSA-N 364.580 4.045 50 40 FIGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)ccc1O 409187429 QGIKOIKZCWFYAH-XKZIYDEJSA-N 364.401 4.030 50 40 FIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1cccc([N+](=O)[O-])c1C 408828952 KAQAGPULGCBOGW-KGENOOAVSA-N 353.422 4.377 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(OC)c1 408771283 GMMUVBVHPZCQDD-YBEGLDIGSA-N 366.417 4.037 50 40 FIGB N#C/C(=C(\NC(=N)C(F)(F)F)SCc1ccccc1)C(F)(F)F 2248020 ATWVFNYZCSJTPQ-KTKRTIGZSA-N 353.291 4.346 50 40 FIGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)COc1ccccc1C(C)(C)C 12362665 ZVUWKUDOTBOERA-QRVIBDJDSA-N 363.461 4.303 50 40 FIGB CCN1C(c2ccccc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2 15906431 WIXLYCZOJOCNFG-CAPFRKAQSA-N 363.490 4.264 50 40 FIGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 5370347 ZGMULTSBCHAJOH-GIJQJNRQSA-N 352.177 4.056 50 40 FIGB CCCCOc1ccccc1/C=N/NC(=O)c1cc2cccc(OC)c2o1 6652233 FRFMBVPVHSWYCQ-HYARGMPZSA-N 366.417 4.384 50 40 FIGB Cc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)cc(C)c1OC(F)F 12974309 RPXKHEMVHBKPLZ-XNTDXEJSSA-N 358.392 4.287 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC 215922104 DQEDUTUMWYNBMQ-BOPFTXTBSA-N 350.418 4.256 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1 408819073 ZTZYMBFJXDHMTF-RVDMUPIBSA-N 368.820 4.459 50 40 FIGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc(OCC)c1O 408845315 LZRXKDXEUCPVFM-MTJSOVHGSA-N 373.840 4.328 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C#N)o1 409008487 XAGQHCLOATULQT-FOWTUZBSSA-N 369.380 4.373 50 40 FIGB CCN(CC)c1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)o1 100296993 FFLYRGYXSOIFRF-DHDCSXOGSA-N 359.433 4.134 50 40 FIGB Cc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)o1 6619188 NQCVSCVBBBSZAO-MJWAUXSNSA-N 351.431 4.075 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 5728417 OURGCQBNCLSELO-FMNVXAMXSA-N 360.392 4.000 50 40 FIGB C=CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408808698 FENABIOXIZNEJC-HMAPJEAMSA-N 364.401 4.160 50 40 FIGB Cc1cc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)c(C)s1 5130379 OJBVDNFGORCWTH-OAHLLOKOSA-N 366.421 4.112 50 40 FIGB Cc1cc(C)[n+]2c(c1C#N)SC[C@@H]2[C@H](Br)c1ccccc1 1444012 DQZFJJZXVHQIGO-HZPDHXFCSA-N 360.300 4.246 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1cccc(O)c1 1468472 WNPVMLVGZJNKLI-UCQKPKSFSA-N 370.412 4.090 50 40 FIGB COC(=O)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1 2306972 OVFDUXCXKQBGGR-XDHOZWIPSA-N 364.854 4.201 50 40 FIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccco1 8101481 XBDDVUKBLNIKIJ-CIAFOILYSA-N 354.793 4.276 50 40 FIGB COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 12367911 OCTHKESIKCLIKY-JYRVWZFOSA-N 359.179 4.430 50 40 FIGB Cn1c(-c2ccccc2)c(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc21 3343310 REAWROSCJLHEGO-BUVRLJJBSA-N 369.424 4.315 50 40 FIGB Cc1nc2ccccc2n1CCNC(=O)CCCC[C@@H]1CCSS1 25401584 SQTDYAATTSXSFU-OAHLLOKOSA-N 363.552 4.175 50 40 FIGB biogenic Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3/C[C@@H]4CC=C[C@H]34)cc12 36262098 NHRLWHXYDAXSMV-HMBSCEQFSA-N 362.458 4.077 50 40 FIGB N#CC(C#N)=Cc1ccccc1OC(=O)c1ccc(Br)cc1 59399059 GTDKATSYNHHFJV-UHFFFAOYSA-N 353.175 4.099 50 40 FIGB O=[P@](c1ccccc1)(c1nc2ccccc2s1)N1CCCCCC1 100845039 KEGWWZKMOJKEDQ-HSZRJFAPSA-N 356.431 4.401 50 40 FIGB C#CCn1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc21 408566337 FWJMLIBYFPYGRZ-PCLIKHOPSA-N 371.484 4.265 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)cc1 408793808 GQUPSRPRXVSQML-XNTDXEJSSA-N 351.793 4.096 50 40 FIGB O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccco1 409251204 UBBJYSLXNGIQFL-YDZHTSKRSA-N 361.376 4.186 50 40 FIGB Cc1ccnc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)n1 409270856 BECWHLJTFNRPFJ-SDNWHVSQSA-N 362.414 4.075 50 40 FIGB CC(C)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 1743447 WXLINYYIRXHHLK-UHFFFAOYSA-N 360.325 4.493 50 40 FIGB Cc1cc(C)cc(OCCNC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1 1905654 NXAMFTKVZCHLDM-SFQUDFHCSA-N 354.837 4.059 50 40 FIGB CCCOc1ccc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12785230 OEYIWINGJCNPEH-XNTDXEJSSA-N 365.458 4.454 50 40 FIGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Br)cc1 13965543 BRYQZWFFSUNEHV-UIPUUYQRSA-N 357.251 4.093 50 40 FIGB CN(C)c1ccc(/C=N\NC(=O)c2sc3ccccc3c2Cl)cc1 33303600 HKZCJGNBYJQNQB-JAIQZWGSSA-N 357.866 4.385 50 40 FIGB C[C@@H]1CCCCN1C(=S)SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101848221 WHLBNMYWBVRRBD-CZWGUHTPSA-N 372.519 4.248 50 40 FIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 107365518 ORINSSLKBRYUNK-CIAFOILYSA-N 363.373 4.236 50 40 FIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1 408759207 ZUBOFQMLGHHWFM-XDHOZWIPSA-N 356.381 4.311 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Cl 408965489 HRZMMDKWAJKIRH-LITAXMHPSA-N 373.815 4.292 50 40 FIGB COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 408965622 WLAGMZYTRHCASG-ZVBGSRNCSA-N 356.731 4.131 50 40 FIGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C 408996749 MYJYPCKFLHDHTQ-SRZZPIQSSA-N 371.824 4.113 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCC 409068632 HKYIYYLALVTIKR-QGOAFFKASA-N 362.429 4.368 50 40 FIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)C#N)C1 503976329 RTAURWUNGUYMPA-AAWOMGAXSA-N 359.510 4.215 50 40 FIGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1 2807717 RVWALAGJKYTJGF-SRZZPIQSSA-N 368.776 4.062 50 40 FIGB C=C(C)[C@@H]1CC=C([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)CC1 20086127 QXBOYGHAOKCXKO-AUUYWEPGSA-N 373.456 4.011 50 40 FIGB CCc1ccc(OCCCOc2ccc(Cl)cc2/C=N/NC(C)=O)cc1 4592206 GQMCEGOPHUGSRX-HYARGMPZSA-N 374.868 4.220 50 40 FIGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1ccccc1 4728985 JCAFAKBNKFEXAQ-ATVHPVEESA-N 373.368 4.078 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)cc1 5907175 NRKNLSQGPWMLRK-VBKFSLOCSA-N 366.417 4.038 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 9201067 MRGHEQOWJWIAEV-CIAFOILYSA-N 363.373 4.236 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc(Cl)cc1 12462537 PXKRJHFWBUDQTJ-ODLFYWEKSA-N 358.854 4.254 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OC 15219894 GWDCZICCSCXIIP-BOPFTXTBSA-N 350.418 4.256 50 40 FIGB N#C/C(=C/c1ccsc1)c1nc(O)c2cc(Br)ccc2n1 97035269 FNAKKRBGNQQHTQ-YHYXMXQVSA-N 358.220 4.224 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2C)o1 409114032 PLUVUBNHQKWVJG-LFIBNONCSA-N 367.401 4.290 50 40 FIGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1ccc(O)cc1 409377796 JWYVYTVTRKSJHW-WJDWOHSUSA-N 355.353 4.070 50 40 FIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 408851836 AMLVQGOXVPIBOA-GXDHUFHOSA-N 354.768 4.037 50 40 FIGB COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(OC)c1C 409023543 YJLQXZQQEVRAKZ-FBHDLOMBSA-N 372.808 4.176 50 40 FIGB N#C/C(=C/c1ccccc1I)c1nc2ccccc2[nH]1 33377967 VMEJUSGPKQXNLY-XFXZXTDPSA-N 371.181 4.232 50 40 FIGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1 3031322 JEFKTGLFYVYSBH-XQNSMLJCSA-N 367.493 4.151 50 40 FIGB COC(=O)C1=C(Sc2ccc(Cl)cc2)[C@H](Br)SC1 3126602 UCZFQFMMRVDFRO-LLVKDONJSA-N 365.701 4.327 50 40 FIGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 1106652 DJSZNNMXZNOQHH-BUVRLJJBSA-N 353.425 4.454 50 40 FIGB CCCCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCCC)cc2)s1 1903481 UHAXCAVRXBLXOT-NTCAYCPXSA-N 370.478 4.215 50 40 FIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCCc1ccccc1 3019221 ZWENBWSSLUGIMJ-XDJHFCHBSA-N 356.425 4.114 50 40 FIGB biogenic COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1 6827188 WMAJUZHRQGFOAJ-SFQUDFHCSA-N 350.418 4.276 50 40 FIGB O=C(N/N=C1/Nc2cccc3cccc1c23)c1ccccc1Br 18168531 WSPFNAFYKVQRIX-UHFFFAOYSA-N 366.218 4.119 50 40 FIGB N#C/C=C1/Sc2ccccc2C(=O)N1CC(=O)c1ccc(Cl)cc1 33527572 RLKJIXWDIFRHRD-RQZCQDPDSA-N 354.818 4.136 50 40 FIGB CCCCN(C)CC(=O)/C(C#N)=C1/NC(c2ccc(Cl)cc2)=CS1 58120986 VABGZJQQCICDCT-SDXDJHTJSA-N 361.898 4.011 50 40 FIGB FC(F)(F)c1cc(CBr)ccc1I 98210427 AYNNJOHLKJZYBG-UHFFFAOYSA-N 364.930 4.205 50 40 FIGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408818953 ZCNKKXARNCGBQN-RVDMUPIBSA-N 368.820 4.459 50 40 FIGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1 4150229 RGEUKBZDLNDQPJ-GOSISDBHSA-N 372.428 4.084 50 40 FIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1 36166516 BBRFZMXWWHTFFK-SRZZPIQSSA-N 367.336 4.066 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)Nc1ccc(N2CCOCC2)cc1 72777129 YWVHWTWEHYLIGT-QGZVFWFLSA-N 366.552 4.176 50 40 FIGB biogenic C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 100923085 LMMMNOGYYITAID-ZVHZXABRSA-N 369.440 4.258 50 40 FIGB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4[C@H](Br)C(=O)CC[C@@]43C)[C@H]1CC[C@H]2O 245241118 XNFPSGMHGPKVAT-PLAZTMPWSA-N 369.343 4.333 50 40 FIGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(C)c(Br)c2)c1 409364190 NKEJFBCAINCDOX-JAIQZWGSSA-N 359.267 4.067 50 40 FIGB Cc1cc(C)c2c3c(sc2n1)[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O3 663162 RSWFNRIDJJWVFI-HNNXBMFYSA-N 369.396 4.410 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1 1095725 NJYPKFMJHWFQID-DTVDJLOLSA-N 361.445 4.189 50 40 FIGB CCc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 3167389 DEMHVQNWYYTSSP-KEBDBYFISA-N 351.233 4.085 50 40 FIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 3192187 RGODSESJORVDMX-LFVJCYFKSA-N 374.440 4.428 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1O 7156561 ZFGKZIXOCUNKNS-KPKJPENVSA-N 360.772 4.129 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1C 8182750 BFKQBDTUGKNYSP-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc1 12039584 ZWAGIPJULQOAAQ-JJIBRWJFSA-N 358.441 4.445 50 40 FIGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccccc1 108820951 SWEMSQVQQKYUBG-IWIPYMOSSA-N 374.440 4.347 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC 408805685 BRRNKRPKQDNMEV-ZJCRRFNXSA-N 370.493 4.476 50 40 FIGB Cc1c(/C=N/NC(=O)c2cccc(Cl)c2)c(Cl)nn1-c1ccccc1 408892798 JQARUKNOTPDNMC-SRZZPIQSSA-N 373.243 4.251 50 40 FIGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N1CCCC1 409368511 ZWKCDGPRPCBGIU-LDADJPATSA-N 366.848 4.448 50 40 FIGB NNC(=O)c1cc(-c2ccc(-c3cccs3)s2)nc2ccccc12 4785812 CTGOMQASUIPLOV-UHFFFAOYSA-N 351.456 4.295 50 40 FIGB C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)c1ccc(C(C)(C)C)cc1 5284684 UAQKZVYAJXZTFK-CJLVFECKSA-N 359.514 4.125 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1ccc(Br)cc1 5775758 QTNNJXBAQWPPEM-UDWIEESQSA-N 369.218 4.473 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 59473488 RXDUHWQMDXPSNK-DZUMZMOTSA-N 362.882 4.370 50 40 FIGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 408726885 VNPIGBIGCJHQJH-XIBLASPXSA-N 367.405 4.131 50 40 FIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C 408784377 BKSOWNUTARDERG-MFOYZWKCSA-N 355.869 4.488 50 40 FIGB FC(F)(F)CNc1cccc(OC[C@@H](Br)C(F)(F)F)c1 1083811090 VRWWWBFFHKPTOI-SECBINFHSA-N 366.099 4.365 50 40 FIGB O=C(CCl)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 923029 ZGUAIAWEFXEGKH-UHFFFAOYSA-N 354.258 4.299 50 40 FIGB C=C(OCC)C1=C(CCC)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 1244427 OTDMKMFINJTHBP-FQEVSTJZSA-N 370.449 4.116 50 40 FIGB O=C(N/N=C/c1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 3909360 DBQVHLGDDLCFJT-FOKLQQMPSA-N 350.384 4.372 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1OCC 7893997 PDWCCODSHYJEPE-FYJGNVAPSA-N 360.841 4.291 50 40 FIGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 59473372 NXDOIQZPEXZPMY-CIAFOILYSA-N 356.491 4.166 50 40 FIGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC 9202282 UPXDVSLWYMCMFV-LPYMAVHISA-N 372.852 4.376 50 40 FIGB C=CCc1cccc(/C=N/NC(=O)CCCc2c[nH]c3ccccc23)c1O 2807128 DSYIILOUEIUUNY-BUVRLJJBSA-N 361.445 4.075 50 40 FIGB Cc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1C1CCCCC1 12363756 JWTUZPAJVRVMGZ-BKUYFWCQSA-N 368.437 4.282 50 40 FIGB FC(F)(F)C(F)(F)C(F)(F)CCCCI 66325897 MGAFZAISKPGHKL-UHFFFAOYSA-N 352.031 4.425 50 40 FIGB COC(=O)c1cccc(NC(=O)NN(c2ccccc2)c2ccccc2)c1 12821102 HJDDKLIXGZNNCA-UHFFFAOYSA-N 361.401 4.348 50 40 FIGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1cccs1 4412436 FAZJIJWBYSJBCE-AWEZNQCLSA-N 371.462 4.107 50 40 FIGB CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1 4678048 VGEFDHPUIFETBO-SKRBABGKSA-N 374.444 4.293 50 40 FIGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2c1 408798039 UIBMMZBANUJUGJ-RVDMUPIBSA-N 374.396 4.108 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C)c(C)c1 408568423 UBHYZQHTQUFZOV-PCLIKHOPSA-N 370.452 4.161 50 40 FIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c1 408756705 WSRZPTCSUWBKON-WOJGMQOQSA-N 358.397 4.403 50 40 FIGB Cc1ccc2c(c1)[C@H]1C(SC(=O)C(C)C)=[S+]S[C@@H]1C(C)(C)N2 5337712 NKTFTDHBSRPZQG-KGLIPLIRSA-N 352.570 4.441 50 40 FIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c1 1301266 SLDJHHWHFMFSHP-FSJBWODESA-N 363.461 4.139 50 40 FIGB N#C/C(=C/c1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCCO2 35684852 AYBYEKACLKXUND-PDGQHHTCSA-N 356.381 4.157 50 40 FIGB CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 1299811 MYXXASRZSOHRIZ-CIAFOILYSA-N 367.474 4.368 50 40 FIGB O=C(O)c1ccccc1/N=C/c1ccc(N(CCCl)CCCl)cc1 1667957 MJQQQKFACWBDPW-FYJGNVAPSA-N 365.260 4.419 50 40 FIGB COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC(F)F)c(OC)c2)c1 57405844 YPXJUSFQXWJLKK-ZSOIEALJSA-N 359.328 4.095 50 40 FIGB Cn1c(SCCCCl)nnc1-c1ccc(F)c(Br)c1 228926156 DBRIQYNWVKAARU-UHFFFAOYSA-N 364.671 4.105 50 40 FIGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(F)s1 252483041 DTCQASVELHYHKU-CIAFOILYSA-N 354.406 4.083 50 40 FIGB N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1cccc(Cl)c1 408735309 QEHGSVFSCFMVNN-RMKNXTFCSA-N 351.587 4.241 50 40 FIGB COc1ccc(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)cc1OC 408837701 LQDSTABVBHRWCS-XQNSMLJCSA-N 368.477 4.106 50 40 FIGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(C)cc3)c21 985599 AJKVRYURPXAALU-SFHVURJKSA-N 372.428 4.002 50 40 FIGB CCOC(=O)c1c(C)[nH]c(-c2csc(/C(C#N)=C\c3ccc[nH]3)n2)c1C 96931091 LYOTUZFBNGCBQM-JYRVWZFOSA-N 366.446 4.324 50 40 FIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(C(F)(F)F)cc1 5338220 QLSAPXUYOTZRES-MRXNPFEDSA-N 367.330 4.472 50 40 FIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1 714302 XLTDDJOCUIZNMZ-OAQYLSRUSA-N 372.424 4.080 50 40 FIGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 989336 BTDPXAXHSYWWIW-KRWDZBQOSA-N 363.804 4.173 50 40 FIGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 3088295 IPDKPEPNGJEGSG-LFVJCYFKSA-N 373.456 4.096 50 40 FIGB CCSS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C)c2)cc1 4785673 HZSHXURIJQRRCS-UHFFFAOYSA-N 350.465 4.081 50 40 FIGB COc1ccc2cc(/C(C)=N/NC(=O)c3c[nH]c4ccccc34)ccc2c1 4964666 GFQRXFLZUUFLRF-ZVHZXABRSA-N 357.413 4.484 50 40 FIGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408798129 UQKIEUVDYVQOEC-IZZDOVSWSA-N 363.200 4.253 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(OCC)c1 409053876 RLYVMHWZYPEILM-CIAFOILYSA-N 360.841 4.210 50 40 FIGB O=C(C/C(=N/NC(=O)c1ccc(Cl)cc1)C(F)(F)F)c1ccsc1 4100559 LBBRBXPDHKCILK-MOSHPQCFSA-N 374.771 4.323 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)cc1 5093268 CGQKZKJEKVCODG-FYJGNVAPSA-N 351.475 4.157 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)N1CCO[C@H](c2ccccc2)C1 79494803 RETDYCDJYRLHEC-SJORKVTESA-N 351.537 4.301 50 40 FIGB COc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408966015 YQDMZNOZWHWXIL-ZVBGSRNCSA-N 356.731 4.131 50 40 FIGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccccc1 409382519 OETPJCOCVRPQKE-ZVHZXABRSA-N 361.445 4.189 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 17015724 UOWMQPVFIHIAIM-UFFVCSGVSA-N 373.243 4.456 50 40 FIGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccnc1 1433778 LLTZQAFJRLGETL-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 2307453 KAYIEUYYHCDPIP-SFQUDFHCSA-N 372.380 4.499 50 40 FIGB C/C(=N\NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc[nH]1 58800429 RAXHCXJJLIKLTC-LFVJCYFKSA-N 369.428 4.021 50 40 FIGB Cc1cccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(N4CCOCC4)cc3)c12 97152339 DWJAXXZHJYICMP-AQTBWJFISA-N 371.440 4.103 50 40 FIGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c(OC)c1 33623384 HMASCASOMUQRNV-HYARGMPZSA-N 354.450 4.155 50 40 FIGB CC(=O)Nc1cccc(N/C=C(\C=O)c2nc3cc(Cl)ccc3o2)c1 5260791 GLVHATGXWGVDLF-FMIVXFBMSA-N 355.781 4.092 50 40 FIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(O)C#N)C1 70686570 RTAURWUNGUYMPA-MWRXJBPCSA-N 359.510 4.215 50 40 FIGB biogenic CCOC(=O)c1ccc([C@H]2C(C#N)=C(N)OC(C)=C2c2ccccc2)cc1 1073876 LUPWQFQBMZEMSF-FQEVSTJZSA-N 360.413 4.102 50 40 FIGB O=C(NNc1nc2ccccc2nc1C(F)(F)F)c1ccc(Cl)cc1 1382018 PPNFFUJDBCRLRB-UHFFFAOYSA-N 366.730 4.059 50 40 FIGB C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccc(-c2ccccc2)cc1 5620948 MDRILGROVYLLIC-KOEQRZSOSA-N 368.440 4.244 50 40 FIGB Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1C 8685022 CDAPYQPMGBZKAR-LLVKDONJSA-N 373.547 4.121 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 20248966 RNKYGUDLAFDBMM-GXPOEHQZSA-N 356.491 4.247 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1 33406766 XQXHJAAILMFTSK-KAMYIIQDSA-N 371.234 4.393 50 40 FIGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc2ccccc2c1 253576099 VKIAPKBUVDQVGQ-RGVLZGJSSA-N 369.218 4.072 50 40 FIGB COC(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 2238000 VWQTXICICFNBFF-DNTJNYDQSA-N 371.195 4.401 50 40 FIGB O=C(COc1cccc(Cl)c1)N/N=C/c1c(Cl)cccc1Cl 3167181 SQAMSZYWIZLLFP-UFWORHAWSA-N 357.624 4.176 50 40 FIGB Cc1ccc(-c2nc(C(=O)NN)c(Sc3ccc(Cl)cc3)o2)cc1 35681714 FJUFFNVGWYWORG-UHFFFAOYSA-N 359.838 4.058 50 40 FIGB C[C@H](C(=O)NN=C(c1ccccc1)c1ccccc1)n1cnc2ccccc21 36834319 QNYXTJCNUYPCNQ-QGZVFWFLSA-N 368.440 4.166 50 40 FIGB C#CCOc1ccc(Br)cc1/C=C(/C#N)c1cccc(C#N)c1 107603645 LPYFRJRNJWYBPU-YVLHZVERSA-N 363.214 4.397 50 40 FIGB COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 658918 QUYRPRRBGUFODX-HXUWFJFHSA-N 374.440 4.299 50 40 FIGB O=C(CCSSCCC(=O)Nc1ccccc1)Nc1ccccc1 3116778 CKLGVUKJLYCCKB-UHFFFAOYSA-N 360.504 4.425 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(SC)cc2)cc1 5673029 DHYYFFXLZGKSAG-FOWTUZBSSA-N 366.442 4.131 50 40 FIGB Cc1cc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc12 7982410 KTGQZJQRKKZKIA-UHFFFAOYSA-N 372.453 4.477 50 40 FIGB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2[C@@H](Br)N(O)c1ccccc1 13403898 WDPDSCLUQNSCNY-UICACZKSSA-N 352.272 4.245 50 40 FIGB biogenic O=C(N/N=C\c1ccncc1)c1cc(-c2ccccc2)nc2ccccc12 33341234 MIKIRNAFHHRGEI-IWIPYMOSSA-N 352.397 4.061 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(F)c1 408968361 VYVKTMOEELHMKN-FOKLQQMPSA-N 367.767 4.375 50 40 FIGB COc1ccc(CNC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 3019232 FLYBAIRIWDJYCI-QGOAFFKASA-N 372.424 4.080 50 40 FIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccc(F)cc2)o1 4784635 BBRFZMXWWHTFFK-NHDPSOOVSA-N 367.336 4.066 50 40 FIGB O=C(c1ccccc1)[C@H]1[C@@H]2[C@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1 4936870 DYGLKPUISJDAQN-WJRWYARBSA-N 353.849 4.322 50 40 FIGB C[C@H]1CCC/C(=N\NC(=O)c2ccccc2OCCOc2ccccc2)C1 4965080 OEBLWDJULDABSM-JKRPTORDSA-N 366.461 4.440 50 40 FIGB CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 13468875 VUXOHVIQFHJQEE-ZBJSNUHESA-N 354.450 4.128 50 40 FIGB O=C(CCCCl)Nc1nc2c(F)cc(Br)cc2s1 20133580 WKSQOEWLAKFRQN-UHFFFAOYSA-N 351.628 4.155 50 40 FIGB Cc1ccc(COc2cccc(/C=N/NC(=O)COc3ccccc3)c2)cc1 408531097 NDGBGSXRHYKMGA-BUVRLJJBSA-N 374.440 4.103 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1 408568954 XQKAAYJPUOPNOY-XQNSMLJCSA-N 352.478 4.466 50 40 FIGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccncc1 408863461 SCGAYWHBGVWERP-YDZHTSKRSA-N 359.454 4.035 50 40 FIGB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCl 5106910 GLVURBKHOKLSGN-UHFFFAOYSA-N 372.808 4.261 50 40 FIGB O=C(COc1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 44835427 DTYJPIQVJAVALN-CIAFOILYSA-N 354.793 4.129 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1[C@@H]2CCCC[C@]21C 100228710 XZWPSJQITJDOLR-FFDKCQITSA-N 360.457 4.128 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1O 408598555 DGKNTDKDLOAAEM-WSDLNYQXSA-N 368.820 4.361 50 40 FIGB Cc1ccc(C(=O)[C@@H](Br)CBr)c2ccccc12 575358635 XFJMBVCNIYUAMI-ZDUSSCGKSA-N 356.057 4.489 50 40 FIGB C[C@@H](Nc1c([N+](=O)[O-])c(=O)oc2ccccc12)[C@H](Cl)c1ccccc1 8691363 KZHVJVXQGZPYNM-ABAIWWIYSA-N 358.781 4.482 50 40 FIGB CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 1319429 LQZDYBJTLVLHCH-CAUNFOBBSA-N 354.450 4.128 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408786669 LVYZOVLYGUSEOU-LCYFTJDESA-N 372.808 4.074 50 40 FIGB CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(C(C)(C)C)c1O 3098653 XIHHMZWWGVKZKZ-YDZHTSKRSA-N 368.477 4.457 50 40 FIGB O=C(CCCCCOc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 2061000464 VLLDXJDJEXXTJA-UHFFFAOYSA-N 374.349 4.048 50 40 FIGB O=C(c1cccc(Cl)c1Cl)[C@@H](Br)CBr 306241772 MULLSBMCUQUGHA-LURJTMIESA-N 360.860 4.335 50 40 FIGB O=C(Cc1cccs1)N/N=C/c1ccc(OCc2cccc(F)c2)cc1 17679365 HMRYRLGCXDIWMU-LPYMAVHISA-N 368.433 4.159 50 40 FIGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(F)c2)cc1Cl 409009216 CASTWOOJZNNPPX-WSDLNYQXSA-N 355.800 4.342 50 40 FIGB O=C(c1ccc(F)c2ccccc12)[C@H](Br)CBr 575357564 QXOAYKMXJLISQJ-LLVKDONJSA-N 360.020 4.320 50 40 FIGB O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 2022293 COKBNZWCZJDMSP-UHFFFAOYSA-N 359.212 4.221 50 40 FIGB N#C/C(=C/c1ccc(Br)cc1)C(=O)NCCCc1ccccc1 409234371 ZQIOCFJKANRHHM-LGMDPLHJSA-N 369.262 4.105 50 40 FIGB Cc1cc(SCC(=O)N/N=C/c2cccs2)nc2c(C)cccc12 871046 LNYSDMCRXNPSRM-VXLYETTFSA-N 355.488 4.156 50 40 FIGB Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccco2)c1C 2807715 HRCXGRGLVHTHEI-XDHOZWIPSA-N 359.429 4.219 50 40 FIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(SC(F)F)cc1 35684786 SXKSNWDLMZPXEZ-GHXNOFRVSA-N 374.368 4.276 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccnc3)cc2[C@H](C)CC1(C)C 208322071 MTALVOVDLAAFKS-HUSFYUSLSA-N 364.493 4.266 50 40 FIGB COc1cc(OC)c(/C=N/NC(=O)c2cccc3ccccc23)cc1Cl 408588799 JSMPUTTXBGWWOV-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB O=C(CSCc1ccccc1)N/N=C/c1ccccc1C(F)(F)F 408719259 AWMHCSXEWXRGNL-UFFVCSGVSA-N 352.381 4.089 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1cc(C)ccc1C 409364043 MXIMIYCDYNADCP-PCLIKHOPSA-N 370.452 4.161 50 40 FIGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2669634 RFEXSKSERJDWAQ-NTCAYCPXSA-N 354.362 4.495 50 40 FIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(Br)c1 35536067 RYFQXKASZOZJIG-AWQFTUOYSA-N 371.156 4.232 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OCC 409054822 VQYRSZZYDWFDCU-CIAFOILYSA-N 360.841 4.210 50 40 FIGB O=C(N/N=C/c1ccc(Br)s1)c1csc2c1CCCC2 2767711 QUGCUCLAAGDQKS-FRKPEAEDSA-N 369.309 4.215 50 40 FIGB N#Cc1ccc(OCC(=O)N/N=C2/CCCC[C@H]2C2CCCCC2)cc1 103458439 KCGXJQRDNAOQLL-OBOGJDLMSA-N 353.466 4.180 50 40 FIGB O=C(NN=C1CCCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58885782 TXNINPRIUAHJDA-UHFFFAOYSA-N 365.433 4.244 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)o2)c1 2262456 AVZGUVUYZRSWIT-QINSGFPZSA-N 353.422 4.070 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccc2ncccc2c1 408967475 SDETYLLTJJLNSF-MFKUBSTISA-N 368.440 4.406 50 40 FIGB O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)Nc1ccccc1 408720438 OYMQRTRWZNPMEB-PXLXIMEGSA-N 359.385 4.061 50 40 FIGB CCc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 1052924 CAZUXFFDPDXBCW-CIAFOILYSA-N 365.260 4.475 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1[C@H]2CCCC[C@@]12C 4551006 XZWPSJQITJDOLR-KQMYUEFMSA-N 360.457 4.128 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ncccn3)o2)cc1 1408105 FIYKVWRMDZMGIH-SDNWHVSQSA-N 362.414 4.075 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 13586183 WXQXALZRTPRYBH-ZVHZXABRSA-N 362.404 4.477 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCC4)c(F)c3)[nH]c2c1 409389844 ATSHYLNONJSQCH-GDNBJRDFSA-N 362.408 4.375 50 40 FIGB O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1sc2ccccc2c1Cl 2780026 JHUMCTYPDQJIMB-UONOGXRCSA-N 370.861 4.119 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(C)ccc1Br 20195524 ALIDKPLEIKRTEC-RCCKNPSSSA-N 373.294 4.457 50 40 FIGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 408994996 KJJCECIMXIXHJB-IWIPYMOSSA-N 359.473 4.404 50 40 FIGB CC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)cc1 408988953 STGBIANHSAIVGB-DEDYPNTBSA-N 370.408 4.373 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 5720124 UHLWHGWFYGMDGF-KPKJPENVSA-N 367.386 4.286 50 40 FIGB COc1ccc2c(c1)C(=NNC(=O)Nc1ccccc1)c1cc(OC)ccc1-2 1067479 FLVWTTUAWWPZGD-UHFFFAOYSA-N 373.412 4.258 50 40 FIGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cccn1-c1cccc(C(=O)O)c1 4674782 YMKQSYXDNXNXSE-GHRIWEEISA-N 371.396 4.030 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 5309445 SBAMKDDGMMGJHG-HZHRSRAPSA-N 362.429 4.488 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7386314 HSPHGPZZQYDMEJ-BXDFRRGMSA-N 365.477 4.228 50 40 FIGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1C(=O)O 13345031 ZNLGQJISMRVCNT-DHZHZOJOSA-N 361.184 4.237 50 40 FIGB COc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(N(C)C)cc1 408790869 UDFJXWMBGKTLGB-VKAVYKQESA-N 371.440 4.460 50 40 FIGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)c(C)c2nc1Cl 883059 XSTJUGGQFXQDHX-QGZVFWFLSA-N 367.836 4.176 50 40 FIGB O=C(N/N=C/c1c[nH]c2ccccc12)C(c1ccccc1)c1ccccc1 3031593 MHSALQPXSWFBGU-PCLIKHOPSA-N 353.425 4.450 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cccnc1 12566241 OQPQZJPPPZNFEX-ZVHZXABRSA-N 356.385 4.044 50 40 FIGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 33671336 NUCZAFRSJSVYKS-WJDWOHSUSA-N 367.399 4.419 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1C 408772828 IFGJWUXKDPDABS-AFUMVMLFSA-N 374.488 4.273 50 40 FIGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 5177105 YTPGOMAHZXLPMV-HZHRSRAPSA-N 373.412 4.201 50 40 FIGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1 5221819 BNXZADBSLSTQHZ-KEBDBYFISA-N 355.196 4.052 50 40 FIGB Cc1cc2c(cc1/C=N/NC(=O)Cc1ccccc1)[C@@H](C)CC(C)(C)N2C 208215995 TYDILLKZLXNHOD-SYXCRGJESA-N 363.505 4.410 50 40 FIGB CC(C)c1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)C)c1O 408857817 WRRDVDHANWHVIZ-SRZZPIQSSA-N 369.421 4.311 50 40 FIGB CN(C)c1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1 409367711 IXZNJOWDRPXYPK-PTNGSMBKSA-N 374.225 4.421 50 40 FIGB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CCl 12504807 NADKLCXJMMWRRK-ZQIUZPCESA-N 351.874 4.482 50 40 FIGB O=S(=O)(NC[C@@H](Cl)c1ccccc1)c1ccc(Cl)cc1Cl 33525310 WQWTYZSOQFHNBP-CYBMUJFWSA-N 364.681 4.252 50 40 FIGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccccc1 59248092 IUINSDJXXLVFID-DEDYPNTBSA-N 368.234 4.004 50 40 FIGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 408781913 CYGQXGHABNCQCG-JZJYNLBNSA-N 373.500 4.240 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408961690 DIRUVDXBANSIPJ-SSDVNMTOSA-N 350.340 4.257 50 40 FIGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1 409062481 VMOOJBSHWPWIEN-XXDDWHJSSA-N 363.642 4.266 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccccc1F)c1ccccc1 409251245 UGCQFIKKDNWTMS-VVZNPABPSA-N 359.404 4.401 50 40 FIGB C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccncc1 4674916 VBFOCOKALOBWJL-LFVJCYFKSA-N 356.429 4.120 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(C#N)cc3F)c2C)cc1 408968403 WHXKIHODHCMHRY-MXAYSNPKSA-N 374.419 4.177 50 40 FIGB O=C(c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O)C(Cl)Cl 2556164 OYWFXQKHSJOFJX-UHFFFAOYSA-N 374.223 4.197 50 40 FIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(O)C#N)C1 70686565 RTAURWUNGUYMPA-UROPGOJKSA-N 359.510 4.215 50 40 FIGB biogenic COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)c1OC 3230002 JJINIHXCTMNGQD-MRXNPFEDSA-N 364.426 4.137 50 40 FIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 408952769 MRMXUEATQQSJIB-VKAVYKQESA-N 357.413 4.340 50 40 FIGB CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C1\CCCC[C@@H]1C 15930909 NEPRCGZIZAZBAP-FUQTYTRLSA-N 366.303 4.322 50 40 FIGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NN=C(c1ccccc1)c1ccccc1 1558962 GYEJHYGJGBQFAD-DTQAZKPQSA-N 371.396 4.177 50 40 FIGB Cc1cc(C)[n+]2c(c1C#N)SC[C@@H]2[C@@H](Br)c1ccccc1 4358406 DQZFJJZXVHQIGO-CVEARBPZSA-N 360.300 4.246 50 40 FIGB Cc1cc(NCCBr)c2c3c(onc13)-c1ccccc1C2=O 4806101 KKXNNFZINBRXNC-UHFFFAOYSA-N 357.207 4.154 50 40 FIGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1 5464188 LVESTKBODBCUMH-GOSISDBHSA-N 356.429 4.418 50 40 FIGB CC(/C=C/c1ccccc1F)=N\NC(=O)c1ccc(Br)cc1 14923581 PDKXJRCFKBKIKF-SACOBIQUSA-N 361.214 4.407 50 40 FIGB N#C/C(=C/c1ccccc1I)c1ccc(C#N)cc1 16393547 BYWFPAMPXJSRRU-DHDCSXOGSA-N 356.166 4.227 50 40 FIGB CC(=O)Nc1ccc(/C(C)=N\NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 30951354 GAZUXANCYHFKIW-OYKKKHCWSA-N 367.493 4.092 50 40 FIGB CCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC 38373785 MEWFMWZDJBETDY-BKUYFWCQSA-N 360.841 4.291 50 40 FIGB CCOc1cc(C)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(C)C 408853102 LNCLYNQIPLBPCD-CIAFOILYSA-N 369.421 4.189 50 40 FIGB Cc1sc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c(C#N)c1C 408997435 OPVHCTPSSGKHLZ-UFFVCSGVSA-N 366.446 4.001 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1Cl 409143208 VYPRVLPCSZBHJC-GXDHUFHOSA-N 356.809 4.293 50 40 FIGB FC(F)(F)CNc1ccccc1OC[C@H](Br)C(F)(F)F 1083811768 NMYOCTXDCAFXKB-VIFPVBQESA-N 366.099 4.365 50 40 FIGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 802633 YDULYXWJKJTQSM-VZUCSPMQSA-N 355.184 4.420 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(O)cc1 4677992 JDMARTZEFTWDIF-WSDLNYQXSA-N 367.836 4.217 50 40 FIGB N#C/C(=C/Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 8844417 AGGQOCHLOAKBAZ-LCYFTJDESA-N 371.220 4.383 50 40 FIGB OC1=NC(=S)S/C1=C\c1ccc(N(CCCl)CCCl)cc1 73048491 PLSRJGXCEPRALP-XFXZXTDPSA-N 361.319 4.300 50 40 FIGB CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 95468997 LXVNMPBTJDXWAO-YPMHNXCESA-N 360.679 4.089 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)c(Cl)c1 409052766 MCDHXUOSACZDDZ-FBCYGCLPSA-N 357.624 4.425 50 40 FIGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 6453774 WTIZXTPURQLGNA-NVNXTCNLSA-N 368.776 4.333 50 40 FIGB Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2csc(C(C)C)c2)cc1 17073074 ALXCQJRPCNPBMY-UFFVCSGVSA-N 352.463 4.334 50 40 FIGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(Cl)cc1Cl 408891001 JRZPONTZWSPJKS-KPSZGOFPSA-N 371.607 4.139 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 5872707 FKQVUEZTHNOQFF-UKTHLTGXSA-N 371.780 4.193 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 13586181 ZXTRBQAOUDSHEV-ZVHZXABRSA-N 362.404 4.477 50 40 FIGB CC(/C=C/c1ccccc1)=N/NC(=O)[C@@H]1COc2cc3ccccc3cc2O1 694803 MLTNWSGXKDGXFQ-XVQKLHLVSA-N 372.424 4.185 50 40 FIGB CCOC(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 2251598 HBYOZLCOLIUHBF-SRZZPIQSSA-N 355.825 4.423 50 40 FIGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccs2)cc1 5010243 QMYOJMRXHPKHJJ-QINSGFPZSA-N 354.431 4.251 50 40 FIGB Cc1cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)[nH]n1 8026391 LRTYUEHWKDAYMZ-UFWORHAWSA-N 363.204 4.049 50 40 FIGB C[Si](C)(C)O[C@@]1(C#N)CC[C@@H]2C[C@@H]1CC[C@]2(C#N)O[Si](C)(C)C 257352393 KZHKLJLJVDSJTO-YYIAUSFCSA-N 350.611 4.424 50 40 FIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1 408808625 QLTXTQUNMYZXFK-PUMYGXPMSA-N 364.445 4.096 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1 409009797 IEXAAEDLGMULHP-LPYMAVHISA-N 367.836 4.212 50 40 FIGB CCn1c(C)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21 409362250 IQXFGMHLGLXEKO-FSJBWODESA-N 368.868 4.185 50 40 FIGB N#Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)cc1 8812326 RHFNFRBWPQYRGP-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB N#CC1=C2SCN(C3CCCC3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1 20348109 LQIWUJKUOMNWSA-MRXNPFEDSA-N 373.909 4.297 50 40 FIGB FC(F)(F)CNc1cccc(OC[C@H](Br)C(F)(F)F)c1 1083811091 VRWWWBFFHKPTOI-VIFPVBQESA-N 366.099 4.365 50 40 FIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 59445293 JFCUMLCVHYBRSI-RGVLZGJSSA-N 353.765 4.165 50 40 FIGB N#C/C(=C/c1cc2ccccc2o1)c1nc(N)nc(Nc2ccccc2)n1 96931670 TWCQPRXAGHIWJX-KAMYIIQDSA-N 354.373 4.008 50 40 FIGB CC(C)(C)c1ccc(C(=O)NNC2=CC(=O)C[C@@H](c3ccccc3)C2)cc1 408751350 FSKLYNIRFZNUEK-SFHVURJKSA-N 362.473 4.249 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c1OC 408810007 OSLAJWVCWNOYHJ-GXDHUFHOSA-N 356.809 4.211 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc12 408543217 NSQHJPDMHPARJH-WJDWOHSUSA-N 372.380 4.092 50 40 FIGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1Cl 409053176 MGBSKPSVEPAPRD-SRZZPIQSSA-N 361.228 4.078 50 40 FIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 6022983 JOGQXPACFBMIMJ-SSDVNMTOSA-N 372.852 4.059 50 40 FIGB C[C@H](Br)C(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1 1593248 QKDRRZAXYCJGMC-INIZCTEOSA-N 374.322 4.277 50 40 FIGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 4724477 FTLSPRIFTFUULT-QLCJNQITSA-N 365.433 4.146 50 40 FIGB C[C@H](Br)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5676610 MEQZXBFVRGWHRX-JTQLQIEISA-N 366.642 4.293 50 40 FIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(Br)cc1 6283461 HZWCWDOSUJKERL-FMIVXFBMSA-N 366.218 4.476 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1CC(C)C 6608088 RZHXYYASYUGOSX-FSJBWODESA-N 363.461 4.384 50 40 FIGB CC[C@@H](Br)C(=O)Nc1nc2ccc(OC(C)C)cc2s1 20132397 SHJODRMFXHQVED-SNVBAGLBSA-N 357.273 4.196 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(C#N)cc1 9201679 YHZVCNHWOQXWER-MFKUBSTISA-N 369.424 4.210 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc3ccccc23)[C@H]2CCCC=C12 652076 WDMWIVMWBDGYFT-PZJWPPBQSA-N 350.425 4.433 50 40 FIGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)c1 44835523 IETJZHIIWJJMKF-SRZZPIQSSA-N 368.776 4.062 50 40 FIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1 409378330 NZHIGYAWWAFKMN-STZFKDTASA-N 371.440 4.361 50 40 FIGB C#CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 409368961 UXVXBTBFQLJAMT-SSDVNMTOSA-N 370.239 4.345 50 40 FIGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 408742694 SDIHTOPHTUVYDH-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB COc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(OC)c2)cc1 72120195 DMXRNUAOVNSIIH-ZSOIEALJSA-N 357.793 4.156 50 40 FIGB Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1c1cccc2ccccc12 95369567 BOTKKNJLLPJQLH-NRFANRHFSA-N 373.456 4.340 50 40 FIGB O=C(N/N=C\c1ccccc1F)c1ccc2c(c1)CN(c1ccccc1)C2 408733186 FSZOTJGBRPUTAW-CFRMEGHHSA-N 359.404 4.110 50 40 FIGB C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 2306073 JQUIYYIIZLBACC-JLHYYAGUSA-N 358.191 4.345 50 40 FIGB CCOc1ccc(-c2n[nH]c3c2[C@H]([C@@H]2CC=CCC2)C(C#N)=C(N)O3)cc1 5130046 PKWDSJVWZHARNF-CXAGYDPISA-N 362.433 4.002 50 40 FIGB Nc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 8814624 NBKDFJJADREYGM-BHGWPJFGSA-N 373.334 4.312 50 40 FIGB COc1ccc2c(C)c(/C=N/NC(=O)Cc3ccc(C)cc3C)oc2c1 20195406 BVMSHMKUYXKXNW-WSDLNYQXSA-N 350.418 4.059 50 40 FIGB C/C(CCC(C)C)=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 21707380 DINSKCSDBJOORJ-FBCYGCLPSA-N 351.665 4.166 50 40 FIGB CCOc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1OCC 59474267 VGIJGCYPBVZARV-RCCKNPSSSA-N 372.490 4.117 50 40 FIGB C/C(=N\NC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)c1ccccc1 1500867 WYVYQIWGBOREQT-NCELDCMTSA-N 372.468 4.080 50 40 FIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1 1884312 ROLPZICWXAQMTP-UDWIEESQSA-N 351.233 4.303 50 40 FIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 4132412 OUJDYIWOKYCSGA-UFFVCSGVSA-N 358.825 4.130 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OC 16411209 JMHPOYBIBDGCES-NTEUORMPSA-N 356.809 4.293 50 40 FIGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(OCC)cc1 20764498 HOIDSVGYAZENGP-FYJGNVAPSA-N 360.841 4.291 50 40 FIGB Cc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1 100834628 ZSVZSABIPYRXCY-KKXDTOCCSA-N 364.283 4.092 50 40 FIGB O=C(c1ccccc1)[C@@H]1[C@@H]2[C@@H]3C[C@H](Cl)[C@H](C3)[C@H]2ON1c1ccccc1 252383303 DYGLKPUISJDAQN-NMTCSRCMSA-N 353.849 4.322 50 40 FIGB COc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br 408543507 RMSUIICDTXANMO-ZSOIEALJSA-N 358.191 4.220 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3cccc(Br)c3)[nH]c2c1 409392988 UOQYQBFVJUTMPI-GHXNOFRVSA-N 354.207 4.398 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(C#N)cc1 409146592 UGVVYEGOIBIQDC-RQZCQDPDSA-N 366.804 4.261 50 40 FIGB CCN1c2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2[C@@H](C)CC1(C)C 223527742 DCLSAKNZIALWEB-FVQJWRHTSA-N 365.477 4.268 50 40 FIGB Cc1cc(-c2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)c(C)s1 5130244 JBRJMRWQSAPTPT-ZDUSSCGKSA-N 354.460 4.035 50 40 FIGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1 847782 ZZPHMKOECAQKFA-ZVBGSRNCSA-N 365.260 4.448 50 40 FIGB CC(C)(C)c1ccc(S(=O)(=O)/C(C#N)=C(\S)Nc2ccccc2)cc1 2561663 QPRNCNZLGWXQTL-ZCXUNETKSA-N 372.515 4.492 50 40 FIGB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2[C@H](Br)N(O)c1ccccc1 3845390 WDPDSCLUQNSCNY-TZDHZFECSA-N 352.272 4.245 50 40 FIGB biogenic Cc1[nH]c2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 6455908 BTYNLTWHHMAIOY-XNTDXEJSSA-N 356.834 4.468 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccccc1 8043472 YYQOIYPOXVKGRR-HYARGMPZSA-N 364.401 4.021 50 40 FIGB O=C(CBr)c1c(C(F)(F)F)ccc(Br)c1F 258330079 CDTJMNMLCFRMTM-UHFFFAOYSA-N 363.930 4.185 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 408759094 XRJXUYVPDAKJQS-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3cccc(Cl)c3)c2c1 409008551 XSCNJKILGSXIEK-UUYOSTAYSA-N 368.820 4.274 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)c1)c1ccccc1 1450896 GTTFXVMTSLMVDM-RKPNYOAGSA-N 355.235 4.233 50 40 FIGB COc1ccc(C(=O)CSC(Nc2cccc(F)c2)=C(C#N)C#N)cc1 2315145 HCRHJXMEMPPBMX-UHFFFAOYSA-N 367.405 4.121 50 40 FIGB CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Cl)c3n2)s1 2534312 XKFWXQZITSIHRG-UHFFFAOYSA-N 359.760 4.418 50 40 FIGB COC(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 4525977 ZBODJLQUDJSKCT-DJKKODMXSA-N 353.205 4.262 50 40 FIGB Cc1ccc(C(=O)NNC(=O)N[C@H](C)c2cccc3ccccc23)c(C)c1 10213009 IGDOXRFIMSUVES-MRXNPFEDSA-N 361.445 4.162 50 40 FIGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21 14134474 WASZTXKTXBOQRL-OEAKJJBVSA-N 365.864 4.482 50 40 FIGB CCN1c2ccc(/C=N\NC(=O)c3ccccc3O)cc2[C@H](C)CC1(C)C 208302363 MKRLLJHQCGWMFH-JNCAFBRLSA-N 365.477 4.268 50 40 FIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(C)c([N+](=O)[O-])c1 408799260 GXQMZFNVNDZEOI-RIYZIHGNSA-N 355.781 4.411 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C 408813223 QEFNALBUQXXJDF-VJOCHBMWSA-N 372.468 4.454 50 40 FIGB COc1cc(C)c(/C=N/NC(=O)[C@H](C)Oc2ccccc2)cc1C(C)C 23410739 LPHZHETYXRRVML-QPNANDPSSA-N 354.450 4.045 50 40 FIGB N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12 44027400 GTOLOFWYSWLPHZ-NTUHNPAUSA-N 350.761 4.309 50 40 FIGB O=C(N/N=C\c1ccc(F)cc1)c1ccc2c(c1)CN(c1ccccc1)C2 408732933 BJGGRSPTGBKLPL-CFRMEGHHSA-N 359.404 4.110 50 40 FIGB Cc1c(/C=C(/C#N)C(N)=S)c2ccccc2n1Cc1ccccc1C#N 408545079 YJESKMUZLHXEJR-YVLHZVERSA-N 356.454 4.063 50 40 FIGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCC#N 207852065 NIKGARPNYJYONY-PTNGSMBKSA-N 351.793 4.096 50 40 FIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)Cc1cccc2ccccc12 4106768 XZJGNIWYCOGQON-KOEQRZSOSA-N 371.484 4.441 50 40 FIGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NC1CCCCC1 13617497 RKEQPQKSMMGKEN-VBKFSLOCSA-N 364.401 4.001 50 40 FIGB CC[C@H](Nc1ccccc1OC)C(=O)N/N=C(C)\C=C\c1ccccc1 15930599 MWQBPXQOPCATMW-WQHXBLCKSA-N 351.450 4.091 50 40 FIGB N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC1CCCC1 209280036 OBHCFHUEAFESSO-PDGQHHTCSA-N 364.420 4.370 50 40 FIGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 408774033 NXXOLMSVSNZUFV-SDXDJHTJSA-N 362.477 4.144 50 40 FIGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Cl)c1 1092168 DGCFWNCGQMTKPU-KOUDTOEKSA-N 351.837 4.444 50 40 FIGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(O)cc1 4155520 MNQBXUXZBLRSIL-KKBVUKDESA-N 367.232 4.007 50 40 FIGB CC[C@H](C)c1ccccc1OCCCOc1ccccc1/C=N/NC(N)=O 4576049 RLLZJUSQIGLHKH-PFRBSUFTSA-N 369.465 4.050 50 40 FIGB Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCCC3)cc2)n1 5164290 SGFPMVAWIIBQQZ-UHFFFAOYSA-N 354.479 4.046 50 40 FIGB CCOP(=O)(OCC)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 6402389 PHPBBKCVZXNXRR-HNNXBMFYSA-N 366.329 4.131 50 40 FIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl 7993676 UNFWKBLJQNZHCP-UFWORHAWSA-N 357.237 4.375 50 40 FIGB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NNc1cccc(Cl)c1 46080999 ODBQMLAVPVFOKZ-VAWYXSNFSA-N 366.852 4.299 50 40 FIGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4[C@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118914918 XNFPSGMHGPKVAT-XRBJUCBZSA-N 369.343 4.333 50 40 FIGB O=C(c1ccccc1)[C@@H]1[C@@H]2[C@H]3C[C@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1 217713843 DYGLKPUISJDAQN-BBIZDQJDSA-N 353.849 4.322 50 40 FIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1 408583587 VOZJEQDVUIKOLP-MHWRWJLKSA-N 353.805 4.433 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(OCC)c1 408745844 VXJBLEFERZVPOZ-ATVHPVEESA-N 350.418 4.338 50 40 FIGB Cc1ccccc1-n1cccc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409230378 CLIDMXJRGBNVNU-FXBPSFAMSA-N 369.468 4.442 50 40 FIGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 3196150 OQRRQRQYXMWWAT-JJIBRWJFSA-N 358.441 4.349 50 40 FIGB C/C(CC(=O)Nc1cccc(C)c1)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 4713795 IHHZBRBXWVLCGF-BUVRLJJBSA-N 367.493 4.032 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1 5336783 FBDYCMFWNVGNHA-WSDLNYQXSA-N 367.836 4.217 50 40 FIGB Cc1ccsc1/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1 8201634 NBNYSFZFMOYYMA-MDWZMJQESA-N 368.277 4.157 50 40 FIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)s1 34870743 FBZJPQHHKAWMHJ-FMQZQXMHSA-N 363.653 4.237 50 40 FIGB O=[N+]([O-])c1cccc(/C=N\c2ccc(/C=C/C3(CCl)OCCO3)cc2)c1 104169177 XZKLWCAHMGLDFR-FVDLKSAPSA-N 372.808 4.341 50 40 FIGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Cl)ccc1O 1081860 TUEREFGDSHMQHD-AEOXGOBCSA-N 367.836 4.150 50 40 FIGB CCOC(=O)[C@H](Br)[C@@H](Br)c1cccc(Cl)c1 1602073 WNCYAUFQFCRXFD-VHSXEESVSA-N 370.468 4.103 50 40 FIGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 2773629 DIHKROJGLYOMJM-IZZDOVSWSA-N 361.184 4.268 50 40 FIGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 4724476 FTLSPRIFTFUULT-VTLOZCKBSA-N 365.433 4.146 50 40 FIGB Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2C1 4923199 FSRSAKNSTJWEDN-QGZVFWFLSA-N 361.470 4.215 50 40 FIGB N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 16489006 OHGARRQZLQMVCD-JJFYIABZSA-N 374.875 4.477 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccc(Br)c1)c1ccccc1 16790732 GTTFXVMTSLMVDM-YDRQLGOLSA-N 355.235 4.233 50 40 FIGB CCOc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1O 47982007 BGDDUFHEUVTUFU-NYYWCZLTSA-N 365.252 4.383 50 40 FIGB N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409047121 MTZXDTHJLILZIE-BJMVGYQFSA-N 351.164 4.384 50 40 FIGB CSc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 6762876 PRCMBQRGVYMVMF-VCHYOVAHSA-N 371.443 4.295 50 40 FIGB COc1ccccc1NCC(=O)N/N=C(/C)c1ccc(-c2ccccc2)cc1 670181 SNSHFROTZUDTEB-UQQQWYQISA-N 373.456 4.315 50 40 FIGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1n[nH]c2c1CCCC2 5009434 NABWSHSFQYVYSQ-OYKKKHCWSA-N 368.440 4.359 50 40 FIGB C=CCc1ccccc1OCCOc1ccc(C=C(C#N)C#N)cc1OC 5007365 LCEADQGJSQGHQU-UHFFFAOYSA-N 360.413 4.312 50 40 FIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 409252858 FHBWRTJUGPCABV-CIAFOILYSA-N 373.840 4.239 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2[C@@H]1Cc1cccn1-c1ccccc1 32115612 FCBGVJJZLCHCIO-GOSISDBHSA-N 365.440 4.272 50 40 FIGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)c1c[nH]c2cc(Cl)ccc12 44027393 SOVQUXNZVNRONS-VZUCSPMQSA-N 367.748 4.225 50 40 FIGB O=C(CCCC[C@H]1CCSS1)Nc1cnn(C[C@H]2CCCCO2)c1 390827672 IVWNQFYZOPBFOE-CVEARBPZSA-N 369.556 4.105 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O 208350535 XUCPHPOKQSFLNR-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB Cc1ccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 26781945 YXUSAQJFUDCGNU-UHFFFAOYSA-N 359.473 4.369 50 40 FIGB CCOc1cccc([C@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c1OCC 1480483 VACIKQGXRVUDQZ-QGZVFWFLSA-N 367.449 4.115 50 40 FIGB N#CC(C#N)=C1C=C2C=C(N3CCN(c4ccccc4)CC3)CC[C@H]2CC1 49537574 XRQXGCLKYPVXAF-GOSISDBHSA-N 356.473 4.166 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OCC 4815556 WIKDEUHMPFINSO-CIAFOILYSA-N 360.841 4.210 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c(C)c1 20194358 QZWFEXVYNQRWHC-ZVHZXABRSA-N 357.413 4.128 50 40 FIGB CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCC[C@H]1CCSS1 524729007 BKDAQYMCECFJMV-OKZBNKHCSA-N 370.628 4.423 50 40 FIGB biogenic CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC)c2)o1 1064060 XMPADOYQGNXPEY-UKTHLTGXSA-N 373.792 4.247 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c(OC)c1 2774470 SWMWTWDHZHTGSK-NTEUORMPSA-N 356.809 4.211 50 40 FIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 7385507 YXTYERPNMIGURV-YDZHTSKRSA-N 361.367 4.070 50 40 FIGB C=C(C)[C@@H]1CC=C([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)CC1 20086131 QXBOYGHAOKCXKO-KUHUBIRLSA-N 373.456 4.011 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C/c2csc(-c3ccsc3)n2)c1 63275832 DSIBKOWLUTXKNA-NTUHNPAUSA-N 367.455 4.426 50 40 FIGB CC(C)n1cc(/C=N/NC(=O)COc2ccccc2Cl)c2ccccc21 409174186 LVTGFTQWAVOQSI-SSDVNMTOSA-N 369.852 4.405 50 40 FIGB N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 409207704 XUCVGWMKPRGVSK-LWROZRRASA-N 369.424 4.023 50 40 FIGB BrCCCOc1cccc(OCCCBr)c1 1651956 FYBFKCFZXKQYGT-UHFFFAOYSA-N 352.066 4.014 50 40 FIGB Cc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc(Cl)c(Cl)c2)cc1 4016216 VWLZCUXJTZABJV-QDBSGRMGSA-N 350.249 4.253 50 40 FIGB C/C(CC(=O)Nc1ccc(C)cc1C)=N\NC(=O)c1cccc(Cl)c1 4691276 RNPZITMLXDSSMZ-HYARGMPZSA-N 357.841 4.091 50 40 FIGB CC(C)[C@H](NC(=O)[C@H]1C=CC(Cl)=C[C@@H]1Cl)c1nc2ccccc2[nH]1 5020169 SEGLMRSDGFVHGE-XEZPLFJOSA-N 364.276 4.292 50 40 FIGB O=C(O)CC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 5685160 XRDVJZHRPZOSGG-DARPEHSRSA-N 372.424 4.353 50 40 FIGB N#C/C(=C1/SCC(=O)N1c1ccc(F)cc1)c1nc2ccccc2s1 5752749 WEADFMKNUOUEDY-AQTBWJFISA-N 367.430 4.408 50 40 FIGB CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846205 BWZAWEATBKUYPF-OAQYLSRUSA-N 363.461 4.446 50 40 FIGB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 39402865 OYXULIZWZLTXEX-WSDLNYQXSA-N 356.784 4.432 50 40 FIGB O=C(Cl)[C@@H]1CC(=O)N(Cc2ccc(-c3nc4ccccc4s3)cc2)C1 45886891 VCAJFXSQCHNEJS-CQSZACIVSA-N 370.861 4.077 50 40 FIGB FC(F)(F)c1cccc2c1[C@H]1O[C@@H]2[C@H](Br)[C@@H]1Br 96171587 XEKDFSULVJVFFF-XFWSIPNHSA-N 371.978 4.358 50 40 FIGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 408527968 GXBPUEIGMWMLGM-FOKLQQMPSA-N 369.774 4.311 50 40 FIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 408775350 POFBTZURIYIBGK-VBKFSLOCSA-N 366.392 4.335 50 40 FIGB COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1 1045524 SWHYBQCQUXPGBH-UHFFFAOYSA-N 360.504 4.187 50 40 FIGB in-vitro CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1O 7157017 GXPISLWVOIXPFW-RIYZIHGNSA-N 356.809 4.298 50 40 FIGB N#C/C(=C\c1cc(Br)ccc1F)c1nc(O)c2ccccc2n1 22748629 WDYVODJNSGDVOR-YRNVUSSQSA-N 370.181 4.301 50 40 FIGB N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1Cl 96540818 UHEGGGYAPREPID-SSZFMOIBSA-N 351.837 4.486 50 40 FIGB CC(C)(C)c1cc(/C=N\NC(=O)c2cccc(O)c2)cc(C(C)(C)C)c1O 110390395 VFLYOKZLQYDBHD-QRVIBDJDSA-N 368.477 4.457 50 40 FIGB Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c(Cl)nn1-c1ccccc1 408894563 RFCUYHIAEYHXTF-SRZZPIQSSA-N 373.243 4.251 50 40 FIGB COc1cccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)c1 408996362 DFEBUQHRIBEOSI-DEDYPNTBSA-N 352.415 4.203 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 1559659030 ZMEYSZLLVYTWAR-PCWKUTNISA-N 367.449 4.374 50 40 FIGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1c(F)cccc1F 6684481 BEUSMAWJTQHMPX-ZMOGYAJESA-N 366.367 4.161 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)c(Cl)c1 9190550 CGKBGTNONCYQDN-GIJQJNRQSA-N 351.631 4.175 50 40 FIGB O=C(N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1cccnc1 408974732 CSPRGRRZIVYPQG-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB O=C(CCCC[C@H]1CCSS1)N1CCO[C@@H](c2ccccc2)C1 79494815 RETDYCDJYRLHEC-DLBZAZTESA-N 351.537 4.301 50 40 FIGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NC1CCCCC1 1407054 CEEPTOJVUGELCF-QINSGFPZSA-N 365.389 4.211 50 40 FIGB Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 939449 SEBKKRMFNGYWOL-NTEUORMPSA-N 367.405 4.320 50 40 FIGB CC(=O)N/N=C/c1ccc(OCCCOc2ccc(C(C)(C)C)cc2)cc1 27829193 WOQGQEMBCAXFOC-XQNSMLJCSA-N 368.477 4.302 50 40 FIGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cccc(Cl)c1 33756716 AWFFYAMKENZYBX-WSDLNYQXSA-N 359.832 4.152 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OC 210668798 KSCQJFFWCVOVGU-LWLPBDFMSA-N 370.836 4.142 50 40 FIGB CC1(C)[C@@]2(c3ccc([N+](=O)[O-])cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 225805057 PHVPPHYVLNGOEG-VBNZEHGJSA-N 352.228 4.005 50 40 FIGB Cc1ccc(S(=O)(=O)n2cc(CCCCl)c3cc(C#N)ccc32)cc1 1083813827 UXPPGMSLCQECMB-UHFFFAOYSA-N 372.877 4.230 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1OC(C)C 9201145 KUKKRDGUECYAMZ-LPYMAVHISA-N 354.450 4.333 50 40 FIGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cccnc1 59437062 GPZVEOOABVLWQZ-YDZHTSKRSA-N 359.454 4.035 50 40 FIGB [C-]#[N+][C@@H](Cc1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 104899851 QZHWQFLERUELLU-MRXNPFEDSA-N 364.264 4.019 50 40 FIGB CCOc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1OC 409125918 KTDGSBAJJGSSHM-KGENOOAVSA-N 372.490 4.035 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC 20764753 DJLWNPWWHPHGDO-PXLXIMEGSA-N 370.449 4.037 50 40 FIGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCCl 1906324 JMLJCRQVYDQPJX-UHFFFAOYSA-N 355.818 4.298 50 40 FIGB CC(C)OC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(O)CCCC2=N1 102607350 YLLZEJAFAUOYFG-KRWDZBQOSA-N 372.446 4.234 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1)c1cccc(O)c1 9110277 WNPVMLVGZJNKLI-OEAKJJBVSA-N 370.412 4.090 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 942033 GBVLACPPBJYXHO-OBGWFSINSA-N 361.445 4.231 50 40 FIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Br)cc1 1501517 ZAUBZGCHSVVBKM-RGVLZGJSSA-N 369.218 4.072 50 40 FIGB CCC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 4667740 LXUBQMOICQEEDW-GOSISDBHSA-N 374.893 4.337 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)o1 408793163 DFFMPKYVAKHFCM-GHRIWEEISA-N 374.396 4.413 50 40 FIGB N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 6448918 WKPPLPNUEKVSLB-YRNVUSSQSA-N 369.178 4.298 50 40 FIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl 1052646 RDEXODQACDZCME-DNTJNYDQSA-N 356.640 4.209 50 40 FIGB CC[C@@H](Nc1ccccc1OC)C(=O)N/N=C/c1cccc2ccccc12 695808 PSMXHHBSLGHMRV-SYVPYPDPSA-N 361.445 4.189 50 40 FIGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccccc1F 4922762 GYDXHGDQKXRAOO-MRXNPFEDSA-N 365.433 4.045 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccc(OC)cc2)cc1Cl 409017838 GDJWWRZSKXMLLW-BXSODOALSA-N 374.868 4.219 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(OC)c1O 408791353 WIVIRNQNZXKLSE-WOJGMQOQSA-N 362.429 4.292 50 40 FIGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408893660 GMMVCFGCLDUZAL-IZZDOVSWSA-N 362.172 4.447 50 40 FIGB N#CC1=C(n2ncnc2-c2ccc3c(c2)OCO3)S[C@@H]2CCCCC[C@@H]12 5019045 YOFHZOCZWZAQQV-SUMWQHHRSA-N 366.446 4.062 50 40 FIGB C=C(OCC)C1=C(CCC)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 1244428 OTDMKMFINJTHBP-HXUWFJFHSA-N 370.449 4.116 50 40 FIGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1ccccc1F 20533291 VEPDTBIWXZATEH-INIZCTEOSA-N 371.481 4.173 50 40 FIGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CC[C@@H](C(C)(C)C)C2 1099683 ACZLCSFFBMWJRR-SNVBAGLBSA-N 357.903 4.253 50 40 FIGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)O)N=C3CCCC(O)=C32)cc1 1278724 SJDUYSOVDIILIS-KRWDZBQOSA-N 354.431 4.082 50 40 FIGB C[C@@H](Sc1ccccn1)C(=O)N/N=C/c1c(Cl)cccc1Cl 5130131 KJCGGQIIMJCNEE-XTTRTJGBSA-N 354.262 4.019 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(C#N)cc2)cc1 9201854 WJRRLLBKRLLOJX-MFKUBSTISA-N 369.424 4.210 50 40 FIGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccnc1 10042325 LMZHUGJQWWRNGS-RGVLZGJSSA-N 357.822 4.243 50 40 FIGB CC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(F)cc2s1 20132305 XYDFEGQXCRSHOY-LURJTMIESA-N 351.628 4.201 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OC(F)F 32752545 FBSYHWFVLKXTRD-OQLLNIDSSA-N 372.371 4.459 50 40 FIGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)c(OC)c(C)c2)cc1 216068797 GURJRYBSSRDHJG-CJLVFECKSA-N 354.450 4.255 50 40 FIGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 409353443 LAUGNELOCLHOMR-FOKLQQMPSA-N 371.799 4.301 50 40 FIGB CN(CCO)c1cc2sc(/C=C(\C#N)c3ccc(C#N)cc3)cc2s1 1857792980 RIGJCKIIBUZTCX-OVCLIPMQSA-N 365.483 4.327 50 40 FIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 831117 MDOYXDDEGYQDON-MBNTZHJCSA-N 363.280 4.080 50 40 FIGB O=C(N/N=C/[C@@H]1CC=CCC1)c1cc(-c2cccnc2)nc2ccccc12 4863565 PPQKNPPKOHKPEI-HUSFYUSLSA-N 356.429 4.369 50 40 FIGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 1213902 LAFOKRRBALJAPC-FSJBWODESA-N 367.836 4.471 50 40 FIGB CCOC(=O)[C@H](Br)[C@@H](Br)c1ccccc1Cl 1600736 GXESVHOGRBTVJS-VHSXEESVSA-N 370.468 4.103 50 40 FIGB CCCCOc1ccc(C(=O)NNC(=O)c2ccc(CCCC)cc2)cc1 2282280 HHENTDHREPABAB-UHFFFAOYSA-N 368.477 4.283 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 6428780 VVMBVGMBBMLNKN-GHRIWEEISA-N 364.401 4.109 50 40 FIGB Cc1cccc(OCC(=O)N/N=C\c2cccc(Cl)c2Cl)c1C 30843185 RBBULSJRBJDNAB-UKWGHVSLSA-N 351.233 4.139 50 40 FIGB COc1ccc2c(c1)/C(=N\NC(=O)Cc1cccc3ccccc13)CCC2 32116537 HUIVNHJAQKXMKR-GYHWCHFESA-N 358.441 4.248 50 40 FIGB C[C@@H](Br)Cc1c(O)ccc2oc(-c3ccccc3)cc(=O)c12 36633731 RDJXJFDQBPHKHW-LLVKDONJSA-N 359.219 4.492 50 40 FIGB CC1=NN(c2ccc(C(=O)Oc3cc(C)c([N+](=O)[O-])cc3C)cc2)CC1 102156013 CYYIBFUTJMOGJD-UHFFFAOYSA-N 353.378 4.017 50 40 FIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408790221 VFLAWXZDNMDQHZ-SDNWHVSQSA-N 371.234 4.393 50 40 FIGB O=S(=O)(/N=[S@](\CCCl)c1ccccc1)c1ccc(Cl)cc1 4791577 QNRGJTTYQGLQOA-FQEVSTJZSA-N 362.303 4.129 50 40 FIGB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C(\C#N)C(=O)O 7155548 AELWKLOBTIMVCI-WEVVVXLNSA-N 370.623 4.192 50 40 FIGB Cc1cc(C)nc(NNC(=O)c2ccccc2Nc2cccc(C)c2C)n1 12527457 RCBHJASLDIJXRG-UHFFFAOYSA-N 361.449 4.211 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OC(C)C)c(C)c1 20194954 ZYMNVTZSUFDTEX-WSDLNYQXSA-N 358.869 4.437 50 40 FIGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccnc1 58928077 OYKWHACKMLRLFT-FSJBWODESA-N 365.820 4.078 50 40 FIGB CCN(CCCl)c1ccc(N/N=C2/C(=O)C=Cc3ccccc32)cc1 100191803 GWANZBFSRPKQQL-BSYVCWPDSA-N 353.853 4.164 50 40 FIGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc2ccccc2c1 408738017 LTYALJBGCZJEMT-RGVLZGJSSA-N 369.218 4.072 50 40 FIGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OC)c(Cl)c1 408881512 NRENAOAOELCPCG-AWQFTUOYSA-N 367.232 4.083 50 40 FIGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 2283755 JMESUUIFNBHOCC-KZULUSFZSA-N 366.804 4.141 50 40 FIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1cccc(C(F)(F)F)c1 2801249 OIXWELLVEIZJCS-YDZHTSKRSA-N 357.335 4.260 50 40 FIGB COc1ccccc1-c1ncnn1C1=C(C#N)[C@@H]2CCCCC[C@H]2S1 5019057 QGJWMTWMGAXBIM-SUMWQHHRSA-N 352.463 4.342 50 40 FIGB COc1ccc(C(C#N)=C2C=CC(=NOC(=O)c3ccccc3)C=C2)cc1 5734751 WVCUSLPDWXMKAU-UHFFFAOYSA-N 356.381 4.311 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(C#N)cc2)c1 9201920 SCQJKQINSDDPAY-MFKUBSTISA-N 369.424 4.210 50 40 FIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl 13137567 QISHUGKMXJNVED-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB CC(C)[C@@H]1C[C@H](CBr)O[C@@]12O[C@@H](c1ccccc1)[C@@H](C)N2C 43808038 HGSSIETWJAFVCE-SOVHRIKKSA-N 368.315 4.188 50 40 FIGB O=C(CCCCCBr)c1ccc(OCCN2CCCC2)cc1 575359255 ZHCZUTXWADJZMI-UHFFFAOYSA-N 368.315 4.299 50 40 FIGB O=C(N/N=C/C1=C(Cl)c2ccccc2CC1)c1cc(Cl)ccc1O 4735212 ZUYKFFQTYXFLSB-UFFVCSGVSA-N 361.228 4.358 50 40 FIGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc(C(C)C)cc3)c2)n1 6189256 JUCHSPLEBMKQDA-ZVHZXABRSA-N 374.488 4.436 50 40 FIGB CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)c2nc3ccccc3s2)c1C 8220539 HUTNXBYUPVAQSH-UKTHLTGXSA-N 351.431 4.482 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)c1C 108952968 UZTJPGUCOJDFNC-ATVHPVEESA-N 354.413 4.327 50 40 FIGB CC1(C)[C@@]2(C)CC[C@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)C2=O 225805094 PHVPPHYVLNGOEG-RCBQFDQVSA-N 352.228 4.005 50 40 FIGB COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21 658921 LAVGRFOBLZUYPR-QGZVFWFLSA-N 374.444 4.087 50 40 FIGB O=P(C(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)(c1ccccc1)c1ccccc1 100013601 OAWWUCDYEOMRPU-GPMSIDNRSA-N 355.443 4.064 50 40 FIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 408891226 NEBUVXYOOBKYFE-NTEUORMPSA-N 371.234 4.263 50 40 FIGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccco1 408997550 NCMYZOIDIGNUOU-CIAFOILYSA-N 354.793 4.276 50 40 FIGB COc1ccc(CCCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(C)c1 408910812 LHZNOJZKZSJKQO-OEAKJJBVSA-N 363.461 4.266 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccncc1 2339952 AYEZCGGITNAPCY-FOKLQQMPSA-N 359.307 4.124 50 40 FIGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)NC[C@H]1CCCO1 2807496 YITUHTYVQNEUSY-HJDVLLJCSA-N 356.425 4.195 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N 9201670 LAXUNBAUCLMGEK-MFKUBSTISA-N 369.424 4.210 50 40 FIGB Cc1nc2ccccc2n1CCNC(=O)CCCC[C@H]1CCSS1 25401589 SQTDYAATTSXSFU-HNNXBMFYSA-N 363.552 4.175 50 40 FIGB biogenic Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)c1 408951315 IRFXNOODFMDQQE-SDXDJHTJSA-N 370.456 4.397 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)cc1C 28217581 PYBOROKVGMERRD-BUVRLJJBSA-N 359.473 4.404 50 40 FIGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 78325975 UISSABFZEQZPSU-YVLHZVERSA-N 350.418 4.175 50 40 FIGB O=C(NNc1ccc(F)cc1)c1cc(Br)cc2ccccc12 584906765 NWJRTQHYMOFOMT-UHFFFAOYSA-N 359.198 4.498 50 40 FIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CCC(=O)Nc2ccc(C)c(C)c2)C1 672644 VPIGFMXPPGUGOF-XFBWPPDYSA-N 367.493 4.427 50 40 FIGB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccccc1 3058868 LLOUATGJXUGYDD-IZXXXUSQSA-N 370.408 4.069 50 40 FIGB C/C(=N/NC(=O)Cn1ccc2ccccc21)c1ccc(Cl)cc1Cl 4676141 SMHRMHHMGWWXBB-MTJSOVHGSA-N 360.244 4.489 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1c(OC(C)C)ccc2ccccc12 409266773 YICSZTNDYJBSHY-OEAKJJBVSA-N 362.429 4.400 50 40 FIGB CN(C)c1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1 17073881 HKZCJGNBYJQNQB-UHFFFAOYSA-N 357.866 4.385 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OC 7156247 YGFIJGJPLJNAEE-MDWZMJQESA-N 374.799 4.432 50 40 FIGB CC(C)(C)c1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(F)cc2)cc1 5293405 VNJAOPXLXQAKJI-QGOAFFKASA-N 358.438 4.374 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1C(C)C 13943906 OGJHUJRAOQUCOL-UDWIEESQSA-N 374.488 4.433 50 40 FIGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccccn3)cc21 223476963 KVROBLGUZQWEFB-ZVHZXABRSA-N 362.477 4.256 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C 408813222 QEFNALBUQXXJDF-KZHXTJCYSA-N 372.468 4.454 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1cc(C(C)C)c(O)c(C(C)C)c1 408852417 FNAXVELIWMLLHL-WSDLNYQXSA-N 354.450 4.412 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccncc4)c3C)[nH]c2c1 409392336 PBGIXAURAUVZHN-BOPFTXTBSA-N 369.428 4.438 50 40 FIGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1cccc(Cl)c1 408751869 DCXQEVPDLTXKQW-OEAKJJBVSA-N 365.864 4.440 50 40 FIGB CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1 1084695 SOXSZMUXQVDUEJ-SRZZPIQSSA-N 370.840 4.385 50 40 FIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl 1435363 BQQBZNAOBJZAMJ-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB CCOP(=S)(OCC)Oc1cc(C)nc(-c2cccc(C)c2)n1 2581849 FJLZTHVNOWHCSI-UHFFFAOYSA-N 352.396 4.437 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1cccc2ccccc12 6962090 ALHJEQXUSZWNCP-CPNJWEJPSA-N 355.441 4.433 50 40 FIGB CCCC[C@@H](Br)C(=O)Nc1nc2c(F)cc(F)cc2s1 20132966 MTAJRWHBKYEWSD-MRVPVSSYSA-N 363.227 4.467 50 40 FIGB N#C/C(=C/c1c(F)cccc1Cl)C(=O)NCCc1c[nH]c2ccccc12 33381546 VJKNOWANPMZWFK-UVTDQMKNSA-N 367.811 4.226 50 40 FIGB C[C@]12[C@H]3CC(=O)C[C@]1(CC[C@@H]1[C@@H]4CCC(=O)O[C@]4(C)CC[C@H]12)SS3 104379939 ROCVZARQFKQHCD-WEYWOMDKSA-N 366.548 4.390 50 40 FIGB CSC1=C(C#N)C2(CCCCC2)C(C#N)=C(N)N1Cc1ccccc1 67257832 JWNXJSDOBPIDGR-UHFFFAOYSA-N 350.491 4.245 50 40 FIGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(F)c3)cc21 208439453 MAFRGXGVDDPBGG-YDZHTSKRSA-N 351.425 4.221 50 40 FIGB Cc1ccccc1-n1nc(C(=O)NN)cc1-c1ccc(-c2ccccc2)cc1 408727885 YPROEEMJKHZTQE-UHFFFAOYSA-N 368.440 4.118 50 40 FIGB COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 4705508 HDQVBWSRHGKSDI-OEAKJJBVSA-N 370.412 4.002 50 40 FIGB O=C(N/N=C/c1ccccc1Br)c1cc2ccccc2cc1O 5521278 RGVOIDFXTVJHIG-RGVLZGJSSA-N 369.218 4.072 50 40 FIGB O=C(CCSc1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 59473241 ALUKZCHEGUGEAC-CIAFOILYSA-N 352.381 4.338 50 40 FIGB O=C(NN=C1CCCCCCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 59515764 LHAUAIGKGMWTIL-UHFFFAOYSA-N 356.253 4.148 50 40 FIGB O=C(N/N=C\c1ccc(F)cc1)c1cc2cc(Br)ccc2o1 83315010 GLCMMGBPUPYTQR-OCKHKDLRSA-N 361.170 4.098 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Br)cc1 207855092 RSWLMFJZIHNQJJ-KAMYIIQDSA-N 371.234 4.393 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)o1 408588683 JHIGKPBKKUQTJU-SRZZPIQSSA-N 355.825 4.413 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1ccccc1Cl 408591819 VJDSAMKJZTXIEA-FSJBWODESA-N 366.852 4.094 50 40 FIGB CCOc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1 4719780 ALCDRILYESVMBT-LFVJCYFKSA-N 374.440 4.281 50 40 FIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2)cc1OC 107997489 WCLVMNWLQGNMAW-LNOXHEFASA-N 360.841 4.290 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1Cl 409017418 WLZCECTVLVICLR-LNOXHEFASA-N 360.841 4.290 50 40 FIGB C=CCc1cc(/C=N\NC(=O)Nc2ccccc2CC)cc(OCC)c1O 408843952 BGTSPURDZSASKE-HMAPJEAMSA-N 367.449 4.237 50 40 FIGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 6508673 NNSBCYBDDQIADM-WSDLNYQXSA-N 356.784 4.432 50 40 FIGB COc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Cl)cc1 409366735 XURXDCDVWJRECZ-FSJBWODESA-N 367.836 4.064 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cccc(-n2cccc2)c1 408960301 KXBCYGRTQGKDQQ-MOHJPFBDSA-N 372.472 4.232 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)C2CCCCC2)c(OCC)c1 957973 FWKJZABOXDLZFX-SFQUDFHCSA-N 371.433 4.041 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccccc2Cl)c1 1791060 SCXWDTQBFNGXKU-GXDHUFHOSA-N 355.777 4.029 50 40 FIGB C[C@@H](c1ccccc1)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)o1 2370617 QJZGRWKYTVLCFN-HADWXUJASA-N 363.373 4.104 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1cccs1 4312719 HHYRMVRRRMXLPV-KGENOOAVSA-N 366.490 4.491 50 40 FIGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 35005584 NBDDPSJOKOUSEN-WSVATBPTSA-N 372.595 4.319 50 40 FIGB Cc1nc2c(c(NC(=O)c3cccc(CCl)c3)nn2C)c(C)c1Cl 35327575 LPAYNVXTWQXRQK-UHFFFAOYSA-N 363.248 4.230 50 40 FIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 59447382 HIPYFDDIQGRBQX-CNHKJKLMSA-N 372.595 4.319 50 40 FIGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccc(C(=O)O)cc1 107605549 DVMJTQYCUMQTFP-BOPFTXTBSA-N 359.337 4.407 50 40 FIGB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CSC#N 216858300 RMKONRAOBOFKCC-UHFFFAOYSA-N 355.444 4.125 50 40 FIGB CC1(C)Cc2cc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)ccc2O1 408710713 HARJMKDKDZVGEJ-KSEXSDGBSA-N 362.351 4.183 50 40 FIGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccco1 409369613 ROCPMFNBSRHNDZ-CIAFOILYSA-N 354.793 4.276 50 40 FIGB CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl 2331284 JVUVDXABUQSIHH-SFHVURJKSA-N 350.805 4.148 50 40 FIGB C[C@]12CC[C@](O)(C#N)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118915102 LLOYXBYLIJXIJG-URNIPBEBSA-N 359.510 4.027 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(OCC)c1O 408818520 XCIWUJKVACVQKR-YTMOXHBLSA-N 368.477 4.121 50 40 FIGB Cc1cc(C)c2c3c(sc2n1)[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O3 663165 RSWFNRIDJJWVFI-OAHLLOKOSA-N 369.396 4.410 50 40 FIGB Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c(C#N)c1C 1244306 HMCVUOWAEUBWTI-IUXPMGMMSA-N 366.490 4.076 50 40 FIGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCCl 1906320 BJFYIRHKNCDTIC-UHFFFAOYSA-N 367.854 4.168 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCCC(C)C 3445381 CWRHIEQTUCHAGI-LPYMAVHISA-N 358.413 4.023 50 40 FIGB Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)cn1 4724727 WQKGTOKCXXGYAO-SFPXKAPDSA-N 359.389 4.275 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OCC)cc1 8082117 FARJTXGSYASNHJ-LFVJCYFKSA-N 372.424 4.014 50 40 FIGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4[C@@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 16917903 XNFPSGMHGPKVAT-OUOKCMCXSA-N 369.343 4.333 50 40 FIGB Cc1cc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[nH]n1 33319596 NRHQJWMZAGIMKR-UWVJOHFNSA-N 363.204 4.049 50 40 FIGB C[C@@]12CC[C@@H](CC1=O)[C@@]2(C)CP(=O)(c1ccccc1)c1ccccc1 95676825 WGNZYPKNUMNPEW-MTNREXPMSA-N 352.414 4.396 50 40 FIGB O=C(CSCc1coc(-c2ccccc2)n1)Oc1ccc([N+](=O)[O-])cc1 102787853 HMIJVQGJVVMISC-UHFFFAOYSA-N 370.386 4.089 50 40 FIGB O=C(N/N=C(\CC(=O)c1cccs1)C(F)(F)F)c1cccc(Cl)c1 103764733 HYROZWFFHFLHJJ-DEDYPNTBSA-N 374.771 4.323 50 40 FIGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408799906 JGBUXOXTDKCXJW-SFQUDFHCSA-N 350.418 4.338 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCC#N 408817004 VDSJNRYDOQOCAX-LGMDPLHJSA-N 361.376 4.002 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Cl 408965491 HRZMMDKWAJKIRH-MIDUAYCOSA-N 373.815 4.292 50 40 FIGB O=C(CCC(F)(F)C(F)(F)F)OC(=O)CCC(F)(F)C(F)(F)F 885164191 OOMVPLKNZOVJQT-UHFFFAOYSA-N 366.151 4.012 50 40 FIGB Cc1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)c1 4185834 BKXQNFXEAWFQFH-VHSSKADRSA-N 364.283 4.092 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)c(C)c1 6843930 NVLUEVUCVYFVFC-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB COC(=O)c1c(-n2c(C)cc(C=C(C#N)C#N)c2C)sc2c1CCCC2 408782936 ZLIRBVSZFFXTRD-UHFFFAOYSA-N 365.458 4.252 50 40 FIGB N#C/C(=C/c1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1F 408819353 QGLSSEXDESJJDQ-YHYXMXQVSA-N 351.164 4.384 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc(Cl)cc1 8462026 CIMPYDQHYRUCJQ-NHDPSOOVSA-N 356.788 4.023 50 40 FIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 409361238 BKUVBCFHOTZJOC-OEAKJJBVSA-N 350.393 4.341 50 40 FIGB Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1 409378528 PQMWQWHYXFNCPO-JXAWBTAJSA-N 361.445 4.237 50 40 FIGB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2NC(=O)CCl 253499455 HJBLTJMKWABGPD-DUZKCHJRSA-N 367.961 4.114 50 40 FIGB biogenic CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2)cc1 1425076 ZNVMSXZZVJAFIC-CAUNFOBBSA-N 354.450 4.128 50 40 FIGB Cn1cc(C(=O)NN=C2c3ccccc3-c3ccccc32)c2ccccc21 1253355 ALMQRPQPYCBPMV-UHFFFAOYSA-N 351.409 4.341 50 40 FIGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1 3033822 LFLXMEPZTRMPDH-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB N#C/C(C(=O)CSc1nc2ccccc2o1)=C1/Nc2ccccc2S1 5648912 ZRRMHRGFJMRDDM-GZTJUZNOSA-N 365.439 4.442 50 40 FIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21 6079592 HQZFKEPYNUSOJR-AFUMVMLFSA-N 368.440 4.157 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 9201074 LRAYRSVLXDOTLY-CIAFOILYSA-N 363.373 4.236 50 40 FIGB O=C(N/N=C/C(Cl)=C\c1ccccc1)c1ccc(Br)cc1 33496532 PRKXVRAKPNCHSS-BIWDTAPOSA-N 363.642 4.445 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(N)=S)cc(OC)c1OCc1ccccc1 408541966 GHUYMCNJJWSXMU-WQRHYEAKSA-N 364.470 4.196 50 40 FIGB CCCN(CCC)c1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1 2903012 KIFMYLNECBQJKG-LFVJCYFKSA-N 366.509 4.184 50 40 FIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1O 1953442 INTXPLVFGPOGKD-RGVLZGJSSA-N 367.232 4.008 50 40 FIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408925201 QLZJNRJZBFSURL-UKTHLTGXSA-N 371.780 4.193 50 40 FIGB Cc1ccc(N2Cc3ccc(C(=O)N/N=C/c4cccs4)cc3C2)cc1 408733618 MIRVLIDYXASIJH-WSDLNYQXSA-N 361.470 4.341 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C 408813220 QEFNALBUQXXJDF-JCZNGMBUSA-N 372.468 4.454 50 40 FIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 408843319 SUXHBXKRXDXAQY-AWQFTUOYSA-N 371.156 4.232 50 40 FIGB O=C(N/N=C\c1ccc(O)cc1)c1cc(-c2ccccc2)nc2ccccc12 32519842 BAJHGRAPNVSCOS-IWIPYMOSSA-N 367.408 4.371 50 40 FIGB CCCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1 3167026 LPITXOQVJJAVSU-HADWXUJASA-N 360.841 4.046 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1 6428489 LQSFITCAJHZHMV-XNTDXEJSSA-N 354.793 4.062 50 40 FIGB O=C(CCCC[C@H]1CCSS1)N1CCC(Oc2ccncc2)CC1 244983861 IUIFWPBKZFBZMD-KRWDZBQOSA-N 366.552 4.166 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc2ccccc12 1023056 RHTLMLVJFUKBFX-IBGZPJMESA-N 364.408 4.448 50 40 FIGB CC(C)(C)c1ccc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1 1047216 UVSWVINAPPFVIV-UHFFFAOYSA-N 361.898 4.269 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H](CC1CCCCC1)n1cccc1 1393032 ZTILCTJOWNGSAW-DDNKWHRWSA-N 368.437 4.058 50 40 FIGB CO[C@@H](C(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1 2756936 MXKXAVIUAKBWTA-ZHNJOBQTSA-N 374.440 4.103 50 40 FIGB CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2)n[nH]1 4995013 DQBDHWNUMZATFY-PXLXIMEGSA-N 362.433 4.020 50 40 FIGB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccccc1 14923326 HDJINMYFQZIKBE-SRZZPIQSSA-N 364.232 4.128 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 59421126 JSSLTXUOCRYGEY-FYJGNVAPSA-N 369.421 4.055 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccncc1 2286687 ZRPXEOLZXQHTLS-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB CC[C@@H](C)c1ccc(OCCOc2ccccc2/C=C(/C#N)C(N)=O)cc1 4678925 ZLBAGOLOZSQVLZ-BAACNHRGSA-N 364.445 4.050 50 40 FIGB COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl 8161495 IRAWOFZXALZKFN-DJKKODMXSA-N 369.273 4.244 50 40 FIGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1 13233807 JLMNIQYLMYVAHE-UDWIEESQSA-N 362.414 4.071 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc(C)cc3)c2)c1 14134344 TYDJHOZOUIRJRA-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB C=C[C@@H]([C@@H](O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1 98175057 VBJGXVNTBSZUKP-VXKWHMMOSA-N 354.430 4.496 50 40 FIGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C(C)(C)C)cc1 408771536 IUZVEISQPLORET-KGENOOAVSA-N 353.422 4.355 50 40 FIGB O=C(N/N=C/c1cc(Br)cs1)C12CC3CC(CC(C3)C1)C2 3909345 DWTKPFJRQWIMDM-QGMBQPNBSA-N 367.312 4.177 50 40 FIGB C[C@@]12[C@H]3CC[C@@]4(C)OC(=O)CC[C@H]4[C@H]3CC[C@]13CC(=O)C[C@H]2SS3 104379950 ROCVZARQFKQHCD-KUPDVBAFSA-N 366.548 4.390 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1 409172326 CLMVRKFOKWOLNM-CIAFOILYSA-N 363.373 4.236 50 40 FIGB O=C(CBr)Nc1ccc(Cl)cc1C(=O)c1ccccc1F 1995290 WUZSFIKFFXBHMB-UHFFFAOYSA-N 370.605 4.044 50 40 FIGB in-vitro C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cccc(C)c1 4697832 FHLSBEGYHCRSQS-LFVJCYFKSA-N 363.461 4.008 50 40 FIGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc4c(c3)OCO4)sc2c1 5619134 PHTJTTHEMJYEHV-DNTJNYDQSA-N 372.833 4.356 50 40 FIGB Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1cccc(Cl)c1 408759877 NICHVJWTZFLNGU-UUYOSTAYSA-N 367.836 4.217 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1 3215025 WWWVNULXAWYCMA-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 5363182 OWVSTZDEEBKNOF-LFVJCYFKSA-N 365.477 4.427 50 40 FIGB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCl)n2)cc1 929165 CYIJDFRCSHGAIH-UHFFFAOYSA-N 362.838 4.184 50 40 FIGB CCOc1cccc([C@@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c1OCC 1480482 VACIKQGXRVUDQZ-KRWDZBQOSA-N 367.449 4.115 50 40 FIGB O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1O 3100141 KKNDFJNYTKDWRU-OEAKJJBVSA-N 355.397 4.304 50 40 FIGB O=C(CCCCl)OC1=C(Sc2ccccc2[N+](=O)[O-])C(=O)CCC1 3176148 CKTKXNIHGZQRNC-UHFFFAOYSA-N 369.826 4.214 50 40 FIGB Cn1c(C(=O)NN=C(c2ccccc2)c2ccccc2)cc2ccccc21 6614943 CSEMXRRASNSRHK-UHFFFAOYSA-N 353.425 4.361 50 40 FIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)n2c1 59444026 UREJIDWXNCOTRU-DNTJNYDQSA-N 361.232 4.022 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@@H]1O[C@@H]2[C@H](Br)[C@@H]1Br 100645218 USULQEPPCHUSBL-KATARQTJSA-N 371.978 4.358 50 40 FIGB COc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1O[C@@H](C)C(=O)O 409243152 ZFEQNGNOLBATQT-ZENNRRHLSA-N 357.793 4.265 50 40 FIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 2502661 KYAFHXVNBAZRSE-JOCHJYFZSA-N 370.408 4.189 50 40 FIGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 2283754 JMESUUIFNBHOCC-SGTLLEGYSA-N 366.804 4.141 50 40 FIGB CCOC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 2306453 AGWKHIWEYSEOCL-SRZZPIQSSA-N 355.825 4.423 50 40 FIGB NNC(=O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 13282332 AVWFCOAUPSRLKL-UHFFFAOYSA-N 354.413 4.014 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3ccc(Br)cc3)[nH]c2c1 409391042 HESIOKRHCGVRMA-WQLSENKSSA-N 354.207 4.398 50 40 FIGB CC(C)Oc1cccc(/C=N/NC(=O)c2ccccc2Br)c1 20760722 PZJASGQPXGBABW-YBFXNURJSA-N 361.239 4.000 50 40 FIGB N#CSc1c(-c2ccc(Br)cc2)nn(-c2ccccc2)c1N 27829210 VOYFGMMBZKHCHX-UHFFFAOYSA-N 371.263 4.457 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c1C 408997455 GJBYAFRNBSWPAD-IWIPYMOSSA-N 359.473 4.404 50 40 FIGB N#CC(NC(=O)c1ccc(COc2ccccc2Cl)o1)=C(Cl)Cl 1775965103 UTSXPPOOIXZIKO-UHFFFAOYSA-N 371.607 4.412 50 40 FIGB CC(C)Oc1ccccc1/C=N/NC(=O)c1cc2c(s1)CC[C@H](C)C2 3458203 BWGMTABXWAQWJZ-OMBDHMDGSA-N 356.491 4.424 50 40 FIGB CC/C(=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1C)c1ccccc1 4751040 FZTBOIRRJNFUMB-HAVVHWLPSA-N 371.868 4.298 50 40 FIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1C(F)(F)F 5370505 MLPNGVVEFHNOMP-KIHMUJGBSA-N 352.381 4.336 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1O 33471973 NTGTZRXDEQBSAH-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB CCN(NC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)c1ccccc1 1253401 UUMJPPVBEZXYNG-UHFFFAOYSA-N 374.484 4.097 50 40 FIGB CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 2077387 PGZGIKOMAYHTHQ-CJLVFECKSA-N 354.450 4.418 50 40 FIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 2290665 KWADHLWTWFZJSD-KPKJPENVSA-N 361.279 4.159 50 40 FIGB CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)NC(c2cccc(Cl)c2)=N1 4178397 AKEOXBGZZJZDCS-UHFFFAOYSA-N 367.680 4.351 50 40 FIGB COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)c(OC)c1OC 4932854 IATUVGSVUQMOLR-JLHYYAGUSA-N 352.415 4.386 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(C)C 7158067 OGZQMRTYWUVHOD-POCPDCKQSA-N 370.493 4.332 50 40 FIGB CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 8082320 SCYAVFDYEOPZIX-LFVJCYFKSA-N 374.440 4.428 50 40 FIGB N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)NC1CCCC1 33728253 RFRBEFJZIGEXST-MOSHPQCFSA-N 371.440 4.103 50 40 FIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc2ccccc2c1 42645485 ZJVGRGQVAZWKNH-RGVLZGJSSA-N 353.765 4.165 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 5543213 OKTYBYXWWHQWAB-HZHRSRAPSA-N 357.413 4.011 50 40 FIGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccs2)C(C#N)=C(N)O1 16606637 WCYVIAFZZCTIQM-MRXNPFEDSA-N 371.849 4.122 50 40 FIGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3/C[C@H]4CC=C[C@H]34)cc12 36262087 NHRLWHXYDAXSMV-HAPAKVKZSA-N 362.458 4.077 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC#N 59335667 DBINZUUDXPPRLU-RGEXLXHISA-N 357.413 4.172 50 40 FIGB COc1cccc(C(=O)/C(C#N)=C\c2ccc(F)c(Br)c2)c1 69033340 JDZCQTZXTZUTOX-QPEQYQDCSA-N 360.182 4.387 50 40 FIGB O=C(CSCCc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 408727552 QKUTYADXKCYAGM-RGVLZGJSSA-N 367.301 4.419 50 40 FIGB O=C(NNC(=S)Nc1ccccc1)c1sc2ccccc2c1Cl 3226352 NWMOFRIGTZQORS-UHFFFAOYSA-N 361.879 4.186 50 40 FIGB O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 4702524 YQNXYOAGPZQCNR-WTZCTBQZSA-N 364.188 4.331 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1 6709118 KSUVJSRRIQWYJW-VGOFMYFVSA-N 354.793 4.177 50 40 FIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(F)(F)F 16388447 HDUQCIRLDDDIDB-FMIVXFBMSA-N 361.279 4.159 50 40 FIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1cccc(-n2cccc2)c1 408960302 KXJGNCCSZAPDLM-ULJHMMPZSA-N 372.472 4.150 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1ccc(Cl)cc1Cl 408972181 NCXAVJSLDNIIGJ-JAIQZWGSSA-N 366.248 4.341 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OCC 6945448 ZPCVZOBDLVVVQL-GHRIWEEISA-N 354.450 4.006 50 40 FIGB Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccccc1 28216165 OYABTZWIJDCMFF-HYARGMPZSA-N 363.486 4.337 50 40 FIGB CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 17075919 XXKQBMKTTLEZLN-SMEDBKPVSA-N 370.456 4.423 50 40 FIGB CC[C@@H](C)n1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 408963733 ANKCABDBVWPLOL-REMUQMNCSA-N 362.408 4.387 50 40 FIGB Cc1ccc(NC(=O)N/N=C/c2ccc(N3CCCC3)c(C)c2)cc1C 408848652 RPLWCNQULLARCT-HYARGMPZSA-N 350.466 4.368 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1OC 408765185 XEVAVSXSDJRJAB-WOJGMQOQSA-N 358.397 4.403 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCCCC2)o1)c1ccccc1 409251967 RNLHJTINFKHDDA-JFPYRBRCSA-N 363.461 4.444 50 40 FIGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/Cc1ccccc1 4156423 CIFAQRTYWMYCEA-QDBSGRMGSA-N 351.233 4.105 50 40 FIGB NNC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 226335000 AITFYKAFCPBYFD-PKNBQFBNSA-N 352.821 4.075 50 40 FIGB O=P1(CCc2ccccc2)C[C@H](Br)[C@@H](Br)C1 1560248 MOWPSTVXVPRHHW-RYUDHWBXSA-N 366.033 4.133 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(C)c2ccccc12 101675827 PKPCEUSZXLJNGS-PXNMLYILSA-N 351.413 4.187 50 40 FIGB O=C(OCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1Cl 2308965 FVGMLLDYMSLZQH-UHFFFAOYSA-N 370.772 4.468 50 40 FIGB biogenic O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1sc2ccccc2c1Cl 2780027 JHUMCTYPDQJIMB-KGLIPLIRSA-N 370.861 4.119 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)c(C)c1 3315479 XPEXHKPIHOWOGF-UFFVCSGVSA-N 370.250 4.311 50 40 FIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(C(F)(F)F)c1 4544611 GLYDABMTEWYWOK-DNTJNYDQSA-N 371.702 4.031 50 40 FIGB CCOC(=O)N/N=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 7948828 VSSVJBGRHWKIJE-VCHYOVAHSA-N 363.757 4.121 50 40 FIGB C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)c1ccco1 100527450 BEYNPRSPGCSVKR-HZHRSRAPSA-N 361.401 4.081 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1Cl 408590311 OVNBUCUUPKUWRH-FSJBWODESA-N 366.852 4.215 50 40 FIGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccc(C)c(C)c2)cc1 408954332 SNHWQHWLLARNES-HMAPJEAMSA-N 362.433 4.258 50 40 FIGB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCBr 2238016 NADPJYKRZDSDAR-UHFFFAOYSA-N 356.223 4.141 50 40 FIGB CC(C)c1[nH]nc2c1[C@@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2 4631746 RUWUOHRUGAAZTP-KRWDZBQOSA-N 364.449 4.073 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC 6410593 ZSMFRDAQAKWXPT-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB CC[C@H](C)c1ccccc1OCCCOc1cccc(/C=N/NC(N)=O)c1 9425722 LFRPEYLKVRACMX-PFRBSUFTSA-N 369.465 4.050 50 40 FIGB COc1ccc(Cl)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1 8159991 IVYLPTFXDDGYHV-DJKKODMXSA-N 369.273 4.244 50 40 FIGB Cn1cc(CCC(=O)[C@@H]2C=CC=C/C2=N/C(=O)CCCl)c2ccccc21 104274603 RJUKHAYFDNJFBL-USMQXWLVSA-N 368.864 4.019 50 40 FIGB COc1cccc(/C=C(\C#N)C(N)=S)c1OCc1ccc(Cl)cc1 107790128 CGEXWIKSZNIIDW-NTEUORMPSA-N 358.850 4.121 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OC(C)C 6959732 IPNCBKUWNOAZFQ-SRZZPIQSSA-N 360.841 4.208 50 40 FIGB CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 806518 QYZPALOOTYVTEI-GFCCVEGCSA-N 363.248 4.232 50 40 FIGB CCCCCCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2ccccc21 104360893 BOTBUJZPVUTUHF-PFONDFGASA-N 356.495 4.034 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)c2ccccc12 408779353 VHYZABLIRHSMEV-VKAVYKQESA-N 371.440 4.460 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCC 408599481 VLSRXGCMRAQICO-HZHRSRAPSA-N 362.429 4.401 50 40 FIGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 710948 KUTXMMCNIGWMGD-PXLXIMEGSA-N 374.400 4.127 50 40 FIGB CCOC(=O)c1sc(NC(=O)C2CCCCC2)c(SC#N)c1C 7345716 ZXWOGUGJLKUOLQ-UHFFFAOYSA-N 352.481 4.325 50 40 FIGB CCOC(=O)c1c(N/C=C(/C#N)C(=O)C(C)(C)C)sc2c1CCCC2 6047312 RKTANWKEZYJILW-QXMHVHEDSA-N 360.479 4.238 50 40 FIGB O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc2ncsc2c1 9836094 GBQRGJNSTZSXTP-UHFFFAOYSA-N 354.822 4.255 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 58871472 GHAAIRPXCAQYFL-FYJGNVAPSA-N 363.442 4.073 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc3ccccc23)[C@@H]2CCCC=C12 652072 WDMWIVMWBDGYFT-CTNGQTDRSA-N 350.425 4.433 50 40 FIGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc(F)cc1 58915616 ANIHZHVWIHKLKF-UDWIEESQSA-N 350.846 4.253 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(Cl)cc1Cl 59334483 NFOIWHGCNNMHQW-ZSOIEALJSA-N 362.260 4.396 50 40 FIGB N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)[C@H](C#N)C12CCCC2 2051444 DNPVEWJCOLIGDG-AWEZNQCLSA-N 357.866 4.138 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)cc1 4722776 MFZIXRXDIVJHKE-NTEUORMPSA-N 371.234 4.263 50 40 FIGB COc1ccc(CCCC(=O)N/N=C/c2cc(Cl)ccc2OC)c(C)c1 408914143 VRUXERCDXLFJRJ-LPYMAVHISA-N 374.868 4.139 50 40 FIGB O=C(CSc1nc2ccccc2s1)N/N=C\c1c[nH]c2ccccc12 62737431 LCGJHHIGJHKPCO-JMIUGGIZSA-N 366.471 4.020 50 40 FIGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1cccnc1 15133492 LLTZQAFJRLGETL-QRVIBDJDSA-N 365.820 4.078 50 40 FIGB CC/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 4615121 WFGWDCKEMYOBLW-DARPEHSRSA-N 358.441 4.455 50 40 FIGB N#C/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 4675733 YSDQOZUSMVZHIZ-RVDMUPIBSA-N 359.389 4.135 50 40 FIGB aggregator CCCCc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)s1 5707988 WNIJVUPTQKYWJH-ODLFYWEKSA-N 350.871 4.273 50 40 FIGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](O)(C#N)[C@@]4(C)CC[C@@H]32)C1 70697067 MUZZVNREAYPPFE-YRCTWBNTSA-N 357.494 4.136 50 40 FIGB biogenic CCO[P@](=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1NC 103613711 IHWWYHBACRJSQL-ZUSJUXBOSA-N 368.373 4.152 50 40 FIGB O=S(=O)(C/N=C(\N=C=S)c1ccccc1)c1ccc2ccccc2c1 27345164 SEZKRMVJOJOLOA-VZCXRCSSSA-N 366.467 4.121 50 40 FIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 15219882 VMVRGDHHFPVXFJ-PDGQHHTCSA-N 362.429 4.423 50 40 FIGB O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1ccccc1 4814088 LFRJZRRKVMGJDQ-OEAKJJBVSA-N 364.832 4.400 50 40 FIGB COc1ccc(C2=C/C(=C3\C(=O)Oc4ccccc4C3=O)SS2)cc1 5492894 BVBKKOXITCDGMK-WUKNDPDISA-N 368.435 4.487 50 40 FIGB N#CC1=C(N)Oc2n[nH]c(CSc3ccccc3)c2[C@H]1[C@@H]1C=CCCC1 6720033 PGJBSYZRIMXJQI-DYVFJYSZSA-N 364.474 4.228 50 40 FIGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC(=O)O 209483316 FABQGHOIAFLCFL-VIZOYTHASA-N 357.793 4.185 50 40 FIGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408797270 QZMZZVPHUAGJIX-IZZDOVSWSA-N 363.200 4.253 50 40 FIGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(C)ccc(C)c2nc1Cl 883063 GJDGWWKSFAZYOR-QGZVFWFLSA-N 367.836 4.176 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(Br)s2)cc1 3617412 DAZFHDVNZVAVDA-MDWZMJQESA-N 368.277 4.157 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccccc1 4784711 XBDIPLUDPYQIRU-HZHRSRAPSA-N 360.413 4.038 50 40 FIGB Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 5728619 PFTRQLIWCYMTNE-BKAYVGFPSA-N 356.429 4.170 50 40 FIGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 6500605 CDPUFBBDHOFZNO-ZSOIEALJSA-N 356.809 4.211 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14027686 SXYRHPIAMQKUKL-LFVJCYFKSA-N 373.456 4.096 50 40 FIGB COc1ccc2cc(/C=C(/C#N)C(=O)c3ccc4c(c3)OCO4)ccc2c1 48333065 ZSSIKTWQHNDEIF-NVMNQCDNSA-N 357.365 4.367 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 58900821 HLIULXVZAJIBHF-BUVRLJJBSA-N 371.440 4.320 50 40 FIGB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2[C@H](Br)N(O)c1ccccc1 100367261 WDPDSCLUQNSCNY-GKLJAUDBSA-N 352.272 4.245 50 40 FIGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 408953402 PIBPZDZPQUMOOV-PEZBUJJGSA-N 353.429 4.484 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nn3c(C)ccc3C)c2C)cc1 409385881 KTQDJFXCIZWBGL-FYJGNVAPSA-N 372.472 4.498 50 40 FIGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1OC 704149 PPZXSJRSPJRXND-KRWDZBQOSA-N 364.426 4.137 50 40 FIGB CC(/C=N/NC(=O)COc1cccc(C(F)(F)F)c1)=C\c1ccccc1 20931533 NXFWUKDHKZAMOU-GCVLOMLJSA-N 362.351 4.290 50 40 FIGB CCCCOc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19797668 HWWSFTYASYRFOB-FPOVZHCZSA-N 372.472 4.459 50 40 FIGB Cc1cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)[nH]n1 18240578 GOJAVLZPOJYAMA-UFWORHAWSA-N 363.204 4.049 50 40 FIGB C[Si](C)(C)O[C@@]1(C#N)CC[C@H]2C[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 169808811 KZHKLJLJVDSJTO-LUKYLMHMSA-N 350.611 4.424 50 40 FIGB CC(C)Oc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 1967929 WKHYQSGPYMEAKD-WOJGMQOQSA-N 361.850 4.466 50 40 FIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\CCCc3ccccc32)c1 4926181 ZFVSFAGBFUVSTF-BSYVCWPDSA-N 350.462 4.354 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1OC(C)C 5130415 DVESBEGEUPWLHL-SFQUDFHCSA-N 350.418 4.337 50 40 FIGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccco1 5771358 LRNICPKYUKFGKO-CIAFOILYSA-N 354.793 4.276 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C 408586398 BQKPCZHUJVBVCQ-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 3174418 ITYFBPRDOLYEGQ-QQHUYRGFSA-N 373.884 4.104 50 40 FIGB COc1ccc(C(=O)N/N=C(\C)CC(C)(C)c2ccccc2)cc1OC 4502775 XAKDCAFQDIMUOJ-PXLXIMEGSA-N 354.450 4.177 50 40 FIGB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CCl 12504805 NADKLCXJMMWRRK-KEYYUXOJSA-N 351.874 4.482 50 40 FIGB in-vitro C[C@H](Sc1nc2ccccc2o1)C(=O)C(C#N)=C1Nc2ccccc2N1 13003403 VVFQKFITCWQGDX-NSHDSACASA-N 362.414 4.150 50 40 FIGB N#C/C(=C\c1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 39991753 DSTWUAUOSFARRI-MDWZMJQESA-N 351.406 4.183 50 40 FIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)c1 59432926 UEFOYXSONPFABK-RIYZIHGNSA-N 371.234 4.317 50 40 FIGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C1CCCCC1 100522917 NKTWYBAJSFNVRJ-FSJBWODESA-N 369.387 4.106 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc3ccccc23)[C@H]2CCCC=C12 652075 WDMWIVMWBDGYFT-FPOVZHCZSA-N 350.425 4.433 50 40 FIGB COc1cc(C(=O)NNc2ccccc2C(F)(F)F)cc(Cl)c1OC 45480519 HKSLZYPFOVAGSS-UHFFFAOYSA-N 374.746 4.133 50 40 FIGB C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)c(Cl)c1 5381827 IEDQPTDPLYDTAF-RGVLZGJSSA-N 350.249 4.213 50 40 FIGB Cn1c(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1-c1ccccc1 67300019 HJRLPSGFNZFRFH-DTQAZKPQSA-N 352.397 4.405 50 40 FIGB COc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1O[C@H](C)C(=O)O 409243151 ZFEQNGNOLBATQT-CDCQXCROSA-N 357.793 4.265 50 40 FIGB CCCCc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1 4680509 MRMZQVIHGMUWNV-LFVJCYFKSA-N 373.456 4.271 50 40 FIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC 408802667 FWTUGMQNNKVWET-GXDHUFHOSA-N 356.809 4.293 50 40 FIGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1c[nH]c2ccccc12 1081928 BIKWLMBYFWZJCU-BGHCKBSUSA-N 356.429 4.272 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@H]1O[C@H]2[C@H](Br)[C@@H]1Br 100645216 USULQEPPCHUSBL-UTINFBMNSA-N 371.978 4.358 50 40 FIGB N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 705718 JCXDOFLLTQMHJP-SFHVURJKSA-N 365.433 4.192 50 40 FIGB COc1ccccc1-c1ncnn1C1=C(C#N)[C@@H]2CCCCC[C@@H]2S1 5019050 QGJWMTWMGAXBIM-GUYCJALGSA-N 352.463 4.342 50 40 FIGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C1/C[C@H]2C=CC[C@H]12 6328468 ZRBLUIHJUAHIPS-QNSYVVHMSA-N 359.640 4.094 50 40 FIGB N#CC(C#N)=C1C=C2C=C(N3CCN(Cc4ccccc4)CC3)CC[C@@H]2CC1 22036158 QQQGOAIYCLQLRH-FQEVSTJZSA-N 370.500 4.162 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Br)o1 100195418 HYAJPXHYHIUDIJ-WZUFQYTHSA-N 367.206 4.051 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Cl)c2)cc1 408746308 RRTKMZDOKFBXBD-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccsc1)C(C#N)=C(N)O2 803705 VQOKXAXZQRHRHK-MRXNPFEDSA-N 368.849 4.114 50 40 FIGB [C-]#[N+][C@H](Cc1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 104899847 QZHWQFLERUELLU-INIZCTEOSA-N 364.264 4.019 50 40 FIGB O=C(CNc1cccc2ccccc12)N/N=C/c1c(F)cccc1Cl 5338636 NRGYBXLCQGSPPH-FOKLQQMPSA-N 355.800 4.195 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2Br)o1 113836943 DHYRQVHGRNREOS-XFXZXTDPSA-N 360.207 4.488 50 40 FIGB CC(C)n1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21 408544117 SBTSKNXKQKYHTC-YBEGLDIGSA-N 373.412 4.466 50 40 FIGB Cc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c1 30895854 CMZSEWDEHBNJEJ-UKWGHVSLSA-N 351.233 4.139 50 40 FIGB CCc1ccc([C@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1 36646317 SPFMJEZMZFCURP-IBGZPJMESA-N 356.454 4.388 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 3109524 BURXUOZDGLOSBW-CIAFOILYSA-N 374.893 4.288 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 4041376 IYLXBOISXQHCOC-MHWRWJLKSA-N 365.389 4.272 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1 4455857 ROMFSQJYHSVCMF-LFVJCYFKSA-N 373.456 4.096 50 40 FIGB CC(C)[C@H](NC(=O)[C@@H]1C=CC(Cl)=C[C@@H]1Cl)c1nc2ccccc2[nH]1 5020162 SEGLMRSDGFVHGE-WWGRRREGSA-N 364.276 4.292 50 40 FIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 5777327 JEVZEVUVLZHGBG-CIAFOILYSA-N 367.792 4.094 50 40 FIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccsc1 6329603 RSHPDTWZZHQHHN-GIJQJNRQSA-N 357.262 4.364 50 40 FIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)c1 28216973 RWLINFYSPGAKCW-YDZHTSKRSA-N 361.445 4.180 50 40 FIGB COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1O 659615 LLCTYHPKUHJJFN-WSDLNYQXSA-N 360.369 4.064 50 40 FIGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1ccccc1 4083836 ONKADZXMMZNFDL-JJIBRWJFSA-N 353.425 4.323 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1O 4815536 YNJANZXCIKFJTH-AWQFTUOYSA-N 367.232 4.170 50 40 FIGB N#CC1=C(n2ncnc2-c2ccc3c(c2)OCO3)S[C@H]2CCCCC[C@H]12 5019044 YOFHZOCZWZAQQV-DYVFJYSZSA-N 366.446 4.062 50 40 FIGB N#Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)c1 8812328 YBZGZBWENXDGQQ-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 13989352 QDXJJJGNPPRBFW-MDWZMJQESA-N 362.355 4.084 50 40 FIGB N#C/C(=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)Nc1ccccc1 409203508 YKVDXQMONWNNSK-WDZFZDKYSA-N 362.172 4.447 50 40 FIGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Cl)cc1 1103519 ZNEIQLRNCJZKOH-LPYMAVHISA-N 352.821 4.195 50 40 FIGB CCc1cc(C)cc(OCCOc2ccc(C=C(C#N)C#N)cc2OC)c1 4600429 KPSHVACNLVQIPE-UHFFFAOYSA-N 362.429 4.454 50 40 FIGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)o1 14134679 YJBIILHYSYNYIV-VVJWVBNBSA-N 368.820 4.092 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 7157225 PGMGPEPWYISWPI-CXDFQFJYSA-N 362.429 4.044 50 40 FIGB CCOC(=O)/C(C#N)=C(/C(F)(F)F)[C@@]1(C)N(C)c2ccccc2C1(C)C 32573507 FMKKUYXGKBGLDE-NKAIQICCSA-N 366.383 4.118 50 40 FIGB Cc1ccccc1/C=N/NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 4482469 KYTBXWYSGBIVDI-OEAKJJBVSA-N 369.896 4.011 50 40 FIGB COc1ccc(CC(=O)N/N=C(C)/C=C/C=C/c2ccccc2)cc1OC 4862907 UIHJYDNZNORFFW-UJVNMJPBSA-N 364.445 4.008 50 40 FIGB CCOc1ccc(-c2n[nH]c3c2[C@H]([C@H]2CC=CCC2)C(C#N)=C(N)O3)cc1 5130041 PKWDSJVWZHARNF-SUMWQHHRSA-N 362.433 4.002 50 40 FIGB COc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 48573085 PKKVOJGVKQBXGX-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1c(O)ccc2ccccc12 1801799 HKCQDNJHGNSJOV-YDZHTSKRSA-N 370.412 4.008 50 40 FIGB CSC(SC)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1Cl 2582202 MWQSCGNKNJYUNA-UHFFFAOYSA-N 354.305 4.186 50 40 FIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151912 DRUXXZARHRZFCY-UKTHLTGXSA-N 351.406 4.183 50 40 FIGB CC[C@@H](Nc1ccccc1OC)C(=O)N/N=C(C)\C=C\c1ccccc1 15930597 MWQBPXQOPCATMW-WJOBASLESA-N 351.450 4.091 50 40 FIGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C12CC3CC(CC(C3)C1)C2 20352782 WHTJRFGKCCUPOZ-FYJGNVAPSA-N 355.438 4.225 50 40 FIGB N#C/C(=C\Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 101420787 AGGQOCHLOAKBAZ-UKTHLTGXSA-N 371.220 4.383 50 40 FIGB COc1ccc(/C=C(\C#N)C(N)=O)c(OCc2c(C)ccc3ccccc23)c1 408878431 ARIJVEQXTLUIMB-WOJGMQOQSA-N 372.424 4.128 50 40 FIGB O=C(NNc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccccc1 1577926 WTABEMWWQJYGHM-UHFFFAOYSA-N 352.209 4.019 50 40 FIGB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)CCl 3319699 HXEUPOMOCLHUKX-UHFFFAOYSA-N 367.232 4.087 50 40 FIGB CCn1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 6605301 JIEQOZMBLNVTAA-VXLYETTFSA-N 370.434 4.012 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC 57586747 NQTJNTLLZYFRQF-KEBDBYFISA-N 367.232 4.165 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)c1 207825361 HYLPICUYGRYDSR-JXAWBTAJSA-N 361.445 4.231 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1Cl 408870470 FBYAYIGUVLTUKS-SFQUDFHCSA-N 364.832 4.460 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2F)cc1 1434050 LLUFMWRUGBRMPX-ZVHZXABRSA-N 362.404 4.477 50 40 FIGB O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1Cl 1996049 DHOBCUSQSGBXCT-UHFFFAOYSA-N 359.212 4.221 50 40 FIGB in-vitro CCCOc1ccc(/C=N/NC(=O)c2cc(C)oc2C)c(OCCC)c1 3374558 QNUCURAZCTZWRK-FYJGNVAPSA-N 358.438 4.238 50 40 FIGB O=C(N/N=C/c1cccnc1)c1ccccc1OCc1ccc(Cl)cc1 5560715 CJRJTOWKOUBTTF-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)cc1 6966498 IJMQTZZSVQXKCZ-BHSKHCGUSA-N 370.456 4.160 50 40 FIGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4cccc(C#N)c4)[nH]c(=O)c23)C1 14177253 ACSGVRGBXPTMFF-KMHUVPDISA-N 372.453 4.045 50 40 FIGB COc1ccc(Cl)cc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 101444385 GHSYJGCIGHRCDP-AUWJEWJLSA-N 362.820 4.357 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408741630 RFGLGWIDJKHPNM-BUVRLJJBSA-N 374.488 4.232 50 40 FIGB Cc1ccsc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 408843332 FOYFOORFCYGQKW-IUXPMGMMSA-N 363.236 4.329 50 40 FIGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1O[C@@H](C)C(=O)O 409009056 SMUQVSYXTRHQAT-IYVNWDGISA-N 357.793 4.265 50 40 FIGB Cc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(Cl)cc1 409191710 LGVSRYWBZGFIPH-HYARGMPZSA-N 355.869 4.403 50 40 FIGB CCOc1cccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1 409390369 CQJVBPQVCSBYFA-JJIBRWJFSA-N 358.441 4.368 50 40 FIGB Cc1n[nH]c2c1[C@@H](c1c3ccccc3cc3ccccc13)C(C#N)=C(N)O2 708794 ZINXPARDVMTGBU-FQEVSTJZSA-N 352.397 4.243 50 40 FIGB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CCl 4218983 NADKLCXJMMWRRK-GRDNDAEWSA-N 351.874 4.482 50 40 FIGB CN1/C(=C\C=N\NC(=O)c2ccccc2Cl)C(C)(C)c2ccccc21 6367894 FHJGLZCJIVFKME-MYECPZRPSA-N 353.853 4.367 50 40 FIGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Br)s1 17074696 CQDPNQGGVMWBMJ-SMNSCNSHSA-N 363.280 4.155 50 40 FIGB Cc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1 100834626 ZSVZSABIPYRXCY-MORSLUCNSA-N 364.283 4.092 50 40 FIGB O=C(CCl)Nc1ccc2nc(-c3ccccc3Br)oc2c1 226328163 LGBSRFQUKLOSMI-UHFFFAOYSA-N 365.614 4.435 50 40 FIGB Cc1cccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 5827157 OOBZMXFQTRCMQR-QQFZQELXSA-N 361.470 4.482 50 40 FIGB COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)c2ccccc12 5879920 WIVYUUBNZFYBIX-WSDLNYQXSA-N 368.820 4.031 50 40 FIGB C/C(=N\NC(=O)CSCc1ccccc1Br)C(C)(C)C 13573698 FPUXXXNETVANPI-GZTJUZNOSA-N 357.317 4.221 50 40 FIGB O=C(NNC(=O)c1sccc1-c1ccccc1)c1ccc2ccccc2n1 21007592 IMZIJWDGJQVOME-UHFFFAOYSA-N 373.437 4.038 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1O 408780102 SEDOQDHVWGXJEJ-YBEGLDIGSA-N 366.417 4.124 50 40 FIGB CCn1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc21 409246595 JILQMMKMWNYNPU-CYVLTUHYSA-N 357.457 4.317 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCCCO 685944636 JKJREQYKIKYYRK-RVDMUPIBSA-N 366.442 4.130 50 40 FIGB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Br)c1ccccc1 2581857 PLCOTBZUNJTVEE-CYBMUJFWSA-N 369.602 4.323 50 40 FIGB C/C(CC(=O)Nc1cc(Cl)ccc1C)=N/NC(=O)c1ccc(C)cc1 6998854 BBRPCMIGHPJVKK-HMAPJEAMSA-N 357.841 4.091 50 40 FIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccccc1Cl 59473268 NDMBZNWXTURFRI-DJKKODMXSA-N 353.274 4.377 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@H]1O[C@H]2[C@@H](Br)[C@@H]1Br 100645214 USULQEPPCHUSBL-AXTSPUMRSA-N 371.978 4.358 50 40 FIGB Cc1ccnc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c1 408942940 LNYMAIRKBHZKJE-CFRMEGHHSA-N 372.428 4.308 50 40 FIGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 16411103 JVEFECPJPMGPBP-UKTHLTGXSA-N 357.207 4.003 50 40 FIGB Cc1ccccc1-n1ncc(C(=O)NNc2cccc(Cl)c2)c1C1CC1 29820990 JFHYKYLKHTVRAJ-UHFFFAOYSA-N 366.852 4.468 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC 59116915 ZNRONZVSAKDXRL-UVTDQMKNSA-N 356.809 4.293 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCC)cc1 408804101 VUCIXPFLXWPPIS-FOWTUZBSSA-N 366.417 4.038 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccn1 409241051 NARILNYFWDPYMW-ATVHPVEESA-N 360.392 4.174 50 40 FIGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 713571 QOJBLXCLCATZFR-HXUWFJFHSA-N 359.404 4.130 50 40 FIGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 5660551 BKEDZQHTCIAAJF-ZROIWOOFSA-N 374.318 4.038 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1Cl 409017420 WLZCECTVLVICLR-XMOVILSBSA-N 360.841 4.290 50 40 FIGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1 409056555 RWRZLDDCPVALNF-TYMSIUDLSA-N 363.642 4.266 50 40 FIGB C=CCn1c(C)c(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc21 409267643 VIJNYLVYBMKUDU-DEDYPNTBSA-N 373.547 4.172 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1ccc(Cl)cc1 408592399 XZPPSOYKFWTSJW-FSJBWODESA-N 366.852 4.094 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)cc1C 6332839 KZMTZZLERLUKSD-YDZHTSKRSA-N 361.445 4.180 50 40 FIGB COc1ccccc1N(C(=O)CCl)c1cn(C(C)=O)c2ccccc12 978319 FKZSWIPTPGQJJO-UHFFFAOYSA-N 356.809 4.214 50 40 FIGB Cc1nc2ccc(Br)cc2c2c1C[C@@H](CBr)O2 2317134 UPVIUVCOQWTCOP-VIFPVBQESA-N 357.045 4.004 50 40 FIGB O=C(COc1ccc(Cl)cc1Cl)NN=C1C2CC3CC(C2)CC1C3 4156488 ZLQAVGVZGQGMNG-UHFFFAOYSA-N 367.276 4.301 50 40 FIGB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NNC(=O)c1cccc(Cl)c1 6221009 XCXKDZKFQDPIFR-FNORWQNLSA-N 369.635 4.121 50 40 FIGB CC(C)(C)c1nc2c([nH]1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 13999750 BJBFJPVESMALNL-LBPRGKRZSA-N 363.248 4.232 50 40 FIGB CCOC(=O)/C(C#N)=C(\C=C\c1ccc2c(c1)OCCO2)c1ccccc1 33527837 NARKCRPYFMVWBJ-KHTMJJOGSA-N 361.397 4.011 50 40 FIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408800430 PHPMXAVWOCSGBA-SFQUDFHCSA-N 364.832 4.460 50 40 FIGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 408847125 PIRFMBAAEGWXPD-MTJSOVHGSA-N 356.788 4.425 50 40 FIGB Cc1cc(C)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1 408964055 FMUCBRYRUSYTGQ-KEBDBYFISA-N 351.362 4.030 50 40 FIGB CC(C)(C)[Si](C)(C)OCC[C@@](C)(O)CC(=O)OCc1ccccc1 1857780958 QTJBWAOCMULFMY-LJQANCHMSA-N 352.547 4.283 50 40 FIGB CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)Cl 2362797551 DLSMTLCMZKOHDV-UHFFFAOYSA-N 374.984 4.355 50 40 FIGB CC(C)c1[nH]nc2c1[C@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2 4631729 IZCTXNXPUWZNIV-QGZVFWFLSA-N 364.449 4.073 50 40 FIGB O=C(N/N=C/c1cccs1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408727739 GGXGQFBNMYOYRK-SSDVNMTOSA-N 365.433 4.171 50 40 FIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1 408799322 KJSCBGQBCPJTFJ-LZNAANCOSA-N 352.409 4.226 50 40 FIGB C/C(Cc1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1C 4751046 WLCWFWBZAMNORG-HAHDFKILSA-N 371.868 4.102 50 40 FIGB O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccccc1F 5129945 JKTVOSBIHCJIHF-BUVRLJJBSA-N 359.404 4.474 50 40 FIGB COc1cc(/C=C/C(=O)Cl)ccc1OC(=O)c1ccc(Cl)cc1 218728071 QKAOWCIHERSURS-YCRREMRBSA-N 351.185 4.346 50 40 FIGB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCBr)cc1 225622491 BHNXMXXSJJLDBA-QGZVFWFLSA-N 372.303 4.384 50 40 FIGB C[C@]12CC[C@](O)(C#N)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 245239657 LLOYXBYLIJXIJG-WMKCGOMXSA-N 359.510 4.027 50 40 FIGB COc1cc(C)c(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 408548849 MBSNHFKUBZTGOY-UFFVCSGVSA-N 372.808 4.176 50 40 FIGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1Br)c1cccc(C#N)c1 408569284 ZZEPXFAMWSAPAG-AUWJEWJLSA-N 354.163 4.293 50 40 FIGB C=CCn1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc21 409228536 BHMDNCSDOZTKJX-SILNSSARSA-N 369.468 4.483 50 40 FIGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 672128 UJYAZEBGNZKXJE-KEBDBYFISA-N 364.232 4.106 50 40 FIGB O=C(NNc1ccccc1C(F)(F)F)c1cc(Cl)nc(Cl)c1 2158672 QEQGPLMWRBUTEK-UHFFFAOYSA-N 350.127 4.164 50 40 FIGB COc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 4710700 MJNIRFOWHDOUBI-FYWRMAATSA-N 361.376 4.171 50 40 FIGB CCN(C(C)=O)c1nc(/C=C(\C#N)c2nc3ccccc3s2)cs1 8774412 MOWWNFHGIQIUSP-XYOKQWHBSA-N 354.460 4.190 50 40 FIGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC(=O)O 33727739 SRNAOCLTXUAYHE-SDQBBNPISA-N 361.756 4.015 50 40 FIGB CCCC(C(=O)OCCN(C)CCCl)(c1ccccc1)c1ccccc1 95115814 KMGONXMKQSQGNB-UHFFFAOYSA-N 373.924 4.487 50 40 FIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1 408899563 QJLGHUKQNJCMCX-RIYZIHGNSA-N 356.809 4.162 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC#N)cc1Cl 408989171 KHGCMCJYHHLADY-GDNBJRDFSA-N 351.793 4.096 50 40 FIGB COc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCC3)c2C)c1 409188332 GQRAVGCFHJVEDM-LDADJPATSA-N 363.461 4.069 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OC(F)F 3326763 BFADHBAYNFSDFV-OQLLNIDSSA-N 372.371 4.459 50 40 FIGB CC[C@H](Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20132476 CHIIZYKOSPCBSJ-NSHDSACASA-N 368.300 4.009 50 40 FIGB Cc1c(/C=C(/C#N)C(=O)N(C)C)c2ccccc2n1Cc1ccccc1F 59334565 WYQJYYDVRJEKAL-ATVHPVEESA-N 361.420 4.132 50 40 FIGB Clc1cc2c(cc1Cl)N[C@H](Br)[C@@H](Br)N2 97971796 RQOASEPGDQTBCL-YUMQZZPRSA-N 360.864 4.273 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 409362234 IPJVJCHACHKUQO-CIAFOILYSA-N 363.373 4.236 50 40 FIGB CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1-c1ccccc1 4405489 TUFFDAMKABUMLX-XQNSMLJCSA-N 351.450 4.365 50 40 FIGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)CCc1ccccc1 5342627 FNTMSQPFZOVWOT-HZHRSRAPSA-N 371.868 4.102 50 40 FIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 6363974 XZUASVNFLPKVGL-RGVLZGJSSA-N 359.813 4.310 50 40 FIGB Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2cccc3ccccc23)c(C)c1 10213008 IGDOXRFIMSUVES-INIZCTEOSA-N 361.445 4.162 50 40 FIGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NCc1cccnc1 26966320 LEDGWQWCMGCUFF-XDHOZWIPSA-N 355.397 4.097 50 40 FIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(Cl)c1 59417853 BXJZJTYSSWQHMJ-CNHKJKLMSA-N 372.595 4.319 50 40 FIGB Cc1ccc2c(Cl)c(C(=O)NNc3ncc(Cl)cn3)sc2c1 72427698 OFIKIRWFRTUAEH-UHFFFAOYSA-N 353.234 4.063 50 40 FIGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 211727077 NKXCIQCLDZWZNA-DHDCSXOGSA-N 368.776 4.333 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1C(C)C 408965726 LROYRKTZUOCAEW-KEBDBYFISA-N 368.393 4.104 50 40 FIGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1 705563 COYMVMZADDOORO-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 863669 RIHQBYWSCRIZPG-LPYMAVHISA-N 374.469 4.468 50 40 FIGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1 4136079 VYCUHEHVBSICKQ-KGENOOAVSA-N 366.421 4.003 50 40 FIGB COC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 7154457 SCURPJXASGJRIB-OQLLNIDSSA-N 372.218 4.108 50 40 FIGB CCc1ccccc1N1C(S)=C(C#N)C(=O)N[C@H]1c1ccccc1Cl 19810131 VRSPOLGHTAPFHJ-QGZVFWFLSA-N 369.877 4.202 50 40 FIGB CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](CC=O)O[Si](C)(C)C(C)(C)C 299803690 SDMWXXAKZKQHPQ-CABCVRRESA-N 362.659 4.349 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(SC)cc3)cc2c1 409185327 XHHOUTYGLTXPNV-NDENLUEZSA-N 354.431 4.317 50 40 FIGB N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccc(Cl)cc1 1194995 XDICWQZGGIAVLG-VQHVLOKHSA-N 351.587 4.241 50 40 FIGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 3343171 MQAZVJHXBHWVBI-LFVJCYFKSA-N 373.456 4.183 50 40 FIGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc3ccccc23)c(C)c1 6189651 KZXBYISCUNHNDO-BUVRLJJBSA-N 373.456 4.326 50 40 FIGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2cc(Cl)ccc12 40140007 HGZBADLZVGXDIO-QPEQYQDCSA-N 364.788 4.382 50 40 FIGB CCN1c2ccc(/C=N/NC(=O)Cc3ccccc3)cc2C(C)=CC1(C)C 208509184 SJSIEXGEZFRWDZ-LFVJCYFKSA-N 361.489 4.401 50 40 FIGB CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2063780 QLEZABCYLANCOU-LJQANCHMSA-N 366.461 4.316 50 40 FIGB COc1ccc(/C=N/NC(=O)c2cccs2)cc1OCc1ccccc1 5720873 SWLIAGMINFICHU-FYJGNVAPSA-N 366.442 4.100 50 40 FIGB C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2ccc(NC(=O)CCC)cc2)C1 30904709 GWIFQFZNKYMLLT-QIDKZVQTSA-N 353.466 4.443 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1O 33471971 NKRWHRCCRALNNE-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 33787077 ZFPSEIZUVXCEFN-YDZHTSKRSA-N 362.429 4.344 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 107682469 YSXSQIMLCIVLAY-FOWTUZBSSA-N 366.417 4.125 50 40 FIGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)cc1OC 408580807 RTZJABIZASFJSL-VGOFMYFVSA-N 359.809 4.439 50 40 FIGB CC(C)(C)c1ccc(-c2[nH]nc(NC(=O)CCl)c2Br)cc1 4277613 KUVOQRHXYGJABI-UHFFFAOYSA-N 370.678 4.314 50 40 FIGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 4620490 LZCJEAAFNDFFBL-QGZVFWFLSA-N 360.244 4.278 50 40 FIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1 408720264 XAWFEVQVKJIAIQ-YSRRJJCPSA-N 366.408 4.477 50 40 FIGB CCn1cccc1C=NNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 408931145 HRBHEEKMHHTCHF-UHFFFAOYSA-N 368.868 4.333 50 40 FIGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1 3306824 RRFIVAOSMZAMLI-LTGZKZEYSA-N 359.473 4.242 50 40 FIGB O=C(COc1cccc(Oc2ccccc2)c1)Oc1ccc([N+](=O)[O-])cc1 4071109 JJTAZEFFQYPUIE-UHFFFAOYSA-N 365.341 4.372 50 40 FIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccc(Cl)cc1Cl 20086225 WPVYCXPARZMVER-OAHLLOKOSA-N 356.216 4.161 50 40 FIGB CN(C)/C=C(\C#N)C(=O)c1cccc(Oc2ccc(Br)cc2)c1 4105327 YBIIMEOJAVSMKJ-WYMLVPIESA-N 371.234 4.393 50 40 FIGB CC(C)/C(=N/NC(=O)CCC(=O)Nc1ccccc1Cl)c1ccccc1 4677202 FNVFRRQHDSKTPJ-GFMRDNFCSA-N 371.868 4.235 50 40 FIGB CC(C)(C)c1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1O 17527737 VJFUCUUNWYUTNF-UHFFFAOYSA-N 350.398 4.329 50 40 FIGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408548904 NDCRWHCXNXQNFO-YVLHZVERSA-N 350.418 4.175 50 40 FIGB N#C/C(=C/c1cccc(I)c1)c1cccc(C#N)c1 408569246 ZSZRMKVNMULWQG-CHHVJCJISA-N 356.166 4.227 50 40 FIGB Cc1cc(NC(=O)N/N=C\c2ccc(F)cc2)ccc1Br 408905018 RZMCCDORNJJUPQ-NVMNQCDNSA-N 350.191 4.052 50 40 FIGB CCOc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(OCC)c1 409391604 KAWNMNHJIRLUSA-GDNBJRDFSA-N 363.417 4.433 50 40 FIGB N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1 1410500 REVYSVPOGLHKHJ-WYMLVPIESA-N 363.804 4.382 50 40 FIGB CC(C)(C)c1cc(C(C)(C)C)c(OCCBr)cc1OCCO 4473246 UEJPECRUCFLYOH-UHFFFAOYSA-N 373.331 4.426 50 40 FIGB CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(N)=O)cc2)cc1 4600320 IKDZBIKNAXIMKI-BAACNHRGSA-N 364.445 4.050 50 40 FIGB CCc1cc(C(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cs1 17072726 WSAUNYYZRRIBGJ-XUTLUUPISA-N 350.443 4.199 50 40 FIGB CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1 20791802 MQLMQPAZKQROAZ-DUBROFONSA-N 369.468 4.167 50 40 FIGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccccc2)cc1 33351670 GJKVZSFOCNGVEQ-ICFOKQHNSA-N 356.429 4.089 50 40 FIGB CCCCc1ccc(N/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 100676532 DJXPEYFUXAZMEK-HKWRFOASSA-N 365.477 4.334 50 40 FIGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(N)=O 208451266 XEEAFVPLOLNYGF-MDWZMJQESA-N 370.239 4.389 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 214114113 RVRWLSUJJBAERY-RVDMUPIBSA-N 370.330 4.263 50 40 FIGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1 409222870 XXMMGKMBPKQEOV-JXAWBTAJSA-N 361.445 4.231 50 40 FIGB Cc1cccc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc12 977010 FCGCCWBTSPYFLW-MRXNPFEDSA-N 365.820 4.011 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccco1 1450839 LUMOFXLJZJAOFD-VCHYOVAHSA-N 359.179 4.066 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 4455711 ZFFDVFGGHZHMBA-UKTHLTGXSA-N 367.250 4.456 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OC(C)C 6944965 SBZJKTSCKPWHKY-SFQUDFHCSA-N 356.466 4.228 50 40 FIGB CCNc1ccccc1C[P@@](=O)(c1ccccc1)c1ccccc1O 2315715 IRSZJQSWKITYOA-RUZDIDTESA-N 351.386 4.338 50 40 FIGB CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(C)cc1)C(Cl)Cl 3109717 VXVSHMFJTDAACU-AWEZNQCLSA-N 368.197 4.121 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 6410473 ODNICUMKUQZAOW-CPNJWEJPSA-N 364.445 4.097 50 40 FIGB CCCCC(O)(CCCC)C(=O)NNc1ccc(Br)cc1 2270530 JHVMJUWMLCNWNB-UHFFFAOYSA-N 357.292 4.004 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCC 9202254 FWTJOSMFFOAHDU-CIAFOILYSA-N 360.841 4.210 50 40 FIGB C[C@H](N[P@](=O)(Cl)Oc1ccccc1)C(=O)OCc1ccccc1 136245462 AOZOBLLGZPZKKD-NPMABZOXSA-N 353.742 4.134 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c(C)c1 408797260 QPQMBVOZUMTDJS-MKMNVTDBSA-N 354.793 4.231 50 40 FIGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1F 408867751 MWPGHFUBMNATHB-RVDMUPIBSA-N 354.381 4.169 50 40 FIGB N#C/C(=C/c1ccc(I)cc1)c1ccc(C#N)cc1 409368583 CTZPMVNXPMCUGP-DHDCSXOGSA-N 356.166 4.227 50 40 FIGB C[C@]12CC[C@H]3[C](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 1560407578 SRAQEJLIHBKSSM-LBCSOOOPSA-N 364.303 4.419 50 40 FIGB O=C(N/N=C/c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 3897558 KUZHHCABIKYWNH-RGVLZGJSSA-N 361.283 4.116 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC#N 5155504 DNFFEHUGOZBBFK-LFIBNONCSA-N 371.396 4.177 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(O)c1 408797507 RYXYWLILRHMZIP-XNTDXEJSSA-N 369.852 4.437 50 40 FIGB O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(-c2cccc(F)c2)o1 409012276 PYTVVNCYIPMMIJ-JJFYIABZSA-N 372.783 4.268 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408961174 BDVJRTGOFKBZEV-YDZHTSKRSA-N 363.383 4.316 50 40 FIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CCC(=O)Nc2ccccc2Cl)C1 84459888 UJKXPMGZUYQULT-CVIUTVQRSA-N 373.884 4.463 50 40 FIGB C/C(=N/NC(=O)c1cncc(Br)c1)c1ccc(C(C)(C)C)cc1 915263 GAXSDIBISXHRJG-MTJSOVHGSA-N 374.282 4.296 50 40 FIGB Cc1cc(C)c2sc(NNC(=O)c3nc4ccccc4s3)nc2c1 4121462 VODQWLPEYXCSBE-UHFFFAOYSA-N 354.460 4.280 50 40 FIGB C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1cccc2ccccc12 16712310 QJQVPPOKCNNLMD-ZVHZXABRSA-N 374.469 4.349 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(OC)c1 35240133 UNYXRPCLZDWBFH-AQTBWJFISA-N 363.461 4.396 50 40 FIGB CC(C)(C)OC(=O)NCCCCCCCCCCSS(C)(=O)=O 44699197 WLAWWPQKFLRMQX-UHFFFAOYSA-N 367.577 4.325 50 40 FIGB in-vitro N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc(Cl)c1 59138001 MVHUEUDHTRUNRQ-SDNWHVSQSA-N 355.825 4.469 50 40 FIGB CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 226762873 JAYUIQQIVHVRFY-SFHVURJKSA-N 372.424 4.309 50 40 FIGB O=C(N/N=C/c1ccc(Sc2cccc3cccnc23)o1)c1ccncc1 712000 QUDHBSZOMHRRAY-YDZHTSKRSA-N 374.425 4.138 50 40 FIGB C/C(=N/NC(=O)c1n[nH]c2c1CCCC2)c1ccc(-c2ccccc2)cc1 1468299 FMKNUSDDCXLDEH-HAHDFKILSA-N 358.445 4.110 50 40 FIGB CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1CC(C)C 4102622 OJKMJTAEFRNSBW-KRWDZBQOSA-N 368.502 4.466 50 40 FIGB CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccc(NC(=O)C2CC2)cc1 4536737 DBOXQYLACZOWPO-JCIZPVLLSA-N 353.466 4.443 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1 6935389 WZFCQCAIFKUFMZ-GHRIWEEISA-N 350.418 4.338 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OC(C)C)cc1 100373221 OSCYQYONPCNWMC-MFOYZWKCSA-N 356.429 4.482 50 40 FIGB O[C](CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 1560405356 MFVXPQGAFSOCMZ-UHFFFAOYSA-N 373.226 4.167 50 40 FIGB BrC[C@H](Br)[C@H](Br)c1ccccc1 1675760 WTSKOLDTABPEPX-DTWKUNHWSA-N 356.883 4.281 50 40 FIGB O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccccc3Cl)o2)c1 4501971 WHDJIOJADYIXCV-NHDPSOOVSA-N 368.776 4.062 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 20246965 XKOYEQAAOVZOJY-LPYMAVHISA-N 368.502 4.252 50 40 FIGB CSC(CC(=C(C#N)C#N)c1ccc(Br)cc1)=C(C#N)C#N 100955291 IKUCXGPLUMAPRC-UHFFFAOYSA-N 369.247 4.304 50 40 FIGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(Cl)ccc2OC)cc1 216067906 STDOOVUFHGHHGO-FYJGNVAPSA-N 360.841 4.291 50 40 FIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)C#N)C1 503976332 RTAURWUNGUYMPA-GADKELDLSA-N 359.510 4.215 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(F)F 5069358 JEORCJYFTLVAAH-NTEUORMPSA-N 358.344 4.151 50 40 FIGB N#C/C(=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 5728914 ZUFBDDKREMGKSD-UVTDQMKNSA-N 354.841 4.086 50 40 FIGB Cc1ccsc1/C=N/NC(=O)c1ccccc1NC(=O)c1cccs1 5943249 CRRWHOLXYDLPSI-YBFXNURJSA-N 369.471 4.134 50 40 FIGB Cc1ccc(C)c([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c1 6044306 KZHVJDXDCJZXAX-OAQYLSRUSA-N 370.456 4.003 50 40 FIGB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1 13601898 XCBSJBLJPGQYOF-YVLHZVERSA-N 352.394 4.117 50 40 FIGB Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc(C(=O)O)cc3)[nH]c2c1 33730779 SKYSXAFULZQFPL-VBKFSLOCSA-N 368.396 4.424 50 40 FIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 59473642 GWMSPXPUEMMPNC-DZUMZMOTSA-N 362.882 4.370 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)N1CCN(c2ccc(F)cc2)CC1 72777280 PCMGRZMPFFQIQZ-QGZVFWFLSA-N 368.543 4.188 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1cccc2ccccc12 408589366 LMMQGCGRWHHHRT-MFKUBSTISA-N 368.440 4.406 50 40 FIGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)c(C)cc2nc1Cl 883066 XRYWONZQXKFVCT-SFHVURJKSA-N 367.836 4.176 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/C2=Cc3ccccc3O[C@@H]2C)cc1 912132 SCZFABYPSLWMKI-IYSPOMMRSA-N 351.427 4.041 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(OCC)c1 17074899 IMDRLZFTHLPGQD-UEIJICEPSA-N 364.445 4.268 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CCCN2CCCC[C@H]12 85876054 WUXOMLJRVBXHKV-GVDBMIGSSA-N 356.601 4.081 50 40 FIGB biogenic COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC(C)C 211204840 GNPRFHSPWMUCNE-BOPFTXTBSA-N 350.418 4.337 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC 2768548 UAQMQVGXNPRIFN-CPNJWEJPSA-N 364.445 4.097 50 40 FIGB C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(C)cc1 4879265 NELURBVXTGWQHL-DEDYPNTBSA-N 355.488 4.237 50 40 FIGB C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(Br)cc1 5382042 HQTWRCOMNRSORC-VCHYOVAHSA-N 351.631 4.257 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 6085357 IFORUDUHQKNUOH-CIAFOILYSA-N 354.793 4.373 50 40 FIGB COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)c1 6685750 KCMBYJFSQOETMA-HYARGMPZSA-N 354.450 4.155 50 40 FIGB N#Cc1ccccc1COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1 8812341 IYXZMGMMPVDADQ-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(N)cc1 33097011 JEOHFEFNLMONGD-PCLIKHOPSA-N 370.456 4.307 50 40 FIGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1Br)c1nc2ccccc2[nH]1 33740335 NLQVIRRRGYLDMM-XFFZJAGNSA-N 369.178 4.298 50 40 FIGB O=C(c1c(Cl)cccc1Cl)[C@@H](Br)CBr 306924378 JDSUVVFPKQCMLA-YFKPBYRVSA-N 360.860 4.335 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1 408718583 CZIKVQJXUBTCEV-ZVHZXABRSA-N 355.441 4.279 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1O 408798349 WGRLMUHBEKSHCC-WOJGMQOQSA-N 362.429 4.292 50 40 FIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1C 12859398 QLCWAVSLLIJVMB-ZVBGSRNCSA-N 365.260 4.448 50 40 FIGB Cn1cccc1CC(=O)N/N=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 32576896 WXFIVJWWGCIRDC-UCQKPKSFSA-N 369.509 4.019 50 40 FIGB CCc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 33709589 MQXGARNKCYMQCT-YBFXNURJSA-N 353.403 4.136 50 40 FIGB N#C/C(=C/c1ccc(O)c(I)c1)c1ccccc1F 33769861 GXXPGAJLVCWCJV-XFFZJAGNSA-N 365.145 4.200 50 40 FIGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 408728198 WKDJMZXPYJDSRW-HMHKGCENSA-N 361.898 4.037 50 40 FIGB COc1cc(Cl)c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 408807891 PCDWOODOOAVZSA-WFSQQTBHSA-N 370.836 4.142 50 40 FIGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(N)=O 408885763 AJQNMPNFRXAUEQ-LFIBNONCSA-N 362.816 4.464 50 40 FIGB COc1cc(C)c(/C=N/NC(=O)COc2ccccc2Cl)cc1C(C)C 408916591 YFUOQQORXBKTER-SSDVNMTOSA-N 374.868 4.310 50 40 FIGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCCCc1ccccc1 409236346 FCHAXALEQFNMIG-QGOAFFKASA-N 368.864 4.395 50 40 FIGB CC/C(Cc1ccccc1)=N\NC(=O)CSc1nc2ccccc2o1 6586292 RNKRSWQTJIOJGE-RCCKNPSSSA-N 353.447 4.045 50 40 FIGB COc1cccc(C(=O)N/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1 208439828 LKIIHLGEJNDHSR-OEAKJJBVSA-N 363.461 4.091 50 40 FIGB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CCl 4218982 NADKLCXJMMWRRK-JJRVBVJISA-N 351.874 4.482 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 4713834 HWTYPXSZJCTICB-DEDYPNTBSA-N 362.882 4.122 50 40 FIGB CCCCCCCCCSC(=S)N(C)NC(=O)c1ccccn1 104209049 KTUHGLRKVYGWMH-UHFFFAOYSA-N 353.557 4.427 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 101969785 PZSOHXZEVWKQBQ-ZMOGYAJESA-N 371.440 4.074 50 40 FIGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(Cl)c(Cl)c2)cc1 4016215 VWLZCUXJTZABJV-HMASQMOLSA-N 350.249 4.253 50 40 FIGB O=C(NNC1c2ccccc2-c2ccccc21)c1ccc2ccccc2n1 40007488 VWXBSYOOZHPUCR-UHFFFAOYSA-N 351.409 4.239 50 40 FIGB N#CCOc1ccccc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1 5777312 DVNBONTXQUVBEW-OYKKKHCWSA-N 369.380 4.252 50 40 FIGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)c(C)c1 5490474 YOVJABNFZFQIOC-KRWDZBQOSA-N 360.392 4.051 50 40 FIGB COc1ccc(OCC(=O)N/N=C(\c2ccccc2)C2CCCCC2)cc1 6490673 MMIIWLBDXPITMQ-ZNTNEXAZSA-N 366.461 4.175 50 40 FIGB O=C(N/N=C/c1sc2ccccc2c1O)c1sc2ccccc2c1O 704088 AGZJXIYTFXFWNE-DJKKODMXSA-N 368.439 4.291 50 40 FIGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 849966 IEVJHICKSXSCFU-NRFANRHFSA-N 370.456 4.270 50 40 FIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(Cn2cccn2)c1 1081696 MAOHEQGIECVRDU-SRZZPIQSSA-N 373.243 4.002 50 40 FIGB CCOC(=O)c1c(NC(=O)CCCl)sc(C)c1-c1ccccc1 1906314 GOUAWPJRZXFRAN-UHFFFAOYSA-N 351.855 4.468 50 40 FIGB CC/C(=N\NC(=O)c1cc(C)oc1C)c1cc(Cl)cc(Cl)c1O 57911263 NQJIXTWZQMFGFS-XMHGGMMESA-N 355.221 4.453 50 40 FIGB O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)C(Cl)Cl 60017031 LOMWRCKHKZGDDE-UHFFFAOYSA-N 362.216 4.070 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)cc1 96469219 PCNYXDOYFDWWHR-LGMDPLHJSA-N 371.396 4.030 50 40 FIGB O=C(CSCc1cccc(Br)c1)NN=C1CCCCC1 831057 KEEKWUDSHMQMHT-UHFFFAOYSA-N 355.301 4.119 50 40 FIGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 59133338 UYQGCZYEWKUSRZ-VKAVYKQESA-N 350.418 4.420 50 40 FIGB O=C(NCCCl)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442871 HSHSPNGKZRPTDL-UHFFFAOYSA-N 355.829 4.167 50 40 FIGB N#C/C(=C\N1CCN(c2ccc(F)cc2)CC1)c1nc2ccccc2s1 1447978 RLTOIBIXSLFJJN-CCEZHUSRSA-N 364.449 4.122 50 40 FIGB N#C/C(=C/n1c(S)nc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 1637362 XHOWHPBOPSZFOH-LUAWRHEFSA-N 356.794 4.408 50 40 FIGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 2022292 RUXDECGPQUKIBN-UHFFFAOYSA-N 359.212 4.221 50 40 FIGB Cc1cc(Oc2cc(NNC=O)nc(-c3ccccc3)n2)cc(C(C)C)c1 2182895 UMPDWVASMNHQLL-UHFFFAOYSA-N 362.433 4.441 50 40 FIGB O=C(NNC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1 2442737 XLCMYPMPIXGEPO-UHFFFAOYSA-N 363.801 4.160 50 40 FIGB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](Cl)c1ccccc1 3885293 XBLOKEAHWJHVOD-CYBMUJFWSA-N 369.602 4.276 50 40 FIGB N#Cc1cccc(COc2ccccc2/C=N/NC(=O)c2ccc(F)cc2)c1 8812288 ZDZLFWFMHHSTNE-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB CN(C)CCCN1C(c2ccccc2)=CC(=C(C#N)C#N)[C@H]2CCCC[C@H]21 96346824 WYAQOAGKCYOUFC-IFMALSPDSA-N 360.505 4.197 50 40 FIGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408813618 UUQWRNLEPBFECP-GXDHUFHOSA-N 356.809 4.293 50 40 FIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2OC(C)C)n1 409388804 WKYOIJIEESAJGX-VCHYOVAHSA-N 367.449 4.322 50 40 FIGB CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 806519 QYZPALOOTYVTEI-LBPRGKRZSA-N 363.248 4.232 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)cc1C 34862087 WZKJNGITNHIDCQ-ATVHPVEESA-N 354.413 4.327 50 40 FIGB N#CC1=CN(c2ccc(C(F)(F)F)cc2)c2cc(F)ccc2S1(=O)=O 44167143 GGVYSCDJTKVGNI-UHFFFAOYSA-N 368.311 4.135 50 40 FIGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc2ccccc12 6286634 CGAUJJGVLRKXTM-BRJLIKDPSA-N 371.362 4.421 50 40 FIGB N#CC(C#N)=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 1320708 FSFHHHAAXNPJEZ-UHFFFAOYSA-N 354.196 4.341 50 40 FIGB COc1ccccc1[P@@](=O)(Cc1ccccc1[N+](=O)[O-])c1ccccc1 38141378 RNVBVCNRIWAIMB-AREMUKBSSA-N 367.341 4.118 50 40 FIGB O=C(CCl)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 100406846 MOWUIEGIHKBFBV-CJLVFECKSA-N 352.743 4.238 50 40 FIGB C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC 408569478 OCWRWUVYSWWNMC-GDNBJRDFSA-N 361.376 4.177 50 40 FIGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408812526 NCXDKJQZYQIHGC-GXDHUFHOSA-N 356.809 4.380 50 40 FIGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 1423199 XIVJMSMONMTHHY-QGZVFWFLSA-N 360.244 4.278 50 40 FIGB O=C(CP(=O)(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 2289630 CVMONXMWBPKWKG-UHFFFAOYSA-N 369.788 4.293 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl 5698324 WIBRFCPGOBULHB-MDWZMJQESA-N 371.780 4.111 50 40 FIGB Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)cc1 5728605 FKOBZWOSXCKYDQ-QUYZQLMHSA-N 356.429 4.170 50 40 FIGB Cc1ccc(CSCC(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1 59473064 NMWOBQORYWTCIO-LSHDLFTRSA-N 366.408 4.397 50 40 FIGB FC(F)(F)C(F)(CCCCI)C(F)(F)F 66325892 AMVCCXPQNKKJDX-UHFFFAOYSA-N 352.031 4.425 50 40 FIGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)c3cccs3)cc21 208458880 LFTATRMRVPYBPS-MTJSOVHGSA-N 353.491 4.452 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1 408774689 XQVSYQONGSMBGY-SDXDJHTJSA-N 362.477 4.144 50 40 FIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1F 408869490 SITGHLCKTRFGJW-GXDHUFHOSA-N 354.768 4.037 50 40 FIGB CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 4812603 OGQSLGSHRDHDMK-NSHDSACASA-N 363.248 4.232 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCCC1 16438045 SGTLLTOCFSDYIA-FMIVXFBMSA-N 371.780 4.038 50 40 FIGB O=C(N/N=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1)c1cccnc1 199418338 ISVLGGUPTHBQAT-XIEYBQDHSA-N 369.346 4.283 50 40 FIGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408742394 ORSATOBBSAPZLP-ZROIWOOFSA-N 356.809 4.293 50 40 FIGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)NC(C)C)c3ccccc32)cc1 408776732 QUJOQGYBGZGTDG-UNOMPAQXSA-N 357.457 4.430 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OC 409085520 ZRXCZNSKSTXCHO-QGOAFFKASA-N 362.429 4.368 50 40 FIGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)C#N)C1 503976331 RTAURWUNGUYMPA-FMZMDBCBSA-N 359.510 4.215 50 40 FIGB Cc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 4922550 PZEAWJWBZYODLY-SFHVURJKSA-N 361.470 4.215 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OC 409079608 LEARRQQELHOSJS-LDADJPATSA-N 362.429 4.286 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)CCSc2ccc(C)cc2)cc1 409130637 WYJLVCHPSJXZSU-LTGZKZEYSA-N 356.491 4.416 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccccc1Cl 718532 XPZOVZJUAFPNKZ-ZDUSSCGKSA-N 354.822 4.010 50 40 FIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 59401520 INBOEAUIGOFNQA-DNTJNYDQSA-N 371.702 4.031 50 40 FIGB Cc1nc2ccc(Br)cc2c2c1C[C@H](CBr)O2 4551824 UPVIUVCOQWTCOP-SECBINFHSA-N 357.045 4.004 50 40 FIGB CCCCc1ccc(NC(=S)NNC(=O)c2ccccc2Cl)cc1 5274170 LVNIIIGQNKMZEN-UHFFFAOYSA-N 361.898 4.314 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1O 7158293 LKYJJCUBEYYRNZ-LLOPKGDWSA-N 362.857 4.046 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1O 408791757 BZPDFPFUGPUXOB-OQLLNIDSSA-N 368.820 4.328 50 40 FIGB CN(C)c1ccc(/C=C/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408967552 QVLBZIKBBQQBDP-ZBCJQLTRSA-N 361.367 4.200 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCc3ccccc3)c2C)cc1 409119069 QLBVDCHKLGTAGY-LFVJCYFKSA-N 359.473 4.485 50 40 FIGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)N1CCCC1 409372812 QWMKTFXGUKMTGK-XMHGGMMESA-N 355.441 4.219 50 40 FIGB O=C(Cl)c1ccccc1C(=O)OC(F)(F)c1ccc(F)c(F)c1F 231460677 MQUVUTDMTNEOPU-UHFFFAOYSA-N 364.653 4.389 50 40 FIGB in-vitro N#C/C(=C/C=C/c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 2380756 HIYMGMBQJUURQT-GUSDSWBTSA-N 374.259 4.344 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1O 7158517 CHEAJYVUAFKTOG-RIYZIHGNSA-N 356.809 4.298 50 40 FIGB CCCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC 101730712 HYOLUWVUDVOCJX-VZUCSPMQSA-N 357.362 4.011 50 40 FIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 214073878 IBLZKTOTNDCBBS-AQTBWJFISA-N 362.429 4.368 50 40 FIGB CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1O 408567349 MACKXXAEWWWMHE-CHHVJCJISA-N 369.218 4.489 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1cccc(Cl)c1 408592477 YKKNDKFNLVESKT-FSJBWODESA-N 366.852 4.094 50 40 FIGB N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)NCCCc1ccccc1 409232849 SNSIRAXQFCKPMZ-ATVHPVEESA-N 358.363 4.361 50 40 FIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(F)F 3320432 JNYOLPMTVOGTNJ-SDNWHVSQSA-N 358.344 4.232 50 40 FIGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4[C@@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118914919 XNFPSGMHGPKVAT-GVOCKNCGSA-N 369.343 4.333 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 3067233 GBLXBINMXMSHOY-UDWIEESQSA-N 362.882 4.371 50 40 FIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c1C 30843188 AALULOVIZCNYBV-UKWGHVSLSA-N 351.233 4.139 50 40 FIGB CCC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 4667739 LXUBQMOICQEEDW-SFHVURJKSA-N 374.893 4.337 50 40 FIGB Cc1ccsc1/C=N/NC(=O)COc1ccccc1-c1ccccc1 4724010 KHMVVCCWXNYCAJ-FYJGNVAPSA-N 350.443 4.253 50 40 FIGB O=C(N/N=C/c1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1 107985118 BOEFEKKWJMUJFM-GIJQJNRQSA-N 359.794 4.227 50 40 FIGB COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 206191807 JALYBXQEWKHNSI-RAXLEYEMSA-N 357.207 4.003 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)cs1)c1ccccc1 206853996 GSMZSWXPTDJTHE-HKMIMPICSA-N 361.264 4.295 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 211487033 GKQZTHJYXFRNCW-ZROIWOOFSA-N 371.234 4.312 50 40 FIGB O=C(c1cc(Cl)cc(Cl)c1)[C@@H](Br)CBr 307526785 IVUFFUDDJDOFCP-QMMMGPOBSA-N 360.860 4.335 50 40 FIGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1 408532645 QPSKJLKRCJZQGG-ZVHZXABRSA-N 363.383 4.275 50 40 FIGB Cc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)c(C)n1-c1ccccc1 6583949 VNXZUJYVCGTDLF-ZMOGYAJESA-N 356.429 4.339 50 40 FIGB CC(/C=C/c1ccccc1F)=N\NC(=O)c1cccc(Br)c1 14923584 WNKYWOBCOQDCQD-IIASEUIPSA-N 361.214 4.407 50 40 FIGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccs3)c2C)cc1 408760844 AIEZIUVLNFGPPJ-BKUYFWCQSA-N 351.475 4.482 50 40 FIGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(-c3nc4ccccc4s3)cc2)C1 45958802 CQEKBGFDZTTXBU-GFCCVEGCSA-N 356.834 4.082 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c1OC(C)C 44028717 YJKGMKPKADMYSM-CXUHLZMHSA-N 365.385 4.001 50 40 FIGB N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)NC1CCCCC1 96444287 SWSOPNCRJVUADU-OWBHPGMISA-N 364.401 4.001 50 40 FIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NC1CCCCC1 1407051 CEEPTOJVUGELCF-NTCAYCPXSA-N 365.389 4.211 50 40 FIGB Cc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 2313669 CIHZGOQVEJDBLF-BUVRLJJBSA-N 366.424 4.369 50 40 FIGB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C(C#N)=C\c1ccccc1 6795031 YLRGHOAYHJLWTF-VXOSNKMYSA-N 369.461 4.141 50 40 FIGB Cn1nccc1/C=C(\C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 17072785 IKOPYUCKEPSNAG-FRKPEAEDSA-N 350.491 4.409 50 40 FIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccnc3)c2C)cc1 24430266 UIJLUIQTXKYWHH-LDADJPATSA-N 372.428 4.043 50 40 FIGB O=C(Cl)[C@@H]1CC(=O)N(c2ccccc2-c2nc3ccccc3s2)C1 45886939 IKDGNLZGCODFGL-LLVKDONJSA-N 356.834 4.082 50 40 FIGB Cc1ccc(CC(=O)N/N=C\c2ccc(OC(C)C)cc2OC(C)C)cc1 409363129 LBKVEIQZSXEZRJ-UCQKPKSFSA-N 368.477 4.262 50 40 FIGB Cc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)c1 2172579 BKXQNFXEAWFQFH-JEBQAFNWSA-N 364.283 4.092 50 40 FIGB CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=N/NC(N)=O)cc1 4675865 ARQADEGSZFWIKM-PFRBSUFTSA-N 369.465 4.050 50 40 FIGB COc1cc(Br)c(/C=C(\C#N)C(=O)c2ccccc2)cc1OC 7058683 FHHLUGJQXYECPI-RIYZIHGNSA-N 372.218 4.256 50 40 FIGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)OCC)o2)cc1 15009027 IKNWGGMEEKSGHG-GHRIWEEISA-N 367.401 4.374 50 40 FIGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 20764017 KVKUFZYNIRFZOV-LPYMAVHISA-N 352.365 4.248 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)o2)cc1 35112388 GDWYAPNLRQYKLP-SQFISAMPSA-N 353.422 4.070 50 40 FIGB ClCCN(CCCl)c1ccc(C[n+]2cccc3ccccc32)cc1 1730412 USYJSDWRBZHHKU-UHFFFAOYSA-N 360.308 4.460 50 40 FIGB O=[N+]([O-])c1cccc(COP(=O)(c2ccccc2)c2ccccc2)c1 3117886 SIYSISHEYMWVMA-UHFFFAOYSA-N 353.314 4.041 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(OCC)c1O 408799915 JHMWSENMZZOXCG-LFIBNONCSA-N 366.392 4.204 50 40 FIGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](Br)C2=O 38544022 CWVMWSZEMZOUPC-URTJIJAPSA-N 369.343 4.333 50 40 FIGB O=C(N/N=C/C=C\c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 86012851 CQKVIVCEZLEEOR-SSGMVDMOSA-N 374.488 4.307 50 40 FIGB Cc1cc(Cl)nc(N/C=C(\C#N)C(=O)c2cc(C(C)(C)C)oc2C)n1 96307516 HZWCMVQJAGIXET-FMIVXFBMSA-N 358.829 4.340 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2)cc1 1433479 YFCMVSCBNWEYSN-HAVVHWLPSA-N 367.493 4.014 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 59116972 XESNOYPSOGVDNP-UVTDQMKNSA-N 356.809 4.293 50 40 FIGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 985586 SATSOERQBNJPGV-MRXNPFEDSA-N 362.820 4.257 50 40 FIGB Cc1cc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4n3C)c2C)no1 12734398 JMWKXPGWOZEQCN-GZTJUZNOSA-N 357.417 4.341 50 40 FIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 408815191 QOCVZWHVYQWYEP-GXDHUFHOSA-N 371.234 4.312 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OC(C)C)c1 408816944 SQGIXBFXOMTUGU-GZTJUZNOSA-N 350.418 4.337 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 14151982 QTKGXILSFQLPAB-NTEUORMPSA-N 363.442 4.053 50 40 FIGB Cc1ccnc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c1 6045003 SPBWIZNOTPRRDG-PDGQHHTCSA-N 372.428 4.049 50 40 FIGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)[C@](C#N)(c3ccccc3)[C@@H](C#N)[C@@H]2C1 4631316 YOIGSSDLAWGEHW-KZHMMYNISA-N 356.473 4.336 50 40 FIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1ccc(-n2cccc2)cc1 408959738 DYYTXLGNBBZGPX-ULJHMMPZSA-N 372.472 4.150 50 40 FIGB C/C(=N\NC(=O)c1sc(N)nc1C)c1cc2c(ccc3ccccc32)o1 98054430 DEWWOAMUVMOYJH-LSHDLFTRSA-N 364.430 4.087 50 40 FIGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC#N 4540534 IDHNQYJGCYODRM-WJDWOHSUSA-N 358.401 4.237 50 40 FIGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCCl 1940190 ZSRATXVTAIRFNC-UHFFFAOYSA-N 351.855 4.468 50 40 FIGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Cl)cc1 408744404 FJCAGAYJELVTGI-XFFZJAGNSA-N 362.172 4.447 50 40 FIGB COC(=O)COc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1 408526158 AQSKBCGEOIBWKX-GDNBJRDFSA-N 372.218 4.065 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccccc1O 100926535 XYLWSGVBVVIDCV-UCQKPKSFSA-N 370.412 4.090 50 40 FIGB CCOc1ccc([C@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)cc1OCC 1308736 QMSJQPDJILEWOY-GOSISDBHSA-N 367.449 4.115 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 20248969 RNKYGUDLAFDBMM-WASCAKKMSA-N 356.491 4.247 50 40 FIGB CCCCCCCCCCCC(=O)NNc1[nH]nc(C)c1C(=O)OCC 8426444 VCWYTUDIFKHRNS-UHFFFAOYSA-N 366.506 4.259 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 96669649 VENQGYYOWZPKDC-CYVLTUHYSA-N 370.456 4.315 50 40 FIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 408802217 XSDOJDFDPNJWEN-LFIBNONCSA-N 350.805 4.206 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC 211326748 CFJQQISGDDELAZ-CXDFQFJYSA-N 364.445 4.268 50 40 FIGB O=C(CCl)Nc1cc(-c2nc3ccccc3o2)ccc1Br 226328399 LYCXQNNGQMQZNE-UHFFFAOYSA-N 365.614 4.435 50 40 FIGB Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1ccccc1 1431109 TYBWHLXGQCOHOD-HZHRSRAPSA-N 357.413 4.011 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(C)C)cc1 6827325 XURKIQVBVNINHV-SFQUDFHCSA-N 350.418 4.276 50 40 FIGB CO[C@H](C(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1 2756934 MXKXAVIUAKBWTA-OLCUMFGGSA-N 374.440 4.103 50 40 FIGB O=C(CCCCl)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 3052127 QLQGKXXJWSSGSU-UHFFFAOYSA-N 373.667 4.161 50 40 FIGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccc(C(=O)O)cc1 408542315 KOCBACMSOUJMJQ-GZTJUZNOSA-N 359.337 4.407 50 40 FIGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)cc1 6888053 YMSBPGLREMMWTR-ATVHPVEESA-N 350.418 4.289 50 40 FIGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccccc2Cl)c1C 6930830 XMXKRWCJULZDCN-NTEUORMPSA-N 356.809 4.252 50 40 FIGB O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CCCN2CCCC[C@H]12 85876060 WUXOMLJRVBXHKV-YESZJQIVSA-N 356.601 4.081 50 40 FIGB biogenic O=C(CCBr)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2581845 JJWRZHWMAVBMMC-UHFFFAOYSA-N 364.083 4.448 50 40 FIGB C[C@@H](Cl)[C@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4844005 CPVUBAGICXSIAV-ABAIWWIYSA-N 350.827 4.322 50 40 FIGB Cc1ccsc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 14152231 VURJIGRTOUHBOX-XYOKQWHBSA-N 353.472 4.414 50 40 FIGB O=C(N/N=C\c1ccccc1Br)c1cc2ccccc2cc1O 33370642 RGVOIDFXTVJHIG-JAIQZWGSSA-N 369.218 4.072 50 40 FIGB O=C(COc1ccccc1-c1ccccc1)N/N=C1/CCc2ccccc21 34107400 VMEULWXSEWTWEI-FLFQWRMESA-N 356.425 4.199 50 40 FIGB NC(=O)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 59384096 KREHCWFUYQDTMA-SSDVNMTOSA-N 353.809 4.074 50 40 FIGB C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)c1O 1095737 LWSBYHFTQWCYCQ-DTVDJLOLSA-N 373.456 4.225 50 40 FIGB C#Cc1cccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)c1 2561316 WSYUBQQWEHOJRL-UHFFFAOYSA-N 361.406 4.379 50 40 FIGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccncc1 5620827 ASBHJFIJMWTYNK-CIAFOILYSA-N 366.248 4.088 50 40 FIGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccccc3)o2)c1 5772527 IETJZHIIWJJMKF-NHDPSOOVSA-N 368.776 4.062 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1OC(F)F 7157909 XXFMLCQKHOGWSZ-XNTDXEJSSA-N 372.371 4.459 50 40 FIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408991068 YXYRNEYNQJHQKR-WJDWOHSUSA-N 350.805 4.206 50 40 FIGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 409246849 FIFNLGGFYNLYSZ-CFRMEGHHSA-N 367.399 4.065 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OC(C)C 7894259 POAZPKQJVCJHCI-UFFVCSGVSA-N 364.804 4.039 50 40 FIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl 3151380 ONFNCMHPIKSNCM-UFWORHAWSA-N 357.624 4.176 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)o1 868701 ADWANYDFZVKSPU-RGVLZGJSSA-N 364.430 4.061 50 40 FIGB FC(F)(F)c1cccc2c1[C@H]1O[C@H]2[C@H](Br)[C@H]1Br 261491076 XEKDFSULVJVFFF-ZYUZMQFOSA-N 371.978 4.358 50 40 FIGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1 408877106 STPSGYYPBWMMFO-RIYZIHGNSA-N 371.234 4.393 50 40 FIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 873374 YMLRGISQKAFSLQ-GOSISDBHSA-N 350.462 4.435 50 40 FIGB Cc1cc(-c2n[nH]c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)c(C)s1 5130241 JBRJMRWQSAPTPT-CYBMUJFWSA-N 354.460 4.035 50 40 FIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CSc1ccc(Cl)cc1 7993677 DOUCUTGTFDFBMD-KEBDBYFISA-N 357.866 4.372 50 40 FIGB CC(C)(C)OC(=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12924344 XYHMAGSUJLKTNN-INIZCTEOSA-N 358.463 4.076 50 40 FIGB CC(C)[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(F)cc2s1 20133361 XVIOLWTZBKGFEM-SECBINFHSA-N 365.655 4.447 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(OC)c1 40139937 FRMTYLDUDPOLGV-WLRTZDKTSA-N 350.349 4.114 50 40 FIGB Cc1ccccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408568506 JYVLYUPBTDTJOF-UDWIEESQSA-N 372.515 4.003 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c(OC)c1 408802754 GZESIKCLPUSQHG-NTEUORMPSA-N 356.809 4.211 50 40 FIGB COc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 408852053 HIJYQEFGNCUPRN-BKUYFWCQSA-N 368.824 4.295 50 40 FIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1-n1cccc1 409107563 SFAOSQYSALIQPH-HYARGMPZSA-N 367.836 4.293 50 40 FIGB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CCCCl 2620814 QMVBUWJJBGKAMO-UHFFFAOYSA-N 355.843 4.451 50 40 FIGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)c1 2502376 IXJUELOQZXGJFU-HXUWFJFHSA-N 358.397 4.075 50 40 FIGB Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F 28217509 CKZNTVCXWANTJF-LPYMAVHISA-N 350.397 4.389 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCC#N)c3ccccc23)cc1 5543383 IAJXHLKPWQKXPG-SSZFMOIBSA-N 370.412 4.109 50 40 FIGB COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1O 409370923 VLCSIDDXCVZDFI-NSIKDUERSA-N 355.191 4.099 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C 409064399 PIBWIMWQEFXVID-OQLLNIDSSA-N 358.825 4.226 50 40 FIGB O=C(NNc1nc(-c2ccc(Cl)cc2)no1)c1cccc2ccccc12 84598273 VNUSZSVQKIYIOR-UHFFFAOYSA-N 364.792 4.300 50 40 FIGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C 408777528 BJKMKXKKKBWCJB-YVLHZVERSA-N 355.869 4.488 50 40 FIGB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4[C@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 253617599 XNFPSGMHGPKVAT-VLBVPLPHSA-N 369.343 4.333 50 40 FIGB CS(=O)(=O)/C(C#N)=C/c1ccc(Oc2ccc(F)cc2)cc1Cl 1775976419 MDHDZQNARGMOBZ-OVCLIPMQSA-N 351.786 4.180 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1cccc(Cl)c1 5739754 QMRNKSVAGCECKB-WSDLNYQXSA-N 367.836 4.217 50 40 FIGB O=C(CCc1c[nH]c2ccccc12)N/N=C/c1c(O)ccc2ccccc12 1422483 SYAJCLREFOHPGP-ZVHZXABRSA-N 357.413 4.110 50 40 FIGB CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1085504 SPRIXULGMKWCOL-NWGMWSOJSA-N 369.421 4.028 50 40 FIGB N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 1320720 AGBKIBAYLKZSQJ-UHFFFAOYSA-N 354.196 4.341 50 40 FIGB Cc1cc(C(=O)N/N=C/c2c(-c3ccccc3)nc3sccn23)c(C)o1 3167273 BAWUGYRVKJHGLD-RGVLZGJSSA-N 364.430 4.037 50 40 FIGB CC(C)CCN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 4864960 ZRRNJXRFTRREAC-SILNSSARSA-N 356.429 4.390 50 40 FIGB Cc1sc2nc(/C(C#N)=C/c3ccccc3OC(F)F)[nH]c(=O)c2c1C 5071214 NEQCUWTZOAOJNA-KPKJPENVSA-N 373.384 4.267 50 40 FIGB N#C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2[nH]1 7675626 HVKMCVMULLBGCJ-MDWZMJQESA-N 351.793 4.442 50 40 FIGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccc(C)cc2C)cc1 36136799 XQGWMTUNZKOHFT-HMAPJEAMSA-N 362.433 4.258 50 40 FIGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccccc1F 409250140 PUKBJXXAJUFTAF-CFRMEGHHSA-N 367.399 4.065 50 40 FIGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NCc1ccc(Cl)cc1 5523868 ISCDKEXBSRYUMC-NTEUORMPSA-N 362.763 4.165 50 40 FIGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409365289 QLRYOCCWDHUPFW-FOKLQQMPSA-N 371.799 4.301 50 40 FIGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC(=O)O 409389435 BALDLSBUVHUKCR-ACAGNQJTSA-N 361.756 4.015 50 40 FIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1OCC 831184 LEEXJNXWYIGJJS-HFITWMCCSA-N 372.490 4.115 50 40 FIGB N#C/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(Br)cc1 5904242 HZWCWDOSUJKERL-XFXZXTDPSA-N 366.218 4.476 50 40 FIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)c1 28217583 BXPSRPYVQZVBKY-BUVRLJJBSA-N 359.473 4.404 50 40 FIGB O=C(N/N=C\c1ccncc1)c1sc2cc(Cl)ccc2c1Cl 33323101 ZZOWIVSAANMEQU-UWVJOHFNSA-N 350.230 4.367 50 40 FIGB COc1ccccc1NC(=O)C(=O)NN=C1CCCCCCCCCCC1 59515771 WIGXYPYVWUYYEP-UHFFFAOYSA-N 373.497 4.411 50 40 FIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)n1 408977393 IQYDRNQDVVKHST-DEDYPNTBSA-N 357.413 4.326 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1OC(C)C 409266050 VYQBVKDYOGGDJU-LPYMAVHISA-N 370.449 4.034 50 40 FIGB Cc1cc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)n(-c2ccccc2)n1 3222230 DLXWPFVHASBBEN-FOWTUZBSSA-N 362.820 4.380 50 40 FIGB C[C@H]1CCCCN1C(=S)SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101848227 WHLBNMYWBVRRBD-OFEBGVABSA-N 372.519 4.248 50 40 FIGB CCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OCC 1780489 PQRKIZGJINRIQX-WUXMJOGZSA-N 357.362 4.011 50 40 FIGB O=C(O)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 2319550 YOCSAZXJQYNTHO-WSDLNYQXSA-N 358.353 4.048 50 40 FIGB COc1cccc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)c1OC 3230003 JJINIHXCTMNGQD-INIZCTEOSA-N 364.426 4.137 50 40 FIGB O=C(NNc1nc2ccc(Cl)cc2s1)c1nc2ccccc2s1 4121419 AGPHOMTWYGFTTM-UHFFFAOYSA-N 360.851 4.316 50 40 FIGB N#C/C(=C\n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1 6257524 CTXPJMHLFCZYMB-PKNBQFBNSA-N 367.346 4.037 50 40 FIGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3cccnc3)c3ccccc32)cc1 6814222 JUWOTDDSDWSZMM-AFUMVMLFSA-N 368.440 4.157 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(Cl)c1 8043178 YUAHADKQSUBCCG-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB CCCn1cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)c2ccccc21 10315747 NMBUHMNLCKHAST-HZHRSRAPSA-N 363.461 4.143 50 40 FIGB CC(C)[C@@H]1C[C@H](CBr)O[C@@]12O[C@@H](c1ccccc1)[C@H](C)N2C 43808041 HGSSIETWJAFVCE-KTQBOKQISA-N 368.315 4.188 50 40 FIGB C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2n1C 96222328 WKWIVURMNPHYGU-UONOGXRCSA-N 363.552 4.465 50 40 FIGB biogenic Cc1ccc(C(C)C)c2oc(=O)c3c(c12)OC(N)=C(C#N)[C@H]3c1ccccc1 104766025 OTJRBMRBZVOOOS-GOSISDBHSA-N 372.424 4.443 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccccn3)cc2[C@H](C)CC1(C)C 208322246 RKYXSDFUBJKRIM-HUSFYUSLSA-N 364.493 4.266 50 40 FIGB Cc1cccc(OCc2ccc(C(=O)N/N=C/c3ccc(F)s3)o2)c1 252509164 YDVAWPNQTVSKLD-KEBDBYFISA-N 358.394 4.132 50 40 FIGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1 408529950 KOUCYWJFEVIIEZ-OEAKJJBVSA-N 362.429 4.156 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2C)cc1 408548824 LRTHEINSLVJUSB-BOPFTXTBSA-N 350.418 4.120 50 40 FIGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)NCCCc1ccccc1 409244042 WQLUYGSBSURDSQ-JZJYNLBNSA-N 355.441 4.133 50 40 FIGB O=C(CSc1cccc2cccnc12)N/N=C/c1ccc(Cl)cc1 2200170 GIKKMLLXBZUWRG-SRZZPIQSSA-N 355.850 4.131 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409241672 LKUCIOSGWZQHCD-FXBPSFAMSA-N 361.489 4.189 50 40 FIGB C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)c1ccccc1C 4523534 DEIVELSOGGSROL-LFVJCYFKSA-N 359.429 4.283 50 40 FIGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Cl 96021836 WRWVHZAGSQSHFS-UHFFFAOYSA-N 356.559 4.230 50 40 FIGB Cc1cc(C(=O)N/N=C/C2=Cc3ccccc3OC2)c(C)n1-c1ccccc1 84081307 SGWCUVYYIWWRQA-ZVHZXABRSA-N 371.440 4.286 50 40 FIGB COC(=O)N/N=C/c1cn(CCOc2ccc(C)c(C)c2)c2ccccc12 2307154 AZSLHSJVWAAGQR-LPYMAVHISA-N 365.433 4.027 50 40 FIGB O=C(N/N=C/c1cccc2ccccc12)c1ccccc1Br 3150766 PENQWTUMWXVXIE-UDWIEESQSA-N 353.219 4.366 50 40 FIGB CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c1 408934243 DFGJAQMXLSIVIH-LGMDPLHJSA-N 350.418 4.420 50 40 FIGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3)cc2)c1 3212121 FAWNFTZMXVQAPE-HZHRSRAPSA-N 357.413 4.011 50 40 FIGB CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 8916874 HBJBEZHXQRHUSS-HXUWFJFHSA-N 350.418 4.179 50 40 FIGB C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccc(Cl)cc1 19861238 LISTWLRTQQWDLI-JAIQZWGSSA-N 359.838 4.114 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1 40961771 QVPPJYFCBYPWQW-KGENOOAVSA-N 356.491 4.416 50 40 FIGB COc1c(Cl)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Cl 58822748 HJMHHEQZDJXAOZ-UFWORHAWSA-N 357.624 4.419 50 40 FIGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCl 103538730 OHUKFLHYNNTPHN-UHFFFAOYSA-N 362.566 4.345 50 40 FIGB O=C(CCl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3246418 NQICBDPFUAPOJE-UHFFFAOYSA-N 356.731 4.135 50 40 FIGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1cccc(C#N)c1 408565973 CRJBUNGZBGTOHE-LHHJGKSTSA-N 353.175 4.114 50 40 FIGB O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1cccs1 4504704 PJDNDLVPWJMXRE-CIAFOILYSA-N 370.861 4.462 50 40 FIGB C/C(=N\NC(=O)CC1(C)SCCS1)c1ccc(C(C)(C)C)cc1 409257298 PVSLUTHKWIICNA-CPNJWEJPSA-N 350.553 4.411 50 40 FIGB CSc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1 96029399 UBJTWYVXYYGDNQ-UHFFFAOYSA-N 372.309 4.104 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2Br)o1)c1ccccc1 4280941 LFNXZVGBFBUARW-UDWIEESQSA-N 369.218 4.473 50 40 FIGB C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc(Cl)cc1 4608480 WGMHIGUMOXATBX-OEAKJJBVSA-N 351.837 4.446 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(C)cc1 59334766 FYTOYJFPGMDDTC-STZFKDTASA-N 360.457 4.298 50 40 FIGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 59116694 NDPBGDFNBCWFEN-GXDHUFHOSA-N 371.234 4.393 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ccco1 6221998 WZUGOGSTAJIBTQ-GXDHUFHOSA-N 352.777 4.416 50 40 FIGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccc(F)cc1 4922704 VDMZMBMXNDKXGM-QGZVFWFLSA-N 365.433 4.045 50 40 FIGB Oc1ccccc1/C=N/CCSSCC/N=C/c1ccccc1O 17175033 VNEHKTHVSFFQQZ-IWGRKNQJSA-N 360.504 4.017 50 40 FIGB CC(C)c1ccc(OCC(=O)N/N=C/c2c(Cl)[nH]c3ccccc23)cc1 1084729 NWPJLDSQNSYKPD-SSDVNMTOSA-N 369.852 4.474 50 40 FIGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1OC(C)C 1967354 LDAUQARYDRBQHI-LDADJPATSA-N 371.458 4.129 50 40 FIGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccc(Cl)cc1 2674642 SSPRJHZINNMOIX-QDBSGRMGSA-N 351.233 4.219 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2)cc1 6947495 HGOPMMIBEXLDOD-KAMYIIQDSA-N 371.234 4.393 50 40 FIGB N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)Nc1ccccc1Cl 13135333 AOPTYULSZYCIHT-PKNBQFBNSA-N 357.200 4.187 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)OCO2 48261948 WUUSHCXKUPOGNC-UFFVCSGVSA-N 368.776 4.093 50 40 FIGB CO[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 59502265 OBEKMDULQQVROW-ZHNJOBQTSA-N 374.440 4.103 50 40 FIGB C/C(=N\NC(=O)Nc1ccccc1C)c1sc2nc(C)nc(C)c2c1C 98042599 VIDFITROGPMGKV-YDZHTSKRSA-N 367.478 4.471 50 40 FIGB Cc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 100914673 ZSVZSABIPYRXCY-FSPWUOQZSA-N 364.283 4.092 50 40 FIGB O=C(Oc1ccc([N+](=O)[O-])cc1Cl)C1=Cc2cc(Cl)ccc2OC1 102867172 DAUOMSBRAXITSO-UHFFFAOYSA-N 366.156 4.283 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl 408774881 NQOVVILDKRUWAZ-UVTDQMKNSA-N 356.809 4.293 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(SC)cc1 6170177 NLHPSTKLUQNUEL-FYJGNVAPSA-N 350.443 4.334 50 40 FIGB Cc1ccccc1CSCC(=O)N/N=C/c1c(F)cccc1Cl 58915547 SVIFKULFSNGGKI-AWQFTUOYSA-N 350.846 4.171 50 40 FIGB O=C(N/N=C/c1cc(Cl)c2cccnc2c1O)c1cccc(Cl)c1 59459098 YISAOIBRRASKJP-ZVBGSRNCSA-N 360.200 4.011 50 40 FIGB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCBr)cc1 225622519 BHNXMXXSJJLDBA-KRWDZBQOSA-N 372.303 4.384 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] 408864185 SXHRUXRQOWNEMF-NTUHNPAUSA-N 371.780 4.111 50 40 FIGB CN(C)c1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 2253695 GJKVZSFOCNGVEQ-BMRADRMJSA-N 356.429 4.089 50 40 FIGB CN(C)CCCN1C(c2ccccc2)=CC(=C(C#N)C#N)C2=C1CCCC2 32657301 DRJMQGFFDGEZHG-UHFFFAOYSA-N 358.489 4.467 50 40 FIGB FC(F)(F)c1cc(I)ccc1CBr 114422980 JWVNZBYMFPHJMY-UHFFFAOYSA-N 364.930 4.205 50 40 FIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Nc2ccccc2)o1 4544536 PDNCRBALYAZOLX-MTJSOVHGSA-N 363.373 4.109 50 40 FIGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C\c3ccc(C(C)C)cc3)cc2)n1 32707737 QWMLPGCMOPJHLP-OYKKKHCWSA-N 374.488 4.436 50 40 FIGB N#CC1=C(n2ncnc2-c2ccc3c(c2)OCO3)S[C@H]2CCCCC[C@@H]12 5019043 YOFHZOCZWZAQQV-GUYCJALGSA-N 366.446 4.062 50 40 FIGB Cc1cc2c(cc1/C=N\NC(=O)c1ccccc1O)[C@@H](C)CC(C)(C)N2C 208214031 GUUDYINHRIADLW-VRHSPDTKSA-N 365.477 4.187 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1)c1ccccc1 207828730 UPEMNNQTQOESCK-TVJQZGFISA-N 359.473 4.461 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1OC 6636309 RYYMICQSHRMJGV-FYJGNVAPSA-N 372.490 4.035 50 40 FIGB O=C(c1ccccc1)[C@@H]1[C@@H]2[C@@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1 101362078 DYGLKPUISJDAQN-VRVOIDQVSA-N 353.849 4.322 50 40 FIGB O=C(CC(=O)NN=C1CCCCCCCCCCC1)NCc1ccccc1 59444852 LAEOGARNFYGEDH-UHFFFAOYSA-N 371.525 4.470 50 40 FIGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C#N)cc1 5100438 XTHYCNSZHMBSDB-UHFFFAOYSA-N 370.412 4.215 50 40 FIGB C[C@@H](Br)C(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1 6491407 QKDRRZAXYCJGMC-MRXNPFEDSA-N 374.322 4.277 50 40 FIGB CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 19938717 MQLMQPAZKQROAZ-JJEHFPDLSA-N 369.468 4.167 50 40 FIGB CC(C)[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 32999847 QWWVZTPHJPBXCU-INIZCTEOSA-N 365.260 4.194 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(F)cc3)c2C)cc1 409245115 NOZIFRCPGMOBJC-ZVHZXABRSA-N 363.436 4.234 50 40 FIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1Cl 4814064 DWTMTTARDOMZGZ-CIAFOILYSA-N 354.793 4.373 50 40 FIGB O=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccco1 2226575 QGWNFVYCGQBFFO-UHFFFAOYSA-N 364.792 4.300 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(F)cc1)C(=O)NCCCc1ccccc1 409236471 GUXDATXCHKUHNV-MNDPQUGUSA-N 373.431 4.272 50 40 FIGB CC(C)c1[nH]nc2c1[C@H](c1cccc(OC3CCCC3)c1)C(C#N)=C(N)O2 4631748 RUWUOHRUGAAZTP-QGZVFWFLSA-N 364.449 4.073 50 40 FIGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C 408996683 MLZMLMBPVGNOEW-JLPGSUDCSA-N 359.473 4.349 50 40 FIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 409120015 SEZUAEJYYXYWDB-WMRWHDLOSA-N 356.491 4.413 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)c(C)c1 408788973 NMAIWOOWIFVFCT-MHWRWJLKSA-N 365.820 4.405 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1[N+](=O)[O-] 408760336 WXPJKARDNLZRNR-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 850136 KHNHCWBSZOZGRY-IBGZPJMESA-N 374.469 4.121 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccc(O)cc1 13644173 BHHXYJYAPUKFLN-UCQKPKSFSA-N 370.412 4.090 50 40 FIGB O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccs1 6610092 VJGIPHZIBMMPCF-ZDLGFXPLSA-N 368.443 4.133 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)cc1 6947376 GRSUTHZJQVLSKZ-GHRIWEEISA-N 350.418 4.418 50 40 FIGB c1ccc(-c2n[nH]c(SSc3n[nH]c(-c4ccccc4)n3)n2)cc1 8732281 GOXBXVJYZLZQBV-UHFFFAOYSA-N 352.448 4.056 50 40 FIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(N2CCCCC2)o1 408997664 SHGNAJBFVZZGPJ-ZFMLPXDISA-N 371.506 4.042 50 40 FIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C 72117945 NVGYLTSKQUTVQB-ZROIWOOFSA-N 371.234 4.312 50 40 FIGB O=C(CCl)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 5106980 ZZUICBLUZQILED-UHFFFAOYSA-N 364.735 4.141 50 40 FIGB C[C@@H]1CC(=O)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C1C#N 40486371 CYSNZLSKZDCWDO-CQSZACIVSA-N 362.454 4.161 50 40 FIGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2Cl)o1 252490628 KYCBGDXBELXMPG-TWGQIWQCSA-N 366.598 4.442 50 40 FIGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccnc3)cc2[C@H](C)CC1(C)C 260572312 UNQCKGDOZROIFY-ANDSAHIGSA-N 364.493 4.346 50 40 FIGB Cc1cc(C)c2c3c(sc2n1)[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O3 663167 KBEUKBDXYWKRQC-HNNXBMFYSA-N 369.396 4.410 50 40 FIGB COc1ccc(O)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 1453977 UZKDVPHMDKJHSK-IZZDOVSWSA-N 363.200 4.253 50 40 FIGB CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 6262307 YPJIRHWSFHRARR-BUVRLJJBSA-N 374.440 4.315 50 40 FIGB CCOC(=O)/C(C#N)=C/C=C(\Sc1ncccn1)c1ccc(Cl)cc1 16682017 WODUATKMRIGGSO-SBEXOSLSSA-N 371.849 4.276 50 40 FIGB Cc1ccc([C@@H]2CC(=O)N3CN(CCC(C)C)CSC3=C2C#N)cc1 20348052 JXBYSZFVDBCBJC-KRWDZBQOSA-N 355.507 4.056 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c1 408742205 QCZRZAXFTAMXNJ-GXDHUFHOSA-N 371.234 4.393 50 40 FIGB COc1cccc(CC(=O)N/N=C\c2ccc(Sc3ccccc3)o2)c1 408996453 PCLSLJNRPJFBHM-STZFKDTASA-N 366.442 4.132 50 40 FIGB Cc1cccc(COc2ccc(/C=N/NC(=O)Cc3cccs3)cc2)c1 409196529 OVMIOECUOUEDSS-HYARGMPZSA-N 364.470 4.328 50 40 FIGB CC(C)/C=C(\C#N)C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CCO2 585288843 AWAANNIHUAZDBS-YFQSIASUSA-N 352.478 4.048 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccccc1Cl 718530 XPZOVZJUAFPNKZ-CYBMUJFWSA-N 354.822 4.010 50 40 FIGB COc1ccc(Cl)cc1/C=N/NC(=O)Cc1cccc2ccccc12 1434036 KVKOIOHPDMYDGU-LPYMAVHISA-N 352.821 4.195 50 40 FIGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)cc1 2739136 ROXULOPUYZNPGT-MFKUBSTISA-N 366.424 4.369 50 40 FIGB O=C(N/N=C\c1cccnc1)c1sc2cc(Cl)ccc2c1Cl 33288529 MQTXLDWSBBRZMO-UWVJOHFNSA-N 350.230 4.367 50 40 FIGB O=C(N/N=C/c1cccc2ccccc12)c1cccc(Br)c1 1501183 QKGNUWBIPWNDCO-UDWIEESQSA-N 353.219 4.366 50 40 FIGB CC(C)COc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2373220 YIBGCBUQVLDRLV-YDZHTSKRSA-N 362.429 4.344 50 40 FIGB COc1ccc(SC[C@H](Cl)CS(=O)(=O)c2ccc(C)cc2)cc1 9614766 OIBRCYVPOUHEBP-AWEZNQCLSA-N 370.923 4.177 50 40 FIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OC(C)C)cc2)c1 59473002 LJRIWPHDQOTPCG-WSDLNYQXSA-N 370.518 4.474 50 40 FIGB Cc1ccc(CSCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 59473613 VMXWRNGELQLRKI-LSHDLFTRSA-N 366.408 4.397 50 40 FIGB N#C/C(=C\c1ccc2c(c1)NC(=O)CO2)c1nc(-c2ccccc2)cs1 584929392 GNBRCOMZQGPYIM-OVCLIPMQSA-N 359.410 4.205 50 40 FIGB O=C(NNc1ccccc1)c1cc(-c2cccs2)nn1-c1ccccc1 3426737 XPJSFVDDJFJEQW-UHFFFAOYSA-N 360.442 4.358 50 40 FIGB CC[C@@H](Nc1ccccc1OC)C(=O)N/N=C(C)/C=C/c1ccccc1 5737227 MWQBPXQOPCATMW-ROBYZAHQSA-N 351.450 4.091 50 40 FIGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(Br)cc1 13965545 BRYQZWFFSUNEHV-YFGIWCPESA-N 357.251 4.093 50 40 FIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408816373 YKMXOMADQOTDNJ-LFIBNONCSA-N 350.805 4.206 50 40 FIGB CC(C)(C)N(O)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1 104202963 HVDDXJRGTJTZAU-UHFFFAOYSA-N 365.413 4.320 50 40 FIGB CN(C)c1ccc(/C=C/C(=O)NNc2ccc(Cl)c(Cl)c2)cc1 45327841 ZNQYHZQVSNCAQI-BJMVGYQFSA-N 350.249 4.216 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc3c4c(cccc24)CC3)c1 408755139 PUXNKDXHCYVHGS-LDADJPATSA-N 354.409 4.493 50 40 FIGB Cn1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21 6969655 MBSFJBGDTMKGFI-KEBDBYFISA-N 357.866 4.074 50 40 FIGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)c1 2333438 LCMHHOZOBYJFCX-SRZZPIQSSA-N 368.776 4.062 50 40 FIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 408750299 ZQCZJYZXOHLUKL-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1 6497048 WDNPSHRBFJPJEY-UYRXBGFRSA-N 361.445 4.315 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(F)c1 4524103 VAOFRWQLAIKGKP-ZVHZXABRSA-N 359.360 4.254 50 40 FIGB C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)c1cccc(F)c1 4691093 NPYVZOKICBWQAR-OEAKJJBVSA-N 355.413 4.084 50 40 FIGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC)cc2)cc1OCC 409334441 LOBITDKXFYSOOB-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1ccc(Cl)c(Cl)c1 408924655 NKFOATQZYPMDOT-YRNVUSSQSA-N 361.184 4.237 50 40 FIGB N#C/C(=C\c1ccccc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408892603 CXLPWABKKQGDCS-IZZDOVSWSA-N 362.172 4.447 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 12412104 WUULVLWTIUDHNW-VBKFSLOCSA-N 366.417 4.038 50 40 FIGB CN(C)C(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 15231274 FCRDCPIIQFZQBV-WJDWOHSUSA-N 363.848 4.338 50 40 FIGB Cc1ccc2c(c1)[C@@H]1C(SC(=O)C(C)C)=[S+]S[C@H]1C(C)(C)N2 5337719 NKTFTDHBSRPZQG-UONOGXRCSA-N 352.570 4.441 50 40 FIGB Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)NC1CCCCC1 6545697 XUZZXKNLRBKHNF-ATVHPVEESA-N 355.457 4.090 50 40 FIGB CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 8916876 HBJBEZHXQRHUSS-FQEVSTJZSA-N 350.418 4.179 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)N1CCCC1 16438008 DKXBCZLUQJXUJQ-SDNWHVSQSA-N 371.234 4.238 50 40 FIGB Cn1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 38823770 JPGFCPSULNDOAB-PCLIKHOPSA-N 367.452 4.461 50 40 FIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccc1Br 4746603 GVZJGQSRMJJNLN-VXLYETTFSA-N 356.223 4.003 50 40 FIGB O=C(N/N=C(/c1ccccc1)c1ccncc1)C12CC3CC(CC(C3)C1)C2 5899060 BWFCTECROIOFOF-DAFNUICNSA-N 359.473 4.167 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1O 6944463 VYPQVHNRGRIHEA-RIYZIHGNSA-N 356.809 4.298 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1C(C)C 7386626 SMGNEHLTTPXKGB-HYARGMPZSA-N 352.482 4.050 50 40 FIGB C=CCc1cc(/C=N\NC(=O)Nc2ccccc2Cl)cc(OCC)c1O 408850468 AOENXCCWDMQXHP-MTJSOVHGSA-N 373.840 4.328 50 40 FIGB CC(C)/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccccc1 9204021 JQFYPNIJBZTGMT-DYTRJAOYSA-N 359.267 4.168 50 40 FIGB C/C(CCc1ccccc1)=N\NC(=O)c1c(C)nc2ccc(Cl)cn12 409013983 OIELDFVMDMULJG-LPYMAVHISA-N 354.841 4.035 50 40 FIGB COc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccc(Cl)cc1 20228633 SRDDFYFHGKAFQA-RIYZIHGNSA-N 358.850 4.121 50 40 FIGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c1 408867182 JGLCRRHMHQDSKT-RIYZIHGNSA-N 356.809 4.293 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)c1C 408793482 FMWJGJQUKPTIGW-MHWRWJLKSA-N 365.820 4.405 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCC)c1 408799470 ZFAWDJVSOGOCSA-SFQUDFHCSA-N 350.418 4.338 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2)cc1 33857642 GWXUOLWPPQOAQP-SDXDJHTJSA-N 361.445 4.231 50 40 FIGB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(N(CCF)CCCl)cc1 1724313 SSDRTDWYTKJXLN-NBVRZTHBSA-N 372.827 4.046 50 40 FIGB COc1ccc(C(=O)CSC(Nc2ccc(F)cc2)=C(C#N)C#N)cc1 6381905 RUCILFFZJIKGSY-UHFFFAOYSA-N 367.405 4.121 50 40 FIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)n2c1 59444024 PYFPAKZZWHBBHK-DNTJNYDQSA-N 361.232 4.022 50 40 FIGB N#CC1=CN(c2cc(Cl)cc(Cl)c2)c2cc(F)ccc2S1(=O)=O 38654566 QTPFWIJWVRNPII-UHFFFAOYSA-N 369.204 4.423 50 40 FIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccco1 4545171 WYZXIKNMECPNNS-CIAFOILYSA-N 354.793 4.276 50 40 FIGB FC(F)(F)c1cccc2c1[C@@H]1O[C@H]2[C@@H](Br)[C@H]1Br 96171583 XEKDFSULVJVFFF-JLIMGVALSA-N 371.978 4.358 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 408889188 APFQNTCMHJXATE-HZHRSRAPSA-N 361.445 4.276 50 40 FIGB C[C@H]1Oc2ccccc2C=C1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 912138 AGFAWKAPAUDEDW-VBEHJTROSA-N 371.845 4.386 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1 1210799 QGTWOIQJKJHIRE-GXDHUFHOSA-N 371.234 4.393 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(Br)cc2)cc1 5464933 QKPSWEFHMSZICF-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB COc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1Cn1cc(Cl)cn1 6925357 CSWLAMDGRDXKMO-LHHJGKSTSA-N 370.865 4.423 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC1CC1 7334743 SCNHUWNBVABGQD-LFIBNONCSA-N 352.821 4.105 50 40 FIGB CN(NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1 52851047 HJOMKDPKEDDSSC-UHFFFAOYSA-N 360.417 4.112 50 40 FIGB COc1ccc(C(=O)/C(C#N)=C\c2ccc(OC(F)F)c(OC)c2)cc1 82068007 PVFFYXTUVIWBRU-ZROIWOOFSA-N 359.328 4.095 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(OC)c1 207378610 AXZWOZNWSWGAKA-VBKFSLOCSA-N 367.424 4.226 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCC 408804361 DXEKFJMRXLTFFM-RVDMUPIBSA-N 354.381 4.169 50 40 FIGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)c1c(Cl)cccc1Cl 44028235 BVTBYCAKHFNOIZ-UXBLZVDNSA-N 363.156 4.397 50 40 FIGB C/C(=N\NC(=O)c1ccc(OC(C)C)cc1)c1c(C)nn(C(C)C)c1C 98055560 VMZRBEBTHZVJGS-KGENOOAVSA-N 356.470 4.022 50 40 FIGB O=c1[nH]c(CCl)nc2scc(-c3ccc(Br)cc3)c12 3335899 GNYVDNGHQNRGLG-UHFFFAOYSA-N 355.644 4.153 50 40 FIGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C 101765937 DSZOWZSDKYOMRH-VZUCSPMQSA-N 357.362 4.009 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(O)c1 408585995 AERWUXFJKHDJJQ-OEAKJJBVSA-N 368.477 4.170 50 40 FIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccccc3Cl)c2c1 409010729 DHLQPMWMXIDIMS-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB CCc1cccc(CC)c1N(C(C)=O)c1nc(C=C(C#N)C#N)cs1 15187975 LTLFBHIEYLKSAX-UHFFFAOYSA-N 350.447 4.383 50 40 FIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1Cc1cc(C)cc(C)c1 408879652 CDFRDTBHHVNGGP-CAOOACKPSA-N 368.864 4.339 50 40 FIGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O 408892442 ZISJEQJALNEZIZ-NTEUORMPSA-N 371.234 4.263 50 40 FIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1cccc(Br)c1 408848314 TXMNTIICLLHAKD-DEDYPNTBSA-N 368.234 4.004 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3c(C)[nH]c4ccccc34)cc2c1 409184743 MOLWWEYDADUZNA-UUYOSTAYSA-N 361.401 4.385 50 40 FIGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(N)=O 408868803 BKMOSAIEEPIMHA-LICLKQGHSA-N 362.816 4.464 50 40 FIGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1O[C@@H](C)C(=O)O 409020356 OKQRTUFOYYWOFY-ZENNRRHLSA-N 357.793 4.265 50 40 FIGB N#C/C(=C/c1cccc(I)c1)c1nc2ccccc2[nH]1 13475566 JJWBHYNUOBAVDQ-WQLSENKSSA-N 371.181 4.232 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)c1C 6968431 YWNXLYSQYRMSTA-LPYMAVHISA-N 365.502 4.465 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1C 16250117 QEVNPJSPMGPVAJ-NTEUORMPSA-N 371.234 4.312 50 40 FIGB Cc1cc2nc(/C(C#N)=C\c3ccc(O[C@@H](C)C(=O)O)cc3)[nH]c2cc1C 59302103 KSBTXZBCOPTNQK-FBKCMUNRSA-N 361.401 4.096 50 40 FIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1OC 409009841 IQVFEOXRYIMGCN-HZHRSRAPSA-N 362.429 4.401 50 40 FIGB C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1ccc(C)c(C)c1 409359352 NZMOPPOQGSSKRO-KGENOOAVSA-N 374.282 4.018 50 40 FIGB Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCN(c3ccccc3)CC2)cc1 2578589 DDAWDDBVMBSXLW-FMCGGJTJSA-N 354.457 4.132 50 40 FIGB N#C/C(=C\c1c(Cl)nc2sccn12)C(=O)Nc1ccc(Cl)cc1 4932579 PXWVIRLVTVDIND-VQHVLOKHSA-N 363.229 4.248 50 40 FIGB CC/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccccc1O 5914266 JGCVUJSCYWTQFK-JEEMYIIMSA-N 360.841 4.052 50 40 FIGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1O 95938637 ULSQNFQQTUTNGK-JLPGSUDCSA-N 374.440 4.073 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC 408892366 YYAXNHWBHCVWQL-NTEUORMPSA-N 356.809 4.211 50 40 FIGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccc2ccccc2c1 409024060 SWRFCBSXWZPDHW-HZHRSRAPSA-N 355.397 4.100 50 40 FIGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c1 409366585 WQFCDEKHDKGBHB-ZVHZXABRSA-N 357.413 4.128 50 40 FIGB COc1cccc(C(=O)NN(C(=O)c2ccccc2Cl)C(C)(C)C)c1C 103198968 PIEYNDWUOMEKNW-UHFFFAOYSA-N 374.868 4.243 50 40 FIGB COc1ccc(/C(C#N)=C/c2ccc(O)c(Br)c2)cc1OC 408580117 AJIJOLXKWGEHJS-NTUHNPAUSA-N 360.207 4.236 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)ccc3OC)cc2c1 409187676 SZKNHEUUOMMDQQ-NHDPSOOVSA-N 372.808 4.257 50 40 FIGB CCc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 4736640 VGPLQIQGBFJIRD-SFQUDFHCSA-N 356.433 4.132 50 40 FIGB COc1ccccc1/C=N/NC(=O)CSCc1ccc2ccccc2c1 408725330 FIVFBTXLIFHEKN-LPYMAVHISA-N 364.470 4.232 50 40 FIGB COc1cc(C)c(/C=N/NC(=O)COc2c(C)cccc2C)cc1C(C)C 408912027 KJODJFVVZUGVKL-FSJBWODESA-N 368.477 4.273 50 40 FIGB O=C(Cl)[C@@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2)C1 45958777 LKAKGFVWAXLCHZ-GFCCVEGCSA-N 356.834 4.082 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(C)C)c(OC)c1 1453900 GBNXSYMRJXMNHD-WJDWOHSUSA-N 366.417 4.037 50 40 FIGB Cc1c(C(=O)N/N=C/c2ccc(C(C)C)cc2)[nH]c2c([N+](=O)[O-])cccc12 2205499 YIUCMAQKBVYPKE-SRZZPIQSSA-N 364.405 4.272 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 6468059 KIZGUZNDUXESAE-ZENNRRHLSA-N 355.781 4.033 50 40 FIGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(OCC)cc1 10475922 IMLKDBUZKJWALR-HYARGMPZSA-N 374.868 4.220 50 40 FIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 16291889 QQPAMLWZUHKIPN-MTJSOVHGSA-N 363.373 4.236 50 40 FIGB N#C/C(=C/c1ccc(O)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408567419 NDEXGEQPDZLMKV-YHYXMXQVSA-N 358.170 4.234 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(O)c1 408590815 QOROJLWBAMGKQZ-AWQFTUOYSA-N 367.232 4.250 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccnc3)c2C)cc1 408786135 MTQJLGDOESQEDG-UNOMPAQXSA-N 356.429 4.343 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)c1C 409004724 BOEMHXRNBKYRMQ-ZMOGYAJESA-N 360.461 4.057 50 40 FIGB C#CCOc1c(CC=C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 409072525 CLUYFJQUCQSNKL-QGOAFFKASA-N 369.424 4.376 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409115943 JXQQNXPBVHUKPW-ZFMLPXDISA-N 356.491 4.415 50 40 FIGB CC(C)C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 97152365 CCFAGPLBXHUNTL-ODLFYWEKSA-N 356.429 4.125 50 40 FIGB O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1 1821517 SZELCHRWRKEDSX-YDZHTSKRSA-N 358.376 4.133 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccccc1F 5894354 SZKDJMXXWBQDQU-GZTJUZNOSA-N 363.392 4.050 50 40 FIGB Cc1ccc(SCCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 409145053 HOEJQAXGLZGHOV-HYARGMPZSA-N 364.470 4.486 50 40 FIGB Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccccc1 408586941 DDMOQNVGYCDWSP-OEAKJJBVSA-N 365.864 4.440 50 40 FIGB Cc1cc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)c([N+](=O)[O-])cc1C 409370595 BKVXCWIZTBUVDQ-RVDMUPIBSA-N 365.389 4.001 50 40 FIGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(OC)c1 408864963 AUIWBLHGQGPXCV-YBFXNURJSA-N 364.445 4.051 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OC 214073934 HXLFJJQVILSPJR-ATVHPVEESA-N 350.418 4.202 50 40 FIGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(-c3nc4ccccc4s3)cc2)C1 45958804 CQEKBGFDZTTXBU-LBPRGKRZSA-N 356.834 4.082 50 40 FIGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(C#N)cc4)nc(O)c23)C1 96669424 YFLZWBXVOVNYLC-CDCQXCROSA-N 372.453 4.458 50 40 FIGB Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 943277 GBPZGOFSBFAHCG-QDBSGRMGSA-N 351.233 4.219 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)ccc1Cl 3141906 YQSIBAFDDNSHLM-DNTJNYDQSA-N 371.651 4.484 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 4714684 MMJWUFZCOAKWCR-REIAIGDLSA-N 356.491 4.352 50 40 FIGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccn1 12528926 INRFOQGZCQPOPC-CPNJWEJPSA-N 355.397 4.206 50 40 FIGB CN(CCCl)Cc1cc2cc(I)ccc2s1 19800851 UTUALKAFRPQYIW-UHFFFAOYSA-N 365.667 4.177 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1O 40139994 RABXLBHKMFVEBI-SDQBBNPISA-N 352.777 4.325 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)cc1C 59432629 NTCZPMKRSXGLRE-RIYZIHGNSA-N 371.234 4.317 50 40 FIGB C[C@@]12c3ccccc3[C@](C)(c3c1ccc1ccccc31)[C@H]1C(=O)OC(=O)[C@@H]12 104291531 XSZWGOUULUZIQB-FAYOUJPWSA-N 354.405 4.095 50 40 FIGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1 408887056 LQKXHVHQLOTKAV-GHRIWEEISA-N 364.401 4.109 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1 409235573 CIEHODJBEIKPDC-DKTFCQPKSA-N 361.228 4.483 50 40 FIGB CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 6429149 VHPXKSGVNSAKLN-UKTHLTGXSA-N 359.223 4.141 50 40 FIGB CCc1ccc([C@@H]2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1 36646316 SPFMJEZMZFCURP-LJQANCHMSA-N 356.454 4.388 50 40 FIGB C[C@@H](Cn1cccn1)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1 97977131 KNCKEUREWGBGCE-JTQLQIEISA-N 355.332 4.359 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)Nc1cnn(C[C@@H]2CCCCO2)c1 390827675 IVWNQFYZOPBFOE-JKSUJKDBSA-N 369.556 4.105 50 40 FIGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1cccc(F)c1 409245633 WTXMCPRVACDGPL-CFRMEGHHSA-N 367.399 4.065 50 40 FIGB Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CCCC3=O)c1 1056984 IJMCTDNLASXBTI-IBGZPJMESA-N 361.470 4.361 50 40 FIGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1Cl 1095757 OZORXABBJAGYMW-KOUDTOEKSA-N 351.837 4.444 50 40 FIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(C(F)(F)F)c1 2307385 PRJBGDGFYLVJNS-FOKLQQMPSA-N 358.319 4.328 50 40 FIGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)c1 2502377 IXJUELOQZXGJFU-FQEVSTJZSA-N 358.397 4.075 50 40 FIGB COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C 3330459 PFHFKYXZMSFNDB-XSFVSMFZSA-N 374.440 4.344 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(OC)c1 40889052 PUVJSVRGPHLMDG-YBEGLDIGSA-N 371.820 4.398 50 40 FIGB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4[C@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 253617600 XNFPSGMHGPKVAT-VYLIGGGTSA-N 369.343 4.333 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 408772145 DIXAYXQTWFBOKY-QBFSEMIESA-N 366.446 4.082 50 40 FIGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC 409055264 YEOOJVRPALDDBS-AWQFTUOYSA-N 367.232 4.083 50 40 FIGB CC[n+]1ccc(C)c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21 17595925 YNLCNRUEMJTNDZ-UHFFFAOYSA-N 372.428 4.095 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 59473555 VMSYGGAZHGREKQ-LTGZKZEYSA-N 356.491 4.498 50 40 FIGB COc1cccc(NC(=O)C(=O)NN=C2CCCCCCCCCCC2)c1 59515777 BKKFKFZNPFXQEL-UHFFFAOYSA-N 373.497 4.411 50 40 FIGB COc1cccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1O 1010991 PQUBKYSJGWTHRH-WSDLNYQXSA-N 360.369 4.064 50 40 FIGB Cc1cccc(NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)c1C 1440134 COVNOGZCAOPTEW-UHFFFAOYSA-N 355.507 4.232 50 40 FIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccncc1 8062995 SQBNCYCHBLBEJP-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB O=P(C(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2)(c1ccccc1)c1ccccc1 95677094 OAWWUCDYEOMRPU-FRQCXROJSA-N 355.443 4.064 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(CSc3ccccc3)c2[C@@H]1Cc1ccccc1 804029 GIHSAPOLRNLLTE-MRXNPFEDSA-N 374.469 4.115 50 40 FIGB CC(/C=N/NC(=O)c1ccc(OC(F)(F)C(F)F)cc1)=C\c1ccco1 17075841 POJQDTOXQUVKFR-WYQBIHHISA-N 370.302 4.335 50 40 FIGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(N)=O)cc2Br)c1 408874040 YUJHPWTUYCPOEZ-CAOOACKPSA-N 369.262 4.049 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cccc2ccccc12 409064381 GXWDALSMUVNNTE-BUVRLJJBSA-N 361.420 4.343 50 40 FIGB CCc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 705958 IUCWMOPKDOOUHX-NRFANRHFSA-N 374.440 4.074 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1ccccc1 4814081 XLVIBSGZZBLAOM-UDWIEESQSA-N 369.218 4.473 50 40 FIGB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C(\C#N)C(=O)O 7155545 UUPKBOMKQZSMMP-ONNFQVAWSA-N 370.623 4.192 50 40 FIGB CSc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 58915588 YLYYVHPOHVVWDM-RGVLZGJSSA-N 358.532 4.409 50 40 FIGB O=C1OC(=O)[C@H]2[C@H]1CC=C[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 100038136 VQSAROVLKPMLEQ-QJPTWQEYSA-N 364.241 4.084 50 40 FIGB Cc1ccccc1NC(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 100868230 IZHJJCMLEHXFND-MORSLUCNSA-N 364.283 4.092 50 40 FIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1 408808628 QLTXTQUNMYZXFK-QUYZQLMHSA-N 364.445 4.096 50 40 FIGB CC/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)c(OC)c1 4714636 HNXBUAABXUSEIJ-HGNXGAGXSA-N 372.490 4.115 50 40 FIGB CCCCOc1ccc([C@H]2C(C#N)=C(C)Oc3[nH]c(C)nc32)cc1OC 6160087 UEVSPTLLEOEYQT-SFHVURJKSA-N 353.422 4.228 50 40 FIGB CCCCc1[nH]nc2c1[C@@H](c1ccc(OC)c3ccccc13)C(C#N)=C(N)O2 8382694 FAYMIUSVTYMCMF-IBGZPJMESA-N 374.444 4.132 50 40 FIGB CCSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9014101 QIXQBEVENMTBOP-GOSISDBHSA-N 364.470 4.357 50 40 FIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OC(C)C 20195192 LQCDVUWUMMDDJI-OEAKJJBVSA-N 368.477 4.182 50 40 FIGB CCCCOC(=O)c1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1 57413985 FFWWTMLITKZEFU-BMRADRMJSA-N 363.417 4.102 50 40 FIGB CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)CCc3ccccc3)cc21 208436870 SBDBWVMHTPOAIU-JLPGSUDCSA-N 361.489 4.401 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408799048 JRFWMWIIVPPWRI-LDADJPATSA-N 362.429 4.423 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408803235 MTUIZFACXMWTBF-RVDMUPIBSA-N 368.820 4.459 50 40 FIGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1C(=O)O 408851529 ZYQINGPALHEJAN-WJDWOHSUSA-N 372.380 4.499 50 40 FIGB Cn1cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c2ccccc21 2309751 GZXSTINFECEQBF-UHFFFAOYSA-N 353.425 4.361 50 40 FIGB Cc1ccc2occ(/C=N/NC(=O)c3csc4ccccc34)c(=O)c2c1 2768983 CPOQAHFEDCUTNE-ZVBGSRNCSA-N 362.410 4.080 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1 4775421 VXPXSAYDVNKMMX-JAIQZWGSSA-N 369.764 4.272 50 40 FIGB CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 5130222 RZBTUOZVDZLYIY-SFHVURJKSA-N 372.428 4.082 50 40 FIGB C/C(=N\NC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(C#N)cc1 5020637 FMVAZLBPQCSIIK-KOEQRZSOSA-N 369.424 4.291 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1Cc1ccccc1 6188323 CPRUINRAZFXEOD-HNNXBMFYSA-N 362.820 4.143 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)c1 59473149 OHYILRXBXXIUCM-LPYMAVHISA-N 368.502 4.252 50 40 FIGB CCn1c(C)nc2cc(C(=O)N/N=C/C3=CC[C@H]4C[C@H]3C4(C)C)ccc21 103381233 GIFPASJDHFEDDQ-JDDWRULVSA-N 350.466 4.073 50 40 FIGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 408749287 NCVQHKKYHITOGC-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1cccc(Cl)c1Cl 408926749 YCHCZWSMFGTPAF-DHZHZOJOSA-N 361.184 4.237 50 40 FIGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(C)ccc(C)c2nc1Cl 883062 GJDGWWKSFAZYOR-KRWDZBQOSA-N 367.836 4.176 50 40 FIGB CC(C)CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 8916589 UZRVALVHMIIMEN-HXUWFJFHSA-N 350.418 4.035 50 40 FIGB O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)C(Cl)Cl 60017029 KXFLXDBZTOEEMI-UHFFFAOYSA-N 354.218 4.207 50 40 FIGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC 78325990 HWHDRFCEANYLRR-ZROIWOOFSA-N 356.809 4.211 50 40 FIGB CCCCOc1ccc(/C=N\NC(=O)c2cccc(OC)c2)cc1OCC 107935976 ALPUZZZCIQZFJH-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB Cc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)s1 408859411 UDICGXZPCOSOGS-IUXPMGMMSA-N 363.236 4.329 50 40 FIGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 409360893 PKWHLDXBDXPMOL-FOKLQQMPSA-N 371.799 4.301 50 40 FIGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Cl)ccc1O 1081862 TUEREFGDSHMQHD-UMYHVIPVSA-N 367.836 4.150 50 40 FIGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc2ccccc2c1 3167261 FQYUEVTZYZROBD-KOUDTOEKSA-N 352.821 4.411 50 40 FIGB N#C/C(=C\c1csc(-c2ccsc2)n1)c1nnc2n1CCCCC2 96310722 CHBNASMPURLCFT-MDWZMJQESA-N 353.476 4.254 50 40 FIGB Cc1nc(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccs2)no1 96935755 CCVFNRLYHPNESU-UVTDQMKNSA-N 359.414 4.356 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 408772778 RDDUFOYBHFRAML-GXPOEHQZSA-N 355.507 4.164 50 40 FIGB C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1 408864585 YDBUJJNGOYMKFZ-KOEQRZSOSA-N 371.440 4.401 50 40 FIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc(C)c1 408865792 BXCAOGVCFYDTKS-LZYBPNLTSA-N 370.836 4.018 50 40 FIGB Cc1nc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2s1 1781132 USMSICJUADFWCW-SRZZPIQSSA-N 361.426 4.227 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cl)nc3sccn23)c1C 3250199 FFWMBVCNFHOWOM-XYOKQWHBSA-N 356.838 4.212 50 40 FIGB CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@@H]2c1ccc(-c2ccccc2)cc1 5690282 HOHHMANPTVSTBX-NRFANRHFSA-N 369.468 4.377 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccccc1 18193312 LOSAKSQQSMBMHU-STZFKDTASA-N 355.441 4.318 50 40 FIGB Cc1cc2c(cc1/C=N/NC(=O)c1ccc(O)cc1)[C@@H](C)CC(C)(C)N2C 208210257 XFCFTGYTFWQMGV-LUILSVGHSA-N 365.477 4.187 50 40 FIGB O=C(CSc1ccccc1)N/N=C/c1cc2ccccc2nc1Cl 408728124 HXNIFPXSNXLAMN-RGVLZGJSSA-N 355.850 4.131 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c1 408739989 CGPBIJUDUSTLQN-NTEUORMPSA-N 371.234 4.393 50 40 FIGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1N 409008690 ZYMZEHOMTHLMIJ-IWIPYMOSSA-N 361.445 4.365 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1O)c1ccccc1 409235574 CIEHODJBEIKPDC-ODYDIQAQSA-N 361.228 4.483 50 40 FIGB COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl 2793013 LEQPQTZMJASLJA-UFWORHAWSA-N 357.624 4.419 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC1CCCC1 23382655 FYERNAKWEHPBNM-QGOAFFKASA-N 364.420 4.370 50 40 FIGB C[C@@]12CC[C@H](CC1=O)[C@@]2(C)CP(=O)(c1ccccc1)c1ccccc1 100015342 WGNZYPKNUMNPEW-ZPMCFJSWSA-N 352.414 4.396 50 40 FIGB CCCC(O)(CCC)C(=O)NN(C(=O)c1csc(C)c1)c1ccccc1 1955406 MECIAPDXCVVNIZ-UHFFFAOYSA-N 374.506 4.066 50 40 FIGB CCCCCCSC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 2312644 WOZITPZKOSYICF-OAHLLOKOSA-N 359.451 4.247 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)cc1 211713140 VAMXOJYBXLIJEV-SDXDJHTJSA-N 361.445 4.231 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 1444167 VBFHXBJHDFRLDK-BUVRLJJBSA-N 359.429 4.350 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@H]3C)o2)cc1 4306531 OSLUJXRAUGRGQN-BJWRELSSSA-N 364.401 4.125 50 40 FIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 59165075 UCHACAIMWUIJPC-NSMHLIOHSA-N 364.470 4.317 50 40 FIGB C[Si](C)(C)Oc1ncc(/C=C/Br)c(O[Si](C)(C)C)n1 195843003 GRNFSNAIEIAYAQ-BQYQJAHWSA-N 361.388 4.270 50 40 FIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(N(C)C)cc1 408851329 BKQBKIMMSYHOEN-SDXDJHTJSA-N 370.456 4.397 50 40 FIGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c2C)cc1 408978452 MFGOEIABMRIAIE-XDHOZWIPSA-N 374.444 4.163 50 40 FIGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)N1CCCC1 409373599 XODDPLBMXONGHH-SDNWHVSQSA-N 360.335 4.495 50 40 FIGB Cc1cccc(C(=O)N/N=C/c2ccccc2OC(=O)c2cccc(C)c2)c1 704516 CXWIQEPJOGJMKK-BUVRLJJBSA-N 372.424 4.287 50 40 FIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(C)cc1 1216277 JBKZWUITVWPFNO-ZVHZXABRSA-N 361.445 4.109 50 40 FIGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 2306300 NTKFDGGASHRBRY-KRWDZBQOSA-N 363.804 4.173 50 40 FIGB N#C/C(=C\c1cccc2c1OCO2)C(=O)Nc1ccc(SC(F)F)cc1 44013850 XHQIRBFCDNCMSM-XYOKQWHBSA-N 374.368 4.276 50 40 FIGB Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(C(N)=O)cc4)o3)[nH]c2c1 13471239 TXTMJSLEAPPQMB-WJDWOHSUSA-N 368.396 4.294 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C/c1cccc(Br)c1)c1ccccc1 1450898 GTTFXVMTSLMVDM-BVTUPMQUSA-N 355.235 4.233 50 40 FIGB COc1ccc(C2=C/C(=C3/C(=O)Oc4ccccc4C3=O)SS2)cc1 1566386 BVBKKOXITCDGMK-MSUUIHNZSA-N 368.435 4.487 50 40 FIGB CN(C)c1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 14824324 IKFOWUXJHFXQEE-UHFFFAOYSA-N 358.656 4.470 50 40 FIGB COc1ccccc1[P@](=O)(Cc1ccccc1[N+](=O)[O-])c1ccccc1 38141379 RNVBVCNRIWAIMB-SANMLTNESA-N 367.341 4.118 50 40 FIGB N#CC(NC(c1ccccc1)c1ccccc1)=C1C(=O)c2ccccc2C1=O 101087625 GTMXYXMTGUDLSY-UHFFFAOYSA-N 364.404 4.222 50 40 FIGB C[C@]12CC[C@@](O)(C#N)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118915103 LLOYXBYLIJXIJG-OGNRNXDYSA-N 359.510 4.027 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 207828177 PSRVYGQQPGAURL-ZENNRRHLSA-N 355.781 4.033 50 40 FIGB Cc1cccc(OCc2ccc(C(=O)N/N=C/c3ccc(F)s3)o2)c1C 252481864 CUDKMHFFHKTLNU-UFFVCSGVSA-N 372.421 4.440 50 40 FIGB CC(=NNC(=O)c1cccc(Cn2cccn2)c1)c1ccc2ccccc2c1 254705373 WXXSJDBZRJIOSQ-UHFFFAOYSA-N 368.440 4.239 50 40 FIGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1-n1cccc1 408761022 BUKPXOLXXBQSMS-PCLIKHOPSA-N 365.436 4.493 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 5569137 QCLYNLOREKKOFY-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(C)c2ccccc12 6268840 WIPNRGGXJNPOIP-YDZHTSKRSA-N 357.413 4.104 50 40 FIGB COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335829 BPNORZRBBVVITN-ZSOIEALJSA-N 356.809 4.211 50 40 FIGB O=P1(CCc2ccccc2)C[C@@H](Br)[C@H](Br)C1 1560247 MOWPSTVXVPRHHW-VXGBXAGGSA-N 366.033 4.133 50 40 FIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-n2cccc2)cc1 409093547 APKGAVUECGLNRX-HMAPJEAMSA-N 367.836 4.293 50 40 FIGB C=CCn1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21 409370810 FEZOLFLELODJOV-LPYMAVHISA-N 351.837 4.174 50 40 FIGB C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1cccc2ccccc12 409362815 KGNVOZDVPNNNKE-OEAKJJBVSA-N 351.837 4.446 50 40 FIGB COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OC 408566296 FQBBHTFOWFCIAR-CHHVJCJISA-N 369.218 4.402 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(C)c(C)c1)c1ccc(Br)cc1 408568749 WRNOLWLLCNZHGY-XSFVSMFZSA-N 359.267 4.149 50 40 FIGB Cc1c(-c2nc3ccccc3s2)cccc1N1C[C@H](C(=O)Cl)CC1=O 45886816 XIYUJKHGHKKVHZ-GFCCVEGCSA-N 370.861 4.390 50 40 FIGB CCOc1ccc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1 2163369 HRSHWBUDMYWLOO-OAQYLSRUSA-N 352.370 4.090 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 918868 PSCDVXUKWLFLEI-FSJBWODESA-N 367.836 4.471 50 40 FIGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(C)cc3)c2C)cc1 6965953 SKWCWOJKPMQTAH-UCQKPKSFSA-N 361.445 4.175 50 40 FIGB COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc1 4209291 BGFCGRWYBQZMJI-UNOMPAQXSA-N 356.381 4.172 50 40 FIGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)N1CCCC1 409372642 OGDLXVLISUAAED-FMIVXFBMSA-N 371.780 4.038 50 40 FIGB O=C(N/N=C/C(Cl)=C\c1ccccc1)c1cc(-c2ccccc2)on1 70039575 MXMLSBDQBUUFLU-MUIFUQOHSA-N 351.793 4.337 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)o1 408994927 HYYGHCURDZMDPD-CIAFOILYSA-N 373.522 4.126 50 40 FIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(N2CCCC2)cc1 38431058 JVQUZISMCHCUGM-HMAPJEAMSA-N 371.868 4.103 50 40 FIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(Br)c2)cc1 6159406 SFVXESPFQMRPRJ-FYJGNVAPSA-N 373.294 4.439 50 40 FIGB O=C(Cc1cccs1)N/N=C/c1ccc(OCc2ccccc2F)cc1 17679351 SEVJVYXDQOCPAS-LPYMAVHISA-N 368.433 4.159 50 40 FIGB CC/C(=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1 5464420 RSTMKHUIOLUOSM-PYCFMQQDSA-N 366.852 4.129 50 40 FIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1 59436994 YZGGPIWJCFNXAV-KIHMUJGBSA-N 352.381 4.336 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2sccc2Br)cc1 4196215 HEWUJOHJDOYQHL-CSKARUKUSA-N 363.236 4.065 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)CSc2ccc(Cl)cc2)cc1 5316746 ODMZFCGBHALZSC-DEDYPNTBSA-N 362.882 4.371 50 40 FIGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 5924078 WJFBPKZPICIRFD-GOSISDBHSA-N 372.428 4.084 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c3c(cccc13)CC2 408759370 CXDAOFUBIYAZHY-QGOAFFKASA-N 354.409 4.493 50 40 FIGB C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)CC 521825133 JUUDOBIPQFGWGY-UHFFFAOYSA-N 374.626 4.266 50 40 FIGB COC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 2262546 BWHDQSPMUHAQBF-DJKKODMXSA-N 353.205 4.262 50 40 FIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccccc1 6184333 ZQMUTCKSDUMEIO-NTCAYCPXSA-N 362.820 4.380 50 40 FIGB O=C(N/N=C/c1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 8380006 CFHVZBVXGUSFSN-GIJQJNRQSA-N 359.794 4.227 50 40 FIGB O=C(NNC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 3294127 OBLZYXINKIZMCT-UHFFFAOYSA-N 366.804 4.207 50 40 FIGB CC[C@H](Nc1ccccc1OC)C(=O)N/N=C(C)/C=C/c1ccccc1 5737175 MWQBPXQOPCATMW-NDQJQHCOSA-N 351.450 4.091 50 40 FIGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccnc3)cc21 208245045 ZDVOJTXFFIXHCS-ZXCVBSDHSA-N 370.884 4.221 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc2ccccc12 1023055 RHTLMLVJFUKBFX-LJQANCHMSA-N 364.408 4.448 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 3174557 IXSCANUUPHOGKB-WXUSHSQQSA-N 374.868 4.437 50 40 FIGB CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccccc2)cc1 4631431 ANKYINLYUDLBKT-FPXKJXHESA-N 370.456 4.423 50 40 FIGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1Cl 5547209 PRQFBERKNOECJT-WSDLNYQXSA-N 371.868 4.035 50 40 FIGB CCCC(CCC)=NNC(=O)c1c(C)nc2ccc(Br)cn12 58883697 MQGNZYSSYVQIFV-UHFFFAOYSA-N 365.275 4.091 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 59503620 OAKCCHFWMIYTLM-ZVHZXABRSA-N 355.441 4.279 50 40 FIGB COc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br 107995638 XPQDZVXLSLNEML-QPEQYQDCSA-N 359.179 4.430 50 40 FIGB N#C/C(=C/c1ccccc1Br)C(=O)NCCCc1ccccc1 409245818 ZKGULIREIVAFIV-LGMDPLHJSA-N 369.262 4.105 50 40 FIGB O=C(COc1cccc(Cl)c1)N/N=C\c1c(Cl)cccc1Cl 4724123 SQAMSZYWIZLLFP-UWVJOHFNSA-N 357.624 4.176 50 40 FIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccccc1O 409114662 KTTJHTSDOHYNFJ-UFWORHAWSA-N 369.273 4.083 50 40 FIGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 35323982 KSHCYSAGLMGZSU-INIZCTEOSA-N 360.244 4.278 50 40 FIGB O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12 409059076 QTPFUOYTRYDWHB-QBJCQPOYSA-N 350.805 4.362 50 40 FIGB Cc1cccc(NC(=O)N/N=C/c2ccc(N3CCCCC3)cc2)c1C 408844084 AZUKSGABHKYJLW-PXLXIMEGSA-N 350.466 4.449 50 40 FIGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1 3376028 YMSBPGLREMMWTR-SFQUDFHCSA-N 350.418 4.289 50 40 FIGB Cn1cccc1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12 679834 JZKBELWWAKACNN-FYJGNVAPSA-N 360.442 4.066 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccnc1 1254915 DLZYPNFUWGTQAS-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408742538 PPLNPXDDWPTKCO-GDNBJRDFSA-N 368.820 4.459 50 40 FIGB COc1cc(OC)c(/C=C(/C#N)c2cccc(C#N)c2)cc1Br 408568323 SPIKMDCLIXUZGR-CHHVJCJISA-N 369.218 4.402 50 40 FIGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)c1ccc(Cl)cc1Cl 33705410 BXWPHFZPEVUWTF-GHXNOFRVSA-N 370.239 4.498 50 40 FIGB CCO[Si](C)(C)CCCCCCCCCCCO[C@H]1CC(=O)NC1=O 255190068 UUFPOVMPUFEWJZ-KRWDZBQOSA-N 371.594 4.171 50 40 FIGB O=C(NNc1ccc(Cl)cc1Cl)c1cc(Cl)nc(Cl)c1 2577953 LXGRKZJIJDLEQC-UHFFFAOYSA-N 351.020 4.452 50 40 FIGB CCOc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1 711099 CFTHBDQMZOKZLI-JJIBRWJFSA-N 358.441 4.368 50 40 FIGB CC(C)(C)C1=C(C#N)[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 1476098 DSWZOHOFILEKEO-AWEZNQCLSA-N 358.239 4.081 50 40 FIGB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2[C@H](Br)N(O)c1ccccc1 3845391 WDPDSCLUQNSCNY-SMKXDYDZSA-N 352.272 4.245 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCc1ccccc1 4590155 IFURIVQZAMAJDS-XDHOZWIPSA-N 364.445 4.096 50 40 FIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccccc1C 6645841 YZOMLHBRNIKAPX-LFVJCYFKSA-N 363.461 4.008 50 40 FIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1 858282 JOWXTLDTEQZVCE-NTCAYCPXSA-N 359.341 4.400 50 40 FIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1-n1cccc1 3244151 PAEGJFPVZMFMPX-YDZHTSKRSA-N 357.335 4.260 50 40 FIGB O=C(NNc1ccccc1[N+](=O)[O-])c1csc(-c2ccc(Cl)cc2)n1 9950862 FEIRSHWPNUTDMH-UHFFFAOYSA-N 374.809 4.129 50 40 FIGB CC(=O)NNc1nc(C)c(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)s1 16957600 HWFJSRNQHJTPKQ-GQCTYLIASA-N 370.261 4.117 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 408720165 VCSNGESJGGNWSS-REIAIGDLSA-N 356.491 4.246 50 40 FIGB C[C@@H]([C@H](c1ccccc1)[C@H](Br)C(=O)c1ccccc1)[N+](=O)[O-] 1687176 YLGKZGRDOXHCOU-MAZHCROVSA-N 362.223 4.082 50 40 FIGB N#C/C(=C\c1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 3296389 WLAZZUMTRLVXJV-OQLLNIDSSA-N 369.776 4.280 50 40 FIGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 408799546 ZPKTXUYSSZWUFM-NTEUORMPSA-N 356.809 4.293 50 40 FIGB N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1O)c1nc2cc(Cl)ccc2o1 35185246 IDKLHRGHCQCQMS-HJWRWDBZSA-N 356.725 4.072 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 207828221 PSRVYGQQPGAURL-CDCQXCROSA-N 355.781 4.033 50 40 FIGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 850135 KHNHCWBSZOZGRY-LJQANCHMSA-N 374.469 4.121 50 40 FIGB N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)NC1CC1 890592 WRFARZHPGPAZOI-LFIBNONCSA-N 359.404 4.014 50 40 FIGB O=C(CSCCc1ccccc1)N/N=C/c1c(Cl)cccc1Cl 5603061 LOGLZKPMQPCXIP-RGVLZGJSSA-N 367.301 4.419 50 40 FIGB Cc1ccc(C)c(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c1C 12844039 HLKVXGQVEQJMNR-ZVBGSRNCSA-N 365.260 4.448 50 40 FIGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 13955431 HNQOLWHUKJCSEJ-VCHYOVAHSA-N 351.631 4.257 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 408526231 BDHYSNHXANGUTO-AFUMVMLFSA-N 374.488 4.273 50 40 FIGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c(C)c1 3178922 OYVSYKBRWOHDAG-AUEPDCJTSA-N 364.367 4.160 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2sc3ccccc3c2Cl)c(O)c1 7157167 KKMAGNWRPYUODE-KEBDBYFISA-N 374.849 4.423 50 40 FIGB O=C(N/N=C/c1cccc(Oc2ccc(Cl)cc2)c1)c1cccnc1 7931442 BKSMUNUFLZACEN-WSDLNYQXSA-N 351.793 4.291 50 40 FIGB O=C(O)c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 100023560 WJCBDBBZIGUHOB-UHFFFAOYSA-N 356.361 4.296 50 40 FIGB C[C@]1(CP(=O)(c2ccccc2)c2ccccc2)[C@H]2CC[C@@]1(C)C(=O)C2 100401727 WGNZYPKNUMNPEW-HSQYWUDLSA-N 352.414 4.396 50 40 FIGB COC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)c1 408727744 WVMCKYWQOCUZCR-GHRIWEEISA-N 372.380 4.279 50 40 FIGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1)OCO2 409241955 SXZYTLBLEFXTET-MLPAPPSSSA-N 374.318 4.288 50 40 FIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c(Cl)cccc1Cl 3148650 BRBXJEDSKNREDN-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1ccccc1 20238126 ZTPBYFIZOVWALJ-QGZVFWFLSA-N 353.491 4.034 50 40 FIGB CCOc1cc(C)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(C)C 408844119 BDGCFFFBVDKIFB-CIAFOILYSA-N 369.421 4.189 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc(C)c1C 6076402 XHRRJEAHVOJVNF-GDNBJRDFSA-N 354.431 4.087 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c(OCC)c1 408744670 GKGOZXXJVUUAOD-VBKFSLOCSA-N 366.417 4.038 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)ccc1Cl 32581102 PRYUQTIZXOKOES-DNTJNYDQSA-N 371.651 4.484 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)cc1 4674735 PCNYXDOYFDWWHR-GHRIWEEISA-N 371.396 4.030 50 40 FIGB N#CC1=C(N)Oc2n[nH]c(CSc3ccccc3)c2[C@H]1[C@H]1C=CCCC1 4888816 PGJBSYZRIMXJQI-GUYCJALGSA-N 364.474 4.228 50 40 FIGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4953637 KLTJXSXPHWYLJU-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)cc1 8238771 FNSBZZOUQMAJQX-XNTDXEJSSA-N 351.793 4.096 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1Cl 52410619 JRQLXQQKGKBNLE-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408718954 XOTLXMAPABSKFE-WHOATEHRSA-N 367.405 4.131 50 40 FIGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)CSc3ccccc3)cc2c1 408728614 PUOATWXUBDZNIQ-SRZZPIQSSA-N 369.877 4.439 50 40 FIGB COc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(Cl)cc1 409233097 KCYUXIKILAZYGD-ATVHPVEESA-N 354.837 4.249 50 40 FIGB CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 1248779 CJGKFUISSXUDTN-IBGZPJMESA-N 374.419 4.182 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12 4697612 ZMEYSZLLVYTWAR-NUDJCYBDSA-N 367.449 4.374 50 40 FIGB CCCCOc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19797666 HWWSFTYASYRFOB-PZJWPPBQSA-N 372.472 4.459 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(Cc3ccccc3)c2C)c(C)c1 20195434 LKMDLRJHLOIBPT-MFKUBSTISA-N 373.500 4.463 50 40 FIGB C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 96316201 ONOHEONVCRWGEC-QQFZQELXSA-N 351.793 4.177 50 40 FIGB CN(C)c1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 4663725 IAGOEFFWZIRENK-JQIJEIRASA-N 374.419 4.228 50 40 FIGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 5370358 UKUICQCDONEWRR-GIJQJNRQSA-N 352.177 4.056 50 40 FIGB O=C(CNc1ccc2ccccc2c1)N/N=C\c1c(O)ccc2ccccc12 15134220 FEMBDAKIMAGHIN-QFEZKATASA-N 369.424 4.261 50 40 FIGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 59133452 IKDOULWZLUYZTK-RVDMUPIBSA-N 373.368 4.302 50 40 FIGB C[C@@]12CC[C@@H](c3nc4ccccc4nc31)[C@]2(C)CI 245204319 TVZHYSHWUAPAPP-JQAFLVLXSA-N 364.230 4.220 50 40 FIGB CC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1ccc(C)c(C)c1 4551680 ISEZXQIJTSMIPA-LPYMAVHISA-N 374.868 4.275 50 40 FIGB Cc1ccc2nc(/C(C#N)=C/c3cc(Br)ccc3O)[nH]c2c1 4678106 LZDSTPHXYCSXFW-KPKJPENVSA-N 354.207 4.404 50 40 FIGB Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C#N)c1 5561977 RCQNZURUQUSXRB-UHFFFAOYSA-N 370.412 4.349 50 40 FIGB C[C@@H](CN(C)C)C(/C=C/c1ccc(Cl)cc1)=N\NC(=O)c1ccccc1 5759805 JMEFRHGBOYORMK-PRFSAPCLSA-N 369.896 4.337 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1C(C)C 6201820 OGJHUJRAOQUCOL-NDENLUEZSA-N 374.488 4.433 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC)c(OCC)c2)cc1 20197364 IBHYYZKRJTXNOJ-PXLXIMEGSA-N 370.449 4.037 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1OC 408735811 YBOURUILKMSVKJ-NTEUORMPSA-N 356.809 4.211 50 40 FIGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)o1 408743903 CHRIEWOHKHTWSU-VBKFSLOCSA-N 372.380 4.499 50 40 FIGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(N)=O 408875520 JQCOZKVUNVZFOH-LICLKQGHSA-N 362.816 4.464 50 40 FIGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1 408884989 WOEOYUJYCAETOE-VGOFMYFVSA-N 371.234 4.312 50 40 FIGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC 409058847 UBUYCQZHDOFQRM-AWQFTUOYSA-N 367.232 4.083 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3ccc(OC(C)C)c(OC)c3)[nH]c2c1 409392279 OSOGQEQNNCXCCH-DHDCSXOGSA-N 363.417 4.431 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@@H]3C)o2)cc1 1454076 OSLUJXRAUGRGQN-SIIQKGCSSA-N 364.401 4.125 50 40 FIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CCC(=O)Nc2cc(C)ccc2C)C1 4523945 NGNFYLIDOULISS-DXXYHEOZSA-N 367.493 4.427 50 40 FIGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 4724482 YVZNGNLBRKHRKK-FNTCUZDCSA-N 365.433 4.146 50 40 FIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)c1C 13945631 AODFNRQFOIAXBF-FMCGGJTJSA-N 366.392 4.232 50 40 FIGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(Cl)c1 31643829 HESLMTBEMZUUHW-FOWTUZBSSA-N 351.837 4.486 50 40 FIGB COc1ccc([C@H]2C(C#N)=C(SC)NC3=C2C(=O)CC(C)(C)C3)cc1 1471962 NIHFUXAUBHQZRT-KRWDZBQOSA-N 354.475 4.123 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC(F)F 7001001 GKRPLJZYLKUHQJ-KPKJPENVSA-N 371.343 4.246 50 40 FIGB O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1cccc2ccccc12 17073918 WQMAOASBTLQSPO-ZMOGYAJESA-N 358.376 4.133 50 40 FIGB CC[C@@H](Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20132473 CHIIZYKOSPCBSJ-LLVKDONJSA-N 368.300 4.009 50 40 FIGB CSc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 58915604 ZHBUGKMNRGMQEN-VXLYETTFSA-N 364.923 4.445 50 40 FIGB Cc1ccccc1OCCC(=O)N/N=C/c1c(Cl)cccc1Cl 704756 VUAXUMHURMTHLB-RGVLZGJSSA-N 351.233 4.221 50 40 FIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CCC(=O)Nc2cc(C)ccc2C)C1 4523947 NGNFYLIDOULISS-XFBWPPDYSA-N 367.493 4.427 50 40 FIGB C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)Nc1ccccc1S2 5163203 XBKSRYUWRAINLY-YDZHTSKRSA-N 360.442 4.444 50 40 FIGB CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195140 LCWJYKZIDHPVMO-WSDLNYQXSA-N 374.868 4.057 50 40 FIGB CO[C@@H](C(=O)N/N=C/c1cc2cc(C)ccc2nc1Cl)c1ccccc1 408726558 CDYMGXICCWCOGS-FNLSEGDXSA-N 367.836 4.034 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl 408789024 HHGKGLUKBAZWEN-LFIBNONCSA-N 350.805 4.206 50 40 FIGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1Cl 1055309 FFCRHRMZHHRAQJ-CYGNYLSHSA-N 352.821 4.411 50 40 FIGB N#CCn1cc(/C=N/NC(=O)c2cccc3ccccc23)c2ccccc21 33751189 XTTDJQOMPSAHDL-ZVHZXABRSA-N 352.397 4.082 50 40 FIGB O=C(N/N=C/c1ccccc1Oc1ccccc1[N+](=O)[O-])c1ccccc1 59459258 LCGFOEWWJIXGCH-KGENOOAVSA-N 361.357 4.151 50 40 FIGB C[C@]12c3ccccc3[C@@](C)(c3c1ccc1ccccc31)[C@H]1C(=O)OC(=O)[C@@H]12 104291526 XSZWGOUULUZIQB-CHOVIJNXSA-N 354.405 4.095 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)cc1C 409005984 GTBQRDBPRVRBPT-ZMOGYAJESA-N 360.461 4.057 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)c2C)c1 409387668 PFTNTOZFKKIFCX-BKUYFWCQSA-N 372.472 4.498 50 40 FIGB COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 658919 QUYRPRRBGUFODX-FQEVSTJZSA-N 374.440 4.299 50 40 FIGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1ccccc1C 4199176 GKHZWOWXAPSTQN-HYARGMPZSA-N 357.841 4.091 50 40 FIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1c(O)ccc2ccccc12 4499568 NYBPMQJCQCBVOI-MSXFZWOLSA-N 372.346 4.257 50 40 FIGB Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=N/NC(=O)OC(C)(C)C 7947463 BJZPGXSIAPXBKS-DJKKODMXSA-N 369.252 4.346 50 40 FIGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)cc1 59333886 FPQWEDZKISMTQT-BKUYFWCQSA-N 356.425 4.414 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1 408999451 LEKLXXFFKGSTKN-YBFXNURJSA-N 365.886 4.022 50 40 FIGB COc1ccc2ccccc2c1C(=O)[C@H](Br)CBr 575358353 HUSYVDBRQPMFAH-LLVKDONJSA-N 372.056 4.190 50 40 FIGB C/C(=N/NC(=O)CNc1c(C)cccc1C)c1ccc(Br)cc1 4077058 DMTLZQWIMFMIED-STZFKDTASA-N 374.282 4.018 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)c1 59432787 DKNOKKASVCJKGG-MDWZMJQESA-N 357.207 4.009 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C 208209073 JGTUKKLENSTOON-QKIXXSFTSA-N 365.477 4.181 50 40 FIGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 408599447 HKEYDMKWZSKYTQ-WSDLNYQXSA-N 374.868 4.419 50 40 FIGB COc1cc(Cl)c(/C=N/NC(=O)c2cccc3ccccc23)cc1OC 408890420 SVKBOMGAUZIFDK-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB O=C(Cc1c[nH]c2ccccc12)NNc1ccnc2cc(Cl)ccc12 9753984 PSYOLDAVYNHHNA-UHFFFAOYSA-N 350.809 4.055 50 40 FIGB C[C@@H](CN(C)C)C(/C=C\c1ccc(Cl)cc1)=N/NC(=O)c1ccccc1 17175039 JMEFRHGBOYORMK-MCVREYSHSA-N 369.896 4.337 50 40 FIGB N#C/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)C(=O)NC1CCCC1 40139833 ZGRIQJZRUPECBP-UDWIEESQSA-N 371.440 4.103 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OC 210668829 KSCQJFFWCVOVGU-WPBJZHHJSA-N 370.836 4.142 50 40 FIGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccccc1C(F)(F)F 408766397 DFIXUVKPDPKSLA-KSEXSDGBSA-N 358.319 4.328 50 40 FIGB N#C/C(=C\c1ccco1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408881017 JXCFKZMJJLYIND-XBXARRHUSA-N 352.133 4.040 50 40 FIGB CC/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc(OC)c(OC)c1 409185361 XZHOFTBZFVDXIH-HEHNFIMWSA-N 372.490 4.035 50 40 FIGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1c[nH]c2ccccc12 1081930 BIKWLMBYFWZJCU-LZCVXGSNSA-N 356.429 4.272 50 40 FIGB N#C/C(=C\Nc1ccc(O)c(C(=O)O)c1)c1nc(-c2ccccc2)cs1 1890012 PQKZOESDFGUTSR-JLHYYAGUSA-N 363.398 4.190 50 40 FIGB O=C(CCCC[C@H]1CCSS1)NCCCc1nc2ccccc2[nH]1 22700139 PTWHCYVHVZJOKD-AWEZNQCLSA-N 363.552 4.326 50 40 FIGB biogenic Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1Cl 408591544 UTMQXGBDNZKBCJ-SRZZPIQSSA-N 355.825 4.413 50 40 FIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3ccc(Cl)cc3)c2c1 409006330 IRLTXQKPWJZOOA-UUYOSTAYSA-N 368.820 4.274 50 40 FIGB CC(C)(C)c1cc(/C=N/NC(=O)c2ccccn2)cc(C(C)(C)C)c1O 1474727 UZSURYUEPGHCOB-YDZHTSKRSA-N 353.466 4.146 50 40 FIGB Cc1cc(SCC(=O)N/N=C/C=C/c2ccccc2)nc2ccccc12 4091497 ZNRHIINFCFATPH-QNUVFLEMSA-N 361.470 4.451 50 40 FIGB COc1cccc(/C(C)=N/NC(=O)c2ccc(COc3ccccc3)cc2)c1 5783942 UVHMIFGVJIULRJ-JJIBRWJFSA-N 374.440 4.428 50 40 FIGB CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 5408179 NSZOVQMLUZJJAF-INIZCTEOSA-N 362.458 4.480 50 40 FIGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 6241294 DBSOVZNMYMIAPE-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C)c2)c(OC)c1 6939918 LJBWSQPZHPDJLU-WQRHYEAKSA-N 351.402 4.053 50 40 FIGB C/C(=N/NC(=O)c1cncc(Br)c1)c1ccc(C(C)C)cc1 5231114 MFUHQKBTNOHTRE-NDENLUEZSA-N 360.255 4.122 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1O 6944499 MXUCEKVLDNTSBO-NTEUORMPSA-N 356.809 4.298 50 40 FIGB O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C\c1ccc(F)cc1 33147688 KMDRDUQXQVMFKD-IWIPYMOSSA-N 363.436 4.200 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 1086595 HKZCJGNBYJQNQB-RGVLZGJSSA-N 357.866 4.385 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1 6710756 VZWPJYZTWLSAOD-HYARGMPZSA-N 369.534 4.225 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 8812240 FHDDMWIXPHRRKK-FSJBWODESA-N 353.372 4.136 50 40 FIGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(-c2ccccc2)cc1 16268467 OCFXRXZZNGXNGI-BUVRLJJBSA-N 356.429 4.125 50 40 FIGB O=C(CNc1ccccc1)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21 34878598 PKSWAOSSTCFMCN-IVYNLYIOSA-N 371.440 4.143 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2C)OCO3)cc1Cl 408983731 CBJAUVYLQLKTPN-MKMNVTDBSA-N 354.793 4.231 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCC 409192074 UJZWKIGRFDPHBO-AQTBWJFISA-N 368.477 4.178 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 1559659031 ZMEYSZLLVYTWAR-VWMLBNHESA-N 367.449 4.374 50 40 FIGB O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccc(Cl)cc1Cl 729893 RTYXGUQNADOERN-UFFVCSGVSA-N 359.216 4.147 50 40 FIGB O=C(N/N=C/c1ccc2ccccc2c1)c1ccccc1Br 3572231 MSHIVRFHQPPOBU-UDWIEESQSA-N 353.219 4.366 50 40 FIGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(N)=S 5215804 AQHFVKYGPNPYEI-GXDHUFHOSA-N 364.861 4.386 50 40 FIGB Cc1ccc2c(c1)[C@H]1C(SC(=O)C(C)C)=[S+]S[C@H]1C(C)(C)N2 5337713 NKTFTDHBSRPZQG-ZIAGYGMSSA-N 352.570 4.441 50 40 FIGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1cc(C)ccc1C 408529786 JZGLKXSFFQUAAO-ZVHZXABRSA-N 363.383 4.275 50 40 FIGB Cc1cc(C)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 408948447 GGHWHVGQHLGLSR-UNOMPAQXSA-N 357.457 4.359 50 40 FIGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1 408956052 ZRTSYUILLDIHKI-BKUYFWCQSA-N 368.824 4.295 50 40 FIGB CC(C)(C)C1=C(C#N)[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 1476097 DSWZOHOFILEKEO-CQSZACIVSA-N 358.239 4.081 50 40 FIGB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](Cl)c1ccccc1 3885292 XBLOKEAHWJHVOD-ZDUSSCGKSA-N 369.602 4.276 50 40 FIGB Cc1ccccc1[C@@H]1CC(=O)N2CN(c3ccccc3)CSC2=C1C#N 4922633 KQXHGOKYFPJMDY-SFHVURJKSA-N 361.470 4.215 50 40 FIGB O=C(N/N=C/c1ccccn1)c1ccccc1OCc1ccc(Cl)cc1 5717021 VQKHKQVDMRMOOP-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(Br)s1)c1ccccc1 59133388 TXVXOIUWAQBSRJ-KWJWQAOWSA-N 361.264 4.295 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 208437977 CTTUTDQEDKHDHE-OEAKJJBVSA-N 363.461 4.091 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 245380453 ZMEYSZLLVYTWAR-GVDVAXQISA-N 367.449 4.374 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1 408720221 WBEVUEUXOFKKGN-ZFMLPXDISA-N 354.475 4.023 50 40 FIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 873373 YMLRGISQKAFSLQ-SFHVURJKSA-N 350.462 4.435 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1OCC 2758480 IFDBXGQSEJWDLN-XSFVSMFZSA-N 360.479 4.019 50 40 FIGB CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=N/NC(N)=O)cc1 4675864 ARQADEGSZFWIKM-LGVXEURYSA-N 369.465 4.050 50 40 FIGB O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5788286 QRLPQSGRKUQGEJ-ZZXKWVIFSA-N 372.896 4.107 50 40 FIGB COc1ccccc1NC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 6763681 NVLRSJJAUGEIIO-XOKHGSTOSA-N 352.272 4.224 50 40 FIGB O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccncc1 33361865 AYEZCGGITNAPCY-KSEXSDGBSA-N 359.307 4.124 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(C3CCCCC3)c2C)c1 408739520 CKLWMWWDSCTLEF-HYARGMPZSA-N 353.466 4.383 50 40 FIGB COc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)c1nc2cc(Cl)ccc2o1 5335100 CIRABIGIJSDNHK-KTKRTIGZSA-N 370.752 4.375 50 40 FIGB CCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)c(OCC)c2)cc1 20764757 ZTWKCHYYOVZHIN-HYARGMPZSA-N 370.449 4.035 50 40 FIGB COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC(F)F 24990328 URNURNQYLCNZMA-UKTHLTGXSA-N 355.344 4.247 50 40 FIGB O=[N+]([O-])C[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 33354092 RSCBLFUXRAXJQA-HXUWFJFHSA-N 351.342 4.019 50 40 FIGB CCCOc1ccc(C(=O)N/N=C(\CC)c2ccc(OC)cc2OC)cc1 216067583 ZWZVMGOFVCPAEZ-ZBJSNUHESA-N 370.449 4.037 50 40 FIGB CCOc1ccc(NC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)cc1 408961722 UXFGHYRVBIBSPX-JCMHNJIXSA-N 366.465 4.150 50 40 FIGB Cc1cc(-c2sccc2Cl)nc(-n2cccc2C=C(C#N)C#N)n1 1384469 AIMUPFLBIMIOIM-UHFFFAOYSA-N 351.822 4.388 50 40 FIGB CCCCCCC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2)c1 3087584 VLLUIAGSWYFETF-CJLVFECKSA-N 351.450 4.359 50 40 FIGB O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1sc2ccccc2c1Cl 4699626 MFYWPURNSXOHLL-JXMROGBWSA-N 374.824 4.168 50 40 FIGB CCCOC1(C(=O)Nc2ccc(OCCBr)cc2)CCCC1 225654600 GJMKMCAHFHYVMU-UHFFFAOYSA-N 370.287 4.138 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 409362247 IQPKOZPPZLGNGQ-LFVJCYFKSA-N 358.441 4.267 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OC 1780905 LDMPEBNCURJNND-QGOAFFKASA-N 371.458 4.212 50 40 FIGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)C(C)(C)C 4578434 IYWHGVDSRAQTLO-GZTJUZNOSA-N 357.317 4.221 50 40 FIGB Cc1c(C(=O)NN(C)c2ccccc2)oc2ccc(Br)cc12 16501424 NQTLGPSLTZVOFV-UHFFFAOYSA-N 359.223 4.285 50 40 FIGB CCCC[C@H](Br)C(=O)Nc1nc2c(F)cc(F)cc2s1 20132969 MTAJRWHBKYEWSD-QMMMGPOBSA-N 363.227 4.467 50 40 FIGB CCc1ccccc1NC(=O)N/N=C/c1ccc(N2CCCCC2)cc1 59104300 IKBYSOVHGSAVLE-CJLVFECKSA-N 350.466 4.395 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)N1CCN(c2ccccc2)CC1 95585036 XALHLWOCFDLRLI-QGZVFWFLSA-N 350.553 4.049 50 40 FIGB biogenic COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408875102 CZGOBLPZEFCDAS-VGOFMYFVSA-N 371.234 4.312 50 40 FIGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408937844 PKKOBBHSGRKYQT-YBEGLDIGSA-N 350.805 4.206 50 40 FIGB CSc1nc(NNC(=O)c2ccccc2)c2c3c(sc2n1)CCCC3 2237170 WFEOUYCRIWDHLK-UHFFFAOYSA-N 370.503 4.049 50 40 FIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl 6209674 VTNHYBAHKIRDGN-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccco3)o2)c(Br)c1 8368423 QLJXNIKBRLDIRK-GRSHGNNSSA-N 373.206 4.374 50 40 FIGB O=C(Oc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])Sc1ccccc1 1737532 BSMLDGMDEVLLLQ-UHFFFAOYSA-N 354.727 4.448 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(Cl)cc1 16789628 OFUCDDLXAJZLIB-BKUYFWCQSA-N 352.825 4.193 50 40 FIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 59116859 VDGOWELQAZAJLT-PTNGSMBKSA-N 368.820 4.459 50 40 FIGB Cc1cc(C)c2c(N)c(C(=O)N/N=C/C3=CC[C@H]4C[C@H]3C4(C)C)sc2n1 103982005 HUMSKVNAEORJTD-JHNKCYDSSA-N 368.506 4.203 50 40 FIGB CCOc1cc(C(=O)NN)cc(Cl)c1OCc1cccc2ccccc12 226325523 GOZCJWXMBCLJCL-UHFFFAOYSA-N 370.836 4.074 50 40 FIGB C#CCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 408544322 VMTMQKCVQLKNAT-BOPFTXTBSA-N 357.413 4.265 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccnc1 409234527 LLHFVUQYGRCDNO-WBRURWICSA-N 370.456 4.274 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)cc1 1195763 GTWZKUQCLUGFOB-DTQAZKPQSA-N 359.429 4.431 50 40 FIGB COc1cc(SC#N)ccc1N/C=C(\C=O)c1nc2ccccc2o1 2059275 ZKIIPOXWBXVWGD-FMIVXFBMSA-N 351.387 4.061 50 40 FIGB C=C(C)CC(=S)NNC(=O)CCn1c2ccccc2c2ccccc21 2267620 DEMZRAJCQSFTQL-UHFFFAOYSA-N 351.475 4.099 50 40 FIGB Cc1csc(-c2cc3ccc(OC(=O)CCCCl)cc3oc2=O)n1 2427761 UNJHDWBQGJTBGX-UHFFFAOYSA-N 363.822 4.149 50 40 FIGB biogenic O=C(NN=C1CCCCCCC1)c1cccc(I)c1 4551604 WGTDQJRPMQJJRV-UHFFFAOYSA-N 370.234 4.121 50 40 FIGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1 6827627 YJRQESXTLXPLLP-BOPFTXTBSA-N 354.837 4.351 50 40 FIGB N#CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c2ccccc21 33663035 ZNSREZAQEUJZEM-KAMYIIQDSA-N 360.804 4.364 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1O 408795732 WAPOVGXQNRLERG-VGOFMYFVSA-N 356.809 4.217 50 40 FIGB Cc1cccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1 408856111 IYXNAQMBWZIWEK-GRSHGNNSSA-N 357.207 4.268 50 40 FIGB Cc1ccc2nc(O)c(/C=N/NC(=O)/C=C/c3ccc(Cl)cc3)cc2c1 409063595 ADGUHKYUYYKFQH-BUOIFQIUSA-N 365.820 4.066 50 40 FIGB CCSc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)o1 814488 CNZUQQWASIOVJC-MRXNPFEDSA-N 358.463 4.151 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1 3086844 QBSMIFJCLPUCLF-PCLIKHOPSA-N 374.488 4.248 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OC)c1 7210415 DSPIPKAZCBADEC-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c(C)c1 20194355 ULWMBDZQAOUFMG-YDZHTSKRSA-N 350.393 4.395 50 40 FIGB N#C/C=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 33797079 LCZHHFPBCQPEEP-DUXPYHPUSA-N 359.179 4.473 50 40 FIGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408718956 XOTLXMAPABSKFE-ZLGFJUNHSA-N 367.405 4.131 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OC)cc3Cl)[nH]c2c1 409392194 NWGGPJWIBURXCT-SDQBBNPISA-N 369.808 4.306 50 40 FIGB CC(C)CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5214612 PIBNBFWYLLTNLM-RVDMUPIBSA-N 354.362 4.351 50 40 FIGB Cc1ccn2c(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c(C)nc2c1 59459518 MRHIMIWIDQSJGK-AWQFTUOYSA-N 361.232 4.022 50 40 FIGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccccn3)cc2[C@@H](C)CC1(C)C 223544315 HLKUFGVZPJJDCV-GCMSVZMUSA-N 364.493 4.346 50 40 FIGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(O)c1 409010454 KOCFSQBMRWPLDQ-HAHDFKILSA-N 362.429 4.488 50 40 FIGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)c1 409261579 DDRIHJVVOQMTEO-WYMPLXKRSA-N 374.444 4.248 50 40 FIGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1cc(C)ccc1C 13137323 DVSIXSOLYYESAT-LICLKQGHSA-N 350.418 4.215 50 40 FIGB O=C(N/N=C/c1ccccc1)c1c(-c2cccnc2)cnc2ccccc12 13223066 QGTIKOVJEOUTFP-DHRITJCHSA-N 352.397 4.061 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195476 LHSYUJLAVJZWOR-HAVVHWLPSA-N 368.477 4.184 50 40 FIGB O=C(N/N=C\c1cccnc1)c1cc(-c2ccccc2)nc2ccccc12 33341873 UCLNUHZKVFDGDI-IWIPYMOSSA-N 352.397 4.061 50 40 FIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(Br)o2)cc1 408568429 UBTMRISYRFYXPH-YBFXNURJSA-N 363.255 4.032 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cc2cc(Cl)ccc2o1 408959835 GQNADOJKCXIMEF-LPYMAVHISA-N 367.836 4.450 50 40 FIGB C[C@]12CC[C@@](O)(C#N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC21OCCO1 2049238361 LLOYXBYLIJXIJG-CAYFNDFTSA-N 359.510 4.027 50 40 FIGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 4600061 JMESUUIFNBHOCC-XIKOKIGWSA-N 366.804 4.141 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2[C@H]1Cc1cccn1-c1ccccc1 32115614 FCBGVJJZLCHCIO-SFHVURJKSA-N 365.440 4.272 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1 33466966 FVWBRQVPLMQXFH-GDNBJRDFSA-N 351.349 4.352 50 40 FIGB Cc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1 59435597 YXDXRPZZHZRRNO-UHFFFAOYSA-N 363.889 4.295 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408806189 BBOYUKVGKKBJRI-XNTDXEJSSA-N 368.820 4.459 50 40 FIGB Cc1cc(SCC(=O)N/N=C/c2ccc(F)cc2)nc2c(C)cccc12 871040 NGFPEAPKDMSVAC-SSDVNMTOSA-N 367.449 4.233 50 40 FIGB O=C(CCl)Oc1ccc(Sc2ccc(OC(=O)CCl)cc2)cc1 1596286 HGDCGITVDGUBQR-UHFFFAOYSA-N 371.241 4.126 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(OCC)c1 4676511 KYUMVFRFGINISU-XDHOZWIPSA-N 365.429 4.443 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1Br 14150498 FMULDRRTPXJWII-XNTDXEJSSA-N 355.235 4.305 50 40 FIGB C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1scnc1C 98054677 XBNFGVZRUJQEBL-RCCKNPSSSA-N 352.463 4.013 50 40 FIGB OB(O)c1ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccc3)c2c1 169993913 QQHFITRRVVVOOL-UHFFFAOYSA-N 363.225 4.131 50 40 FIGB CSc1ccc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 5071234 RUIZZDBCGIPMCJ-MDWZMJQESA-N 353.472 4.388 50 40 FIGB Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccco3)cc1)C2 59501513 JEMOJBHARTYDQH-FSJBWODESA-N 359.429 4.181 50 40 FIGB CCCc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 3167329 QZYARVFWUNGLAV-OEAKJJBVSA-N 362.429 4.027 50 40 FIGB C/C(=N/NC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 5369767 GBRSIFDWPVRJEM-ZDLGFXPLSA-N 351.631 4.257 50 40 FIGB N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3)cc2[C@@H]1c1ccccc1 13122559 FZQXCOOHHUVXQR-RVWJGDDESA-N 367.408 4.361 50 40 FIGB COc1cc2c(cc1C)/C(=N\NC(=O)CSc1ccccc1C)CCC2 32116643 JFFXDXLDYIIXNK-PYCFMQQDSA-N 368.502 4.261 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)cc2OC)cc1 408788588 LJYAKZFEMJBYHV-OQLLNIDSSA-N 370.836 4.465 50 40 FIGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCC(C)C)cc3)oc12 408970502 ALOPNHTYMFSOAO-WSDLNYQXSA-N 366.417 4.240 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(CSc3ccccc3)c2[C@H]1Cc1ccccc1 804030 GIHSAPOLRNLLTE-INIZCTEOSA-N 374.469 4.115 50 40 FIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OC 20195247 DHQFNMKZMFCYOG-WSDLNYQXSA-N 374.868 4.057 50 40 FIGB N#C/C(=C\c1cc2ccccc2[nH]c1=O)C(=O)Nc1cccc2ccccc12 27542672 OVKVOBHLBBEMAU-QGOAFFKASA-N 365.392 4.227 50 40 FIGB CCO/C=N/C1=C(C#N)C2=CCCC[C@H]2[C@H](c2ccccc2)C1(C#N)C#N 101521558 PLCHNYDPOFTTJG-OKGQLZLTSA-N 356.429 4.386 50 40 FIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(C)c2ccccc12 408863059 KMMXRPBDPFRDQZ-UKTHLTGXSA-N 365.820 4.386 50 40 FIGB C=CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1 408996710 MRCOIZSFZHUKLU-HYARGMPZSA-N 363.417 4.016 50 40 FIGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)c1 409002170 YMTOMKOCPNWIHV-KGENOOAVSA-N 365.458 4.261 50 40 FIGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 989337 BTDPXAXHSYWWIW-QGZVFWFLSA-N 363.804 4.173 50 40 FIGB O=C(N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)Nc1ccccc1 1057948 QBSHZNNEGKAVEX-CAOOACKPSA-N 353.165 4.057 50 40 FIGB Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)cc1C 5728633 CQGUVMLYNIOGAS-RONKMWSCSA-N 370.456 4.478 50 40 FIGB O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(Br)cc1 33295488 MMLZQMDCFSUNHO-BKUYFWCQSA-N 367.246 4.295 50 40 FIGB O=C(N/N=C\C=C/c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 86012840 CQKVIVCEZLEEOR-WFMGLJIHSA-N 374.488 4.307 50 40 FIGB O=C(c1cc(Cl)cc(Cl)c1)[C@H](Br)CBr 307526784 IVUFFUDDJDOFCP-MRVPVSSYSA-N 360.860 4.335 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)cc1Cl 408588598 JCPAIRAZPIYQCZ-FSJBWODESA-N 366.852 4.215 50 40 FIGB COc1cc(OC)c(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Cl 408599079 OMOBDNBDYPVWBV-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB COC(=O)N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 2262378 FWDQCEUFJSLFFA-CIAFOILYSA-N 371.824 4.064 50 40 FIGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccs4)CC(=O)N3C2)cc1 4412411 AEYMVOFHFPTTBG-OAHLLOKOSA-N 367.499 4.276 50 40 FIGB COC(=O)N/N=C/c1ccccc1OCCOc1cc(C)ccc1C(C)C 4525989 RZRLPPNYTAUMOV-HYARGMPZSA-N 370.449 4.266 50 40 FIGB C/C(=N\NC(=O)[C@H](C)Sc1ccccn1)c1ccc(C(C)(C)C)cc1 5130219 VXFWPGKJFQMNQP-WXUSHSQQSA-N 355.507 4.400 50 40 FIGB CCOc1ccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1 8996137 RKTHECRIKHSDJV-GOSISDBHSA-N 364.470 4.357 50 40 FIGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@H](Cl)/C1=N\C(=O)c1ccc(C)cc1 16779943 UXIHZFQSBZZYTN-BTINGTBKSA-N 358.652 4.277 50 40 FIGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc13)CC2 17074083 ULCGEKRFJLTWCQ-LPYMAVHISA-N 359.385 4.001 50 40 FIGB C[C@H](Oc1ccc(/C=C(/C#N)c2cccc(Br)c2)cc1)C(=O)O 59302016 VERMTFPRPLUFFP-ZENNRRHLSA-N 372.218 4.365 50 40 FIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1C(F)(F)F 59436871 XTYBQGZBVSYSIS-YSRRJJCPSA-N 366.408 4.477 50 40 FIGB N#C/C(=C\c1c[nH]nc1-c1cc2ccccc2o1)c1nnc2n1CCCCC2 63276024 ZTNXYLSCSILSGI-XNTDXEJSSA-N 370.416 4.205 50 40 FIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1C 409369219 ADBQIXYCTVCZQO-LGMDPLHJSA-N 357.413 4.345 50 40 FIGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(OC)cc2s1 20133020 ADSOMXKHGOLIGY-JTQLQIEISA-N 357.273 4.197 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 1433464 JJMDCCGHIGAJOQ-YBFXNURJSA-N 361.239 4.000 50 40 FIGB N#CC(C#N)=Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 5446641 KHPYGNCNBZCJFF-UHFFFAOYSA-N 352.191 4.132 50 40 FIGB BrC[C@@H](Br)CSc1nc2ccccc2o1 5876716 HJAKXEMLIGSTHT-SSDOTTSWSA-N 351.063 4.078 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccncc3)cc2[C@@H](C)CC1(C)C 223573818 BGZYRNORADIXMO-GCMSVZMUSA-N 364.493 4.266 50 40 FIGB COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)CSC#N 226328490 CHKAYARQBMKBPF-UHFFFAOYSA-N 373.821 4.310 50 40 FIGB Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(C#N)cc2)cc1 409077910 BFSNCZVUDFDPLZ-MFKUBSTISA-N 369.424 4.210 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(Cl)cc1 806321 GHYXFRVJACDQSB-CYBMUJFWSA-N 354.822 4.010 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1O 941181 MIXQRBJCMPMQDB-IZZDOVSWSA-N 363.200 4.253 50 40 FIGB Cc1cc(N(c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c(C)cc1CCl 4962222 CYOPGUVJELOHRJ-UHFFFAOYSA-N 368.842 4.048 50 40 FIGB N#CCCn1cc(/C=C(\C#N)c2ccccn2)c(-c2ccc(F)c(F)c2)n1 16695172 TWVSZTWRJUWBRM-XNTDXEJSSA-N 361.355 4.201 50 40 FIGB Cc1cccc(C)c1NC(=O)CCC(=O)N/N=C/c1cccc2ccccc12 59483829 LITDKSMPPRBCKM-BUVRLJJBSA-N 373.456 4.326 50 40 FIGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)Cc3ccccc3)cc21 208455952 VKGPCWCMXBAQMX-BUVRLJJBSA-N 361.489 4.320 50 40 FIGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 408818492 YDXPKIXKWFHOST-JYRVWZFOSA-N 374.799 4.432 50 40 FIGB N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccccc1F 408820693 YEKARKXFYQKPJZ-YHYXMXQVSA-N 351.164 4.384 50 40 FIGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 2502660 KYAFHXVNBAZRSE-QFIPXVFZSA-N 370.408 4.189 50 40 FIGB O=C(N/N=C/c1ccc2ccccc2c1O)c1cc2ccccc2cc1O 2746735 XTQYVNDDGXRMSC-YDZHTSKRSA-N 356.381 4.168 50 40 FIGB O=C(N/N=C\c1ccccc1)c1c(-c2cccnc2)cnc2ccccc12 31853045 QGTIKOVJEOUTFP-MXAYSNPKSA-N 352.397 4.061 50 40 FIGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccco3)cs2)cc1OC 100986623 WMQDQSFMQHOJOL-ZRDIBKRKSA-N 353.403 4.397 50 40 FIGB N#CC(C#N)=Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 847140 FHRZZJUBFGTASU-UHFFFAOYSA-N 371.318 4.153 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1cccc(F)c1 4677960 GJSQOYALPQXDEH-BOPFTXTBSA-N 351.425 4.199 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 13586130 NDCVKSANIZUDHT-MFKUBSTISA-N 369.424 4.210 50 40 FIGB Cc1cccc(C)c1NCC(=O)N/N=C\c1cccc(Cl)c1Cl 30738346 XYKJDNDVIXGONG-NKVSQWTQSA-N 350.249 4.172 50 40 FIGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C 408787272 WGGLQLHIXUEOBL-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB Cc1ccc(SCC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1 408862579 GOIUIAJIRLTOSI-YDZHTSKRSA-N 360.482 4.489 50 40 FIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cccc3ccccc23)cc1 408951690 JQCIPEYAPAWITG-LFVJCYFKSA-N 369.424 4.403 50 40 FIGB Cc1ccc(NC(=O)N/N=C\c2ccc(N3CCCCC3)cc2)cc1C 408961976 WHQLEAVWMSEQKD-JCMHNJIXSA-N 350.466 4.449 50 40 FIGB CC(C)(C)OC(=O)N(CCSCCCl)CCSCCCl 2362804773 LVMCRNBRGIMNBD-UHFFFAOYSA-N 362.388 4.168 50 40 FIGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1c[nH]c2ccccc12 7649721 ZYUOFEPXJYEVRP-LZCVXGSNSA-N 357.413 4.239 50 40 FIGB C=CCn1c(-c2ccccc2)cs/c1=N\NC(=O)Nc1ccccc1 100060901 HEBXWRADUDIHCM-QOCHGBHMSA-N 350.447 4.040 50 40 FIGB Cc1cccc(C)c1OCC(=O)NN(Cc1ccccc1)c1ccccc1 12346136 RZIBPGMGHSMQDS-UHFFFAOYSA-N 360.457 4.420 50 40 FIGB C[C@H]1CC(=O)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C1C#N 40486373 CYSNZLSKZDCWDO-AWEZNQCLSA-N 362.454 4.161 50 40 FIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1 213089945 FFEISOZEHMTCLW-ZROIWOOFSA-N 371.234 4.312 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1cccc(O)c1 4995126 OJTJUGSQMDLNLX-UCQKPKSFSA-N 370.412 4.090 50 40 FIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(Cl)c1Cl 5548862 SATSWVPESZMCNQ-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB O=C(N/N=C\C=C\c1ccco1)c1cc2cc(Br)ccc2o1 33757624 KMDYARDBOAICNC-PQBFDXQXSA-N 359.179 4.217 50 40 FIGB CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1cccc2ccccc12 59334923 ZLAZDSNNRORJLV-ZHZULCJRSA-N 356.425 4.414 50 40 FIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1C 949266 KNFKIULMGQGEHF-MDWZMJQESA-N 374.849 4.351 50 40 FIGB CCCCOc1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1 2801922 LXMKZWZBYHXDBZ-HAVVHWLPSA-N 361.445 4.420 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccccc1 4674098 ADEOMQPBZQMMTO-LDADJPATSA-N 361.470 4.379 50 40 FIGB Cc1ccc(S(=O)(=O)N2C[C@@](C)(CCl)Sc3ccccc32)cc1 5617755 NZQUYALRTQFEJG-QGZVFWFLSA-N 367.923 4.294 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)cc1C 408567475 NQXYHHGLYSMIKO-ZVHZXABRSA-N 357.413 4.128 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408735119 OCZXVUXOWXTSCV-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1 408785668 XWVHMPUPFDHFLK-UYRXBGFRSA-N 363.461 4.091 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OC(C)C)c1 408819651 ZXVJIKPPNBFKHR-GZTJUZNOSA-N 350.418 4.337 50 40 FIGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(Br)c1 5282553 RBVXZMONJPHTTR-VCHYOVAHSA-N 351.631 4.257 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OC 6341960 NMXDYULUCHHZLP-KPKJPENVSA-N 360.772 4.042 50 40 FIGB CN(C)c1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br 96504824 QVZWZBLLWBBJMQ-DHDCSXOGSA-N 371.234 4.277 50 40 FIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C 408591797 VEZNZVDXFIOJNJ-FSJBWODESA-N 366.852 4.215 50 40 FIGB Cc1c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc2n1Cc1ccccc1 408768961 NAJMBEZSWITFQY-UYRXBGFRSA-N 357.457 4.430 50 40 FIGB COc1cccc(/C=C(/C#N)c2ccc(Cl)cc2)c1O[C@H](C)C(=O)O 409228425 YTMAKKTVZVLXNZ-DYTQJMLRSA-N 357.793 4.265 50 40 FIGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 885599 SFRHYZOGJZWKAH-UYRXBGFRSA-N 373.456 4.221 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccn1 1453989 USTMBFRYOBTGQG-XMHGGMMESA-N 355.397 4.206 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1 4306524 OSLUJXRAUGRGQN-QSOCSOLZSA-N 364.401 4.125 50 40 FIGB CC(C)c1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2 4631727 IZCTXNXPUWZNIV-KRWDZBQOSA-N 364.449 4.073 50 40 FIGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 4863686 OCVGBRDOSPFJPY-PCLIKHOPSA-N 361.420 4.445 50 40 FIGB COc1cc([N+](=O)[O-])ccc1N/C=C(/C=O)c1nc2cc(Cl)ccc2o1 5335112 BOPGISQSYCWUOC-NTMALXAHSA-N 373.752 4.050 50 40 FIGB N#C/C(=C/c1ccc(N2CCCCC2)cc1F)C(=O)Nc1ccc(O)cc1 33609839 PVONHEKWURSHPX-VBKFSLOCSA-N 365.408 4.067 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)cc1 57395818 BZDVZOWCNJPNRA-JYRVWZFOSA-N 357.207 4.009 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1O 694374 OTWDAIRFMHKAMF-YDZHTSKRSA-N 374.396 4.454 50 40 FIGB CCCCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1 2077021 JGYNYPSBWASRCJ-FYJGNVAPSA-N 360.841 4.048 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1C 3148648 WMLPRPXRWDSUPH-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OC 4545309 NLPZPSFQWMMTEG-SRZZPIQSSA-N 372.808 4.257 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC(C)C 7156515 CVCQBCMPVUKOIE-MHWRWJLKSA-N 368.408 4.415 50 40 FIGB N#C/C(=C\c1cc(F)ccc1F)C(=O)Nc1ccccc1Br 44028578 GNOPUIPBLZPTPG-YRNVUSSQSA-N 363.161 4.273 50 40 FIGB COc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 59445227 QKQNKQNPAQUYMK-HZHRSRAPSA-N 360.413 4.038 50 40 FIGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408734931 LQTNPEVPUKLUKC-XNTDXEJSSA-N 354.793 4.062 50 40 FIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1 831115 MDOYXDDEGYQDON-HWQJWEFDSA-N 363.280 4.080 50 40 FIGB CSc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 2335730 RIPYGSNKXLWGBR-SFQUDFHCSA-N 361.470 4.156 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccs1 5582355 SRCJHVDNIWMIIF-DJKKODMXSA-N 374.805 4.124 50 40 FIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 6189861 GYYQZSWXWYNCLU-DTQAZKPQSA-N 365.433 4.133 50 40 FIGB COc1cc(OC)c(OC)cc1/C=C(/C#N)c1nc2ccccc2s1 33424391 MFRSRUHGTIEERA-JYRVWZFOSA-N 352.415 4.386 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 245380456 ZMEYSZLLVYTWAR-XDBLULQKSA-N 367.449 4.374 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)c1 408740171 DRDBGQUFOISBRD-NBVRZTHBSA-N 363.461 4.477 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408961081 QXFFZTMGNLPIRL-WSDLNYQXSA-N 362.385 4.026 50 40 FIGB C/C(=N/NC(=O)[C@@H]1[C@H]2CCC=CCC[C@H]21)c1ccc(Br)cc1 585162594 XXFRCUJHYHFFDP-CMGKXOSZSA-N 361.283 4.282 50 40 FIGB Cc1ccc(-c2csc(C(C#N)=C3C(=O)c4ccccc4C3=O)n2)cc1 944557 RVEPSDMDAOWTMQ-UHFFFAOYSA-N 356.406 4.475 50 40 FIGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)[C@](C#N)(c3ccccc3)[C@@H](C#N)[C@H]2C1 4631317 YOIGSSDLAWGEHW-MRKDIWJRSA-N 356.473 4.336 50 40 FIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 5757105 GUXIEIJDAZEPFB-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nnc(C(C)C)s2)c1C 25323439 NJXLNBZHDVCLJJ-OQLLNIDSSA-N 357.483 4.036 50 40 FIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1 408817964 XEXMOLNIDFQYEN-ZSOIEALJSA-N 361.228 4.225 50 40 FIGB C=CCc1cccc(/C=N/NC(=O)[C@H](CC)Nc2ccc(C)cc2C)c1O 654967 IZORJOISKRTWLF-WQZUMXOESA-N 365.477 4.078 50 40 FIGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 792946 RMOOOWAPAYSKBU-UHFFFAOYSA-N 350.805 4.082 50 40 FIGB COc1ccccc1/C=N/N(C(C)=O)c1nc(-c2ccc(F)cc2)cs1 4478108 HMGAMQSMSNRYNG-SRZZPIQSSA-N 369.421 4.345 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1 4898034 ARIIDDVCKAGVIC-RGVLZGJSSA-N 353.447 4.194 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2C)o1 252494772 OEHULCWTYLNSFP-XFXZXTDPSA-N 360.207 4.488 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(O)c1 408794161 HSORPXLDXUFIHU-RVDMUPIBSA-N 369.852 4.437 50 40 FIGB Cc1cc(NC(=O)N/N=C\c2cccc(F)c2)ccc1Br 408904597 LZRPRNMQVNIHAF-NVMNQCDNSA-N 350.191 4.052 50 40 FIGB CCCc1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 1027952 UBGLWWYQZFMGSB-XQNSMLJCSA-N 367.493 4.014 50 40 FIGB CN1/C(=C(/C#N)C(=O)CSc2ccc(Cl)cc2)Nc2ccccc21 1915014 FHYONRSKZJXEBD-JXAWBTAJSA-N 355.850 4.298 50 40 FIGB COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 4492320 XLIDCMLPCSJECW-DEDYPNTBSA-N 362.882 4.122 50 40 FIGB O=C(COc1ccc2ccccc2c1)N/N=C\c1c(F)cccc1Cl 4544714 SKASEKMXSRLWMK-JJFYIABZSA-N 356.784 4.161 50 40 FIGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2N)o1 5337681 BMCZUCYIUFCQOA-SSDVNMTOSA-N 353.809 4.255 50 40 FIGB CCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1OCC 31672153 RATVOYQTDMKIKJ-HAHDFKILSA-N 362.429 4.401 50 40 FIGB FC(F)(CBr)CC(F)(F)C(F)(F)CBr 100503386 JXTAZFKNMWCUHS-UHFFFAOYSA-N 351.910 4.072 50 40 FIGB O=[N+]([O-])c1cccc(/C=N\c2ccc(/C=C\C3(CCl)OCCO3)cc2)c1 104169170 XZKLWCAHMGLDFR-DIXRTKSUSA-N 372.808 4.341 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(C)c3ccccc23)c1 111458849 DPQKXTCFYRELSJ-VBKFSLOCSA-N 359.429 4.431 50 40 FIGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1ccc(F)cc1 409094260 CXKUBMSYABSKBG-PTNGSMBKSA-N 353.372 4.111 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 409389917 AZAFOXLDYVQDRU-WDZFZDKYSA-N 354.753 4.197 50 40 FIGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408893297 DPFNILWMKXDKPT-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Sc2ccccc2)o1 409241471 XSUVYEMIPJCALN-BKUYFWCQSA-N 354.406 4.263 50 40 FIGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 6358364 FGIFEXJNZZRQBX-HNDQUVLASA-N 366.417 4.124 50 40 FIGB C/C(=N\NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 12362278 IHVFTRMQTODXAL-XQNSMLJCSA-N 369.896 4.092 50 40 FIGB COc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 33759310 JTQLESCXEPXKRD-AWQFTUOYSA-N 367.232 4.083 50 40 FIGB Cc1cc(C)cc(NC(=O)N/N=C/c2ccc(N3CCCCC3)cc2)c1 59104953 SWQWCSYMXBDCSL-PXLXIMEGSA-N 350.466 4.449 50 40 FIGB Cn1cc(CCC(=O)[C@H]2C=CC=C/C2=N\C(=O)CCCl)c2ccccc21 104274605 RJUKHAYFDNJFBL-JKRPTORDSA-N 368.864 4.019 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1)C12[C@H]3CCC[C@H]1C32c1ccccc1 106361278 LDHMEUUJFYTLES-YAWPBWOQSA-N 350.849 4.158 50 40 FIGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1 209491977 KLYSFOWVWUWOQX-OVCLIPMQSA-N 372.218 4.285 50 40 FIGB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4[C@H](Br)C(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 245241120 XNFPSGMHGPKVAT-ZOQXCAQHSA-N 369.343 4.333 50 40 FIGB COc1ccc(-n2cccc2/C=N\NC(=O)Nc2cc(C)cc(C)c2)cc1 408955760 ZBDQIXVEENRTOQ-HMAPJEAMSA-N 362.433 4.258 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(C)cc1OC 409053195 MCEKVMGHBBHVHP-SRZZPIQSSA-N 360.841 4.128 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409115942 JXQQNXPBVHUKPW-YIRPMMGJSA-N 356.491 4.415 50 40 FIGB C#CCn1cc(/C=C(\C#N)C(=O)Nc2cccc(OCC)c2)c2ccccc21 871918 OTGPKWLWRUZANP-GHRIWEEISA-N 369.424 4.219 50 40 FIGB N#CCOc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1 2801931 DVNBONTXQUVBEW-ZVHZXABRSA-N 369.380 4.252 50 40 FIGB CCCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 3167023 LPITXOQVJJAVSU-CNRHGSOZSA-N 360.841 4.046 50 40 FIGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)NC1CCCC1 209279992 AQMDAJXSAZXUQK-PDGQHHTCSA-N 364.420 4.370 50 40 FIGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 409073341 YDRHVTQVMYWBFJ-GZTJUZNOSA-N 350.374 4.405 50 40 FIGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)cc1 409366026 XMKGFZBMBAMBMH-BUVRLJJBSA-N 357.413 4.073 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1C 1080370 VYNSVZOYAUREQF-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccccc1 4923144 HINVCAPQBPPNDC-QGZVFWFLSA-N 365.433 4.045 50 40 FIGB C[C@@H](CN(C)C)C(/C=C/c1ccc(Cl)cc1)=N/NC(=O)c1ccccc1 17175040 JMEFRHGBOYORMK-SSBKYHMFSA-N 369.896 4.337 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2)cc1 35394289 QOHKROIZZOVNLY-LCYFTJDESA-N 357.207 4.003 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccncc3)cc2C(C)=CC1(C)C 208513231 PFFCHDPOMBHCJK-ZVHZXABRSA-N 362.477 4.176 50 40 FIGB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCBr)cc1 225698631 SDNGPULOJARGFG-QGZVFWFLSA-N 372.303 4.384 50 40 FIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3c(Cl)cccc3Cl)n2c1 408976712 BXJFHILLWSGCIN-DNTJNYDQSA-N 361.232 4.022 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 409173220 HRVPFDPRXDZRTC-CIAFOILYSA-N 363.373 4.236 50 40 FIGB C#CCn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 977449 LLGZOTYORCQWRK-WYMPLXKRSA-N 369.346 4.057 50 40 FIGB O=C(NNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 3179727 MJBDJLBQCFVYAL-UHFFFAOYSA-N 373.437 4.038 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 3290133 MPCQJFDRKOOHFJ-GHRIWEEISA-N 373.412 4.018 50 40 FIGB CCOc1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 20133432 AKSPKPBNKGAPIS-LBPRGKRZSA-N 357.273 4.053 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 408737675 UOGGHMTZMFAOFI-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB CCOc1cc(C)c(/C=N/NC(=O)c2ccc(OC)cc2)cc1C(C)C 408851584 DCCNNFMHZNMGDR-LPYMAVHISA-N 354.450 4.290 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409121333 ZCTHPMXFXUFRAR-HINJULBWSA-N 369.534 4.472 50 40 FIGB COc1cccc(-c2cc(C(=O)N/N=C/c3ccco3)c3ccccc3n2)c1 667720 CFKFVTNIRXFRQR-OEAKJJBVSA-N 371.396 4.267 50 40 FIGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1O 694382 KNBSHLQMTIEHNQ-WSDLNYQXSA-N 360.369 4.064 50 40 FIGB CCCOc1cc(/C=C(\C#N)C(=O)c2ccc(OC)cc2)ccc1OC 7714636 JLVLURCLQKLTNQ-SFQUDFHCSA-N 351.402 4.282 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2ccccc2c1 13644192 NMXCZDIFFLJYOP-HAHDFKILSA-N 354.413 4.384 50 40 FIGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NC1CCCC1 59133403 CNPHXNXXCCBONN-AQTBWJFISA-N 364.420 4.370 50 40 FIGB CC(C)(C)OC(=O)[C@H](Br)c1ccc(Br)cc1 199831902 CUYFFNLYTGDLSY-SNVBAGLBSA-N 350.050 4.227 50 40 FIGB NNC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 226325534 AHOFUKYBXKGZFG-UHFFFAOYSA-N 361.228 4.329 50 40 FIGB COc1cc(OC)c(/C=C(/C#N)c2ccc(C#N)cc2)cc1Br 409371094 FZZUTQHWDXOIJC-CHHVJCJISA-N 369.218 4.402 50 40 FIGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 2306301 NTKFDGGASHRBRY-QGZVFWFLSA-N 363.804 4.173 50 40 FIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)cc1 9265472 UEDLCIFGMAIJGV-OEAKJJBVSA-N 361.445 4.126 50 40 FIGB O=C(c1ccc(Cl)cc1Cl)[C@H](Br)CBr 307677379 IXIUHHLXBGJPAE-SSDOTTSWSA-N 360.860 4.335 50 40 FIGB Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(F)cc4)cc3C2)cc1 408732926 BFYQGOIQCBUKOB-MXAYSNPKSA-N 373.431 4.418 50 40 FIGB Fc1c(F)c(F)c(CCCN(CCCl)CCCl)c(F)c1F 1603890 HUWRZHWMVQEJGQ-UHFFFAOYSA-N 350.158 4.094 50 40 FIGB O=C(N/N=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cccc2ccccc12 5004642 FDEBZRKOCGUJGS-JAIQZWGSSA-N 353.765 4.165 50 40 FIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c(Cl)c2)cc1 216068441 UJGZJMPJTCFKJP-FYJGNVAPSA-N 360.841 4.291 50 40 FIGB COCCOC(=O)/C(C#N)=C/c1ccc(Sc2ccc(C)cc2)cc1 409223379 FDVVGFVOFIZNSK-GHRIWEEISA-N 353.443 4.243 50 40 FIGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2)cc1 1425078 ZNVMSXZZVJAFIC-SITPEIFSSA-N 354.450 4.128 50 40 FIGB CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] 13635188 CYSGVLXNNOBORU-LCYFTJDESA-N 350.403 4.335 50 40 FIGB N#C/C(=C\c1cccn1-c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 15008883 BEUXEBNKTIFTJR-SDNWHVSQSA-N 355.357 4.326 50 40 FIGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Br)cc1 408535584 YZGJHVOKKZPPLA-LFYBBSHMSA-N 373.162 4.150 50 40 FIGB Cc1ccc(C(O)(CCC(=O)NNc2ccccc2)c2ccc(C)cc2)cc1 728316 HDRHWJNMPISPPJ-UHFFFAOYSA-N 374.484 4.463 50 40 FIGB COc1cc(C)c(/C=N\NC(=O)[C@@H](C)Oc2ccccc2)cc1C(C)C 4544371 LPHZHETYXRRVML-NXUSMQHESA-N 354.450 4.045 50 40 FIGB O=C(N/N=C(/CCSc1ccccc1)c1ccc(F)cc1)[C@@H]1CCCO1 58198360 RKUNUBXLKLJIKF-ODXGNSPJSA-N 372.465 4.007 50 40 FIGB CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408809629 IJDOZLLSFLJWDG-NHDPSOOVSA-N 372.808 4.257 50 40 FIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 3084665 JQXDPSPSCUIKCJ-DJKKODMXSA-N 353.274 4.377 50 40 FIGB BrC/C(=N/N1CCCCC1)c1ccc(Br)cc1 5052766 KAXANEVIQHRYOD-SSZFMOIBSA-N 360.093 4.034 50 40 FIGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C1/C[C@H]2C=CC[C@@H]12 6328471 ZRBLUIHJUAHIPS-OPRHPSHPSA-N 359.640 4.094 50 40 FIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1O 6886178 SANWYGASYVEKTF-FOKLQQMPSA-N 358.319 4.328 50 40 FIGB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NC(=O)CCl 12660311 HJBLTJMKWABGPD-GDYGHMJCSA-N 367.961 4.114 50 40 FIGB N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)Nc1ccccc1 44022400 PQOJNILEAMKVGT-CPNJWEJPSA-N 355.397 4.206 50 40 FIGB CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1cccc2ccccc12 33410033 MPNMUQLGRTVAJM-UNOMPAQXSA-N 372.424 4.210 50 40 FIGB COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1Cl 39402895 HAEKGQKJKDJFHH-LPYMAVHISA-N 368.820 4.301 50 40 FIGB N#C/C(=C/c1ccc(I)cc1)c1cccc(C#N)c1 408567934 QQBWHURSMOQPTI-NVNXTCNLSA-N 356.166 4.227 50 40 FIGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)c1 6963441 PNYVZRMTFOANGR-LPYMAVHISA-N 365.502 4.465 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)C2c3ccccc3-c3ccccc32)cc1 48508605 MSUQJXLLILRIAR-BUVRLJJBSA-N 355.441 4.015 50 40 FIGB O=C(c1ccc(F)c2ccccc12)[C@@H](Br)CBr 575357566 QXOAYKMXJLISQJ-NSHDSACASA-N 360.020 4.320 50 40 FIGB COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(Cl)cc1Cl 5726127 HTKASHZNOUVAFB-AWQFTUOYSA-N 367.232 4.051 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCCC(C)C 6430412 GPHYFQCCSRLVDU-XNTDXEJSSA-N 371.462 4.122 50 40 FIGB O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1 6506015 CMOIIJMUOPFNQB-XBXARRHUSA-N 369.635 4.121 50 40 FIGB CCN(CC)CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1 17316488 OWOAJTONDAKLLY-CAPFRKAQSA-N 350.462 4.480 50 40 FIGB CCCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 21876378 NXARJBQXAMKZGL-UHFFFAOYSA-N 374.868 4.179 50 40 FIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccccc2OCCC)cc1 216068617 GLRVWLYZYZQBJM-CJLVFECKSA-N 354.450 4.418 50 40 FIGB CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 409367889 NIUMQHOHLKFNHF-IBGZPJMESA-N 361.445 4.443 50 40 FIGB Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc2n1C 1106564 CXAASMBWKZNJOP-RGVLZGJSSA-N 370.250 4.013 50 40 FIGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc3ccccc3c2)c(C)c1 6189636 CYHXGTRBODJKAC-BUVRLJJBSA-N 373.456 4.326 50 40 FIGB C/C(=N/NC(=O)C1[C@H]2CCC=CCC[C@H]12)c1ccc(Br)cc1 18280596 XXFRCUJHYHFFDP-DGNFCPMDSA-N 361.283 4.282 50 40 FIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409229390 OLDOFZWSOCUOMA-FXBPSFAMSA-N 369.468 4.442 50 40 FIGB CCOc1ccccc1/C=N/NC(=O)COc1ccc([C@H](C)CC)cc1 1320107 RZAFFDDVUMBJRO-CAUNFOBBSA-N 354.450 4.128 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 3071420 RCLVTTSKUSUAKZ-JJIBRWJFSA-N 359.473 4.379 50 40 FIGB CCOC(=O)/C(C#N)=C\c1cccc(OC)c1OCc1ccc(Cl)cc1 6940050 RZEWUNXJKSUKGS-WJDWOHSUSA-N 371.820 4.398 50 40 FIGB O=C(Cl)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 8729543 OZTINMNSZAZIOE-ZZXKWVIFSA-N 356.559 4.396 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(F)cc1 13586173 FQKLBIJYXHXASU-ZVHZXABRSA-N 362.404 4.477 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c1 28217549 AHXDCPRGEOKHEU-YDZHTSKRSA-N 365.408 4.006 50 40 FIGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccnc3)cc21 208245003 ZDVOJTXFFIXHCS-GHONEHJGSA-N 370.884 4.221 50 40 FIGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CCc2ccccc2)c1C 409109390 CUDVVPGHFZDRNU-LFVJCYFKSA-N 359.473 4.485 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)N1CCCC1 409368377 SGUVIVTYFVUUSM-UKTHLTGXSA-N 371.780 4.038 50 40 FIGB CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 4426997 YVJUSFRZLQXENV-HNNXBMFYSA-N 350.466 4.223 50 40 FIGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)s1 5409145 UADQOEZOHVEKEC-CQSZACIVSA-N 368.487 4.343 50 40 FIGB CCC(CC)C(=O)Nc1ccc(/C(C)=N\NC(=O)Cc2cccs2)cc1 4507197 NLUXFJRRIAXLSA-HMAPJEAMSA-N 371.506 4.206 50 40 FIGB CC[C@@H](C)c1ccccc1OCCCOc1ccccc1/C=N/NC(N)=O 4576048 RLLZJUSQIGLHKH-LGVXEURYSA-N 369.465 4.050 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c1 4722632 ADVZTDSMCPXTBQ-MDWZMJQESA-N 357.207 4.003 50 40 FIGB CC/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccccc1O 5914230 JGCVUJSCYWTQFK-IQQDNESTSA-N 360.841 4.052 50 40 FIGB C[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccnc2)/C(=C/c2cccnc2)C1 19796892 ZOFNDSWLZTZBCP-AGLCWLBPSA-N 356.429 4.052 50 40 FIGB CC(C)Oc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 20133442 HFNNQFSYCSLTES-CYBMUJFWSA-N 371.300 4.442 50 40 FIGB Cc1sc(-c2ccco2)nc1C(=O)NNc1ccccc1C(F)(F)F 30806829 ODARBMKMRVFZMH-UHFFFAOYSA-N 367.352 4.487 50 40 FIGB Cc1ccc(-c2nc3ccccc3s2)cc1N1C[C@H](C(=O)Cl)CC1=O 45886788 PSZCOYXWPIWGTG-CYBMUJFWSA-N 370.861 4.390 50 40 FIGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccccc1-n1cccc1 55074180 KSSTYKWPBRQUKH-HAHDFKILSA-N 355.397 4.100 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c(F)c1)c1ccccc1 409232829 BSYGQPQBBVOYGT-UEIJICEPSA-N 363.436 4.210 50 40 FIGB CC1(C)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)N=C(O)[C@@H]1C#N 3189260 NOSFEMFBFQFVIV-LBPRGKRZSA-N 359.838 4.127 50 40 FIGB N#C/C(=C\c1cccc(Br)c1)c1nc(O)c2ccccc2n1 3899753 IMXUTGLJHOWVAQ-XYOKQWHBSA-N 352.191 4.162 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCO2 35328982 BNSZCZPRNMDVGB-FBHDLOMBSA-N 368.776 4.093 50 40 FIGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C#N)C1 118917337 RTAURWUNGUYMPA-VJAZUCGMSA-N 359.510 4.215 50 40 FIGB biogenic O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(F)c1 408740644 HUACCPIXJVEFRI-ZMOGYAJESA-N 366.367 4.308 50 40 FIGB CCOc1cc(/C=N/NC(=O)CC(C)C)ccc1OCc1ccccc1 704570 OOAFKUGDVBDLDZ-HYARGMPZSA-N 354.450 4.161 50 40 FIGB C[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 2315553 YLHHOQSOZYGGIZ-ZJUUUORDSA-N 369.328 4.493 50 40 FIGB COc1ccccc1-c1ncnn1C1=C(C#N)[C@H]2CCCCC[C@@H]2S1 5019053 QGJWMTWMGAXBIM-DYVFJYSZSA-N 352.463 4.342 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Cl)cc1OC 6958506 IJVAGNPTTCWACV-KEBDBYFISA-N 367.232 4.165 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1C(C)(C)C 7386636 VMJUTRVDCDCCMY-HZHRSRAPSA-N 366.509 4.224 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCC)cc1 20197239 CRGRRPPRLGYFPW-FYJGNVAPSA-N 360.841 4.291 50 40 FIGB O=C(CCCCBr)c1c(F)cc(Br)cc1F 309494607 CNPOISWISJEUNG-UHFFFAOYSA-N 356.004 4.475 50 40 FIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408802327 ZDBHEKAMZTXMSQ-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1O 409370896 DBKJCYAKXBYMMJ-CHHVJCJISA-N 369.218 4.489 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1 1410501 REVYSVPOGLHKHJ-OWBHPGMISA-N 363.804 4.382 50 40 FIGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 4549595 LLPFVCMBPAKFPU-QGZVFWFLSA-N 363.804 4.173 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OCC 6210680 SUGVCQQLDKLHBT-GHRIWEEISA-N 357.413 4.048 50 40 FIGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccncc1 716728 XEUGVHDGKBXILK-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB N#C/C(=C/c1ccccc1)C(=O)N/C=N/OCc1ccc(Cl)cc1Cl 3041072 NVIAPFABTJHSAN-NVNXTCNLSA-N 374.227 4.177 50 40 FIGB C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(-n2ccnc2)cc1 7077628 USESPMKYKWZBHV-HYARGMPZSA-N 360.442 4.241 50 40 FIGB O=C(CCl)Nc1nc2ccc(OCc3ccccc3F)cc2s1 20131829 RYCSGDWQBMAAKR-UHFFFAOYSA-N 350.802 4.192 50 40 FIGB Cc1ccccc1[C@H]1CC(=O)N2CN(C3CCCCC3)CSC2=C1C#N 20237970 XWFYDVNXOIWJMC-GOSISDBHSA-N 367.518 4.343 50 40 FIGB Cc1ccc(C)c(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c1 23230844 KFPYNVWAZXUQFD-CGOBSMCZSA-N 371.655 4.005 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1 59473338 RUTUOQQVAVVGGT-CIAFOILYSA-N 374.893 4.288 50 40 FIGB C[C@@H]1CCC/C(=N\NC(=O)c2ccccc2OCCOc2ccccc2)C1 4965078 OEBLWDJULDABSM-SPJFCROGSA-N 366.461 4.440 50 40 FIGB N#C/C(=C\c1cccc(F)c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 5071150 BNOQIXSDKWSPHE-XYOKQWHBSA-N 351.406 4.067 50 40 FIGB CC/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 16102234 JLYIDEGRJLBGDC-HSBRJCCXSA-N 358.441 4.318 50 40 FIGB N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1cc(Cl)ccc1Cl 408921485 AZIJSSHSKYQFKM-YRNVUSSQSA-N 361.184 4.237 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1 1775996489 XVCLCPUQCNDJGE-LSHDLFTRSA-N 369.774 4.189 50 40 FIGB COc1ccccc1-c1cc(C(=O)N/N=C/c2ccoc2)c2ccccc2n1 1003403 CVYDSLQJASMRCV-YDZHTSKRSA-N 371.396 4.267 50 40 FIGB COc1ccc(/C(Cl)=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 1857730 FGVDBFYGSBZBFI-RGEXLXHISA-N 359.809 4.352 50 40 FIGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(Cl)cc1 20247942 JGQXMUMKEJDGLB-DJKKODMXSA-N 353.274 4.377 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c(C)c1 23724026 WLGMPBHLXXCSEC-RIYZIHGNSA-N 371.234 4.317 50 40 FIGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 58883469 CMRZXOVYYDPQAC-WSDLNYQXSA-N 371.868 4.035 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 208209031 ILSWPDNUZVFBEC-FVQJWRHTSA-N 365.477 4.181 50 40 FIGB CCOc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409021429 HBVMLBBIMQWOLG-NHDPSOOVSA-N 372.808 4.257 50 40 FIGB O=P(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)(c1ccccc1)c1ccccc1 575628252 OAWWUCDYEOMRPU-TXPKVOOTSA-N 355.443 4.064 50 40 FIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Br)c1 941096 GCAUMUFRTKHLJP-UKTHLTGXSA-N 357.207 4.003 50 40 FIGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccnc1 3101621 MHGFFCYKIXOJNF-FSJBWODESA-N 365.820 4.078 50 40 FIGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cc(C)ccc1C 33688972 ZFQHZEKCQKRFSJ-NCELDCMTSA-N 372.468 4.080 50 40 FIGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59133394 DWESUURKOKWKGL-IZZDOVSWSA-N 362.172 4.447 50 40 FIGB CCO/C=N/C1=C(C#N)C2=CCCC[C@@H]2[C@H](c2ccccc2)C1(C#N)C#N 101521549 PLCHNYDPOFTTJG-BYJPVGMQSA-N 356.429 4.386 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 211326672 CFJQQISGDDELAZ-HUCUOGIVSA-N 364.445 4.268 50 40 FIGB C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2ccc(Cl)cc2)c1 3227681 SVHWXYISXVIANF-UHFFFAOYSA-N 371.868 4.252 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1O 3570429 XAVNFCMUIMCIFI-IZZDOVSWSA-N 363.200 4.253 50 40 FIGB COc1ccccc1NC(=S)N/C=C(\C#N)c1nc2ccccc2s1 5734163 AEVOLZLUROPVKC-VAWYXSNFSA-N 366.471 4.156 50 40 FIGB COc1cc(/C=C/C#N)c(Br)cc1OCc1ccccc1C#N 6453597 JDUBKWXGGGVBRA-QPJJXVBHSA-N 369.218 4.445 50 40 FIGB CSc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1 58915643 SDGJDRZHKWYCGI-VXLYETTFSA-N 364.923 4.445 50 40 FIGB O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1ccc(F)cc1 245238327 KMDRDUQXQVMFKD-UHFFFAOYSA-N 363.436 4.200 50 40 FIGB N#C/C(=C/c1ccc(O)c(Br)c1)Cn1cnc2ccccc21 408691839 TTZTXCWMHAESHD-QPEQYQDCSA-N 354.207 4.112 50 40 FIGB CCCn1c(C)cc(/C=C(C#N)/C(O)=N/c2nc(C(C)=O)cs2)c1C 50821129 IDDJXTIDHSEZRF-OVCLIPMQSA-N 356.451 4.369 50 40 FIGB O=C(N/N=C/c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 59920754 PWXYGOCNOAISQS-AWQFTUOYSA-N 371.156 4.232 50 40 FIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 408726877 VNPIGBIGCJHQJH-JQLXVZQHSA-N 367.405 4.131 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Cl)c1)c1ccccc1 409240337 GRWQWRKOYBCFIY-DKTFCQPKSA-N 361.228 4.483 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)N2CCCC2)c(C)n1-c1ccc(Cl)cc1 409368253 VWFUEVZQIHOJNF-SFQUDFHCSA-N 353.853 4.277 50 40 FIGB O=C(CBr)c1cc(Br)cc(C(F)(F)F)c1F 575689710 BEWSVRACUGYISZ-UHFFFAOYSA-N 363.930 4.185 50 40 FIGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 1421672 HRWGISGZPHMBDI-CIAFOILYSA-N 357.841 4.089 50 40 FIGB Cc1c(C(=O)N/N=C/c2ccc(C(C)C)cc2)[nH]c2ccc([N+](=O)[O-])cc12 1504092 QYNVXGICTWVJMQ-SRZZPIQSSA-N 364.405 4.272 50 40 FIGB CCCCOc1ccc([C@H]2[C@@H]3CCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 4728997 UCEXNLBILDLWGJ-NQIIRXRSSA-N 372.472 4.459 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1 6295424 YHVXXSUVYNUSQO-OEAKJJBVSA-N 362.816 4.269 50 40 FIGB COc1ccccc1NC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 26531569 NVLRSJJAUGEIIO-RRQGHBQHSA-N 352.272 4.224 50 40 FIGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC 211476326 GHEIHUJGRLACJZ-PDGQHHTCSA-N 362.429 4.423 50 40 FIGB C[C@H](Oc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1)C(=O)O 408808876 GRLDFISKJGTPIC-GQVHDAKQSA-N 372.218 4.365 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c1 408860754 DJUAROJWFLWALF-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Cl)c2)cc1 1319707 BJDRWIDGQRBVCW-OFJBCHTGSA-N 374.868 4.391 50 40 FIGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1 1769778 AMAWXXCWWSXLAH-FOWTUZBSSA-N 352.390 4.091 50 40 FIGB O=P(C(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)(c1ccccc1)c1ccccc1 2577598 OAWWUCDYEOMRPU-FCEWJHQRSA-N 355.443 4.064 50 40 FIGB C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 5381871 JBWWWALFIUZSCO-HZHRSRAPSA-N 358.397 4.236 50 40 FIGB Cc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1 6030070 ZSVZSABIPYRXCY-VHSSKADRSA-N 364.283 4.092 50 40 FIGB Cc1cccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1 13140649 CRWQGJOZQOBYDF-JJIBRWJFSA-N 372.472 4.150 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cc(C)ccc1C 13595735 ZUTXPGWYTNTOCV-XSFVSMFZSA-N 359.267 4.149 50 40 FIGB O=C(N/N=C/c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 59922227 XWHUSPSUQVKPIT-AWQFTUOYSA-N 371.156 4.232 50 40 FIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1 4464160 QATLAOQMVQMMNA-MYKKPKGFSA-N 373.334 4.433 50 40 FIGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccccc1 7098053 UDGKFSFMBUQAAP-FYJGNVAPSA-N 369.877 4.373 50 40 FIGB CC/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 16102233 JLYIDEGRJLBGDC-OMSIWZRRSA-N 358.441 4.318 50 40 FIGB CCOc1cccc(OCC)c1/C(C)=N/NC(=O)Cc1ccc(C)cc1C 20195534 OTNRYZOHWXATOQ-HAVVHWLPSA-N 368.477 4.184 50 40 FIGB CO[C@H](C(=O)N/N=C/c1cc2cccc(C)c2nc1Cl)c1ccccc1 408728591 PGWDZWQZIBVGPA-YPKZHZFPSA-N 367.836 4.034 50 40 FIGB CC(C)(C)[Si](C)(C)OCC[C@](C)(O)CC(=O)OCc1ccccc1 1857780957 QTJBWAOCMULFMY-IBGZPJMESA-N 352.547 4.283 50 40 FIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(SC)cc2)cc1 1320031 ISIJIXFUZIFZNO-NWGMWSOJSA-N 356.491 4.451 50 40 FIGB Cc1cc(C)[n+]2c(c1C#N)SC[C@H]2[C@H](Br)c1ccccc1 1444011 DQZFJJZXVHQIGO-JKSUJKDBSA-N 360.300 4.246 50 40 FIGB Cc1ccc(O)c(/C=N\NC(=O)C2c3ccccc3Oc3ccccc32)c1 4724452 JBZRZAYWNGFWDS-QRVIBDJDSA-N 358.397 4.089 50 40 FIGB O=[P@](Nc1nccs1)(c1ccccc1)c1nc2ccccc2s1 100435898 YXBYBXICJONGGY-OAQYLSRUSA-N 357.400 4.094 50 40 FIGB Cc1nc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)oc1C 102171765 VKTNNAXDYPRSHZ-VSORXJBLSA-N 357.460 4.294 50 40 FIGB CC1(C)CC2=NC(SCC(=O)O)=C(C#N)[C@@H](c3ccccc3)C2=C(O)C1 103945548 NIYSFTQGTITFKB-QGZVFWFLSA-N 368.458 4.410 50 40 FIGB N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1 408541496 GMKGGJMCBRSYGX-WJDWOHSUSA-N 359.341 4.148 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1Br 408740094 DFUFCGAAQZBZII-UDWIEESQSA-N 373.250 4.086 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(Br)s2)cc1 20197782 PJRSXAQMDXLQDI-LICLKQGHSA-N 367.268 4.063 50 40 FIGB CCOc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 20248938 VNNDUWURGFXXOD-DEDYPNTBSA-N 362.882 4.371 50 40 FIGB CCc1sc(C(=O)N/N=C/c2ccc(F)s2)cc1Br 252490303 KOOHPTBFJILDIL-GIDUJCDVSA-N 361.261 4.038 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1O 408792301 ANYSBNDXONGKAF-WOJGMQOQSA-N 362.429 4.292 50 40 FIGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408889857 JZWGITQZTXZVRK-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 704693 RKBLVTFPDMAKCX-WSDLNYQXSA-N 368.820 4.438 50 40 FIGB Cc1cc(OCC(=O)N/N=C/C=C/c2ccccc2Cl)ccc1Cl 3139851 VPQROYRTURLPSZ-RQVUTRMESA-N 363.244 4.496 50 40 FIGB Cc1c(/C=C(\C#N)c2nc3ccccc3s2)n(C)n(-c2ccccc2)c1=O 6049410 PNKATRJQCIFOIE-NTCAYCPXSA-N 372.453 4.158 50 40 FIGB COc1ccc(/C(Cl)=C(/C=O)c2ccc(OC)c(OC)c2)cc1OC 17176455 WFAINMQUZRDRQU-XMHGGMMESA-N 362.809 4.027 50 40 FIGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 408795969 NDPNFHHJIMUTAQ-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB CN1C(c2ccccc2)=C(C#N)C(=O)C[C@H](c2ccc(Cl)cc2)N1C 5760181 VYISOMHPNSINGU-GOSISDBHSA-N 351.837 4.067 50 40 FIGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408817205 ZYLGBPSUPLXXOO-SFQUDFHCSA-N 350.418 4.202 50 40 FIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)o1 409189930 NVAMOCOZQIGXBI-UVTDQMKNSA-N 365.389 4.129 50 40 FIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cccs2)cc1OC 409369867 GQMGTNWTVVYBQV-XEQXHXIFSA-N 366.870 4.351 50 40 FIGB C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1 1421559 MQDZBLIMAKARIZ-KOUDTOEKSA-N 352.821 4.411 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1[N+](=O)[O-] 8812158 ITVWXZHRGVYMPH-SRZZPIQSSA-N 367.336 4.066 50 40 FIGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1csc2ccccc12 55082636 BBTOYMXEUTZXAV-UHFFFAOYSA-N 363.486 4.283 50 40 FIGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc(F)cc1 58915599 NMBWJOIYKKQDOR-UDWIEESQSA-N 350.846 4.253 50 40 FIGB CCOC(=O)c1sc(NC(=O)CCCC[C@H]2CCSS2)nc1C 96115241 FBPSRWYMGASBAN-NSHDSACASA-N 374.553 4.281 50 40 FIGB biogenic O=C(C/C(=N\NC(=O)c1ccccc1Cl)C(F)(F)F)c1cccs1 100405272 WOBRBAIENDQJAO-DEDYPNTBSA-N 374.771 4.323 50 40 FIGB O=C(Cc1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 1307769 YQBUHAFCUWGXGG-PCLIKHOPSA-N 367.452 4.382 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccccc1 4113777 KPHBJSCMKRXFPW-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 5728444 OURGCQBNCLSELO-RQNDZEIBSA-N 360.392 4.000 50 40 FIGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3/C[C@@H]4CC=C[C@@H]34)cc12 36262063 NHRLWHXYDAXSMV-IETFCHPBSA-N 362.458 4.077 50 40 FIGB Cc1cc(C(=O)N/N=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)c(C)o1 36843755 XHSIIJJCSJPGNZ-IFRROFPPSA-N 365.216 4.395 50 40 FIGB CC/C(=N/NC(=O)c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 1003400 VUXOHVIQFHJQEE-QOCHGBHMSA-N 354.450 4.128 50 40 FIGB CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 4549596 LLPFVCMBPAKFPU-KRWDZBQOSA-N 363.804 4.173 50 40 FIGB Cc1cc(C(=O)N/N=C/c2ccc(F)c(F)c2)c(C)n1-c1ccc(F)cc1 6831449 CGADKSJPSGVHQZ-BHGWPJFGSA-N 371.362 4.275 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 13839893 DKNPYNFZUDNBDI-CIAFOILYSA-N 354.793 4.373 50 40 FIGB C[C@H](Br)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3162279 PCESRJVCFUAIBU-YFKPBYRVSA-N 364.083 4.446 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2ccc3ccccc3c2)ccc1Cl 5540433 YPXHJUYDDKRTJR-WSDLNYQXSA-N 352.821 4.331 50 40 FIGB N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)c1ccc2c(c1)OCO2 44028724 NCCOKANGRTWQAK-NTUHNPAUSA-N 361.275 4.104 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)C2[C@H]3CCC[C@H]2C3c2ccccc2)cc1 100071803 ZKYIVSWIPHGVGC-RPXDQGJTSA-N 361.489 4.033 50 40 FIGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc(Cl)c(Cl)c1 704153 SHPDPXKVHOWZAQ-UDWIEESQSA-N 351.233 4.221 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccc(Cl)cc1 806322 GHYXFRVJACDQSB-ZDUSSCGKSA-N 354.822 4.010 50 40 FIGB C=CCc1cccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)c1O 1095735 LWSBYHFTQWCYCQ-WTJYETQFSA-N 373.456 4.225 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)o1 5547646 KPMOCEWZNVXZNI-DJKKODMXSA-N 373.752 4.174 50 40 FIGB O=C(N/N=C/c1ccccc1F)c1cccc(N2Cc3ccccc3C2)c1 59503623 WUQXNSYVGWYJPV-ZMOGYAJESA-N 359.404 4.110 50 40 FIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1453737 OISHUDXZTHLHLZ-WSDLNYQXSA-N 374.356 4.100 50 40 FIGB O=C(N/N=C(\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1O 4545572 KXOCYKCWFRRHMT-ZBJSNUHESA-N 350.805 4.228 50 40 FIGB C/C(=N\NC(=O)[C@@H]1CC1(C1CC1)C1CC1)c1cccc(Br)c1 5288743 APKXLSUWNNFIIN-YODDIOPGSA-N 361.283 4.116 50 40 FIGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C 28216975 DXJLVIFEINYFJJ-YDZHTSKRSA-N 361.445 4.180 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1C 408818485 WZUSNLANAUFMPH-NTEUORMPSA-N 356.809 4.211 50 40 FIGB CC(C)/C=C(\C#N)C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2 585288838 AWAANNIHUAZDBS-XPFMCRKWSA-N 352.478 4.048 50 40 FIGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CC[C@H](C(C)(C)C)C2 1099682 ACZLCSFFBMWJRR-JTQLQIEISA-N 357.903 4.253 50 40 FIGB O=C(CSc1ccccn1)N/N=C/c1cccc(Oc2ccccc2)c1 993678 JTFVUIZGMMQRBY-HYARGMPZSA-N 363.442 4.116 50 40 FIGB C/C(=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccccc1 1469488 IBPSHCHMQXNHON-ULJHMMPZSA-N 359.473 4.451 50 40 FIGB O=C(N/N=C/c1cccc(Br)c1)c1ccc2ccccc2c1 4503313 DUVJWYNTQLNDIE-UDWIEESQSA-N 353.219 4.366 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC(C)C 59117710 SDCWPTBKLLPJPM-BOPFTXTBSA-N 350.418 4.337 50 40 FIGB CC(C)=C(C=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195752865 XCRZMZHVRLHUJL-UHFFFAOYSA-N 352.550 4.098 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OCC 408807853 LGFGUSNJXNBWAX-YFCLQTKISA-N 356.466 4.086 50 40 FIGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)C#N)C1 503976330 RTAURWUNGUYMPA-FEIBYLFLSA-N 359.510 4.215 50 40 FIGB CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)cc1OCC 1308735 QMSJQPDJILEWOY-SFHVURJKSA-N 367.449 4.115 50 40 FIGB CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(CC)s1 1431756 AOXZACRYHNWONU-CQSZACIVSA-N 374.487 4.075 50 40 FIGB CC[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1c[nH]c2ccccc12 2750390 FBBMZNSLLDTQHK-ORWNMUSCSA-N 354.841 4.162 50 40 FIGB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)CCC(=O)Nc2ccccc2Cl)C1 12404065 UJKXPMGZUYQULT-ACNSNUFOSA-N 373.884 4.463 50 40 FIGB CN(C)[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 58369725 UTOQOASGUPKDDR-OAHLLOKOSA-N 372.683 4.393 50 40 FIGB O=C(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 169795629 VSONGCUGJXGJLY-UHFFFAOYSA-N 362.522 4.465 50 40 FIGB N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@@H]1c1ccco1 409148304 YGCWKFMNFKEMGA-LBPRGKRZSA-N 374.849 4.084 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)cc1 4499319 FZCUYLSBVGVRHO-NTMALXAHSA-N 363.236 4.065 50 40 FIGB Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)cc1C 5728632 CQGUVMLYNIOGAS-XNHPLOEXSA-N 370.456 4.478 50 40 FIGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccccc1 24494653 FTNFLJUDDDXHJX-ATVHPVEESA-N 373.368 4.078 50 40 FIGB COc1cc(C)c(/C=N\NC(=O)[C@H](C)Oc2ccccc2)cc1C(C)C 32114699 LPHZHETYXRRVML-GLFIFPSUSA-N 354.450 4.045 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)cc1 408710878 TTYGAIQSYQILNA-SFQUDFHCSA-N 362.429 4.344 50 40 FIGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C 408989793 IXIWTMOJMRKAGI-SRZZPIQSSA-N 355.825 4.413 50 40 FIGB Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 2369337 ZSVZSABIPYRXCY-JEBQAFNWSA-N 364.283 4.092 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)cc1 6489441 RMWDPJPUILDVEA-SSZFMOIBSA-N 358.397 4.490 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 6971211 OZNQWTVFSZVZRM-QINSGFPZSA-N 360.329 4.358 50 40 FIGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCC#N 33600857 KGFWCOLBQNVNST-GDNBJRDFSA-N 369.218 4.424 50 40 FIGB COc1ccc(Oc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)cc1 408723772 LBGFWDJYCQAAGP-OEAKJJBVSA-N 364.376 4.391 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1 408997257 NKKJPSQMXFWFFA-DEDYPNTBSA-N 352.415 4.203 50 40 FIGB CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1cccc2ccccc12 3254314 MPNMUQLGRTVAJM-XDHOZWIPSA-N 372.424 4.210 50 40 FIGB COc1ccccc1/C=N/NC(=O)c1ccc(COc2ccccc2)cc1 7421982 SFFGRKALWUZJMI-HZHRSRAPSA-N 360.413 4.038 50 40 FIGB O=C1OC(=O)[C@@H]2CC=C[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H]12 169797523 VQSAROVLKPMLEQ-UTUOFQBUSA-N 364.241 4.084 50 40 FIGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408735477 SMNRREFJCCGNCC-MHWRWJLKSA-N 368.820 4.371 50 40 FIGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Cl)cc1Cl 408753997 LLKURFVPDMOGFB-LSHDLFTRSA-N 374.227 4.071 50 40 FIGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1CC 408869502 PTFUHAQIAUILAF-SFQUDFHCSA-N 350.418 4.202 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)c(Cl)c3)cc2c1 409187046 LIFMRDNHAPXPGP-NHDPSOOVSA-N 372.808 4.257 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 728273 HTMNEXFGFHAMGC-SDNWHVSQSA-N 373.250 4.484 50 40 FIGB O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(Br)o1 8130509 ASSODBLIXJTBEK-UHFFFAOYSA-N 371.234 4.394 50 40 FIGB Cc1ccc(-n2nc(C)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c2O)cc1 12462101 XXPQGIFQWZDDME-RVDMUPIBSA-N 355.401 4.135 50 40 FIGB N#C/C(=C\Nc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 18115422 AXMWSZFRFITMJN-JLHYYAGUSA-N 353.230 4.244 50 40 FIGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3)cc2)cc1 58900607 CFJXFQWTPSNVGO-HZHRSRAPSA-N 357.413 4.011 50 40 FIGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccncc3)cc21 208252783 FUNHYXOEVZCIQW-GHONEHJGSA-N 370.884 4.221 50 40 FIGB O=C(c1cc(Cl)ccc1Cl)[C@@H](Br)CBr 307719344 MUWFJLKQPXOKQL-ZETCQYMHSA-N 360.860 4.335 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NC1CCCCC1 408817048 UYVMTBLNBQLPFX-OBGWFSINSA-N 358.441 4.208 50 40 FIGB Cc1ccc(C(C)(C)C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2)c1 1808246 XKMCCBJMFIQUCE-WSDLNYQXSA-N 358.869 4.475 50 40 FIGB O=C(N/N=C1\CCCC[C@H]1C1CCCCC1)[C@@H]1COc2ccccc2O1 5865514 RRCHERBZSXBACC-SXOIZLHESA-N 356.466 4.069 50 40 FIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc2ccccc2cc1O 6244273 HAZJOQYPILAMIC-FOKLQQMPSA-N 358.319 4.328 50 40 FIGB CC1(C)Cc2cc(/C=N\NC(=O)c3ccccc3C(F)(F)F)ccc2O1 408710885 UEPRZJKIQVVMLO-KSEXSDGBSA-N 362.351 4.183 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1 408728254 YMZXECXMRJDVJK-LTGZKZEYSA-N 355.507 4.165 50 40 FIGB C/C(=N\NC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 408858716 OOPHKZQFJRDOJY-LFVJCYFKSA-N 357.413 4.093 50 40 FIGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1cccnc1 1102802 VHIUAKFTTXIKDM-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc2ccccc2c1 4735308 UIEZWTSWWZERLC-FYJGNVAPSA-N 367.246 4.295 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 4879470 PDTZRSCYYWPPSU-ZVHZXABRSA-N 359.429 4.275 50 40 FIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 5370473 MKNBSVPIROAZBQ-MBNTZHJCSA-N 363.280 4.080 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc(Cl)c1O 13042231 YEVWFCINSLBZFX-VGOFMYFVSA-N 357.793 4.243 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 20760688 BUHAABVKBITRTR-YBFXNURJSA-N 361.239 4.000 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2C)cc1 408959539 ARZUOEGREHKBOW-JXAWBTAJSA-N 361.445 4.150 50 40 FIGB COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2O)o1 409049716 XZOMSHWTIJVQBZ-SRZZPIQSSA-N 370.792 4.078 50 40 FIGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1)OCO2 409105984 PVGOONYWFFZZRD-AWNIVKPZSA-N 370.792 4.013 50 40 FIGB Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc3ccccc23)cc1 2750939 MQCFXRMEKVGZFQ-HZHRSRAPSA-N 359.429 4.017 50 40 FIGB CC[C@H](C)c1ccccc1OCCOc1cccc(/C=N/NC(=O)OC)c1 4525991 FVUMRBUXYORWEZ-PZBNQXIHSA-N 370.449 4.348 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1 20197586 CRVMLWCFPYWSMP-HZHRSRAPSA-N 362.429 4.401 50 40 FIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C)c1 59417816 PGVMKUYEJLIXSM-UDWIEESQSA-N 373.250 4.086 50 40 FIGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2cc(C)cc(C)c32)cc1 104765998 HXSJVDTYBOZMCW-LJQANCHMSA-N 372.424 4.190 50 40 FIGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1C 408802332 ZFBIOAYZZXUYFW-SFQUDFHCSA-N 350.418 4.338 50 40 FIGB COc1ccc2c(c1)/C(=N/NC(=O)Cc1cccc3ccccc13)CCC2 1433792 HUIVNHJAQKXMKR-ZNTNEXAZSA-N 358.441 4.248 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCCCC1 1698279 OVZBRNJFFQZLFD-OMNSNBSWSA-N 355.869 4.017 50 40 FIGB O=S(=O)(C[C@@H](Cl)c1ccccc1)c1ccc(Br)cc1 1725519 RRAWEGLJMZQPRB-CQSZACIVSA-N 359.672 4.203 50 40 FIGB O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(Br)o1 5773167 YDVYDKQUVHHQMU-UHFFFAOYSA-N 361.239 4.486 50 40 FIGB N#CC(C(=O)c1ccc(C(=O)c2ccccc2)cc1)=C1Nc2ccccc2N1 6017249 KQDVXAHYAGVMCO-UHFFFAOYSA-N 365.392 4.373 50 40 FIGB CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21 8904046 ZYJLOJCDUOGUDP-INIZCTEOSA-N 366.465 4.104 50 40 FIGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1F 59435270 BQOJCCFIULICBE-ZMOGYAJESA-N 366.367 4.308 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 59515500 FFPIHKHUZBQNTJ-OEAKJJBVSA-N 359.429 4.052 50 40 FIGB CN1/C(=C(\C#N)C(=O)c2cc([N+](=O)[O-])ccc2Cl)Sc2ccccc21 102634553 VAPHSTYSFYGLGB-ATVHPVEESA-N 371.805 4.408 50 40 FIGB C=CCn1cc(/C=N/NC(=O)COc2ccccc2Cl)c2ccccc21 408909158 GFZZEWLRJUWKCB-WSDLNYQXSA-N 367.836 4.010 50 40 FIGB N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)N1CCCC1 409369088 BEGSMSGYWQSDNO-ACCUITESSA-N 360.335 4.495 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C)cc2)cc1 657921 PKBNKRSWYDYBOC-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Br)c1ccccc1 3135219 PLCOTBZUNJTVEE-ZDUSSCGKSA-N 369.602 4.323 50 40 FIGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Br 3232342 GAURJOQMJRDAET-SDNWHVSQSA-N 371.234 4.393 50 40 FIGB CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1cc(-c2ccccc2)n[nH]1 4705507 VYPFGSLMJMVYNY-FVIJQBLYSA-N 356.429 4.452 50 40 FIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)cc1 9201467 TXYFYDSYPZUSIG-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 30803264 PGEWSRIXXVYZOT-QRVIBDJDSA-N 361.367 4.070 50 40 FIGB O=C(NN(c1ccccc1)c1ccccc1)C1=NO[C@H](c2ccccc2)C1 64803523 UZIYNLCNEDTXOZ-NRFANRHFSA-N 357.413 4.374 50 40 FIGB C=CCc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(OC)c1O 408581620 JREWJMAJVQHXJS-LICLKQGHSA-N 351.402 4.211 50 40 FIGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NNc1ccccc1 4700630 ANJOJICWASEOMU-UHFFFAOYSA-N 359.429 4.275 50 40 FIGB C/C(CC(=O)Nc1cccc(F)c1)=N/NC(=O)c1ccc(C(C)(C)C)cc1 5287695 VHBJGBQCAVBXNS-OYKKKHCWSA-N 369.440 4.258 50 40 FIGB Cc1ccc(-c2nc3ccccc3s2)cc1N1C[C@@H](C(=O)Cl)CC1=O 45886793 PSZCOYXWPIWGTG-ZDUSSCGKSA-N 370.861 4.390 50 40 FIGB Cc1ccc2nc(SCC(=O)N/N=C/c3ccccc3F)cc(C)c2c1 871030 SKVOSJYXVQVXQC-SSDVNMTOSA-N 367.449 4.233 50 40 FIGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccs3)cc2)c1 3140158 OUVXVHULABURSG-FYJGNVAPSA-N 363.442 4.073 50 40 FIGB N#CC1=C(N)Oc2n[nH]c(CSc3ccccc3)c2[C@@H]1[C@@H]1C=CCCC1 6720034 PGJBSYZRIMXJQI-CXAGYDPISA-N 364.474 4.228 50 40 FIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 8381907 SPNBOBWPSSWEDS-KEBDBYFISA-N 364.386 4.055 50 40 FIGB CCOc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 20133435 AKSPKPBNKGAPIS-GFCCVEGCSA-N 357.273 4.053 50 40 FIGB COCCOc1cccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1 63412686 AQCMAXXRXQQNGT-GZTJUZNOSA-N 363.442 4.294 50 40 FIGB CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408882037 OWMFZTZSFCQKEV-GXDHUFHOSA-N 371.234 4.393 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3nccs3)c2C)cc1 3330433 VWTYHEBWJARLBA-GZTJUZNOSA-N 362.458 4.405 50 40 FIGB FC(F)(F)c1cccc2c1[C@H]1O[C@H]2[C@@H](Br)[C@@H]1Br 100645204 XEKDFSULVJVFFF-AXTSPUMRSA-N 371.978 4.358 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccnc1 408775896 SRVCJVJCRRNYKW-BOPFTXTBSA-N 360.392 4.174 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1Cl 409009315 DCNZAASMEPXNLX-LNOXHEFASA-N 360.841 4.290 50 40 FIGB Cc1ccc(C(=O)[C@H](Br)CBr)c2ccccc12 575358634 XFJMBVCNIYUAMI-CYBMUJFWSA-N 356.057 4.489 50 40 FIGB Cc1cccc(C)c1N[C@@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12 850564 PNFMCGQHEZMYIY-OHHQFBAHSA-N 361.445 4.113 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OCC 2768595 AVVLOXAPBKJTJW-GHRIWEEISA-N 356.466 4.230 50 40 FIGB Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2C1 4412426 ZGNMIDNAMUBRAN-AWEZNQCLSA-N 367.499 4.276 50 40 FIGB C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1Cl 1055297 UMAANGYBZAHPJN-CYGNYLSHSA-N 352.821 4.411 50 40 FIGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4)CC(=O)N3C2)cc1 4923215 GZRHHELQTLANSS-SFHVURJKSA-N 361.470 4.215 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccs2)sc(C)c1C 16758972 RGJGOQCPGHARHX-WQLSENKSSA-N 360.460 4.149 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 58927318 XCWDAJTZAGVPMD-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB CCCOc1ccccc1/C=N/NC(=O)c1cccc(Br)c1 59502259 KXIHPVWAAQFOMN-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB CCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc21 409389154 OZHKSWAGIWMZTD-DYTRJAOYSA-N 373.456 4.366 50 40 FIGB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)[C@](C#N)(c3ccccc3)[C@@H](C#N)[C@@H]2C1 4631314 YOIGSSDLAWGEHW-KALSDKHNSA-N 356.473 4.336 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 5943800 GEVXFTJAQUHLAV-CNHKJKLMSA-N 372.595 4.319 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(OC)c1 40139951 DADUINLTQJGTLV-NTUHNPAUSA-N 350.349 4.114 50 40 FIGB N#C/C(=C\c1cccc2c1OCCO2)C(=O)Nc1ccccc1C(F)(F)F 54802438 YVFXLLJARPHWQC-JLHYYAGUSA-N 374.318 4.022 50 40 FIGB COc1ccc(Cl)cc1NC(=O)c1ccc(CBr)cc1 96191247 HTBPBYQGPNINJH-UHFFFAOYSA-N 354.631 4.496 50 40 FIGB CC(C)(C)C(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccncc1 97998068 WCJQNIJVODEUTN-LGMDPLHJSA-N 356.429 4.456 50 40 FIGB CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 946268 BSNYKQYSOUREKI-UDWIEESQSA-N 352.463 4.200 50 40 FIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccccc2F)o1 2374927 PKHLOFGHVVSITB-FSJBWODESA-N 366.392 4.232 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(OC(F)(F)F)cc2)cc1 2504509 FDMSEIBRCMPTIX-MHWRWJLKSA-N 367.348 4.232 50 40 FIGB CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(C)cc1)C(Cl)Cl 3109718 VXVSHMFJTDAACU-CQSZACIVSA-N 368.197 4.121 50 40 FIGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(O)cc1 4155522 MNQBXUXZBLRSIL-JZOCJUILSA-N 367.232 4.007 50 40 FIGB O=C(CSCc1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 4545239 KFUCERPIJFTDKJ-DJKKODMXSA-N 353.274 4.377 50 40 FIGB CC(C)(C)c1n[nH]c2c1[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 4812604 OGQSLGSHRDHDMK-LLVKDONJSA-N 363.248 4.232 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 4814086 WUBAKOANDFKQBP-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NC1CCCCC1 5770070 DOYGOQAWFDJPRF-NTCAYCPXSA-N 365.389 4.211 50 40 FIGB Cc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1Br 6215384 LLPJGVJQAJTJFF-VXLYETTFSA-N 365.658 4.104 50 40 FIGB N#C/C(=C\c1ccc(OCC(=O)O)cc1)Sc1nc2ccccc2s1 6252918 QQXDIAICCMEJOR-NTEUORMPSA-N 368.439 4.416 50 40 FIGB COc1cc(C)c(/C=C(\C#N)C(=O)NCc2cccs2)cc1C(C)C 781447 SUWPIDHIIATQSZ-CXUHLZMHSA-N 354.475 4.412 50 40 FIGB CCCCCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC 5792563 NNQIFRBNJAXBSV-PXLXIMEGSA-N 370.449 4.037 50 40 FIGB CCOc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(F)F 7159100 METMCZLVNNMZIL-GXDHUFHOSA-N 374.391 4.069 50 40 FIGB CC(=C/c1ccccc1)/C=N/NC(=O)COc1cccc(C(F)(F)F)c1 97991799 NXFWUKDHKZAMOU-VCXKRBOTSA-N 362.351 4.290 50 40 FIGB N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 939443 GKEJGJVYAVSBSW-MHWRWJLKSA-N 363.417 4.419 50 40 FIGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 4600060 JMESUUIFNBHOCC-KPZWWZAWSA-N 366.804 4.141 50 40 FIGB Cc1cc(NC(=O)N(CCCl)N=O)c(C)cc1NC(=O)c1ccccc1 4973278 CJCBEUDVEMOQLO-UHFFFAOYSA-N 374.828 4.310 50 40 FIGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccs2)C(C#N)=C(N)O1 16606640 WCYVIAFZZCTIQM-INIZCTEOSA-N 371.849 4.122 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 58871636 DICRLGJEUJZKCE-BUVRLJJBSA-N 371.440 4.320 50 40 FIGB CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 58885756 VJDCVPWTSHGLFV-UHFFFAOYSA-N 367.449 4.490 50 40 FIGB C=CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1CC=C 408856799 RGUKSTLSCIXCFE-HAHDFKILSA-N 360.413 4.490 50 40 FIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1Cl 5749608 JEFXQAHVTUUVMG-CNHKJKLMSA-N 372.595 4.319 50 40 FIGB C[C@]12c3ccccc3[C@](C)(c3c1ccc1ccccc31)[C@H]1C(=O)OC(=O)[C@@H]12 104291536 XSZWGOUULUZIQB-MYSJAJEPSA-N 354.405 4.095 50 40 FIGB O=C(CCCC[C@H]1CCSS1)Nc1cnn(C[C@@H]2CCCCO2)c1 390827673 IVWNQFYZOPBFOE-HOTGVXAUSA-N 369.556 4.105 50 40 FIGB CO[C@H](C(=O)N/N=C/c1cc2cc(C)ccc2nc1Cl)c1ccccc1 408726563 CDYMGXICCWCOGS-YPKZHZFPSA-N 367.836 4.034 50 40 FIGB C/C(=N\NC(=O)CSc1ccccc1)c1ccc(Br)cc1 408772963 NUBZKXWWKFNGPR-LDADJPATSA-N 363.280 4.082 50 40 FIGB Cc1cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)[nH]n1 6691038 FFJMRHLIPRRUBB-UFWORHAWSA-N 363.204 4.049 50 40 FIGB O=C(NN=C1CCCCCCC1)C(O)(c1ccccc1)c1ccccc1 6997835 PMXDQEDXXLEXPN-UHFFFAOYSA-N 350.462 4.139 50 40 FIGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12 59445295 PRMBCHAQVOZEEP-RGVLZGJSSA-N 353.765 4.165 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1C 408782661 IMZZUTPOFGCXHW-BOPFTXTBSA-N 350.418 4.337 50 40 FIGB N#C/C(=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)NC1CCCCC1 409216924 PTAASEUXGXHCSR-WDZFZDKYSA-N 368.220 4.257 50 40 FIGB CCOC(=O)[C@H](Br)[C@H](Br)c1ccccc1Cl 1600734 GXESVHOGRBTVJS-NXEZZACHSA-N 370.468 4.103 50 40 FIGB N#C/C(=C\c1ccc(I)cc1)c1nc2ccccc2[nH]1 13943924 YKUJXMMGEUIXLV-FMIVXFBMSA-N 371.181 4.232 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 59506618 RRZIGTGKDAPZQN-LPYMAVHISA-N 351.450 4.022 50 40 FIGB N#Cc1ccc(OCC(=O)N/N=C2/CCCC[C@@H]2C2CCCCC2)cc1 103458437 KCGXJQRDNAOQLL-IGTQYIEMSA-N 353.466 4.180 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)o1 408589286 LEGRVFPHPSLADR-SRZZPIQSSA-N 355.825 4.413 50 40 FIGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408949241 AGCHNTUKZCJVQZ-LFVJCYFKSA-N 369.424 4.403 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(F)c1 1053852 QTYYAULLOFQXRP-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 1058853 FEFZOBBKEXCBQC-NWGMWSOJSA-N 369.421 4.028 50 40 FIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Cl)ccc1Cl 4311728 PLVSRLSJSRJVRR-OAHLLOKOSA-N 363.244 4.444 50 40 FIGB CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 5695060 PWTIKRWQPVATHF-GDNBJRDFSA-N 373.250 4.327 50 40 FIGB COC(C)(C)CCOc1ccc2nc(NC(=O)CCCCl)sc2c1 20133636 HSJBSVIJAOBOLJ-UHFFFAOYSA-N 370.902 4.448 50 40 FIGB C[C@]1(CP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CC[C@@]1(C)C(=O)C2 100401725 WGNZYPKNUMNPEW-WTNAPCKOSA-N 352.414 4.396 50 40 FIGB COc1ccc2cc(C(=O)[C@@H](Br)CBr)ccc2c1 575358652 XIZLIGBBIIIKRJ-ZDUSSCGKSA-N 372.056 4.190 50 40 FIGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 2290666 KWADHLWTWFZJSD-GHXNOFRVSA-N 361.279 4.159 50 40 FIGB C/C(=N\NC(=O)c1ccccc1Br)c1ccc(Cl)s1 4524560 KHERJCJLHDPUGS-LZYBPNLTSA-N 357.660 4.318 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OC 408896209 QIEUADKJSSQTAX-KEBDBYFISA-N 367.232 4.165 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)o1 409032232 LVHVQNUKHRYRCR-YDZHTSKRSA-N 357.413 4.355 50 40 FIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1Cl 793954 MSKHSEHYZJVOBG-SRZZPIQSSA-N 373.243 4.251 50 40 FIGB CCOc1ccc(NC(=S)C(C#N)=C2N(C)c3ccccc3N2C)cc1 2634438 RWJCVSNJNXXGAW-UHFFFAOYSA-N 364.474 4.146 50 40 FIGB CCCCC(=O)Nc1cccc(C(=O)N/N=C\c2c[nH]c3ccccc23)c1 32123448 WMRFRYAGSQZADA-UCQKPKSFSA-N 362.433 4.061 50 40 FIGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)C2=C(O)CCCC2=N1 104141195 GWVUMWIKLZWDQH-GOSISDBHSA-N 368.458 4.171 50 40 FIGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408789552 KAPNPGNWIZQXFG-UKTHLTGXSA-N 372.211 4.441 50 40 FIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1 408819562 ZIZGHKOPVNRGAQ-GYZOOYGHSA-N 352.409 4.226 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)cc1 4590970 USPXTIUDSCFOST-WJDWOHSUSA-N 366.417 4.037 50 40 FIGB Cc1c(C(=O)NNC(=O)c2ccccc2F)oc2c1ccc1ccccc12 7957618 SGFBDFITRKCZGH-UHFFFAOYSA-N 362.360 4.108 50 40 FIGB CCc1ccccc1NC(=O)C/C(C)=N\NC(=O)c1ccccc1Cl 14923316 NZAURJKZWGMUIN-XKZIYDEJSA-N 357.841 4.037 50 40 FIGB CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)cc1 96669591 ZBPYANFJMMVFJG-PGMHBOJBSA-N 360.457 4.266 50 40 FIGB Cn1c(SCCCCl)nnc1-c1cccc(C(F)(F)F)c1F 228976155 UXOYGHFEIURZAN-UHFFFAOYSA-N 353.772 4.361 50 40 FIGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(-n2cccc2)c1 409103591 COBPGHHYSIXSBQ-HMAPJEAMSA-N 367.836 4.293 50 40 FIGB CCn1c(C)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21 409374187 YIOZJVIQFKEVEP-LPYMAVHISA-N 353.853 4.316 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1Cl 3077096 KNYSUKRDZHNVSI-SSDVNMTOSA-N 368.820 4.036 50 40 FIGB O=C(CCC(=O)NN=C1CCCCCCC1)NN=C1CCCCCCC1 5897275 FAMIGBPWDFCELK-UHFFFAOYSA-N 362.518 4.200 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc(OC)c1O 23612231 UCRJKGLUQFOJLY-KPKJPENVSA-N 371.343 4.218 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1OC 40139947 QGKJXGFUPHLUCA-MDWZMJQESA-N 350.349 4.114 50 40 FIGB N#C/C(C(=O)CSc1ncccc1Cl)=C1\Nc2ccccc2S1 45104287 MWAKHWFTLBMFGU-GDNBJRDFSA-N 359.863 4.349 50 40 FIGB O=C(Cl)[C@H]1CC(=O)N(c2ccccc2-c2nc3ccccc3s2)C1 45886943 IKDGNLZGCODFGL-NSHDSACASA-N 356.834 4.082 50 40 FIGB CCc1ccc(-c2nc3cc(N4C[C@H](C(=O)Cl)CC4=O)ccc3o2)cc1 57327062 UPOALMBYTBLOTF-CQSZACIVSA-N 368.820 4.176 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 59335024 RRUIWHGHSCHKKB-SFQUDFHCSA-N 372.380 4.499 50 40 FIGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1 408586023 AMYXMTRFENEWDG-SRZZPIQSSA-N 368.776 4.062 50 40 FIGB COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408549622 VVGBHRQKKXDUMT-ZROIWOOFSA-N 356.809 4.211 50 40 FIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408820684 YBDBDDSPKRNGKE-ZWSXMNCCSA-N 372.808 4.120 50 40 FIGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)NC[C@@H]1CCCO1 2807498 YITUHTYVQNEUSY-BIRYMOPTSA-N 356.425 4.195 50 40 FIGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)Cc2ccccc2)cc1OC 6357653 LEKVJTKDVNVTMG-CYGNYLSHSA-N 374.868 4.219 50 40 FIGB COc1ccc(Cl)cc1/C=N/NC(=O)c1cc2ccccc2cc1OC 6406300 URJXVLNCTOBUBQ-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)C(C)(C)C)cc1OC 6510310 FALOBGORCDYVLC-KPKJPENVSA-N 366.255 4.379 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(C)C 20885572 IPIXTEGVDKECJL-GZTJUZNOSA-N 350.418 4.337 50 40 FIGB O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(O)c(Cl)c1 32740049 JSSZFMOUZQLVLL-UHFFFAOYSA-N 352.821 4.397 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 83261004 BZGBTWAOPCPBED-RVDMUPIBSA-N 355.777 4.029 50 40 FIGB COc1cccc(/C=N\NC(=O)Nc2cccc(C)c2C)c1OC(C)C 409020846 URMURTCVINXGIF-MTJSOVHGSA-N 355.438 4.255 50 40 FIGB C=CCn1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21 409366478 VFYDORTZQOQIPV-FSJBWODESA-N 366.852 4.043 50 40 FIGB COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)c2ccccc12 811274 XFJIQFZNKFEKJX-WSDLNYQXSA-N 368.820 4.031 50 40 FIGB BrCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 81195071 KZHLEWAWYQVZKH-UHFFFAOYSA-N 371.258 4.108 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2O)cc1 408743620 BOFSYQPMAKZPBS-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 409220519 AYGCNOFWJDMUHA-STZPCZCHSA-N 371.440 4.270 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccccc2OCC)cc1 1912789 CPNMOFYNKNIWBS-SAPNQHFASA-N 351.402 4.387 50 40 FIGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(N(C)c2ccccc2)cc1 3193808 LIEUBMUBFAWNEK-LFVJCYFKSA-N 373.456 4.292 50 40 FIGB Cn1c(/C(C#N)=C/c2cccc(NC(=O)C(F)(F)F)c2)nc2ccccc21 12758060 ZBKUAIMQOOOOTD-UKTHLTGXSA-N 370.334 4.138 50 40 FIGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccncc3)cc21 208252825 FUNHYXOEVZCIQW-ZXCVBSDHSA-N 370.884 4.221 50 40 FIGB CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 226762876 JAYUIQQIVHVRFY-GOSISDBHSA-N 372.424 4.309 50 40 FIGB Cc1cccc2cc(/C=N/NC(=O)CSc3ccccc3)c(Cl)nc12 408729026 XBKPKXOUOOJJSI-SRZZPIQSSA-N 369.877 4.439 50 40 FIGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 408856375 HWPQQLBLKMFKPI-ZVHZXABRSA-N 360.461 4.124 50 40 FIGB Cc1c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc2n1C 409265727 OFKNJFGINUWLDH-BUVRLJJBSA-N 361.489 4.477 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(O)c1 409392831 SHWAWJBSYDGMJJ-SRZZPIQSSA-N 370.792 4.078 50 40 FIGB C#CCOc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1 2162392 XFSMSPSMAXCNGK-BUVRLJJBSA-N 368.392 4.362 50 40 FIGB C[C@]12CC[C@@H]3[C@H](C[C@@H](Cl)[C@@]4(Cl)C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 4104643 BCXBBIBUUYCTPJ-HHYMBAITSA-N 361.353 4.330 50 40 FIGB biogenic,in-vitro N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 33881579 MWTTXNYWCDYFKC-PTNGSMBKSA-N 360.329 4.358 50 40 FIGB CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCOc2c(Cl)cccc21 95468998 LXVNMPBTJDXWAO-WCQYABFASA-N 360.679 4.089 50 40 FIGB Cc1cccc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)c1 408954767 UZIBXZVOWUUGHC-JCMHNJIXSA-N 361.449 4.007 50 40 FIGB C[C@@H](Br)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2577643 PCESRJVCFUAIBU-RXMQYKEDSA-N 364.083 4.446 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 3082746 CJEMCZBQSSJSRU-YIRPMMGJSA-N 354.475 4.023 50 40 FIGB COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1)CCCC2 6181611 NWABYYWFPGHOAB-GZTJUZNOSA-N 350.393 4.259 50 40 FIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)cc1 7383978 NYOZSWOOQOQPMI-CIAFOILYSA-N 362.260 4.358 50 40 FIGB C[C@H](Cl)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1 20131968 LSONRFXDUVCBDA-BYPYZUCNSA-N 354.056 4.278 50 40 FIGB O=C(CSCc1ccccc1)N/N=C/c1c(Cl)cccc1Cl 20248154 NVPFMYDIAOLOJP-DJKKODMXSA-N 353.274 4.377 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OCC)c1O 59250537 YAPMONHAFYPBHI-PDGQHHTCSA-N 362.429 4.374 50 40 FIGB Cc1c(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc2n1C 1305169 SJVODWNETSRSME-AFUMVMLFSA-N 370.456 4.202 50 40 FIGB CCOC(=O)N/N=C(/C)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 4144986 RNTYFFHMKNFYDS-MTJSOVHGSA-N 359.813 4.062 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1[C@@H]2CCCC[C@@]21C 4551007 XZWPSJQITJDOLR-IOTWFPJFSA-N 360.457 4.128 50 40 FIGB C=CCc1cc(/C=C(/C#N)c2ccc(F)cc2)cc(OC)c1OCC(=O)O 59249573 FXHBJHUUSOWRLK-YVLHZVERSA-N 367.376 4.090 50 40 FIGB CC(C)/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccccc1 408534593 WDVXNHRYKIDKON-XIEYBQDHSA-N 363.383 4.294 50 40 FIGB CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408604084 SGWVACRRGSZGAT-XOAFGZPJSA-N 350.418 4.418 50 40 FIGB CC1(C)Cc2cc(/C=N\NC(=O)Cc3cccc4ccccc34)ccc2O1 408710646 BYEMSJLWKOTYJL-IWIPYMOSSA-N 358.441 4.246 50 40 FIGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1 409258596 UVLWEEVKHPWZCL-FYJGNVAPSA-N 369.421 4.055 50 40 FIGB CSc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 5539954 OZWDTCODGLXTPC-KEBDBYFISA-N 362.882 4.208 50 40 FIGB CNc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1[N+](=O)[O-] 44027087 TXECFZHQKACDFH-WUXMJOGZSA-N 364.336 4.047 50 40 FIGB CCc1ccc(-c2nc3cc(N4C[C@@H](C(=O)Cl)CC4=O)ccc3o2)cc1 57327064 UPOALMBYTBLOTF-AWEZNQCLSA-N 368.820 4.176 50 40 FIGB CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc12 409246147 FSAXZJWYPFBODQ-UCQKPKSFSA-N 350.393 4.070 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCCCC2)o1)c1cc2ccccc2o1 654839 KCANKDOGSJOVKN-KGENOOAVSA-N 351.406 4.170 50 40 FIGB CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2)/C(=C\c2ccccc2)C1 13129977 MQLMQPAZKQROAZ-QUYTYNJFSA-N 369.468 4.167 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(Br)cc2)cc1 33346875 DZOQUROEMDVABD-YBEGLDIGSA-N 362.248 4.096 50 40 FIGB C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2n1C 96222330 WKWIVURMNPHYGU-KBPBESRZSA-N 363.552 4.465 50 40 FIGB biogenic C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)CCC(=O)Nc2ccccc2Cl)C1 4698848 UJKXPMGZUYQULT-VKWHMPGMSA-N 373.884 4.463 50 40 FIGB COc1ccc(-c2noc(-c3ccccc3NC(=O)CCCCl)n2)cc1 22463280 UMXUAYAPYKPJJF-UHFFFAOYSA-N 371.824 4.370 50 40 FIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(SC)cc2)cc1 1320036 ISIJIXFUZIFZNO-PCXKXAPESA-N 356.491 4.451 50 40 FIGB Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 1431067 HAYGBWIOZNQMIG-WSDLNYQXSA-N 368.820 4.438 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)cc2)cc1 1452676 YADXGEOJYLPFAJ-SDXDJHTJSA-N 363.461 4.477 50 40 FIGB CCOC(=O)c1sc(NC(=O)c2cccs2)c(SC#N)c1C 7345676 AKAFEMZREVMSSD-UHFFFAOYSA-N 352.462 4.120 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccn1 1310289 LEPGMTSPMMGHSE-FOKLQQMPSA-N 359.307 4.124 50 40 FIGB C[C@@]12CC[C@@H](c3nc4ccccc4nc31)[C@@]2(C)CI 4227986 TVZHYSHWUAPAPP-AMKSKSKJSA-N 364.230 4.220 50 40 FIGB CCOc1ccccc1/C=N\NC(=O)C(c1ccccc1)c1ccccc1 35025918 AHUJDYSRSXZYFD-ULJHMMPZSA-N 358.441 4.368 50 40 FIGB Cc1ccccc1CSCC(=O)N/N=C/c1c(O)ccc2ccccc12 408785278 VSZOAHNUQKWDSW-WSDLNYQXSA-N 364.470 4.237 50 40 FIGB COc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 2807569 YLAAQKDBGHDIBA-DTQAZKPQSA-N 373.412 4.040 50 40 FIGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1C 9200630 WVVRDKJEJFBCLB-UDWIEESQSA-N 373.250 4.086 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 15219854 UNLMXFNVEXKONE-ATVHPVEESA-N 350.418 4.202 50 40 FIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnc(C(C)(C)C)nc2)c1C 98055347 QEPKMPRIEVIFKW-LICLKQGHSA-N 365.481 4.148 50 40 FIGB O=C(Cc1cn2ccsc2n1)N/N=C1/CCCC[C@@H]1C1CCCCC1 103459790 CSSSZCMCQOSXKJ-ZKCWRFQVSA-N 358.511 4.181 50 40 FIGB CCCOC(=O)c1c(NC(=O)CCCCl)sc2c1CC[C@H](C)C2 2084450 ANBCJKIOEXNNMW-NSHDSACASA-N 357.903 4.397 50 40 FIGB O=C(N/N=C/c1ccc(Sc2cccc3cccnc23)o1)c1ccco1 3092277 NRQMYECQXXLEJO-CIAFOILYSA-N 363.398 4.336 50 40 FIGB CC[C@@H](C)c1ccccc1OCCOc1cccc(/C=N/NC(=O)OC)c1 4525990 FVUMRBUXYORWEZ-QFNCUCFLSA-N 370.449 4.348 50 40 FIGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(S)N1 4870241 FNYGYGRLPIPMJD-MRXNPFEDSA-N 353.472 4.013 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1OC 7210410 WSWKSDOHESGXMW-NTEUORMPSA-N 356.809 4.211 50 40 FIGB CCC/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 13786131 VFJKZOHGDPDQQP-LVWGJNHUSA-N 372.468 4.243 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 20248912 NZUJWPAMSKOQKB-RGVLZGJSSA-N 371.462 4.102 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCc1cccnc1 26966223 FVYWAYZBHAREAH-MHWRWJLKSA-N 363.804 4.218 50 40 FIGB COc1ccc(/C=C/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1 38170886 GEBIRMSSNWNDFQ-ZBKFZYAXSA-N 360.413 4.286 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 5431670 HCWDNXOOIAOBIL-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)OCC)o2)cc1 6323233 IKNWGGMEEKSGHG-LGMDPLHJSA-N 367.401 4.374 50 40 FIGB CN(NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1 8394821 ZJQXJJJYCYIGHZ-UHFFFAOYSA-N 374.469 4.382 50 40 FIGB CC1=C(Cl)C(=O)[C@](C)(Cl)[C@@H](Cl)/C1=N\C(=O)c1ccc(C)cc1 16779939 UXIHZFQSBZZYTN-LRYIPADVSA-N 358.652 4.277 50 40 FIGB COc1ccc([C@H]2C(C#N)=C3SCCN3C3=C2C(=O)CC(C)(C)C3)cc1 95117469 CVFNBQZJUZAZPK-SFHVURJKSA-N 366.486 4.220 50 40 FIGB N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)C(=O)Nc1ccc(O)cc1 409376447 ATIYIPQQEKMHGL-PTNGSMBKSA-N 355.353 4.070 50 40 FIGB Cc1ccc2[nH]c(C(=O)N/N=C/c3ccc(Br)cc3)c(C)c2c1 1510195 OVWZIAOCWFTVEJ-KEBDBYFISA-N 370.250 4.311 50 40 FIGB CCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 3080561 GPPBTDHOISDMEX-HYARGMPZSA-N 355.413 4.108 50 40 FIGB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N)OCCO3 253619764 OOLWTOWNVAYEQM-NTHNXFDUSA-N 359.510 4.027 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc12 408746245 CWGZFYMOXVSCEB-RGEXLXHISA-N 356.425 4.462 50 40 FIGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(NC(=O)c2cccs2)cc1 5532875 FWCAHFFAVVQMGX-CIAFOILYSA-N 367.430 4.056 50 40 FIGB N#C/C(=C\c1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCC2 34720783 ATRTWYWFSBCOPK-UKTHLTGXSA-N 351.406 4.183 50 40 FIGB CO[C@H](C(=O)N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1 59382507 PENSULLXGUHZFR-UYSKRRQASA-N 360.413 4.317 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(OC)c1O 408795777 NBSALGAINKRLRD-LDADJPATSA-N 362.429 4.237 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408799300 YUAVFLQETPTDJW-JXMROGBWSA-N 350.205 4.198 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)cc1Cl 409053210 MYAPCTFLHMDJCA-FBCYGCLPSA-N 357.624 4.425 50 40 FIGB COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(OC)c1 694347 NATUNDMISLRSHJ-YDZHTSKRSA-N 374.396 4.367 50 40 FIGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 1429091 NBAKDKMYKOPWIW-UHFFFAOYSA-N 373.412 4.166 50 40 FIGB N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C(F)(F)F)c1 3185985 QGYLLPZPHDLQHZ-MDWZMJQESA-N 374.318 4.022 50 40 FIGB COc1ccc2cc(/C=C(\C#N)S(=O)(=O)c3ccc(F)cc3)ccc2c1 7058740 ICYHDRANTADOMM-RGVLZGJSSA-N 367.401 4.326 50 40 FIGB Cc1ccsc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1 33375791 KGMUJUFJGFYNNS-BKUYFWCQSA-N 350.443 4.253 50 40 FIGB CCc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3o2)cc1 59417061 ALSPFLJEPBJTNE-FYJGNVAPSA-N 353.447 4.023 50 40 FIGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccccc2OC(C)C)cc1 216068661 AZKODEHQPWXTNI-CJLVFECKSA-N 354.450 4.417 50 40 FIGB O=C(N/N=C\c1ccccc1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408728491 NIEHYYIHSMZGID-CFRMEGHHSA-N 359.404 4.110 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccnc1 847906 WMVJINFMOXDOJE-UFFVCSGVSA-N 360.200 4.412 50 40 FIGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc2ccccc2cc1O 4502810 XUOXVVPKTGSPAM-FOKLQQMPSA-N 358.319 4.328 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1 5309442 YLJIEYXOWLUIIJ-KGENOOAVSA-N 356.491 4.249 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCC 8812418 MJOLXQWOSUWGPK-SRZZPIQSSA-N 364.804 4.040 50 40 FIGB Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CCCCCCC2)c1Cl 21705202 FVCUWSZDCHKTGT-UHFFFAOYSA-N 363.676 4.454 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OC(C)C 23723778 WGYYCQKRLHEUDU-KFSXAOBBSA-N 356.466 4.084 50 40 FIGB C[n+]1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 102585903 NAMYQVJZCTXNSX-UHFFFAOYSA-N 369.428 4.320 50 40 FIGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 408542690 NETLGKRPAHORHT-SXGWCWSVSA-N 367.788 4.123 50 40 FIGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408935084 GLYNJJRGUWSWNU-YBEGLDIGSA-N 350.805 4.206 50 40 FIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 409220518 AYGCNOFWJDMUHA-JFPYRBRCSA-N 371.440 4.270 50 40 FIGB Cc1ccccc1N1C(N)=C(C#N)[C@H](c2ccc(F)cc2)C2=C1CCCC2=O 1064867 IBKXGFLKSJPOPR-NRFANRHFSA-N 373.431 4.439 50 40 FIGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(N)=O)cc1C 408873715 VCKFQSOCSGAQCA-XDHOZWIPSA-N 356.425 4.428 50 40 FIGB COc1ccccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 1930469 QMOUHHPYBPHLHV-GXDHUFHOSA-N 363.442 4.053 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1 3082748 CJEMCZBQSSJSRU-ZFMLPXDISA-N 354.475 4.023 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1Cc1ccccc1 6418862 MMBUNRWJBILWFT-MOSHPQCFSA-N 371.440 4.405 50 40 FIGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 59117415 KBHSAMSDONNYER-WDZFZDKYSA-N 362.172 4.447 50 40 FIGB O=C(N/N=C/c1cccnc1)c1ccc(CSCc2ccccc2)cc1 59473623 XFPFEPXZSSVJKI-OEAKJJBVSA-N 361.470 4.279 50 40 FIGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](O)(C#N)[C@@]4(C)CC[C@@H]32)C1 118917328 MUZZVNREAYPPFE-FAWMDMTCSA-N 357.494 4.136 50 40 FIGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccccc1F 409122338 YBFWFHGPQXDGOR-BUVRLJJBSA-N 363.436 4.316 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 711952 JIOAYVBWIBZBLX-YBFXNURJSA-N 361.239 4.000 50 40 FIGB COC(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 2374861 PGEKMTMJPXDXRL-DJKKODMXSA-N 353.205 4.262 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1 408776373 ZNHYTAZIILOWCP-ATVHPVEESA-N 350.418 4.418 50 40 FIGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccccc1Cl 409235001 ALPMDWGDGYTPQR-HYARGMPZSA-N 371.868 4.103 50 40 FIGB NC(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409383843 KJOONQOIHDGWBS-SSDVNMTOSA-N 353.809 4.074 50 40 FIGB Cc1cc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)c(C)s1 5130378 OJBVDNFGORCWTH-HNNXBMFYSA-N 366.421 4.112 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 5361814 QKSGAEYTAZHJBV-CIAFOILYSA-N 354.793 4.373 50 40 FIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(C(=O)O)cc3)sc2c1 408969093 HHPSFZKSWJCFHK-UKWGHVSLSA-N 372.833 4.325 50 40 FIGB O=C(N/N=C/c1cc(Cl)ccc1O)c1cc(C2CC2)nc2ccccc12 694837 OUTMUEPLCRBOET-SSDVNMTOSA-N 365.820 4.235 50 40 FIGB CCOc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 714623 TTWQCQNOAIEVIO-CIAFOILYSA-N 356.491 4.086 50 40 FIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1Cl 1434567 XNICGUJUQQRDQK-UFWORHAWSA-N 357.624 4.176 50 40 FIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 1444735 GDZIGZUTPLUVHO-LFVJCYFKSA-N 366.424 4.303 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 5480110 QLJVUDNHZNIPSC-KEBDBYFISA-N 367.232 4.165 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 5718812 CXJADKKPLSLNDU-GZTJUZNOSA-N 350.418 4.256 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 59473643 HTBUCMDUTOXSTD-LPYMAVHISA-N 370.518 4.476 50 40 FIGB Cn1c(SCCCCl)nnc1-c1ccc(C(F)(F)F)cc1F 228915663 FYUGYWWZOKSMKM-UHFFFAOYSA-N 353.772 4.361 50 40 FIGB CC(C)(C)Oc1ccc(C(=O)[C@@H](Br)CBr)cc1 575357755 NWDDRKMLUROGOP-NSHDSACASA-N 364.077 4.205 50 40 FIGB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CCl 3277961 ZZXWJGUIQBNIEQ-UHFFFAOYSA-N 351.855 4.386 50 40 FIGB C=CCOc1ccc(C(=O)N/N=C(C)/C=C/c2ccc(OC)cc2)cc1 5222490 FFMCIBVEHMCZKD-DDSQIDKLSA-N 350.418 4.079 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(Cl)cc1 5638640 PHLKZXWVRQYIDS-YBFXNURJSA-N 365.658 4.185 50 40 FIGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(Br)cc1 13965541 BRYQZWFFSUNEHV-MHENUPEQSA-N 357.251 4.093 50 40 FIGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccno1 96884076 KPUGIDPVRFDGNF-WQRHYEAKSA-N 353.385 4.046 50 40 FIGB COC(=O)c1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408974129 XMTJKLISLJJAOW-NTEUORMPSA-N 374.318 4.038 50 40 FIGB CC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1c[nH]c2ccccc12 2750388 FBBMZNSLLDTQHK-QQZPLFJDSA-N 354.841 4.162 50 40 FIGB CC[C@@H](C)c1ccc(OCCOc2ccccc2/C=N/NC(C)=O)cc1 4499472 XKRHZZUGKDXSHO-QFNCUCFLSA-N 354.450 4.128 50 40 FIGB C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 12362189 SPLWHTCAIACZRJ-OYKKKHCWSA-N 374.469 4.349 50 40 FIGB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 14824282 UVAVCFITBGVFTC-UHFFFAOYSA-N 360.584 4.312 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCCC2)cc1 100224838 FEBPUFDVCDWDKZ-WQRHYEAKSA-N 367.456 4.295 50 40 FIGB CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)c1 408747309 LXSSMZYYGQJNFN-MOSHPQCFSA-N 370.408 4.373 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(OC)c2)cc1 408871712 ZGXDPIYXACCGPV-RIYZIHGNSA-N 356.809 4.293 50 40 FIGB Cc1ccc(NC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)c(C)c1 408962580 ZMMAWDRWTWGSIK-HMAPJEAMSA-N 350.466 4.368 50 40 FIGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)c(C)c1 4115318 NAJDSSAHZKFEET-QGZVFWFLSA-N 360.392 4.051 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1cccc(Br)c1 4724591 OLGUCLGPGSHDAJ-YBFXNURJSA-N 365.658 4.185 50 40 FIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)o1 408718607 IWPMHCVIJMZOGO-OCKHKDLRSA-N 373.752 4.174 50 40 FIGB CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)o2)cc1 409375150 GHTOVBKEZNPWDR-ATVHPVEESA-N 372.380 4.400 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 2730189 KHUSRKHWCSHQEP-SFQUDFHCSA-N 372.380 4.499 50 40 FIGB CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2sccc2C#N)cc1 6627381 YACRSTACKMFEJU-CXUHLZMHSA-N 373.441 4.118 50 40 FIGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 35323979 KSHCYSAGLMGZSU-MRXNPFEDSA-N 360.244 4.278 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H]2[C@H](Br)[C@@H]1Br 96171591 USULQEPPCHUSBL-XFWSIPNHSA-N 371.978 4.358 50 40 FIGB Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cc2c(nc3sccn32)s1 103509932 ADNQQBIQWYARHF-UHFFFAOYSA-N 373.415 4.355 50 40 FIGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408792501 KHPSJFNNOVEVTR-UKTHLTGXSA-N 372.211 4.441 50 40 FIGB C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1 1421561 MQDZBLIMAKARIZ-CYGNYLSHSA-N 352.821 4.411 50 40 FIGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccccc1Br 3232347 AUBBZDSHTUMWJD-FMIVXFBMSA-N 366.218 4.476 50 40 FIGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccc(C)cc1 4697833 NUTKOTAACQOJEC-LFVJCYFKSA-N 363.461 4.008 50 40 FIGB N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@@H]1c1ccccc1 4923170 UESQJBUUKLBFCV-OAHLLOKOSA-N 365.433 4.045 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 20786937 ZWXOSLZTCBLNHA-GXDHUFHOSA-N 359.351 4.317 50 40 FIGB CC1(C)[C@]2(C)CC[C@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)C2=O 225805116 PHVPPHYVLNGOEG-MAZHCROVSA-N 352.228 4.005 50 40 FIGB N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 1320702 ZHAVRYPPCVMVSJ-UHFFFAOYSA-N 354.196 4.341 50 40 FIGB O=C(CCBr)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1736265 SMZHOMQKBLSOFI-UHFFFAOYSA-N 366.642 4.295 50 40 FIGB CC[C@H](Nc1cccc(Br)c1)C(=O)NN=C1CCCC[C@H]1C 5737206 NEPRCGZIZAZBAP-DOMZBBRYSA-N 366.303 4.322 50 40 FIGB N#Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(F)cc3)c2)cc1 8812343 VXJCUTZAWCWQKK-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB COC(C)(C)CCOc1ccc2nc(NC(=O)[C@H](C)Cl)sc2c1 20132122 LZMKALXJODKIFE-JTQLQIEISA-N 356.875 4.056 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 1058460 JMYDAYCMUAEHBS-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB COC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2751388 UFDZQBOBISOMMW-OQLLNIDSSA-N 357.793 4.008 50 40 FIGB O=C(CCl)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCC2 4184999 KSVSLKYLUZHXRW-UHFFFAOYSA-N 354.258 4.299 50 40 FIGB BrC/C(=N\N1CCCCCC1)c1ccc(Br)cc1 5052773 DYRFLMZCUAQFDS-SAPNQHFASA-N 374.120 4.424 50 40 FIGB CC(C)(CCl)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136222 AHLLLURXYXZVRV-UHFFFAOYSA-N 360.841 4.076 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1Cl 5206272 JZBYLRLWNTUBMO-ZROIWOOFSA-N 356.809 4.293 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OC 6945115 ZEAXMIIKYPPHEI-BOPFTXTBSA-N 350.418 4.256 50 40 FIGB O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1cccnc1 15989507 CDPRBLVJHZVXCH-QRVIBDJDSA-N 365.820 4.078 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 408961318 RKFAIACJUKINFH-CIAFOILYSA-N 362.260 4.358 50 40 FIGB COc1cc(C)c2c(c1)CCC/C2=N\NC(=O)CSc1ccccc1C 713246 GRFJGCXGGOSFQN-RELWKKBWSA-N 368.502 4.261 50 40 FIGB C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(C)c([N+](=O)[O-])c1 6052315 JPBKJQBMWFPDOC-UTMALSRFSA-N 371.462 4.244 50 40 FIGB COc1ccc(CCCC(=O)N/N=C\c2c(Cl)cccc2Cl)cc1 13382083 RPYRJFGHYONKDF-MTJSOVHGSA-N 365.260 4.475 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c(C)c1 21555148 KVYJTOAUPSQSRW-CGOBSMCZSA-N 371.655 4.005 50 40 FIGB O=C(Cl)[C@H]1CC(=O)N(Cc2ccc(-c3nc4ccccc4s3)cc2)C1 45886896 VCAJFXSQCHNEJS-AWEZNQCLSA-N 370.861 4.077 50 40 FIGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 1501190 NWUPYVHWUNQLNB-KGENOOAVSA-N 361.357 4.151 50 40 FIGB O=C(N/N=C/c1ccc(Br)s1)C12CC3CC(CC(C3)C1)C2 3909346 XGMRGIKTJGRVSV-GIJQJNRQSA-N 367.312 4.177 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 5712771 YKKRAWPJROMUSF-UKTHLTGXSA-N 371.780 4.193 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1 5718019 UCNLAFXMURUZOU-RVDMUPIBSA-N 354.793 4.062 50 40 FIGB C[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccnc2)/C(=C/c2cccnc2)C1 19796890 ZOFNDSWLZTZBCP-LJJYASAVSA-N 356.429 4.052 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCC(C)C 59534263 GASKGZNQRMMECP-CXUHLZMHSA-N 370.474 4.015 50 40 FIGB CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 95468996 LXVNMPBTJDXWAO-DGCLKSJQSA-N 360.679 4.089 50 40 FIGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NC3CCCC3)o2)cc1[N+](=O)[O-] 409189237 NMJDFEGEEDSMEL-GDNBJRDFSA-N 365.389 4.129 50 40 FIGB COc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(O)c1 409391435 JHTHYUAKZQYSRG-ZVHZXABRSA-N 370.408 4.471 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1 1211933 GOEYGBVTJDGRBR-GXDHUFHOSA-N 370.250 4.061 50 40 FIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1ccccc1-n1cccc1 4083838 WTXRXAHFRORNLJ-HAVVHWLPSA-N 354.413 4.032 50 40 FIGB C[C@@H]([C@@H](c1ccccc1)[C@H](Br)C(=O)c1ccccc1)[N+](=O)[O-] 4409349 YLGKZGRDOXHCOU-RCBQFDQVSA-N 362.223 4.082 50 40 FIGB CCc1ccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 5318297 MIRHNKAJBHCZSN-XIEYBQDHSA-N 372.468 4.025 50 40 FIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1 5362347 MKNBSVPIROAZBQ-HWQJWEFDSA-N 363.280 4.080 50 40 FIGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3ccco3)cc21 208251637 FERIILXORMDRMD-WLQYJRLHSA-N 359.857 4.419 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cc3cc(Cl)ccc3nc2Cl)cc1 408728592 PITXPLYJSKQIHK-UFFVCSGVSA-N 374.227 4.314 50 40 FIGB C/C(=N\NC(=O)Cc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 408827687 GACNWOBLEICZRU-KOEQRZSOSA-N 371.440 4.022 50 40 FIGB Cc1ccc(-n2nc(C)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c2O)cc1C 4714450 UCVZGEDQIDQXOL-LFIBNONCSA-N 369.428 4.444 50 40 FIGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5379905 AYUBKOKNBLPTCM-RGVLZGJSSA-N 359.813 4.310 50 40 FIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc2c3c(cccc13)CC2 59436950 GKSUNDLIAAFNDF-FSJBWODESA-N 364.832 4.121 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OC 213090793 FNRJERKZZMWTFJ-ZSOIEALJSA-N 356.809 4.211 50 40 FIGB CC(=NNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 254736006 CPIVBDLDVWJSBV-UHFFFAOYSA-N 374.400 4.174 50 40 FIGB CCCCOC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 3159537 MLOMJMXDYFPLQE-NEPJUHHUSA-N 364.077 4.229 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 4814128 BARCCMAEFQLELP-JAIQZWGSSA-N 369.764 4.272 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1OC 5527274 QZIHVWQKNFDROA-HZHRSRAPSA-N 360.413 4.135 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 7157224 PGMGPEPWYISWPI-HUCUOGIVSA-N 362.429 4.044 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1O 13897450 NKXQIEVQLSDQFE-BPKVKKHESA-N 370.836 4.229 50 40 FIGB C[C@]12CC[C@@H](CC1=O)[C@@]2(C)CP(=O)(c1ccccc1)c1ccccc1 100015344 WGNZYPKNUMNPEW-BULFRSBZSA-N 352.414 4.396 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1 408719595 GXUBJTMVFKHTOJ-WASCAKKMSA-N 356.491 4.496 50 40 FIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)ccc1O 677935 BBLFHPVLEGDOSW-HXUWFJFHSA-N 358.397 4.162 50 40 FIGB COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1 948265 WEQUAKARJOPRSG-GZTJUZNOSA-N 350.418 4.373 50 40 FIGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N(C)C)o2)c(Br)c1 1053456 CBXPXHSUTJDWJD-FMIVXFBMSA-N 359.223 4.013 50 40 FIGB Cc1c(Cl)cccc1NC(=S)NNC(=O)c1oc2ccccc2c1C 2656920 QUZVTAMCZGAPNK-UHFFFAOYSA-N 373.865 4.334 50 40 FIGB O=C(N/N=C(\c1ccccc1)c1ccccn1)c1cc2ccccc2cc1O 6337262 VNIGJVIACWXWTC-YYDJUVGSSA-N 367.408 4.123 50 40 FIGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1 16411146 MSQUWOCITOFJBR-FYWRMAATSA-N 372.380 4.279 50 40 FIGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1F 35324252 FPWAWVBGNYFOMH-SFHVURJKSA-N 355.388 4.029 50 40 FIGB CC(C)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 408780207 VGIQRGSRRBTVJD-PGMHBOJBSA-N 359.473 4.066 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1cccc(Cl)c1 409200394 IMKGLJKWQQWNAM-NHDPSOOVSA-N 368.776 4.062 50 40 FIGB Cc1cccc(-n2nc(C(=O)NN)cc2-c2ccc(-c3ccccc3)cc2)c1 6217472 JQQRVXVXJFXBGL-UHFFFAOYSA-N 368.440 4.118 50 40 FIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccc(Cl)c(Cl)c1 20086229 YRNCYILKXNEDOH-OAHLLOKOSA-N 356.216 4.161 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2Br)c1 207823913 SITRSCQZJGBUSJ-LCYFTJDESA-N 357.207 4.003 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(O)ccc2ccccc12 830249 DECBZPKWORFMGC-ZVHZXABRSA-N 370.408 4.471 50 40 FIGB COC(=O)N/N=C/c1oc(-c2ccccc2)c(-c2ccccc2)c1[N+](=O)[O-] 1627768 PXLDZXDCESCFPH-UDWIEESQSA-N 365.345 4.212 50 40 FIGB CCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 2669640 GGSKGOKSVIYWKJ-WYMLVPIESA-N 354.362 4.495 50 40 FIGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 3251481 YQEYPMGIHKDKPX-OSICMAOHSA-N 353.765 4.350 50 40 FIGB N#C/C(=C\c1cccc(O)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 3299281 BDGCTZRDSFZDHJ-NTUHNPAUSA-N 354.214 4.037 50 40 FIGB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CCl 3454511 NADKLCXJMMWRRK-JKIFEVAISA-N 351.874 4.482 50 40 FIGB in-vitro Cc1cc(-c2nc3ccccc3s2)ccc1N1C[C@@H](C(=O)Cl)CC1=O 45886999 RKNGZFYDJFYMCW-ZDUSSCGKSA-N 370.861 4.390 50 40 FIGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(Cl)cc1 71411452 NQZAODNEBBSHBT-OAHLLOKOSA-N 366.829 4.133 50 40 FIGB Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1 408541722 HJRJLUQSNUGDBX-LGMDPLHJSA-N 371.396 4.030 50 40 FIGB C=CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21 408542094 GZJHDTQDGSCAHT-WJDWOHSUSA-N 371.396 4.071 50 40 FIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccnc2)c1C 408781167 AHUGERXLHVDGQQ-UNOMPAQXSA-N 356.429 4.343 50 40 FIGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408790209 VDBAYPQJDKCZQZ-DTQAZKPQSA-N 358.397 4.490 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 1106117 PGEWSRIXXVYZOT-YDZHTSKRSA-N 361.367 4.070 50 40 FIGB Cc1ccc2c(CC(=O)NNc3c(F)c(F)c(F)c(F)c3F)coc2c1 3349406 MYJHWAJYZLFTPX-UHFFFAOYSA-N 370.277 4.123 50 40 FIGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 5095244 LTMLHCUUJGTANH-SFHVURJKSA-N 372.428 4.002 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC 6050421 XJDRWCQEJSGRDN-JLKNBBFOSA-N 372.490 4.044 50 40 FIGB CCCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 30742698 IKJJIAPOURIHLQ-JCMHNJIXSA-N 362.433 4.020 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)c(C)c1 33699519 ZBWFKDGZSYNOLL-ATVHPVEESA-N 354.413 4.327 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1O 59249165 MDLHEMSRQUDZPN-PDGQHHTCSA-N 362.429 4.374 50 40 FIGB CCOc1ccc(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1 408711876 OPHRQDLJSMJTMJ-JAIQZWGSSA-N 351.233 4.085 50 40 FIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 409367867 IPOQGSGXNFHBPS-AFUMVMLFSA-N 368.440 4.157 50 40 FIGB COc1ccc2c(c1)C[C@H](C)C/C2=N\NC(=O)Cc1cccc2ccccc12 1435767 JTSZJTNHUYSOEN-QQKIIAJMSA-N 372.468 4.494 50 40 FIGB COc1ccc(Cl)cc1/C=N/NC(=O)COc1ccc2ccccc2c1 4544299 CMZRBDFLXXYGHT-WSDLNYQXSA-N 368.820 4.031 50 40 FIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 5952159 UZCMCSXPJMUEPA-VBKFSLOCSA-N 366.417 4.125 50 40 FIGB Cn1cc(/C=C(/C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cn1 17072786 GXTNJSPNZURYAJ-ZWSORDCHSA-N 350.491 4.409 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(=O)O)c2)c1 35074793 AGYUEXINEWRGBI-LGMDPLHJSA-N 371.396 4.030 50 40 FIGB CC(=O)N(C)c1nc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)cs1 98055251 RQKCPNBIZJGIRP-XNTDXEJSSA-N 367.474 4.213 50 40 FIGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(F)cc2)o1 408911206 JKLKLCVEUPVXIS-SSDVNMTOSA-N 372.783 4.268 50 40 FIGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc1OC 704841 OQPUMEYVUKPRSD-HXUWFJFHSA-N 358.397 4.075 50 40 FIGB COc1ccc2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)ccc2c1 2279545 LWLJJHIKJKMADD-ZVHZXABRSA-N 370.408 4.471 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(=O)O)c2)c1 4674143 AGYUEXINEWRGBI-GHRIWEEISA-N 371.396 4.030 50 40 FIGB N#C/C(=C\c1cc(Br)cs1)C(=O)c1ccc2c(c1)OCO2 96307382 RRRVQJSZQACHSY-XCVCLJGOSA-N 362.204 4.029 50 40 FIGB Cc1cccc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)c1 100868239 BKXQNFXEAWFQFH-KKXDTOCCSA-N 364.283 4.092 50 40 FIGB C/C(CCc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl 408774118 AVULHIDUFYJNLZ-FYJGNVAPSA-N 365.260 4.497 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1O 408787499 AZFZWNIGDKXKNT-VGOFMYFVSA-N 356.809 4.217 50 40 FIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1 408819561 ZIZGHKOPVNRGAQ-BRFSQIRFSA-N 352.409 4.226 50 40 FIGB CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 409367891 NIUMQHOHLKFNHF-LJQANCHMSA-N 361.445 4.443 50 40 FIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Cl)c2)cc1 1319704 BJDRWIDGQRBVCW-LVCXCXRVSA-N 374.868 4.391 50 40 FIGB O=C(CSCc1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 4595208 GOVZCQULFWDXQW-UFWORHAWSA-N 369.273 4.083 50 40 FIGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1cccc(C(F)(F)F)c1 12364091 PRJBGDGFYLVJNS-KSEXSDGBSA-N 358.319 4.328 50 40 FIGB CCP(OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1 100787055 PPYQNGZABNGKDD-UHFFFAOYSA-N 350.398 4.014 50 40 FIGB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1nc2ccc(F)cc2[nH]1 408567464 FBKSAFSCEXVZRO-UVTDQMKNSA-N 372.359 4.255 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1Cl 13546860 JZBYLRLWNTUBMO-NTEUORMPSA-N 356.809 4.293 50 40 FIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1 15012623 YLAAQKDBGHDIBA-SSZFMOIBSA-N 373.412 4.040 50 40 FIGB C[C@]12CC[C@@](O)(C#N)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253617425 LLOYXBYLIJXIJG-CDPKGHFDSA-N 359.510 4.027 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCCC1 409368491 YOZDWPWPIPNCCD-QGOAFFKASA-N 366.848 4.448 50 40 FIGB N#C/C(=C/c1ccc(C#N)cc1)c1ccc(I)cc1 409369689 VVUJSOCTRNIASS-DHDCSXOGSA-N 356.166 4.227 50 40 FIGB COc1ccccc1OCC(=O)N/N=C(\c1ccccc1)C1CCCCC1 6519477 GLPFOHXFKRPIII-ZNTNEXAZSA-N 366.461 4.175 50 40 FIGB COc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Cl 18271840 RHAVZWUCLYBCLX-AWNIVKPZSA-N 362.820 4.357 50 40 FIGB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(\C#N)C(N)=S 408543050 NDULTCTXCYCTKO-REZTVBANSA-N 352.503 4.356 50 40 FIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)SCCS1 409263856 MYLRWHUQVDAPPK-DEDYPNTBSA-N 374.531 4.275 50 40 FIGB Cc1ccc(O[C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 943279 GBPZGOFSBFAHCG-HMASQMOLSA-N 351.233 4.219 50 40 FIGB CCOC(=O)[C@@H](Br)[C@H](Br)c1cccc(Cl)c1 1602072 WNCYAUFQFCRXFD-ZJUUUORDSA-N 370.468 4.103 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1 4306530 OSLUJXRAUGRGQN-FKARIMHRSA-N 364.401 4.125 50 40 FIGB Cc1c(CC(=O)N/N=C/c2cccnc2)c2ccccc2n1-c1ccccc1 12345921 UPQGYGBKVCSUAP-PCLIKHOPSA-N 368.440 4.027 50 40 FIGB N#C/C(=C/c1ccc(OCc2cscn2)cc1)C(=O)Nc1ccccc1 42665422 UVIXDVPDYVJFDB-YBEGLDIGSA-N 361.426 4.268 50 40 FIGB COc1ccc(N2C(=N)C(C#N)=C(c3ccccc3)CC2=C(C#N)C#N)cc1 100947117 PUPMJZYWGJRONJ-UHFFFAOYSA-N 365.396 4.161 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccn3)c2C)cc1 409233717 HMHCRYFPQGAGQI-AQTBWJFISA-N 372.428 4.043 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(OC)c1O 3570447 PDLQTQJXHWNEPT-MHWRWJLKSA-N 374.396 4.108 50 40 FIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1c(Cl)cccc1Cl 6209904 WAAOZOSHQLFIJL-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB COc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1OC(F)F 12748041 NAQXQTQZPVZJBI-XYOKQWHBSA-N 369.327 4.010 50 40 FIGB Cc1ccccc1NCC(=O)N/N=C\c1cccc(OCc2ccccc2)c1 30702450 CPEBVZLYCVSWDY-MYYYXRDXSA-N 373.456 4.136 50 40 FIGB CN(C)c1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1 33303815 YHTXNRWVUFOQED-ULJHMMPZSA-N 357.457 4.035 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)cc1 59678492 RHUIRJDRRLIQPP-ICFOKQHNSA-N 357.413 4.422 50 40 FIGB CC(C)OC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 72235933 JQFPMGXQGYFONH-MOSHPQCFSA-N 371.440 4.457 50 40 FIGB CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408541478 GLOZBONBZKKEHC-JXAWBTAJSA-N 357.413 4.306 50 40 FIGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1ccccc1 409141946 JSTFWKNHLOOHGB-JOCHJYFZSA-N 370.408 4.189 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1OC 409204080 AOHFCCXEXDGJKA-LFIBNONCSA-N 370.474 4.159 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1O 7156236 ASEQSCAOCPKWIY-KPKJPENVSA-N 360.772 4.129 50 40 FIGB O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccs1 2283876 HIIXDMLBMFAIKS-UHFFFAOYSA-N 371.270 4.344 50 40 FIGB COc1ccc(-n2cccc2/C=N/NC(=O)Nc2ccc(C)cc2C)cc1 4712092 XQGWMTUNZKOHFT-HYARGMPZSA-N 362.433 4.258 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)ccc1Cl 5379182 MIECQIZTAACJCH-DNTJNYDQSA-N 371.651 4.484 50 40 FIGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1Cl 6647300 ZPQGMLCQOFJDSQ-WSDLNYQXSA-N 368.820 4.031 50 40 FIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1 408785135 YVTVYEFWQXMRDL-AQTBWJFISA-N 360.413 4.031 50 40 FIGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCC(C)C)oc12 408971186 DBUDOCNAUJBUJM-WSDLNYQXSA-N 366.417 4.240 50 40 FIGB CC(=O)Oc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 659621 FZCZZABZCQZPPO-YDZHTSKRSA-N 372.380 4.275 50 40 FIGB N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 705717 JCXDOFLLTQMHJP-GOSISDBHSA-N 365.433 4.192 50 40 FIGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 802631 AYNHBVZPKFJFQS-UXBLZVDNSA-N 355.184 4.420 50 40 FIGB COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408734679 IKYSQKVWMHONEB-ZSOIEALJSA-N 356.809 4.211 50 40 FIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408800348 OFMNBCOKKATFIZ-LFIBNONCSA-N 350.805 4.206 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OCC 408807845 LGFGUSNJXNBWAX-CEWLDGSWSA-N 356.466 4.086 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCC4)cc3OC)[nH]c2c1 409391821 LPZSEGWZAXZQCR-WJDWOHSUSA-N 374.444 4.244 50 40 FIGB Cc1ccc(NC(=O)c2c(NC(=O)CCl)sc3c2CCCC3)cc1 2573412 PZURGHTWAGAGGI-UHFFFAOYSA-N 362.882 4.365 50 40 FIGB COc1ccc(Br)cc1C(=O)N/N=C(C)/C=C/c1ccccc1 12362441 BCZCAVCMAMMCPV-QEXYRNNXSA-N 373.250 4.277 50 40 FIGB CCCCc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)cc1 38654504 ZVEOMNCXCBYLDZ-UHFFFAOYSA-N 356.422 4.459 50 40 FIGB C=C(C)[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195758754 RHMYFPXXDRFLGR-QFIPXVFZSA-N 368.593 4.280 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408795007 JVKYWTBCNWMNOM-MDWZMJQESA-N 371.780 4.193 50 40 FIGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC 408888891 CKZYAXAMEQQPRM-WSDLNYQXSA-N 368.820 4.274 50 40 FIGB C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccc(Cl)cc1 20080860 NZRBLOSRZNKWLW-MRXNPFEDSA-N 360.866 4.128 50 40 FIGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)NC1CCCC1 59133404 QLCFHNJVGFPYIC-PDGQHHTCSA-N 364.420 4.370 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)cc1C 409206243 IQFRVWYBNBVYDK-LPYMAVHISA-N 365.502 4.465 50 40 FIGB COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCc1ccccc1 657539 PHEXOJULDSUNHL-HZHRSRAPSA-N 360.413 4.038 50 40 FIGB Cn1/c(=N\NC(=O)c2ccc(-c3ccccc3)cc2)sc2ccccc21 1994259 AFRALACXKJGHIN-XTQSDGFTSA-N 359.454 4.153 50 40 FIGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N1CCCc2ccccc21 3178924 XAVASUCXHSIKRV-FOWTUZBSSA-N 354.356 4.174 50 40 FIGB Cc1ccn2c(C(=O)N/N=C/c3c(Cl)cccc3Cl)c(C)nc2c1 58883677 SLVYZSXRKIHYEL-AWQFTUOYSA-N 361.232 4.022 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 408737399 OVQUDMXLDSEOQY-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB CCOc1cc(C=C(C#N)C#N)ccc1OCc1cc(OC)ccc1OC 408992467 SVCGUQNIGOYLRV-UHFFFAOYSA-N 364.401 4.112 50 40 FIGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1O[C@H](C)C(=O)O 409020355 OKQRTUFOYYWOFY-CDCQXCROSA-N 357.793 4.265 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c(F)c1)c1ccccc1 409232831 BSYGQPQBBVOYGT-YZYPPFLQSA-N 363.436 4.210 50 40 FIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNc1cccc2ccccc12 4608304 MYMJMCNVQSCFSF-ZMOGYAJESA-N 356.429 4.192 50 40 FIGB O=C(CCN1CCCCC1)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12 21189287 YPCTTWBLRQLLDZ-JJIBRWJFSA-N 374.488 4.161 50 40 FIGB COc1ccc([C@@H]2C(C#N)=C(O)Oc3c2c(C)nn3-c2ccccc2)cc1 33648334 IHVLQURIYOUTMI-LJQANCHMSA-N 359.385 4.007 50 40 FIGB COc1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1 408726952 NYAQRTNCJZZTPM-LPYMAVHISA-N 364.470 4.232 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)s2)cc1 852544 FZCUYLSBVGVRHO-CSKARUKUSA-N 363.236 4.065 50 40 FIGB CCc1sc(/C=N/NC(=O)CCCCc2cccs2)cc1[N+](=O)[O-] 2727510 HSPMJNQDMYBNHR-GZTJUZNOSA-N 365.480 4.143 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2cccc3ccccc23)ccc1Cl 3140064 KXMMGKYCCGJKTF-WSDLNYQXSA-N 352.821 4.331 50 40 FIGB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCl)cc1C 5107019 SGXMQDVXNGSWTB-UHFFFAOYSA-N 356.809 4.479 50 40 FIGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)s1 5409146 UADQOEZOHVEKEC-AWEZNQCLSA-N 368.487 4.343 50 40 FIGB CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1 408755737 PAJXEUPKBHBJML-LDADJPATSA-N 356.381 4.311 50 40 FIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)n1 409383536 ZPRAPVVKEZEVOM-UDWIEESQSA-N 358.445 4.463 50 40 FIGB CC(/C=C/c1ccccc1)=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F 4187625 DCWVRJUILJBUSB-YJTLILGGSA-N 356.241 4.025 50 40 FIGB COc1cc(/C=C(\C#N)c2nc(-c3ccco3)cs2)cc(OC)c1OC 4291955 YUOOZBXERHSEKD-NTUHNPAUSA-N 368.414 4.493 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 5880584 HCPXKBYOULGIQY-CIAFOILYSA-N 354.793 4.373 50 40 FIGB CC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccccc2OC(F)F)c1C 7000229 SEGGIRYAPPWXTN-RIYZIHGNSA-N 358.344 4.225 50 40 FIGB BrC/C(=N\N1CCCCC1)c1ccc(Br)cc1 8628621 KAXANEVIQHRYOD-DTQAZKPQSA-N 360.093 4.034 50 40 FIGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 9324453 QGLAIOQLMFLXFJ-UHFFFAOYSA-N 351.431 4.163 50 40 FIGB CCc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)C(C)(C)C)cc2)cs1 17076130 QZOLXLOWNMVFOZ-LPYMAVHISA-N 371.506 4.449 50 40 FIGB COc1cc(Cl)c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 408807879 PCDWOODOOAVZSA-BPKVKKHESA-N 370.836 4.142 50 40 FIGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2 803706 VQOKXAXZQRHRHK-INIZCTEOSA-N 368.849 4.114 50 40 FIGB O=P1(CCc2ccccc2)C[C@H](Br)[C@H](Br)C1 1560246 MOWPSTVXVPRHHW-HBBFGDNQSA-N 366.033 4.133 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1 4928647 LICWETCLRVZZEO-RVDMUPIBSA-N 354.793 4.062 50 40 FIGB CCCCCC(=O)N/N=C(\C)c1cccc(NC(=O)c2cccs2)c1 5458887 RDDUOCKEEXLNTM-KGENOOAVSA-N 357.479 4.421 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 8812153 MVAALRXLHAWCIE-SRZZPIQSSA-N 367.336 4.066 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C\c1cccn1-c1cccc(C(F)(F)F)c1 408932608 YCWAAPWSKFPRBD-KAMYIIQDSA-N 361.367 4.271 50 40 FIGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409055016 HPXGOFZLKUGVBM-VGOFMYFVSA-N 361.228 4.225 50 40 FIGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Cl)s1 635492 HLLNTVNRWYKPKX-FRKPEAEDSA-N 367.908 4.254 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OC(F)F 3330099 IMEMUCLXDDUPDM-OQLLNIDSSA-N 372.371 4.459 50 40 FIGB Cc1nc2ccc(N/C=C(\C=O)c3nc4cc(Cl)ccc4o3)cc2[nH]1 5336363 REBPTLWLDWYAGQ-DHZHZOJOSA-N 352.781 4.318 50 40 FIGB N#C/C(=C\c1ccccc1Br)C(=O)Nc1ccc(F)cc1F 6627121 FNMBVDJFNIURFN-YRNVUSSQSA-N 363.161 4.273 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(Br)cc1)c1ccccc1 7157151 GNRDWHKVQBCQSN-KWWJGWKXSA-N 355.235 4.233 50 40 FIGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 20764291 NMQUCRPTYKUFIK-HZHRSRAPSA-N 361.445 4.257 50 40 FIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 33499364 NNSBCYBDDQIADM-UUYOSTAYSA-N 356.784 4.432 50 40 FIGB CCCCCCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1OC 33693191 KHEIOLMZQWXGPL-QJOMJCCJSA-N 368.477 4.347 50 40 FIGB CCOC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 41074187 MCEHQABCUSWSCP-CIAFOILYSA-N 368.824 4.273 50 40 FIGB O=C(CCCC[C@H]1CCSS1)NCC1([C@@H](O)c2ccccc2)CC1 89825948 CWKYTBKGAIPYJT-WMZOPIPTSA-N 365.564 4.331 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1C 408745200 QATSHBVAGCDTCO-UVTDQMKNSA-N 371.234 4.312 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 408846224 IYEBHXUIULKKQV-GXDHUFHOSA-N 354.768 4.037 50 40 FIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409155862 DRBKGGDFBVKFNF-FSJBWODESA-N 363.461 4.368 50 40 FIGB CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1Cl 6827633 PWODSAUSBDEWFQ-BOPFTXTBSA-N 354.837 4.351 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 409063615 CYEJOXVZNFMUIX-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(F)cc1 1068827 GLVWONVZUSNYRN-OAHLLOKOSA-N 366.783 4.087 50 40 FIGB CCCOC(=O)c1c(NC(=O)CCCCl)sc2c1CC[C@@H](C)C2 2084451 ANBCJKIOEXNNMW-LLVKDONJSA-N 357.903 4.397 50 40 FIGB CCCCc1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(OC)cc2)cc1 5489411 NOQRUXFQCZVJFW-HKWRFOASSA-N 370.474 4.289 50 40 FIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc2ncccc2c1 12528117 QFPADZJZCYGWPG-LSHDLFTRSA-N 374.227 4.071 50 40 FIGB Cc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 100914677 ZSVZSABIPYRXCY-BVGQSLNGSA-N 364.283 4.092 50 40 FIGB CC(=O)Oc1cccc2c(C(=O)OCCl)cc(-c3ccccc3)nc12 1707485 XKXPORBEIFDCLI-UHFFFAOYSA-N 355.777 4.180 50 40 FIGB O=C(N/N=C/c1cccs1)c1cccc(N/N=C/c2cccs2)c1 5781509 GKPSZLQFTANNDW-GDAWTGGTSA-N 354.460 4.020 50 40 FIGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 1957799 IQQINDMAXNZZEL-KGENOOAVSA-N 361.357 4.151 50 40 FIGB O=C(Cl)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 2521295 OCQXDBNQKQYZFT-UHFFFAOYSA-N 360.122 4.448 50 40 FIGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953665 SFDDJEBISFAYGG-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 6853775 XJZKPEWFIPWEAI-FOWTUZBSSA-N 365.389 4.319 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc(C#N)c2)cc1 9201860 LECWNMXXBZEATN-MFKUBSTISA-N 369.424 4.210 50 40 FIGB C/C(=N/NC(=O)c1cccs1)c1cccc(NC(=O)C2CCCCC2)c1 17075767 JNLHWIDXUJEVGI-HMAPJEAMSA-N 369.490 4.421 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)CSCc2ccc(C)cc2)cc1 59474275 RFNZQDGGAMCFRH-LTGZKZEYSA-N 356.491 4.167 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1O 408795590 LQXGSDDBUNNLLZ-WOJGMQOQSA-N 362.429 4.292 50 40 FIGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 849965 IEVJHICKSXSCFU-OAQYLSRUSA-N 370.456 4.270 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccccn1 4682584 WQKQKFHKDQABRT-MFKUBSTISA-N 368.440 4.406 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1O 6428690 ZCTVRWMKFIFIRO-YRNVUSSQSA-N 363.200 4.253 50 40 FIGB CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C1/CCCC[C@@H]1C 28632570 NEPRCGZIZAZBAP-FVXQFDCFSA-N 366.303 4.322 50 40 FIGB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)CSC#N 226328485 AKEQZPUSLWYRHD-UHFFFAOYSA-N 367.430 4.273 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408741365 IKPYDYLIMPUAOM-UVTDQMKNSA-N 371.234 4.393 50 40 FIGB Cc1c(C(=O)[C@@H](Br)CBr)cccc1C(F)(F)F 575361365 YPMBWJQLWZDLSL-VIFPVBQESA-N 373.994 4.355 50 40 FIGB BrC[C@H]1C[C@@H](CBr)C[C@@H](CBr)C1 1911531207 HPDNDWLWKJEJTR-AYMMMOKOSA-N 362.931 4.204 50 40 FIGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1OCC 831185 LEEXJNXWYIGJJS-HBBMIWKISA-N 372.490 4.115 50 40 FIGB Cc1csc(SCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)n1 5172170 GYBSPRBVHGNSCY-PTNGSMBKSA-N 359.501 4.090 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 5546545 VGQDHZPPUKHXFD-GIJQJNRQSA-N 351.631 4.175 50 40 FIGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCC)cc1OCC 6324650 VPIMLAOKOXIPKP-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB COc1ccc2[nH]c(/C(C#N)=C/c3ccc(N4CCCC4)cc3F)nc2c1 9263509 OYAVSRBPXMGWJC-XNTDXEJSSA-N 362.408 4.375 50 40 FIGB CC[C@@]1(C)Cc2ccccc2C(NC(=O)NCCc2ccccc2)=C1C#N 27534130 QPRCEFTXXDBUFO-QHCPKHFHSA-N 359.473 4.436 50 40 FIGB COc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1 59433146 KHLAOEPORKWKPG-CIAFOILYSA-N 354.793 4.373 50 40 FIGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccccn1 409188225 XOFAXDWICQKSBT-RGVLZGJSSA-N 357.822 4.243 50 40 FIGB O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12 1003513 RFAKOGFXPBSUBF-YDZHTSKRSA-N 359.360 4.398 50 40 FIGB CC(=O)NNc1nc(-c2cc(C)n(-c3ccc(C)c(F)c3)c2C)cs1 62579979 XYUADVVRTCRSCT-UHFFFAOYSA-N 358.442 4.128 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2)cc1 210966886 INEFNRHUEXYZFY-UVTDQMKNSA-N 371.234 4.393 50 40 FIGB CCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408811331 LACQCZXDFZPXDD-LFIBNONCSA-N 363.848 4.386 50 40 FIGB C#CCOc1cccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1 2162399 ZAMIXXUISPEOTM-BUVRLJJBSA-N 368.392 4.362 50 40 FIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 2749431 NPOUWZQVCVCLLL-XYOKQWHBSA-N 351.793 4.376 50 40 FIGB CCCCc1[nH]nc2c1[C@H](c1ccc(OC)c3ccccc13)C(C#N)=C(N)O2 8382695 FAYMIUSVTYMCMF-LJQANCHMSA-N 374.444 4.132 50 40 FIGB N#CC1=C(S)N(c2cccc3ccccc23)[C@H](c2ccccc2)NC1=O 19810102 ZZSJDKYMJHMCIE-LJQANCHMSA-N 357.438 4.140 50 40 FIGB O=C(NNc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2ccccc12 59417526 IACUTAHJDAGYDI-UHFFFAOYSA-N 364.386 4.115 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1O 59679709 PBKDLRRGTVNVOQ-PDGQHHTCSA-N 362.429 4.374 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)CCSc2ccc(C)cc2)c1 409122099 ZAGFIBZAGQKAIB-RCCKNPSSSA-N 354.475 4.192 50 40 FIGB CC(C)OC(=O)c1c(NC(=O)CCCCl)sc2c1CC[C@H](C)C2 2259800 KAXXNQCMLHUUOJ-NSHDSACASA-N 357.903 4.396 50 40 FIGB Cc1cc(O)cc(O)c1/C=N/NC(=O)c1sc2ccccc2c1Cl 2309551 BCCQGKUTDDQHBP-UFWORHAWSA-N 360.822 4.038 50 40 FIGB Cc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1 4981422 ZSVZSABIPYRXCY-XWIAVFTESA-N 364.283 4.092 50 40 FIGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(C(C)=O)cc2)c1C 7656019 ALGKSJLDIJTSIT-XDHOZWIPSA-N 350.418 4.230 50 40 FIGB C[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccnc2)/C(=C/c2cccnc2)C1 19796888 ZOFNDSWLZTZBCP-GCCQWORJSA-N 356.429 4.052 50 40 FIGB N#C/C(=C/c1ccc([N+](=O)[O-])o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33924729 VBRNCJZZVULBRX-XFFZJAGNSA-N 368.330 4.284 50 40 FIGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(F)cc1 58915640 BXPCOAJLWUZHME-UDWIEESQSA-N 350.846 4.253 50 40 FIGB CCOC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2c2ccccc2)cc1 1073878 LUPWQFQBMZEMSF-HXUWFJFHSA-N 360.413 4.102 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1 1095723 NJYPKFMJHWFQID-WTJYETQFSA-N 361.445 4.189 50 40 FIGB CCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2676180 ALDOBSHTAIPUHC-CJLVFECKSA-N 352.434 4.326 50 40 FIGB CC/C(Cc1ccccc1)=N/NC(=O)COc1ccc(C(C)(C)C)cc1 409097494 NJXIOAZACKHKFN-NMWGTECJSA-N 352.478 4.488 50 40 FIGB O=C(N/N=C/c1cccc(Br)c1)c1cc2ccccc2cc1O 1883059 GLVSPAWUWXEBEA-RGVLZGJSSA-N 369.218 4.072 50 40 FIGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cc(Cl)nc(Cl)c1 2581859 MXXCHXMFNKFTJA-NGYBGAFCSA-N 363.031 4.459 50 40 FIGB Cc1ccc([C@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)Nc2ccccc23)cc1 3227165 PFSASTDOQLAQMI-SFHVURJKSA-N 370.334 4.143 50 40 FIGB aggregator COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC(C)C 5644367 KKQBNLOXDUBDGB-XNTDXEJSSA-N 354.381 4.167 50 40 FIGB N#C/C(=C/c1c[nH]nc1-c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 6383073 OULKSSMSXNRBGH-YVLHZVERSA-N 369.833 4.068 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 208734450 JCJWYDKDEIXLNP-LCYFTJDESA-N 371.780 4.193 50 40 FIGB CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OCc1cccc(C)c1 408544234 UIYNZVKZPYQCKM-YVLHZVERSA-N 352.459 4.166 50 40 FIGB O=C(N/N=C\c1cccn1-c1cccc(Br)c1)c1cccs1 409012340 QQAQMOPIYLQPPP-WQRHYEAKSA-N 374.263 4.065 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCCC2)o1)c1cc2ccccc2o1 4472017 KCANKDOGSJOVKN-STZFKDTASA-N 351.406 4.170 50 40 FIGB COc1ccc(NC(C)=O)cc1NC(=O)CCCC[C@H]1CCSS1 25403610 DQASKRZLJZWMBC-AWEZNQCLSA-N 368.524 4.306 50 40 FIGB biogenic CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OC 408602904 OWBZNLDUJDWRHC-XOAFGZPJSA-N 350.418 4.418 50 40 FIGB O=[P@@](Nc1nccs1)(c1ccccc1)c1nc2ccccc2s1 3172468 YXBYBXICJONGGY-NRFANRHFSA-N 357.400 4.094 50 40 FIGB CC(C)Cn1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c2ccccc21 6327443 COLGPDGAEGQDPC-AFEQLLIESA-N 358.445 4.055 50 40 FIGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408809448 HOQPZXVHVJCNLW-KAQJVSAMSA-N 372.808 4.120 50 40 FIGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OC(C)C)cc2)c(C)c1 408909387 UCOBTBUYNXHWPS-HZHRSRAPSA-N 368.477 4.264 50 40 FIGB CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccs2)[nH]n1 4094745 IIXRVJCEYKFXPP-DEDYPNTBSA-N 368.462 4.081 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4588217 OTQUGZXBPLJCKG-CIAFOILYSA-N 374.824 4.418 50 40 FIGB C/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc2ccccc2c1 16136932 ZDDXNVZHPVERLU-HYARGMPZSA-N 352.821 4.412 50 40 FIGB Cc1cccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c1 409156111 RSJAIMVFGORIPJ-CIAFOILYSA-N 363.373 4.236 50 40 FIGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 810621 FKDNJOJVPCGIKS-BJMVGYQFSA-N 355.184 4.420 50 40 FIGB Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CCCC3=O)c1 1056987 IJMCTDNLASXBTI-LJQANCHMSA-N 361.470 4.361 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1C 1414632 XMFYDASGBSUYGU-NBVRZTHBSA-N 361.445 4.150 50 40 FIGB C[C@H]([C@H](c1ccccc1)[C@H](Br)C(=O)c1ccccc1)[N+](=O)[O-] 4409351 YLGKZGRDOXHCOU-WQVCFCJDSA-N 362.223 4.082 50 40 FIGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1C(C)C 4544625 FYEGKJHLHVWOFP-LSHDLFTRSA-N 351.372 4.469 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1 6453912 JQKGMFJJEXZARC-HZHRSRAPSA-N 360.413 4.177 50 40 FIGB N#C/C(=C\c1c[nH]nc1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 6628819 MLDCCSLGABGSAR-UKTHLTGXSA-N 366.783 4.415 50 40 FIGB CCOc1ccc(CC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1 10315748 YEUAHRCQEXMGNY-OEAKJJBVSA-N 363.461 4.314 50 40 FIGB C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 13304397 KYWNYNXVKQCFNJ-JCMHNJIXSA-N 359.385 4.416 50 40 FIGB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NN=C(c1ccccc1)c1ccccc1 17061863 GYEJHYGJGBQFAD-SSZFMOIBSA-N 371.396 4.177 50 40 FIGB COc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCc2cccnc2)cc1 44025872 QAYAIRJXLNSSSG-DEDYPNTBSA-N 370.408 4.459 50 40 FIGB Cc1ccc(C(=O)NN=C2CCN(Cc3ccc(Cl)cc3)CC2)s1 63424735 PKXKHBGLMYTHNV-UHFFFAOYSA-N 361.898 4.092 50 40 FIGB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCBr)cc1 225738223 UGXKIEWTAYBUJE-QGZVFWFLSA-N 372.303 4.384 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Cl)cc1OC 408792909 MIUKNXVGLKUYFK-NTEUORMPSA-N 356.809 4.293 50 40 FIGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1c(Cl)cccc1Cl 408888583 XMNYRILENZDNCN-IZZDOVSWSA-N 361.184 4.268 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 409000327 YNWGTGQSPWWKRY-UFFVCSGVSA-N 359.788 4.244 50 40 FIGB C/C(=N/NC(=O)COc1ccc(-c2ccccc2)cc1)c1cccs1 4702600 DKLXHAIBNJSLJG-QNGOZBTKSA-N 350.443 4.334 50 40 FIGB CCOc1ccc(Cl)cc1/C(C)=N/NC(=O)Cc1ccc(C)cc1C 20195494 OTXCNZRZGIWKNR-PXLXIMEGSA-N 358.869 4.438 50 40 FIGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCC(=O)O 409073719 XCWAGLOIVZOMKS-XDHOZWIPSA-N 363.413 4.341 50 40 FIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 6884046 WNTHODVJALNCKJ-WZUFQYTHSA-N 361.184 4.268 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 7009741 TYPZPTLZECAAHA-MFKUBSTISA-N 373.456 4.136 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1O 44027391 RABXLBHKMFVEBI-WUXMJOGZSA-N 352.777 4.325 50 40 FIGB COc1ccccc1NC(=S)N/C=C(/C#N)c1nc2ccccc2s1 104304358 AEVOLZLUROPVKC-QXMHVHEDSA-N 366.471 4.156 50 40 FIGB Cc1cc(C=NNC(=O)CC#N)c(C)n1-c1ccc(-c2ccccc2)cc1 254738242 OCFXRXZZNGXNGI-UHFFFAOYSA-N 356.429 4.125 50 40 FIGB COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)NC3CCCCC3)c2c1 409008677 ZSLAGGFJKYSORX-VBKFSLOCSA-N 364.445 4.213 50 40 FIGB CCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1ccc(F)cc1 33502972 RWMZUMKDHNOKCO-UCQKPKSFSA-N 350.393 4.070 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 59473030 YQHDRJYUSKTLHG-LTGZKZEYSA-N 356.491 4.086 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408754940 PGAXFZRMDPTSFN-LCYFTJDESA-N 372.808 4.074 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Cl 409389410 YSEUYHYOGQVLRO-FSJBWODESA-N 367.836 4.471 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1 4739745 SALKXMZFNUQBRH-VBKFSLOCSA-N 359.341 4.148 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 6357682 FGIFEXJNZZRQBX-VQCBNXJZSA-N 366.417 4.124 50 40 FIGB COc1ccc(CSCC(=O)N/N=C/c2cccc3ccccc23)cc1 59473424 HRJJOIYSGKWRMN-LPYMAVHISA-N 364.470 4.232 50 40 FIGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OC 408567051 KPLMFNUGQDGZAW-HZHRSRAPSA-N 368.477 4.084 50 40 FIGB C=CCc1cc(/C=N\NC(=O)Nc2cccc(C)c2C)cc(OCC)c1O 408820583 YVHCQKPZTWISTR-XKZIYDEJSA-N 367.449 4.292 50 40 FIGB COc1cc(C=C(C#N)C#N)cc(Cl)c1OCc1cccc(C(=O)O)c1 408863905 RQYYWDUYBWCUTI-UHFFFAOYSA-N 368.776 4.056 50 40 FIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(Cl)cc1 3107247 UEQKLZSVXFALLZ-SRZZPIQSSA-N 373.243 4.251 50 40 FIGB Cc1ccc2sc(NNC(=O)c3nc4ccccc4s3)nc2c1C 4121429 CFKKZCBRFADPCN-UHFFFAOYSA-N 354.460 4.280 50 40 FIGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccccc1 4923139 HINVCAPQBPPNDC-KRWDZBQOSA-N 365.433 4.045 50 40 FIGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1 6210158 TUWSBAQTYSYVQO-NBVRZTHBSA-N 371.440 4.103 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33529969 MRXYZLGMEUEXKZ-GIJQJNRQSA-N 359.794 4.227 50 40 FIGB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](NC(=O)CCl)CC[C@H]12 253499456 HJBLTJMKWABGPD-PQXGNSMKSA-N 367.961 4.114 50 40 FIGB biogenic C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1O 408852160 CRRZBUICADKROW-XKZIYDEJSA-N 364.401 4.030 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 409188749 GCEVVKVXBAPTNH-LNOXHEFASA-N 360.841 4.290 50 40 FIGB Cc1cccc(-c2cccc(C(=O)NNc3nc(O)c4ccccc4n3)c2)c1 1650861133 ARBNKZSKKMAGGH-UHFFFAOYSA-N 370.412 4.068 50 40 FIGB Cc1cc(C)c2c3c(sc2n1)[C@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O3 663169 KBEUKBDXYWKRQC-OAHLLOKOSA-N 369.396 4.410 50 40 FIGB Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)s1 7917218 OBTQQAUWKVXCFW-RIYZIHGNSA-N 368.277 4.157 50 40 FIGB N#C/C(=C\c1ccccc1OCC(=O)O)c1nc(-c2ccccc2)cs1 8120768 YNKMFYPVLNCRBJ-MHWRWJLKSA-N 362.410 4.338 50 40 FIGB Clc1ccc2nc(CBr)c(CBr)nc2c1 101001662 FFBZVHUMCXCGNW-UHFFFAOYSA-N 350.441 4.073 50 40 FIGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NC1CCCC1 208323790 OVJXBLOQAHBVET-AQTBWJFISA-N 364.420 4.370 50 40 FIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1ccc(Cl)cc1 408959889 HMPXNKNPOWREHJ-BKUYFWCQSA-N 356.857 4.404 50 40 FIGB COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c2ccccc12 408971288 ICRBUGKVDMYSFK-YDZHTSKRSA-N 374.396 4.367 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 1782560 BUDXRHGMTOHKNB-NSMHLIOHSA-N 374.868 4.355 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O)cc1 6815864 CVJZIQSTVMSAHX-VBKFSLOCSA-N 359.341 4.148 50 40 FIGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408542723 NOWQILBYBNOOBB-RQNDZEIBSA-N 364.401 4.108 50 40 FIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408801013 RCNIBNJRRSMNON-SERMCNLOSA-N 373.796 4.330 50 40 FIGB CC(C)Oc1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 20133438 HFNNQFSYCSLTES-ZDUSSCGKSA-N 371.300 4.442 50 40 FIGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21 20194554 AYSSQWACVGKJAG-BUVRLJJBSA-N 359.473 4.445 50 40 FIGB O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccccc1OCc1ccc(F)cc1 38332105 RIIPNLIAQKLWLV-FFTDFMQUSA-N 350.393 4.087 50 40 FIGB O=[N+]([O-])c1ccc(Br)c(C(Br)Br)c1 199474065 HRUHRGJIGBNKJV-UHFFFAOYSA-N 373.826 4.146 50 40 FIGB CO[C@@H](C(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl)c1ccccc1 408726962 CYVKPZOFAZAXON-FNLSEGDXSA-N 367.836 4.034 50 40 FIGB COc1cc(N(CCCl)CCCl)ccc1NC(=O)c1ccccc1 1701555 MPPHGXCGOCNMGJ-UHFFFAOYSA-N 367.276 4.232 50 40 FIGB Cc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)s1 6234273 QAXWKFIQXSUPTD-FYJGNVAPSA-N 350.443 4.253 50 40 FIGB CCOc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1 33335977 CFTHBDQMZOKZLI-ULJHMMPZSA-N 358.441 4.368 50 40 FIGB COc1cccc2cc(C(=O)N/N=C/c3cccc(OCC(C)C)c3)oc12 408974136 XRLZSWLPXVDEGV-WSDLNYQXSA-N 366.417 4.240 50 40 FIGB N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(F)cc1 409046130 IXHOOBHJLVULPP-BJMVGYQFSA-N 351.164 4.384 50 40 FIGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1ccccc1 2250508 JCAFAKBNKFEXAQ-SFQUDFHCSA-N 373.368 4.078 50 40 FIGB O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1-n1cccc1 5157840 ZWNRUJRFBPJWEW-DEDYPNTBSA-N 368.234 4.004 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)cc1 6209499 HMXZIBNHYUDCPT-XDHOZWIPSA-N 359.429 4.219 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1O 7158288 LKYJJCUBEYYRNZ-XVDJGBJWSA-N 362.857 4.046 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCO2 3060326 BNSZCZPRNMDVGB-UFFVCSGVSA-N 368.776 4.093 50 40 FIGB O=C(Cc1ccccc1)N/N=C/c1c[nH]nc1-c1ccc(Cl)c(Cl)c1 5387574 GFFZRTAGSBAYRM-UFFVCSGVSA-N 373.243 4.076 50 40 FIGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1 5482443 FPFOLMSXVMOOQH-GOSISDBHSA-N 365.820 4.060 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 12687469 IKJJIAPOURIHLQ-PXLXIMEGSA-N 362.433 4.020 50 40 FIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(C)C)cc1 408873893 WUNLANUBOGBPBD-WSDLNYQXSA-N 370.518 4.413 50 40 FIGB CCc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)nc1 805087 RFMJVNOLLPSJAA-WSDLNYQXSA-N 353.809 4.321 50 40 FIGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(C)cc1C 20194951 ZFRAUUFQMSGADB-LPYMAVHISA-N 358.869 4.438 50 40 FIGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccs3)c2C)cc1 409187184 NDFHMLDIPRRKQH-BKUYFWCQSA-N 367.474 4.318 50 40 FIGB Cc1c(C(=O)N/N=C/c2ccccc2)[nH]c2ccc(Br)cc12 1504097 PZJYGIOAJBHRTM-VXLYETTFSA-N 356.223 4.003 50 40 FIGB C[C@H](Cl)[C@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4844004 CPVUBAGICXSIAV-NHYWBVRUSA-N 350.827 4.322 50 40 FIGB Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(I)cc1 6209248 VQCYVHPBBNCPCM-UHFFFAOYSA-N 373.197 4.129 50 40 FIGB CCOC(=O)c1sc(NC(=O)CCc2ccccc2)c(SC#N)c1C 7345731 XKPAPEGPHNPXEO-UHFFFAOYSA-N 374.487 4.378 50 40 FIGB COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)Cc2ccccc2)o1 14134925 VCSRQMNYUXQUQG-LPYMAVHISA-N 368.820 4.301 50 40 FIGB CCN(CC)c1ccc(/C=C(\C#N)C(N)=S)c(OCc2ccccc2)c1 107569981 SOQVIAHQKQJWFI-LDADJPATSA-N 365.502 4.305 50 40 FIGB COc1ccc2cc(/C=N/NC(=O)c3ccccc3Cl)c(Cl)nc2c1 408728743 SKDXMEXFSGAYRO-UFFVCSGVSA-N 374.227 4.314 50 40 FIGB C[C@]12CC[C@@](O)(C#N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 2049238362 LLOYXBYLIJXIJG-NTHNXFDUSA-N 359.510 4.027 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(OC)c1 948263 BBUYZILMYRKULJ-GZTJUZNOSA-N 350.418 4.373 50 40 FIGB COc1ccc(O)c(/C=N/NC(=O)c2sc3ccccc3c2Cl)c1 2394280 FBPKHTXESZHTIR-DJKKODMXSA-N 360.822 4.033 50 40 FIGB C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C2CCCCC2)cc1 6527133 CIHXFFQHKNDBOC-UCQKPKSFSA-N 367.449 4.261 50 40 FIGB O=C(CCCc1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O 103739720 NHHJFZPVMQQTJR-RGVLZGJSSA-N 351.233 4.172 50 40 FIGB CCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 1915617 DLOKECDONFDVTE-LDADJPATSA-N 361.850 4.467 50 40 FIGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 4724478 YVZNGNLBRKHRKK-TUVRHOMCSA-N 365.433 4.146 50 40 FIGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccs3)cc2)cc1 5177059 NFRKZEXHHLOXSI-FYJGNVAPSA-N 363.442 4.073 50 40 FIGB Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 5728618 PFTRQLIWCYMTNE-JJBLJPBOSA-N 356.429 4.170 50 40 FIGB CC(C)(C)C1CCC(=NNC(=O)c2cc(Br)ccc2O)CC1 5976476 RRNKPGCJOBOATP-UHFFFAOYSA-N 367.287 4.477 50 40 FIGB CCOC(=O)c1sc(NC(=O)c2cccc(C)c2)c(SC#N)c1C 7345635 NLYHIMGLMPIPTO-UHFFFAOYSA-N 360.460 4.367 50 40 FIGB O=C(CCCCl)Nc1ccccc1-c1nc(COc2ccccc2)no1 22463297 HDJKATCECYLTAG-UHFFFAOYSA-N 371.824 4.273 50 40 FIGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 108207431 YYLCZNTXZUHWHK-KAMYIIQDSA-N 370.250 4.061 50 40 FIGB CC1(C)[C@]2(C)CC[C@@]1(c1ccc([N+](=O)[O-])cc1)[C@H](Br)C2=O 242614810 PHVPPHYVLNGOEG-DAXOMENPSA-N 352.228 4.005 50 40 FIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Br)s1 5705011 GFLMHMKTNOJERZ-YBFXNURJSA-N 373.275 4.357 50 40 FIGB CCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 5858568 DGCXMIAFAGVGIU-HYARGMPZSA-N 351.450 4.313 50 40 FIGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc2c(c1)OCO2 5949014 PXOOHZWQZZMZSY-CFRMEGHHSA-N 368.392 4.486 50 40 FIGB O=C(N/N=C\c1ccc([N+](=O)[O-])s1)c1sc2ccccc2c1Cl 33333935 ZVMRCOKNCACAOL-APSNUPSMSA-N 365.823 4.288 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1C 408590552 PPLNEYNCDWGXIF-BUVRLJJBSA-N 359.473 4.404 50 40 FIGB CCCOc1cccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)c1 409311940 IBOLSMWMBKSKBC-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB CCCN(CCC)c1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1 3080459 QTPPNTQVEMDHIV-LFVJCYFKSA-N 366.509 4.184 50 40 FIGB CC(/C=N/NC(=O)Cc1ccc(Br)cc1)=C\c1ccccc1 4735298 DLMQVVKKWHVIDC-NKSMKPMTSA-N 357.251 4.197 50 40 FIGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(C(C)(C)C)cc1 5130223 VXFWPGKJFQMNQP-QQHUYRGFSA-N 355.507 4.400 50 40 FIGB C/C(=N\NC(=O)CC#N)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917252 WSCYAWJZKMCXBI-QQDYSOSCSA-N 370.456 4.267 50 40 FIGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1 3085331 KRXISNABHRNNOU-OEAKJJBVSA-N 365.477 4.024 50 40 FIGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(Br)cc1 39246196 ZAUBZGCHSVVBKM-JAIQZWGSSA-N 369.218 4.072 50 40 FIGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408809462 HOQPZXVHVJCNLW-ZWSXMNCCSA-N 372.808 4.120 50 40 FIGB C#CCn1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21 409180604 XVUFQVGGARCQBJ-PCLIKHOPSA-N 365.436 4.121 50 40 FIGB CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 409189249 NWLLFBFDFSBZBV-KEBDBYFISA-N 367.232 4.165 50 40 FIGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cccs2)cc1OC 409369866 GQMGTNWTVVYBQV-ORPVNXHJSA-N 366.870 4.351 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(CCC)s2)cc1 1903399 OQMAIVWGTXHWRJ-NTCAYCPXSA-N 370.478 4.215 50 40 FIGB Cc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 12363754 DDGIYSJZSNEAQN-BKUYFWCQSA-N 368.437 4.282 50 40 FIGB CC(C)(C)C(=O)CNc1ccccc1C(=O)C(C#N)=C1Nc2ccccc2N1 12536982 WTKYLKNLJREEJP-UHFFFAOYSA-N 374.444 4.169 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 13141313 FLWUBQUQSRAIFO-FMIVXFBMSA-N 373.796 4.284 50 40 FIGB CCCOc1cc(/C=C(/C#N)C(=O)c2ccc(OC)cc2)ccc1OC 71795570 JLVLURCLQKLTNQ-ATVHPVEESA-N 351.402 4.282 50 40 FIGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 409125563 BBDWWBNIULZSJW-IKMPRTQCSA-N 364.470 4.485 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(O)c1 409389962 BGBMHBVRZWKBME-SRZZPIQSSA-N 370.792 4.078 50 40 FIGB O=C(CSCc1ccccc1Cl)N/N=C/c1cccc(Cl)c1 1051969 FZKMSDKYUNQROL-DJKKODMXSA-N 353.274 4.377 50 40 FIGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)OCCCl 2230560 GIYSXJSVIFKFDZ-SFQUDFHCSA-N 364.832 4.379 50 40 FIGB COc1cccc(C(=O)CSC(Nc2ccc(F)cc2)=C(C#N)C#N)c1 2351491 GUHGJPUMGPGYIH-UHFFFAOYSA-N 367.405 4.121 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1O 13897447 NKXQIEVQLSDQFE-WFSQQTBHSA-N 370.836 4.229 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccncc1 409229417 OSAPQHWLASGZOB-XESZTULISA-N 370.456 4.274 50 40 FIGB C/C(=N/NC(=O)CNc1c(C)cccc1C)c1cccc(Br)c1 4077075 KSSOUGIFNNUFJX-STZFKDTASA-N 374.282 4.018 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 5466200 ZLBRYNTYJLJQQS-HYARGMPZSA-N 354.450 4.155 50 40 FIGB Cc1ccccc1Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21 17073477 DUPBNFNPUFCJFX-LDADJPATSA-N 355.441 4.184 50 40 FIGB N#Cc1ncc(/N=C\c2ccc(N(CCCl)CCCl)cc2)s1 102901023 QCLYSNBFASOOKB-GRSHGNNSSA-N 353.278 4.049 50 40 FIGB C#CCn1cc(/C=N/NC(=O)c2cccc3ccccc23)c2ccccc21 409178057 GCJQSXQOROPSAC-BUVRLJJBSA-N 351.409 4.192 50 40 FIGB Cc1cc(C)nc(NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 13003579 HOWWMPWXKKQRBE-SFHVURJKSA-N 364.474 4.070 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OC(C)C 23723784 WGYYCQKRLHEUDU-LBHDEGOLSA-N 356.466 4.084 50 40 FIGB COc1cccc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 9154383 BDZSPSOYQVIRCY-YDZHTSKRSA-N 365.408 4.006 50 40 FIGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1 82375360 WCFHCBWDXRMJLJ-HZHRSRAPSA-N 362.429 4.488 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12 105275613 YOIVSQCUYAYQLA-YDZHTSKRSA-N 357.413 4.402 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC 408830729 NMZFIGGTEJQDFK-FYJGNVAPSA-N 358.825 4.067 50 40 FIGB COc1ccc(Cl)cc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409242675 XOKJRMYSCQPAJF-ATVHPVEESA-N 354.837 4.005 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 4735362 HPCMHTMATGPVNM-UDWIEESQSA-N 359.267 4.265 50 40 FIGB CCCCOc1ccc([C@@H]2C(C#N)=C(C)Oc3[nH]c(C)nc32)cc1OC 6160088 UEVSPTLLEOEYQT-GOSISDBHSA-N 353.422 4.228 50 40 FIGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)Cc2ccccc2)cc1OC 6358343 LEKVJTKDVNVTMG-KOUDTOEKSA-N 374.868 4.219 50 40 FIGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1ccc(F)cc1 20237979 DDNSBDLOTWMDMU-KRWDZBQOSA-N 371.481 4.173 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1n[nH]c(N)c1C#N 32099386 WUPRKSGYXKNFTL-BJMVGYQFSA-N 370.199 4.495 50 40 FIGB Cc1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)c3ccccc3n2)cc1 55079179 FVBHSFMYRBPXJP-UHFFFAOYSA-N 372.472 4.022 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 59335699 RLKBGSOYSVEBJX-PDGQHHTCSA-N 362.429 4.286 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1 206267784 ZXOJHFKEOAUVPS-SDXDJHTJSA-N 363.461 4.477 50 40 FIGB CN(CCCl)c1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 666590 YOOKDLGLXFTBFK-NSMFRCMUSA-N 366.848 4.371 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2O)cc1OC 2670450 AHEXMWZVQDIPNM-FOWTUZBSSA-N 366.417 4.125 50 40 FIGB O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9320600 GSTPJVOLORGHIX-QGMBQPNBSA-N 365.245 4.209 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC(C)C 23723782 WGYYCQKRLHEUDU-GYTXZQQPSA-N 356.466 4.084 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 59194360 FIWYPKBEJMMQFS-XNTDXEJSSA-N 355.777 4.029 50 40 FIGB O=C(NCCc1ccccc1)C(=O)NN=C1CCCCCCCCCCC1 59515694 OJFLUZLLCNWKCU-UHFFFAOYSA-N 371.525 4.122 50 40 FIGB O=C(N/N=C/c1ccco1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408728523 OCDSYJCHICGEFQ-SSDVNMTOSA-N 365.820 4.217 50 40 FIGB O=C(N/N=C/c1ccc(Br)s1)c1ccc2ccccc2c1 408994610 GTPAOLDYEHORQI-VCHYOVAHSA-N 359.248 4.428 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(F)cc1)c1ccccc1 409245794 ZECSBWOAYFCWDO-IYWFSZBXSA-N 359.404 4.401 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 35212091 ZZYOJWYMCBPARG-QINSGFPZSA-N 360.329 4.358 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1O 43079654 IPLVYSRJBPVGPZ-VZUCSPMQSA-N 363.200 4.253 50 40 FIGB Cc1ccc2c(Cl)c(C(=O)NN=C3CCN(C(C)C)CC3)sc2c1 55048461 LGKIVUGIQMTZRB-UHFFFAOYSA-N 363.914 4.453 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccn1-c1ccccc1 408848040 XUUNVLINHIQSPO-WQRHYEAKSA-N 363.424 4.486 50 40 FIGB COc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1 409143755 IPYYPFVGMYBKOA-LPYMAVHISA-N 370.449 4.034 50 40 FIGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)c2ccccc21 4959608 OTGPKWLWRUZANP-LGMDPLHJSA-N 369.424 4.219 50 40 FIGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)c1 36092089 WHDJIOJADYIXCV-SRZZPIQSSA-N 368.776 4.062 50 40 FIGB COC(=O)[C@@H](NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(C)C 97977136 VKAPNBWAWBNHAM-NSHDSACASA-N 361.332 4.271 50 40 FIGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccn3)cc21 208464624 ZTKKZXMDSLGZCG-FSJBWODESA-N 368.868 4.131 50 40 FIGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1 408843566 MDMLLICSKRWLME-DVKBPIKUSA-N 369.424 4.102 50 40 FIGB N#CCC(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 2301687 CJOHNSDSNUTGKR-AFUMVMLFSA-N 366.424 4.207 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(SC(F)F)cc2)o1)c1ccncc1 2341778 FTTLCUOPPHLDLZ-SSDVNMTOSA-N 373.384 4.420 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 14134834 OMHDLYJLOXHBFW-MFKUBSTISA-N 369.424 4.210 50 40 FIGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 408852511 GUELAQZPKCAQHY-RVDMUPIBSA-N 354.381 4.169 50 40 FIGB N#C/C(=C/C=C/c1ccccc1)c1nnc(NC(=O)c2ccccc2)s1 1418527 AQKNJBGYCSITPL-DESBJYGPSA-N 358.426 4.411 50 40 FIGB COc1ccc(Br)cc1/C=C(/C#N)c1ccc(C(=O)O)cc1 6406287 AWLPLNFPVCHLBQ-ZSOIEALJSA-N 358.191 4.220 50 40 FIGB N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1ccccc1Br 84506016 DPRFEMPHYDSUGB-YRNVUSSQSA-N 374.263 4.329 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1O 408763794 QVMQLYPZGGWGRP-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1 408792122 IECMKRNYVMQWNI-GHRIWEEISA-N 362.429 4.316 50 40 FIGB CCCCOC(=O)[C@H](Br)[C@H](Br)c1ccccc1 3159536 MLOMJMXDYFPLQE-VXGBXAGGSA-N 364.077 4.229 50 40 FIGB C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)Cc1ccc(Cl)cc1 4691349 YKSMWGKICCOXDT-HZHRSRAPSA-N 371.868 4.020 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OC 6410864 KCKCTHDYEXGTHQ-GHRIWEEISA-N 358.397 4.403 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 408787603 CMBVWQGIDDOERY-LFIBNONCSA-N 350.805 4.206 50 40 FIGB CCCSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C(C(C)=O)=C(C)N1 2051157 MIXWHSUQUTUVPE-KRWDZBQOSA-N 357.435 4.023 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1O 5215069 IAOQUDIGFWMLPJ-YRNVUSSQSA-N 363.200 4.253 50 40 FIGB C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)C(=O)Nc1ccc(C)cc1 8048729 WHMPUOHEVWJKQN-BUVRLJJBSA-N 367.493 4.032 50 40 FIGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 13958725 HXSFULQESYWLCT-XQNSMLJCSA-N 373.412 4.345 50 40 FIGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)NCc1cccnc1 26966275 IJYFHXFXOXGNFZ-XNTDXEJSSA-N 363.804 4.218 50 40 FIGB O=C(CCSc1ccccc1)N/N=C/c1ccc(Br)cc1 59473740 TZQBESGPQHPSGH-LDADJPATSA-N 363.280 4.082 50 40 FIGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 409267470 VUAQYIUNGYWLBK-CIAFOILYSA-N 373.840 4.239 50 40 FIGB CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C1\CCCC[C@@H]1C 15930912 NEPRCGZIZAZBAP-SBKSMOTESA-N 366.303 4.322 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc12 408797097 FYZREMLXUQUGNL-XDJHFCHBSA-N 356.425 4.114 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1F)c1ccccc1 409245813 ZHYCMGOGPHTJGI-YZYPPFLQSA-N 363.436 4.210 50 40 FIGB O=P(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)(c1ccccc1)c1ccccc1 575628246 OAWWUCDYEOMRPU-BXWFABGCSA-N 355.443 4.064 50 40 FIGB C[C@H](c1ccccc1)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)o1 2370620 QJZGRWKYTVLCFN-CNRHGSOZSA-N 363.373 4.104 50 40 FIGB O=C(NCCc1c[nH]c2ccccc12)c1ccc(CBr)cc1 2550067 TUFNAPRFCYAXFS-UHFFFAOYSA-N 357.251 4.035 50 40 FIGB C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)c1ccc(F)cc1 4690629 SUBGJVZPJIPVCY-OEAKJJBVSA-N 355.413 4.084 50 40 FIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(C)c(C)c2C)cc1 59473598 NDQKRENJGDXXGQ-SRZZPIQSSA-N 356.491 4.004 50 40 FIGB C=CCc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc(OCC)c1O 408851673 MEOOOEJQBFCAPX-MTJSOVHGSA-N 373.840 4.328 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1[N+](=O)[O-] 408860531 XQEFABAPJNLKGV-MDWZMJQESA-N 371.780 4.111 50 40 FIGB CCOc1ccccc1[C@H](O)P(=O)(c1ccccc1)c1ccccc1 2163373 WRYDRCKHDBDXCI-OAQYLSRUSA-N 352.370 4.090 50 40 FIGB Cc1nn(C)c(Cl)c1/C=C/C(=O)NN(c1ccccc1)c1ccccc1 58367082 UZPDKJAVIFKSKF-BUHFOSPRSA-N 366.852 4.265 50 40 FIGB O=C(N/N=C\c1cccc(F)c1)c1cc2cc(Br)ccc2o1 83316624 GTDNIPWZGOPCOH-OCKHKDLRSA-N 361.170 4.098 50 40 FIGB Cc1c(C(=O)[C@H](Br)CBr)cccc1C(F)(F)F 575361363 YPMBWJQLWZDLSL-SECBINFHSA-N 373.994 4.355 50 40 FIGB CCOc1ccccc1/C=N/NC(=O)COc1ccc([C@@H](C)CC)cc1 1320200 RZAFFDDVUMBJRO-SITPEIFSSA-N 354.450 4.128 50 40 FIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 6822198 MGFQAKJUVJVUPR-QGOAFFKASA-N 356.381 4.311 50 40 FIGB O=C(CSCc1ccccc1Br)NN=C1CCCCC1 20248874 SAIORZXXMCADPV-UHFFFAOYSA-N 355.301 4.119 50 40 FIGB CCOC(=O)/C(C#N)=C(\SC)[C@H]1C(=C(C#N)C#N)C=C(C)CC1(C)C 59662424 ZBGMXOQSMQVNMG-CFBLSMTOSA-N 355.463 4.026 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccccn3)cc2C(C)=CC1(C)C 208513593 GVVHZZNKMUSHCV-ZVHZXABRSA-N 362.477 4.176 50 40 FIGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc2cccc(OC)c2o1 408971303 IHBKHQZDFZHYAC-SRZZPIQSSA-N 372.808 4.257 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccnc1 1789717 ITIGQCKNYZDLNK-FOKLQQMPSA-N 359.307 4.124 50 40 FIGB O=C(c1ccccc1)[C@@H]1[C@@H]2[C@H]3C[C@H]([C@H](Cl)C3)[C@@H]2ON1c1ccccc1 4936866 DYGLKPUISJDAQN-XTSSJESASA-N 353.849 4.322 50 40 FIGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc(Br)c1 5893228 JIOAKYSLHBPASE-YFGIWCPESA-N 357.251 4.093 50 40 FIGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C(=O)O 13058578 XOLANVKACMIWHH-CSKARUKUSA-N 361.184 4.237 50 40 FIGB O=C(N/N=C(\CC(=O)c1cccs1)C(F)(F)F)c1ccc(Cl)cc1 13536381 IOHUKLIYAYKTNF-DEDYPNTBSA-N 374.771 4.323 50 40 FIGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 211453084 PZWFETWXJDAWHM-ZROIWOOFSA-N 371.234 4.312 50 40 FIGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408738428 XJBYZKYNFBIURI-YDZHTSKRSA-N 365.408 4.006 50 40 FIGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408812590 MDJCCEHJAKBYMH-GZTJUZNOSA-N 350.418 4.256 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(CC)cc1 409362586 IHURKEGGUGGXPU-KOEQRZSOSA-N 370.452 4.107 50 40 FIGB CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(N(C)C)cc1 3081481 LYSZOFPJQIDWPG-HAVVHWLPSA-N 367.493 4.476 50 40 FIGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(Cl)cc1 6951682 UZQXEZGPBUHVNQ-HYARGMPZSA-N 371.868 4.103 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccccc1F 33899578 OKXBJOUHKGFBHH-MOSHPQCFSA-N 373.431 4.457 50 40 FIGB Cc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)c1 57414052 DGJOICSEGWHWHN-ACCUITESSA-N 356.223 4.216 50 40 FIGB COC(=O)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 4091857 FHCWANRWMXSRDI-SRZZPIQSSA-N 355.825 4.341 50 40 FIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 6823998 WLXTUGDWSJKTBA-CNRHGSOZSA-N 350.443 4.176 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)cc1 20197441 QFKYGJAVFWOCMU-BUVRLJJBSA-N 373.412 4.371 50 40 FIGB CCCCc1ccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)cc1 38654594 JXBIDMSDPQRJHO-UHFFFAOYSA-N 356.422 4.459 50 40 FIGB CCOC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1Cl 1600737 GXESVHOGRBTVJS-UWVGGRQHSA-N 370.468 4.103 50 40 FIGB O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 2022294 JBCMKCOMUDVHNE-UHFFFAOYSA-N 359.212 4.221 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc12 7067152 PJVRNHJLQAEGNJ-RVDMUPIBSA-N 373.368 4.302 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 409134854 PTVCNSLOPZWBJX-HBBMIWKISA-N 372.490 4.033 50 40 FIGB O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1sc2ccccc2c1Cl 2780028 JHUMCTYPDQJIMB-KBPBESRZSA-N 370.861 4.119 50 40 FIGB O=C(N/N=C1\CCCC[C@@H]1C1CCCCC1)[C@H]1COc2ccccc2O1 5865498 RRCHERBZSXBACC-RODCRAKVSA-N 356.466 4.069 50 40 FIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1ccc(Cl)c(Cl)c1 20086231 YRNCYILKXNEDOH-HNNXBMFYSA-N 356.216 4.161 50 40 FIGB CC[C@H](Br)C(=O)Nc1nc2c(F)cc(Cl)cc2s1 20132325 QSTIGHXFHYUBFS-LURJTMIESA-N 351.628 4.201 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 408735483 SQDUMYYWXPGCAJ-VGOFMYFVSA-N 355.781 4.411 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1 408998061 HVWPJMUVLZGJEQ-SRZZPIQSSA-N 368.776 4.062 50 40 FIGB Cc1occc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6280049 SFRCONVEFLZDJV-DJKKODMXSA-N 373.752 4.174 50 40 FIGB Cc1cccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 8083890 SZVXVUKDJSZMOD-MFKUBSTISA-N 366.424 4.369 50 40 FIGB COc1cc(/C=C(/C#N)c2cccc(Br)c2)ccc1OCC#N 409375325 JDEDPYQOPTYCIJ-DHDCSXOGSA-N 369.218 4.424 50 40 FIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)ccc1O 677937 BBLFHPVLEGDOSW-FQEVSTJZSA-N 358.397 4.162 50 40 FIGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 4724484 YVZNGNLBRKHRKK-NURUNYDYSA-N 365.433 4.146 50 40 FIGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)NCc1ccccc1 5068977 YNWXIVGDHXTMTB-PXLXIMEGSA-N 368.436 4.489 50 40 FIGB N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)c1nnc2n1CCCCC2 5445385 CCXMAPFADLDDSO-FOWTUZBSSA-N 355.401 4.200 50 40 FIGB O=C1CCCC2=C1[C@@H](c1cccs1)N(C(=O)CCl)c1ccccc1N2 12861977 WHCSXLYFRJDOHC-LJQANCHMSA-N 372.877 4.494 50 40 FIGB COc1cc(/C=N\NC(=O)CCSc2ccc(Cl)cc2)ccc1C 32926475 HTMKFWBDCAXVJL-NDENLUEZSA-N 362.882 4.290 50 40 FIGB CC/C(=N\NC(=O)CCSc1ccccc1)c1ccc(OC)c(OC)c1 59473358 NUDDWAHDKPANBQ-HEHNFIMWSA-N 372.490 4.117 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 4171137 ZCMGILCSCNMNKW-GIJQJNRQSA-N 365.773 4.367 50 40 FIGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 4724473 FTLSPRIFTFUULT-BVZKRWNYSA-N 365.433 4.146 50 40 FIGB COc1ccccc1/C=C/C=N/NC(=O)c1cc2c(s1)CC[C@@H](C)C2 4954062 WHEKLELNHZOQQM-NANJOEAUSA-N 354.475 4.311 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1 5068901 TZEXITIBKONYCV-PXLXIMEGSA-N 368.436 4.489 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 5466204 KEBGPQSKSILNON-KEBDBYFISA-N 367.232 4.165 50 40 FIGB Cc1cc(C)c(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1C 11296907 KNZSQSFFQJIGBO-GZTJUZNOSA-N 356.433 4.187 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc(F)c1 59334760 FHLPCXKFUDPIII-UNOMPAQXSA-N 364.420 4.128 50 40 FIGB N#C/C(=C/c1ccco1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 939448 PVKXSPROOCTVPJ-LCYFTJDESA-N 353.378 4.012 50 40 FIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1453739 ZTWBQWAGEZOZII-WSDLNYQXSA-N 374.356 4.100 50 40 FIGB O=C(CCC1CCCC1)NNC(=O)c1sc2ccccc2c1Cl 2665086 SCQONLZEIHCDEO-UHFFFAOYSA-N 350.871 4.286 50 40 FIGB CCOc1ccc(-c2n[nH]c3c2[C@@H]([C@@H]2CC=CCC2)C(C#N)=C(N)O3)cc1 5130044 PKWDSJVWZHARNF-DYVFJYSZSA-N 362.433 4.002 50 40 FIGB CC(=O)NNc1nc(C)c(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)s1 5808919 HWFJSRNQHJTPKQ-XQRVVYSFSA-N 370.261 4.117 50 40 FIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 58883388 IKUTZLFJCVEDGZ-SSDVNMTOSA-N 368.868 4.358 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 20197504 UDFUPBGNSSURQL-CJLVFECKSA-N 353.466 4.086 50 40 FIGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cc1 31643716 FDWUJZBCJNZOEQ-DTQAZKPQSA-N 351.837 4.486 50 40 FIGB O=C(N/N=C/C(Br)=C\c1ccccc1)NC1CCCCC1 33406889 XKHDFIMXKSAKST-JOEZZVDMSA-N 350.260 4.040 50 40 FIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 33773070 BCBJVQRZGOJBLT-ATVHPVEESA-N 368.440 4.224 50 40 FIGB Cc1cc(N/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Br 57414042 ANEXQWSFKSWXKR-ACCUITESSA-N 356.223 4.216 50 40 FIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 59419182 DYTSHWHWUYNHRE-WSDLNYQXSA-N 353.809 4.162 50 40 FIGB CN1/C(=C(\C#N)C(=O)COc2ccc(Cl)cc2Cl)Nc2ccccc21 100815941 RBRWCVTZIVUIAA-LDADJPATSA-N 374.227 4.238 50 40 FIGB COc1ccc(Br)cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 107997286 NNFGXVQFUCXOQV-QPEQYQDCSA-N 359.179 4.430 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C 208438018 WNBAVZIJQYAMLT-OEAKJJBVSA-N 363.461 4.091 50 40 FIGB CN1/C(=C\C=N\NC(=O)c2ccc(Cl)cc2)C(C)(C)c2ccccc21 6368072 APLSTSXANJUHHV-MYECPZRPSA-N 353.853 4.367 50 40 FIGB C#CCn1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc21 409235798 BQYALMCTJZZILY-FJSNCCPHSA-N 353.425 4.059 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C(=O)O)cc2)c1 409250069 VYGYMVYHXAFRCP-LGMDPLHJSA-N 371.396 4.030 50 40 FIGB C[C@@H](Cl)[C@@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4844007 CPVUBAGICXSIAV-IAQYHMDHSA-N 350.827 4.322 50 40 FIGB CCCCCCOc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1 6297494 JLZBCUSJOKOIQS-XQNSMLJCSA-N 353.466 4.208 50 40 FIGB CCCOc1ccccc1/C=N\NC(=O)c1ccc(OCCC)c(OC)c1 6324721 KFGMVJKRDZSBOZ-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB COc1cc(C=C(C#N)C#N)ccc1OCc1ccc(Br)cc1 8471450 OKGCWVPKNPWGLL-UHFFFAOYSA-N 369.218 4.467 50 40 FIGB CCCCOc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19797662 HWWSFTYASYRFOB-TZIWHRDSSA-N 372.472 4.459 50 40 FIGB CCCCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408539788 JSCDSBMXSCRJBT-QNGOZBTKSA-N 369.421 4.318 50 40 FIGB COc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 408598509 BUQBMWPDLCCXSO-XYOKQWHBSA-N 352.375 4.136 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 657559 CTWAWXRNWLMZAP-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)cc1 714300 XLTDDJOCUIZNMZ-NRFANRHFSA-N 372.424 4.080 50 40 FIGB N#C/C(=C\c1cccn1-c1ccc(O)cc1)C(=O)Nc1ccccc1Cl 4600337 MMKSBBSIBZGZHX-WYMLVPIESA-N 363.804 4.382 50 40 FIGB N#CC(C#N)=Cc1ccc(OCc2ccccc2C#N)c(Br)c1 18193268 RGWJDWOIFWSIDV-UHFFFAOYSA-N 364.202 4.330 50 40 FIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1 59436993 YZGGPIWJCFNXAV-OVMKCGGTSA-N 352.381 4.336 50 40 FIGB Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccccc4)cc3C2)cc1 83318419 FURZCDPKHIVGNL-OYKKKHCWSA-N 355.441 4.279 50 40 FIGB O=C(N/N=C/c1ccc(Cl)s1)c1cc2cc([N+](=O)[O-])ccc2s1 108051943 PZYPWEAOHSYUEQ-FRKPEAEDSA-N 365.823 4.288 50 40 FIGB O=C(CSCc1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2 408719662 JHCTUMZBUBWWGR-YDZHTSKRSA-N 360.482 4.322 50 40 FIGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC 408800731 OZPXGFHWXCHNSI-NTEUORMPSA-N 356.809 4.211 50 40 FIGB N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccc(F)cc1 8812285 SXTYHIURGCIELN-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 27024539 HNNPFDXOMRZAJL-NDENLUEZSA-N 369.218 4.473 50 40 FIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1Br 58915757 GYCOVTJNQJXZQW-HWQJWEFDSA-N 363.280 4.080 50 40 FIGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/C=C/c1ccccc1Cl 3139893 VKWQHPUDVJIQLR-RQVUTRMESA-N 363.244 4.496 50 40 FIGB Cc1nc(NNC(=O)Nc2ccccc2)c2c3c(sc2n1)CCCC3 3331859 MLIYRQZLGBZKHN-UHFFFAOYSA-N 353.451 4.027 50 40 FIGB C/C(=N\NC(=O)CSc1cc(Cl)ccc1Cl)c1scnc1C 98054679 CQMBIQLTNUJQGF-GIJQJNRQSA-N 374.318 4.391 50 40 FIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c1 408811378 QWUVSDCWSLHBLL-NTEUORMPSA-N 356.809 4.211 50 40 FIGB Cc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 4185832 IZHJJCMLEHXFND-VHSSKADRSA-N 364.283 4.092 50 40 FIGB COc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)cc1OC 5621095 SUORHRXEWVWUOT-KEBDBYFISA-N 367.232 4.165 50 40 FIGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 7233660 IDVHAIMDPSSVKU-SRZZPIQSSA-N 364.804 4.040 50 40 FIGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(Br)cc1O 36093451 GHMRUNOHAHJNNA-WDZFZDKYSA-N 370.206 4.104 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Br 408590252 OJKFOOZWJZEJRD-GIJQJNRQSA-N 351.631 4.175 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccn3)c2C)c1 409245620 WQHNOQHOFYSBOY-UYRXBGFRSA-N 356.429 4.343 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1 4380697 ZAFZKKBFUYZGKM-OQKWZONESA-N 370.518 4.476 50 40 FIGB CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(N)=O 6355025 YCNXUQJFCSUUMV-LDADJPATSA-N 372.424 4.167 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c1 16409800 DSFRFGYQXRGCTC-MDWZMJQESA-N 357.207 4.003 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 207855363 BYLICSHVLHNPLY-LCYFTJDESA-N 371.780 4.193 50 40 FIGB Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(F)s3)o2)cc1 252498396 RBBCNLOUPKLTBS-KEBDBYFISA-N 358.394 4.132 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408797131 GGILXELCVGOIIQ-LDADJPATSA-N 362.429 4.423 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(OCC)c1O 408818518 XCIWUJKVACVQKR-WNLSLORLSA-N 368.477 4.121 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)c(C)c1 408885112 XTAKFOFGKONQEV-RIYZIHGNSA-N 371.234 4.317 50 40 FIGB O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)c1 409196384 ZVIMCDMACKLQBJ-NHDPSOOVSA-N 368.776 4.062 50 40 FIGB Cc1ccc(-n2nc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)c2O)cc1 6025303 XXPQGIFQWZDDME-PTNGSMBKSA-N 355.401 4.135 50 40 FIGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4cccc(C#N)c4)[nH]c(=O)c23)C1 14177254 ACSGVRGBXPTMFF-DGGAMASNSA-N 372.453 4.045 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(C)c1 20194753 LDOFPAINVDXZOZ-BUVRLJJBSA-N 359.473 4.404 50 40 FIGB CCCOc1ccccc1/C=N/NC(=O)c1ccccc1Br 26123487 XNDVDGPEWIFTBX-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB Cc1ccc(C(C)(C)C)c(OCC(=O)N/N=C\c2ccc(Cl)cc2)c1 32117059 XKMCCBJMFIQUCE-UUYOSTAYSA-N 358.869 4.475 50 40 FIGB C#CCOc1cccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c1 33349300 ZAMIXXUISPEOTM-IWIPYMOSSA-N 368.392 4.362 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)N1CCO[C@@H](c2ccccc2)C1 79494808 RETDYCDJYRLHEC-IAGOWNOFSA-N 351.537 4.301 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(OCC)c2)ccc1OC 408740246 FEPHCZPMQHLRSU-QGOAFFKASA-N 362.429 4.368 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1c1ccc(F)cc1 985812 CUDAGWUGBXQATJ-HNNXBMFYSA-N 366.783 4.087 50 40 FIGB O=[N+]([O-])c1ccc(C#Cc2ccc(N(CCCl)CCCl)cc2)cc1 1604052 HHEAICAUMGITOX-UHFFFAOYSA-N 363.244 4.279 50 40 FIGB CC(=O)N/N=C/c1cccc(OCCCOc2ccc(C(C)(C)C)cc2)c1 4674922 SJRKCBMMQYOBND-XQNSMLJCSA-N 368.477 4.302 50 40 FIGB C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1cccc(O)c1 12653480 OOQLKPRVQXMSHD-LFVJCYFKSA-N 371.440 4.431 50 40 FIGB CC(C)(C)c1cc(/C=N/NC(=O)c2cccc(O)c2)cc(C(C)(C)C)c1O 3098655 VFLYOKZLQYDBHD-YDZHTSKRSA-N 368.477 4.457 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 5707796 INVLPUYCUREPMV-GHRIWEEISA-N 350.418 4.420 50 40 FIGB Cc1ccc2c(c1)C(=C(C#N)C#N)C=C(c1ccc3c(c1)OCCCO3)O2 5956804 KUASWMZJJYDCFK-UHFFFAOYSA-N 356.381 4.391 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(Br)cc1)c1ccccc1 7157149 GNRDWHKVQBCQSN-XDUBLRSXSA-N 355.235 4.233 50 40 FIGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1 20243976 AHFIVZQDBOQTPP-HZHRSRAPSA-N 360.413 4.316 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 33339914 HEQSHEJYYNLSCW-RAXLEYEMSA-N 357.207 4.003 50 40 FIGB Cc1ccn2c(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c(C)nc2c1 59459792 SVZCGQMONSFNFD-AWQFTUOYSA-N 361.232 4.022 50 40 FIGB C=CCn1c(C)c(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21 111464657 DPAMQKUWQOZFPQ-RGEXLXHISA-N 355.441 4.359 50 40 FIGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)c3ccccc3O)cc21 208459093 VQOJBVUBDHPFDM-QRVIBDJDSA-N 363.461 4.096 50 40 FIGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Cl)c1O 408691585 GTAGREFMCNSWEX-AUWJEWJLSA-N 353.809 4.401 50 40 FIGB CC(C)c1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c1O 408853579 PUCJQPXAXFPIEH-SRZZPIQSSA-N 369.421 4.311 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)cc1 408786239 HSIRHIVAHVARMX-GXDHUFHOSA-N 356.809 4.293 50 40 FIGB Cc1c(/C=N/NC(=O)c2cccnc2)c2ccccc2n1Cc1ccccc1 859681 LPTBQRTUBRUBSD-MFKUBSTISA-N 368.440 4.157 50 40 FIGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(Cl)nc(Cl)c1 2142074 HLEQQHDGZQCYLU-NGYBGAFCSA-N 363.031 4.459 50 40 FIGB CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccccc2)cc1 4631432 ANKYINLYUDLBKT-SMEDBKPVSA-N 370.456 4.423 50 40 FIGB Cc1ccc(SCC(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1 8515592 QJDUIQXYHSVJDV-UFFVCSGVSA-N 352.381 4.256 50 40 FIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2773785 MNJBYOVELNKDCF-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB N#CC1=C2SCN(C3CCCC3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1 20348108 LQIWUJKUOMNWSA-INIZCTEOSA-N 373.909 4.297 50 40 FIGB C/C(=N\NC(=O)Cc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 98054919 QIZYXFCTBSAVSH-KOEQRZSOSA-N 368.440 4.108 50 40 FIGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1OC(C)C 212595524 BVKKQKDYVSVRDU-PTNGSMBKSA-N 354.381 4.167 50 40 FIGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)c3ccco3)cc21 223478420 WHDZEJZCRTYCJQ-XKZIYDEJSA-N 351.450 4.454 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 408745536 NMUAXCDOHFMMNP-JYRVWZFOSA-N 371.780 4.193 50 40 FIGB C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)cc1 409003317 ZLIDOHYHUMNGIU-JLPGSUDCSA-N 373.456 4.423 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OC 409070731 GOAQPDHDMLHDQD-LFIBNONCSA-N 366.392 4.117 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)c(F)c1 1052785 BKYXTHWHQNSPKN-WSDLNYQXSA-N 365.389 4.205 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 1453408 TYZPYEHEZJQGAN-XDHOZWIPSA-N 351.387 4.087 50 40 FIGB CCN(CC)CCOc1ccc(/C=C(/C#N)c2ccc(OC)cc2)cc1 1689674 OWOAJTONDAKLLY-SILNSSARSA-N 350.462 4.480 50 40 FIGB CCOC(=O)c1c(C)[nH]c(C=C(C#N)C#N)c1Cc1cccc(Cl)c1 3416120 QUZUYUCEJHMZQI-UHFFFAOYSA-N 353.809 4.175 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2c(O)ccc3ccccc23)[C@H]2CCCC=C12 33858629 JAUBTEDAQPUMCS-LAUBAEHRSA-N 366.424 4.139 50 40 FIGB CCOc1cc(C)c(/C=N/NC(=O)c2cccc(OC)c2)cc1C(C)C 408852193 JIUSUEKBRARDEZ-LPYMAVHISA-N 354.450 4.290 50 40 FIGB Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)cc1 5728597 RQVBYUSNNBIDDO-CLXYIWAZSA-N 374.419 4.309 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(F)cc1 5739700 DZJXDTPPORVJPX-MOSHPQCFSA-N 373.431 4.457 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccncc1 13661469 PTNPDMYEYNATGG-QQXSKIMKSA-N 366.424 4.451 50 40 FIGB Cc1ccc(OCc2nc(C)c(C(=O)NN(C)c3ccccc3)s2)cc1 17642256 YFLWFGQASNTMIN-UHFFFAOYSA-N 367.474 4.120 50 40 FIGB CCCCC/C(=N\NC(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1 18192327 AEHPPVJVSHCDGB-FCDQGJHFSA-N 368.477 4.347 50 40 FIGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NN(Cc1ccccc1)c1ccccc1 32255621 XNDBGFNWXBWPCM-SFHVURJKSA-N 371.440 4.064 50 40 FIGB Cn1c(/C(C#N)=C/c2cnn(-c3ccc(Cl)cc3)c2)nc2ccccc21 40139632 JBIBJHCBRDXVSK-XNTDXEJSSA-N 359.820 4.477 50 40 FIGB N#C/C(=C\Nc1ccc(F)cc1Br)C(=O)Nc1ccccc1 57414029 SHNJTXWGXXCSRL-ZHACJKMWSA-N 360.186 4.046 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 409113454 GDIWQSWNCCXPEG-GXPOEHQZSA-N 356.491 4.415 50 40 FIGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 626523 UKAIGZANXWUDSY-IBGZPJMESA-N 353.853 4.404 50 40 FIGB O=C(CCl)N(Cc1ccco1)c1nc(-c2ccc(F)cc2)cs1 932851 QHMSRTNTRPJDEA-UHFFFAOYSA-N 350.802 4.314 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)cc1 7384123 QDFXAWNIEJRMNL-CIAFOILYSA-N 362.260 4.358 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccccc1 13923915 ZAOIQCXPETWMEH-HAHDFKILSA-N 354.413 4.384 50 40 FIGB C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2193826 NZRBLOSRZNKWLW-INIZCTEOSA-N 360.866 4.128 50 40 FIGB Cc1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)c1 100868237 BKXQNFXEAWFQFH-MORSLUCNSA-N 364.283 4.092 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)NCCCOC)c2ccccc12 408815635 XLKPOTBJZRMJMM-OBGWFSINSA-N 366.461 4.078 50 40 FIGB C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1ccc(C)cc1C 409356349 MNTBZJAHHKFYPY-KGENOOAVSA-N 374.282 4.018 50 40 FIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1ccc(Cl)cc1Cl 20086227 WPVYCXPARZMVER-HNNXBMFYSA-N 356.216 4.161 50 40 FIGB Cc1ccc2nc(Br)c3c(c2c1)O[C@@H](CBr)C3 640969 MWUYARNFAOQTSV-MRVPVSSYSA-N 357.045 4.004 50 40 FIGB C/C(=N\NC(=O)[C@H]1CC1(C1CC1)C1CC1)c1cccc(Br)c1 12362269 APKXLSUWNNFIIN-MBTVCVBTSA-N 361.283 4.116 50 40 FIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C(=O)O 13345033 NRGQZTDEPRQIDY-YRNVUSSQSA-N 361.184 4.237 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1 14003081 UAZMOIRIGKTLLA-YBFXNURJSA-N 365.658 4.185 50 40 FIGB Fc1cccc(Br)c1P(c1ccccc1)c1ccccc1 95611979 KFHJTWSSCAYHCB-UHFFFAOYSA-N 359.178 4.346 50 40 FIGB CC(C)(C)c1csc(NC(=O)/C(C#N)=C\C2=Cc3ccccc3OC2)n1 98054176 DOYFEUUAVFUKCH-DHDCSXOGSA-N 365.458 4.305 50 40 FIGB O=C(N/N=C/c1c(O)ccc2oc3c(c12)CCCC3)c1ccccc1Cl 2281021 PHZUTLWCDVWUOX-SSDVNMTOSA-N 368.820 4.435 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4737511 PZPYOIWDOHZATC-HZHRSRAPSA-N 353.510 4.199 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(F)cc2)sc(C)c1C 5016819 OVFFDDCAZMJQBK-ZROIWOOFSA-N 372.421 4.226 50 40 FIGB C/C(=C\c1ccccc1)C(=O)N/N=C(\C)CC(=O)Nc1ccc(C)cc1C 5698165 ZQRUNLKMKSAOIH-LHHINWTCSA-N 363.461 4.228 50 40 FIGB N#CCn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21 6897068 DHRJYVHQUZKKSH-ZVHZXABRSA-N 352.397 4.082 50 40 FIGB O=C(N/N=C/c1ccccc1)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 9087612 KKWHDOYWCRNSOS-KEBDBYFISA-N 359.216 4.147 50 40 FIGB CC1=C(Cl)C(=O)[C@@](C)(Cl)[C@@H](Cl)/C1=N\C(=O)c1ccc(C)cc1 16779937 UXIHZFQSBZZYTN-XLNABJLKSA-N 358.652 4.277 50 40 FIGB CCOc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3n1C)O[C@@H](C)C2 21322877 NLKSTJNBAUCFPQ-FBJMNJBLSA-N 359.429 4.360 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC 408583595 VQXGVKYTGLTUOA-LDADJPATSA-N 363.413 4.179 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(C)cc1OC 409051579 FCQOBKDORRUOKZ-SRZZPIQSSA-N 360.841 4.128 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)cc1 3617314 OJUCRRJUGIVRNY-MHWRWJLKSA-N 351.349 4.352 50 40 FIGB COc1ccc2cc(C(=O)NNc3ccc(C)c(Cl)c3)c(C)nc2c1 30554404 XALOOSCNOGREAV-UHFFFAOYSA-N 355.825 4.271 50 40 FIGB COc1ccc(OC)c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1 659707 RRVWFTKNGSKQOB-YDZHTSKRSA-N 374.396 4.367 50 40 FIGB O=C(c1cccc([N+](=O)[O-])c1)[C@H](Cl)[C@@H](Cl)c1ccc([N+](=O)[O-])cc1 1685407 JUSDBJXTMHJMBL-UONOGXRCSA-N 369.160 4.273 50 40 FIGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccc(Cl)cc1 2674644 SSPRJHZINNMOIX-HMASQMOLSA-N 351.233 4.219 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(Cl)c1 4827540 LKNHYWNXCJHUKV-FBCYGCLPSA-N 357.624 4.425 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 9201013 DTVMOZMJXGADBY-SRZZPIQSSA-N 367.336 4.066 50 40 FIGB O=S(=O)(NC[C@H](Cl)c1ccccc1)c1ccc(Cl)cc1Cl 33525309 WQWTYZSOQFHNBP-ZDUSSCGKSA-N 364.681 4.252 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1)c1ccccc1 207828689 UPEMNNQTQOESCK-RWZYYMRUSA-N 359.473 4.461 50 40 FIGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccn3)cc21 208245085 MLSZXRXCKVROHD-GHONEHJGSA-N 370.884 4.221 50 40 FIGB N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)C(=O)NC1CCCC1 409189050 HXZZMHUKTHAMLK-SDXDJHTJSA-N 359.473 4.406 50 40 FIGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc(Cl)c1 805167 YSUMLYQXLSJRCC-SRZZPIQSSA-N 373.243 4.251 50 40 FIGB Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c21 5818613 CGQPDJRIVNYREQ-INIZCTEOSA-N 362.820 4.257 50 40 FIGB Cc1ccc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1 20237944 KRPOTLXPFGMPCY-SFHVURJKSA-N 367.518 4.343 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1ccco1 55041149 CRTVULMTMNLPHL-NVMNQCDNSA-N 374.396 4.265 50 40 FIGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccoc3C)o2)cc1Cl 67197047 SXLLTLPWGVZNDH-KEBDBYFISA-N 358.781 4.274 50 40 FIGB C[C@H](Cn1cccn1)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1 97977132 KNCKEUREWGBGCE-SNVBAGLBSA-N 355.332 4.359 50 40 FIGB CCCCCCSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 2295017 WFEOHTSSLGOOKV-HNNXBMFYSA-N 359.451 4.247 50 40 FIGB CCOC(=O)c1oc2ccc(Br)cc2c1CBr 3272780 IJNRHLPIIQOQNF-UHFFFAOYSA-N 362.017 4.267 50 40 FIGB O=C(N/N=C/c1ccc[nH]1)c1ccccc1OCc1ccccc1Cl 3359815 LJZKQBQSFACXRQ-WSDLNYQXSA-N 353.809 4.011 50 40 FIGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(N)=O 5904509 DZCIUEWIIRRYQP-LFIBNONCSA-N 362.816 4.464 50 40 FIGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1 9008034 PYFCCGSGFRBJCB-DEDYPNTBSA-N 368.462 4.081 50 40 FIGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccs2)cc1 58871196 WIXBIIWRUVBGRG-FYJGNVAPSA-N 363.442 4.073 50 40 FIGB NC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408892455 ZMMMGXKVWUOXHY-IFRROFPPSA-N 372.639 4.228 50 40 FIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc(Cl)c3Cl)n2c1 409012341 QQDAHNGVIUCUKC-DNTJNYDQSA-N 361.232 4.022 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Br)c2)c1C 409064502 CQHNAVUZUQQKTJ-OQLLNIDSSA-N 373.250 4.327 50 40 FIGB N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccccc1 714170 AEQYXIFYQSNERK-FQEVSTJZSA-N 359.404 4.130 50 40 FIGB N#C/C(=C\c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 3252191 QUMTZKQFCIYICX-NTUHNPAUSA-N 356.205 4.471 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 4551222 KHUSRKHWCSHQEP-ATVHPVEESA-N 372.380 4.499 50 40 FIGB C/C(=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4646874 ZZCICOLLNZVDRG-BKUYFWCQSA-N 355.438 4.225 50 40 FIGB N#C/C(=C\c1cccn1-c1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1 4818283 FICAFHDERKYFEL-NTCAYCPXSA-N 354.369 4.116 50 40 FIGB Cc1cc(SC#N)cc(C)c1NC(=O)C[C@@](C)(C(=O)O)c1ccccc1 13469825 YKFLPMOTDMERSA-HXUWFJFHSA-N 368.458 4.248 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1O 408761246 DHDAXGSYMQNUOV-WOJGMQOQSA-N 358.397 4.490 50 40 FIGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1c(C)ccc2ccccc12 408876944 RFSURBDXGMSXKA-WOJGMQOQSA-N 372.424 4.128 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)cc1 2080303 ZMHKRWIFIZFUDX-OEAKJJBVSA-N 368.477 4.436 50 40 FIGB COc1ccc(-c2ccc(/C=N\NC(=O)Cc3cccs3)o2)cc1Cl 4504795 XYTMJILNRZLUPG-JAIQZWGSSA-N 374.849 4.363 50 40 FIGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(Br)c1 5893165 JIOAKYSLHBPASE-UIPUUYQRSA-N 357.251 4.093 50 40 FIGB N#C/C(=C/c1ccc(N2CCCCC2)c(F)c1)C(=O)Nc1ccc(O)cc1 33703191 CCQQABHQYWZQGD-VBKFSLOCSA-N 365.408 4.067 50 40 FIGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccnc1 38404188 XXKKUXZOTNOOOQ-FMCGGJTJSA-N 365.820 4.078 50 40 FIGB CC/C(C)=N/O[Si](O/N=C(\C)CC)(O/N=C(\C)CC)c1ccccc1 169809310 XKBQRJBETDMEFN-ILRZCOILSA-N 363.534 4.240 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(OCC)c1O 408818515 XCIWUJKVACVQKR-OWTRVTINSA-N 368.477 4.121 50 40 FIGB N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 954191 BSVGORBCAOYASK-MHWRWJLKSA-N 363.417 4.419 50 40 FIGB O=C(Cc1cccs1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 1106550 RDEKAZABCJOUPH-OEAKJJBVSA-N 373.481 4.444 50 40 FIGB O=C(CCCl)Nc1ncc(Cc2ccc(Br)cc2)s1 2669397 FTPAIRMFXLUEFG-UHFFFAOYSA-N 359.676 4.064 50 40 FIGB CCOc1cc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)ccc1OC 12981496 XSMAIYBRRLSXKK-QPJJXVBHSA-N 360.837 4.477 50 40 FIGB CCCCCCCC(=O)N/N=C/C(C)=N/NC(=O)CCCCCCC 100834515 UPLZMXFAURTUCF-NWILIBCHSA-N 352.523 4.302 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 409134857 PTVCNSLOPZWBJX-HFITWMCCSA-N 372.490 4.033 50 40 FIGB C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1cc(C)ccc1C 409353327 JDIVASSCWSKEJO-KGENOOAVSA-N 374.282 4.018 50 40 FIGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4953636 PLMPCHVYWPPENS-IZZDOVSWSA-N 362.172 4.447 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC 6949227 QFUVLVYZWGXLSV-ATVHPVEESA-N 350.418 4.338 50 40 FIGB C/C(=N/NC(=O)c1cccc(Br)c1)c1ccc(Cl)s1 13306725 DRRDYNVCUSTLSR-PXNMLYILSA-N 357.660 4.318 50 40 FIGB CN(C)c1ccc(/C=C(/C#N)c2nc(O)c3cc(Cl)ccc3n2)cc1 33471679 FOBHFSZKVPSKCK-LCYFTJDESA-N 350.809 4.119 50 40 FIGB Cc1ccc2cc(/C=N/NC(=O)CSc3ccccc3)c(Cl)nc2c1 408726453 BNWNYBJXPUZFJE-SRZZPIQSSA-N 369.877 4.439 50 40 FIGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(O)c3)c2C)cc1 408759989 POULCKFYEYXYFG-UCQKPKSFSA-N 361.445 4.126 50 40 FIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(F)c2)o1 409016515 CXVFJGOGUCTSNB-SSDVNMTOSA-N 372.783 4.268 50 40 FIGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 1453877 BOWLOJOTNOJANA-GHRIWEEISA-N 350.418 4.418 50 40 FIGB N#C/C(=C/c1c(Cl)nc2ccccn12)C(=O)Nc1ccc(Cl)cc1 3239651 BYVQRGWIOAFQMM-LUAWRHEFSA-N 357.200 4.187 50 40 FIGB O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1ccc(Cl)cc1 4380718 IOHUKLIYAYKTNF-MOSHPQCFSA-N 374.771 4.323 50 40 FIGB C/C(CC(=O)Nc1cccc(C)c1C)=N\NC(=O)c1cccc(Cl)c1 4691246 KNMFWSWJDGJDHC-LPYMAVHISA-N 357.841 4.091 50 40 FIGB O=C(CCCC[C@H]1CCSS1)N1CCN(c2ccc(F)cc2)CC1 61471022 PCMGRZMPFFQIQZ-KRWDZBQOSA-N 368.543 4.188 50 40 FIGB CCCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846194 LELXNFPONUYHPN-NRFANRHFSA-N 363.461 4.446 50 40 FIGB CCCOc1ccc(/C=N\NC(=O)COc2cc(C)ccc2C(C)C)cc1 31858900 PSPLLMMXKOVYAY-UCQKPKSFSA-N 368.477 4.436 50 40 FIGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1c[nH]c2ccccc12 40447806 ZYUOFEPXJYEVRP-YNNOXIHVSA-N 357.413 4.239 50 40 FIGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(C)cc1C 408533975 UIWSTMNATRMDGN-ZVHZXABRSA-N 363.383 4.275 50 40 FIGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1 408881129 IAFKTWLBFMRLBY-QGOAFFKASA-N 356.381 4.172 50 40 FIGB CCc1ccc(CC(=O)N/N=C\c2ccc(C)c(Br)c2)cc1 409361221 BBBIDXHYDBRHIQ-NDENLUEZSA-N 359.267 4.013 50 40 FIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C 409388783 WGLQFYWIRUJKKU-DEDYPNTBSA-N 358.445 4.190 50 40 FIGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(C)o3)s2)cc1 1453255 WUUVJQHUQUELHH-MHWRWJLKSA-N 363.442 4.489 50 40 FIGB CCCCCCOc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 2078204 VLMAAMJQHWCKKV-RCCKNPSSSA-N 369.421 4.318 50 40 FIGB O=C(NN=C1CCCCCC1)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 6926507 YHEMMHAMAFQNDN-UHFFFAOYSA-N 371.393 4.207 50 40 FIGB CCOC(=O)/C(C#N)=C1\C=C(c2ccc(OC)cc2)Oc2ccc(C)cc21 31857591 IIGACYJXGNCYET-HTXNQAPBSA-N 361.397 4.277 50 40 FIGB Cc1ccc(SCC(=O)N[C@H](N=C=S)C(Cl)(Cl)Cl)cc1 57291955 MQFOPHYKNXJYPT-NSHDSACASA-N 369.726 4.002 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c2C)cc1 408977610 JFAOAEHTQGLLLA-UDWIEESQSA-N 358.445 4.463 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OC 409065551 JHDLEBJVNHXGTN-LDADJPATSA-N 362.429 4.286 50 40 FIGB CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409240856 IOBUGVKPSZCOMJ-FBHDLOMBSA-N 369.223 4.224 50 40 FIGB Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2C1 4923205 FSRSAKNSTJWEDN-KRWDZBQOSA-N 361.470 4.215 50 40 FIGB C/C(=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccc(C)cc1 6190013 GFPBQLDGTSSHBE-NKFKGCMQSA-N 360.461 4.011 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 12515041 SNBQNDVQCIVCRR-AFUMVMLFSA-N 366.424 4.369 50 40 FIGB COc1cc(NC(=O)CCCC[C@H]2CCSS2)cc(OC)c1OC 28309359 OSNXLIXFCYCBBN-ZDUSSCGKSA-N 371.524 4.365 50 40 FIGB biogenic CN(C)c1ccc(/C=N\NC(=O)c2cccc3ccccc23)c(Cl)c1 31672178 DRFOYVAYYXQSPB-XKZIYDEJSA-N 351.837 4.323 50 40 FIGB CC(=O)Oc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 33333087 FZCZZABZCQZPPO-QRVIBDJDSA-N 372.380 4.275 50 40 FIGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccco2)c2ccccc21 409371276 GXHAUQSRTMGLAB-YDZHTSKRSA-N 357.413 4.355 50 40 FIGB O=C(CNC1CCCCC1)N/N=C/c1c2ccccc2cc2ccccc12 409389414 YSSXIMGAKDCGJG-MFKUBSTISA-N 359.473 4.365 50 40 FIGB CC1(C)CC(OP(=O)(c2ccccc2)c2ccccc2)CC(C)(C)N1O 1556668 UFDXODLKHCSOQM-UHFFFAOYSA-N 373.433 4.343 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc(C)c1 59334769 JSBPSIMXSLDNNH-STZFKDTASA-N 360.457 4.298 50 40 FIGB Cn1c(/C(C#N)=C\c2cnc(-c3ccccc3)nc2)nnc1-c1ccccc1 63412842 OKJQOHQZTPEKQV-UNOMPAQXSA-N 364.412 4.003 50 40 FIGB COc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(Br)c2)cc1 71795568 MAFLUAORTHGMBK-JYRVWZFOSA-N 360.182 4.387 50 40 FIGB COC(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 2293429 TYIWAYMNAZNJFK-DJKKODMXSA-N 353.205 4.262 50 40 FIGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 4620491 LZCJEAAFNDFFBL-KRWDZBQOSA-N 360.244 4.278 50 40 FIGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(F)cccc2Cl)cc1 7164918 RFAWXVRRSJGEJH-JLHYYAGUSA-N 372.783 4.201 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCCC)c(OC)c2)cc1 20197894 BGQOBJYFSOELJQ-PXLXIMEGSA-N 370.449 4.037 50 40 FIGB N#C/C(=C\C(Cl)=C/c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 84515115 HDEMVWNRXOMDFI-YUCRUYSYSA-N 366.804 4.126 50 40 FIGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4[C@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118914920 XNFPSGMHGPKVAT-XYVRKJMSSA-N 369.343 4.333 50 40 FIGB O=C(CCl)Nc1ccc2oc(-c3ccccc3Br)nc2c1 226327770 LFTJQLXRBIQILN-UHFFFAOYSA-N 365.614 4.435 50 40 FIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccccc1C(F)(F)F 408871594 ZVZQSDYIURMXIW-LSHDLFTRSA-N 366.408 4.397 50 40 FIGB C/C(CC(=O)Nc1ccc(C)cc1C)=N\NC(=O)[C@H](C)Cc1ccccc1 5793527 LBZYCVHYIVUAKC-GNCLFBLESA-N 365.477 4.003 50 40 FIGB CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2)c(SC#N)c1C 10697481 DGFLEBRMXWGHHH-UHFFFAOYSA-N 374.487 4.296 50 40 FIGB C/C(=N/NC(=O)c1cccs1)c1ccc(NC(=O)C2CCCCC2)cc1 17075761 DIJCWYWBXRQURA-HMAPJEAMSA-N 369.490 4.421 50 40 FIGB O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccc(F)cc1 59445065 OKQBHXIONZMXBX-BUVRLJJBSA-N 362.404 4.098 50 40 FIGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl 408795908 NMTLKYYDGHHFCY-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1 941108 ZMLPRCYNUOCXHV-JLHYYAGUSA-N 357.207 4.003 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OC 2233158 FVVKNYOBJYHNRV-GZTJUZNOSA-N 350.418 4.256 50 40 FIGB Cc1ccccc1N1CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2C1 4412427 ZGNMIDNAMUBRAN-CQSZACIVSA-N 367.499 4.276 50 40 FIGB CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OC(C)=O 5399273 UGKILEXNFNARCE-MHWRWJLKSA-N 361.401 4.260 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)NCC1([C@H](O)c2ccccc2)CC1 89825944 CWKYTBKGAIPYJT-SJLPKXTDSA-N 365.564 4.331 50 40 FIGB CC(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 1100991 ZCAKQZXSHIYBMF-FRKPEAEDSA-N 373.659 4.317 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 1193116 JFUHBTZLKYHHSA-WSDLNYQXSA-N 368.820 4.438 50 40 FIGB N#CC(C#N)=Cc1ccccc1OCCOc1ccc(Br)cc1 4616402 ABJTVGHXQGRPMK-UHFFFAOYSA-N 369.218 4.337 50 40 FIGB Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc1 1444643 VINPUUQDSGMVEC-OEAKJJBVSA-N 360.413 4.044 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCCCC1 1698281 OVZBRNJFFQZLFD-QTCOBDOFSA-N 355.869 4.017 50 40 FIGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccn1-c1ccccc1 4083221 BHWWJEVICZRXKM-ZVHZXABRSA-N 371.362 4.189 50 40 FIGB N#CC(C#N)=C1C=C2C=C(N3CCN(Cc4ccccc4)CC3)CC[C@H]2CC1 22036160 QQQGOAIYCLQLRH-HXUWFJFHSA-N 370.500 4.162 50 40 FIGB Cc1cc(C)[n+]2c(c1C#N)SC[C@H]2[C@@H](Br)c1ccccc1 1444013 DQZFJJZXVHQIGO-HOTGVXAUSA-N 360.300 4.246 50 40 FIGB CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 5408185 NSZOVQMLUZJJAF-MRXNPFEDSA-N 362.458 4.480 50 40 FIGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc2c(c1)CCCC2 9355343 QRNDNJIHTQJZNO-FYJGNVAPSA-N 371.278 4.482 50 40 FIGB O=C(/C=C/c1ccc2c(c1)OCO2)NN(c1ccccc1)c1ccccc1 32999490 ULWBOZYFLVPOCT-WYMLVPIESA-N 358.397 4.298 50 40 FIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1 408882457 PDYGXTMAKHAFAE-NTEUORMPSA-N 356.809 4.211 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccn1 409244797 IWORVNLWAQMFDK-XESZTULISA-N 370.456 4.274 50 40 FIGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1085506 SPRIXULGMKWCOL-PCXKXAPESA-N 369.421 4.028 50 40 FIGB CN1/C(=C\C=C(/C#N)c2nnc3n2CCCCC3)C(C)(C)c2ccccc21 5069599 DXYOMAJUBVEKEN-UBSBAQTRSA-N 359.477 4.223 50 40 FIGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccccc3)c2c1 5720931 YFGAOEYZLMOXKK-FOWTUZBSSA-N 358.397 4.403 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/C=C/c1ccc(N(C)C)cc1 6714135 BQJGSFDIQMPWSM-WDTMVEHESA-N 373.456 4.343 50 40 FIGB Cc1cccc(NC(=S)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1C 8685021 CDAPYQPMGBZKAR-NSHDSACASA-N 373.547 4.121 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7386323 HSPHGPZZQYDMEJ-CSUZIONRSA-N 365.477 4.228 50 40 FIGB CCCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 8846193 LELXNFPONUYHPN-OAQYLSRUSA-N 363.461 4.446 50 40 FIGB O=C(N/N=C\c1ccccn1)c1cc(-c2ccccc2)nc2ccccc12 15987932 XLOFTZPVFHISJO-IWIPYMOSSA-N 352.397 4.061 50 40 FIGB O=C(CCSc1ccccc1)N/N=C/c1ccccc1C(F)(F)F 59473787 CUXIEEHGJPXORU-CIAFOILYSA-N 352.381 4.338 50 40 FIGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(O)cc1O 100040625 IIFAZHTUEFVZLS-DJKKODMXSA-N 360.822 4.120 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)c(OCC)c1 408599468 VJEZQYKDZHFHNR-HZHRSRAPSA-N 362.429 4.401 50 40 FIGB CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 408871134 XXEFFJDZTISRSW-AWNIVKPZSA-N 371.780 4.193 50 40 FIGB O=[N+]([O-])c1ccc2c(c1)Cc1cc(N(CCCl)CCCl)ccc1-2 1614571 CAXUUILTLWSPEC-UHFFFAOYSA-N 351.233 4.450 50 40 FIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5766011 VLDQQTIWJPLQET-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB C/C(CC(=O)Nc1ccc(C)cc1C)=N\NC(=O)[C@@H](C)Cc1ccccc1 5793525 LBZYCVHYIVUAKC-QYODFIHFSA-N 365.477 4.003 50 40 FIGB O=C(N/N=C1\CCCC[C@H]1C1CCCCC1)[C@H]1COc2ccccc2O1 5865509 RRCHERBZSXBACC-NWPJUBJYSA-N 356.466 4.069 50 40 FIGB CC(=O)N(c1nc(/C=C(\C#N)c2ccccn2)cs1)c1ccccc1F 7155388 XEXJYOSCYXQCHE-GXDHUFHOSA-N 364.405 4.426 50 40 FIGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCc1csc(C)n1 7273290 SYBRPDPPCKUSGW-CXUHLZMHSA-N 363.442 4.498 50 40 FIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(Cl)cc1 59473089 YHPYFSSHMSCFQG-DJKKODMXSA-N 353.274 4.377 50 40 FIGB CCOC(=O)c1sc(NC(=O)CCCC[C@@H]2CCSS2)nc1C 96115240 FBPSRWYMGASBAN-LLVKDONJSA-N 374.553 4.281 50 40 FIGB biogenic CCCCCN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2)c2ccccc21 102984366 QPFIGCFDQDJOKG-PYCFMQQDSA-N 369.852 4.011 50 40 FIGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)C2=C(O)CCCC2=N1 104141200 GWVUMWIKLZWDQH-SFHVURJKSA-N 368.458 4.171 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1 409120209 VBEUOQOIYJXKCU-RCCKNPSSSA-N 354.475 4.192 50 40 FIGB C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc(Cl)c1 3167280 NXLUZIKLRINZEN-CYGNYLSHSA-N 352.821 4.411 50 40 FIGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 4614593 NCAFCUIRXUGIRO-UHFFFAOYSA-N 355.507 4.232 50 40 FIGB Cc1ccccc1[C@H]1CC(=O)N2CN(c3ccccc3)CSC2=C1C#N 4922638 KQXHGOKYFPJMDY-GOSISDBHSA-N 361.470 4.215 50 40 FIGB Cc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)o1 6619185 NQCVSCVBBBSZAO-ZDIKFAODSA-N 351.431 4.075 50 40 FIGB N#C/C(=C/c1cc2c(cc1Br)OCO2)c1ccc(C#N)cc1 17073130 YFWNNKZCBKSVPA-RZNTYIFUSA-N 353.175 4.114 50 40 FIGB COc1ccc(CCCC(=O)NN=Cc2c(Cl)cccc2Cl)cc1 245380108 RPYRJFGHYONKDF-UHFFFAOYSA-N 365.260 4.475 50 40 FIGB Cc1cccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)c1 408822714 SQMWVJTXHJRKJF-ZVHZXABRSA-N 355.441 4.279 50 40 FIGB N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1 409189842 JHAVGSIJJMPEFM-KAMYIIQDSA-N 373.378 4.462 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(F)cc1)c1ccccc1 409245795 ZECSBWOAYFCWDO-VVZNPABPSA-N 359.404 4.401 50 40 FIGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3294056 VQWJWXYFBUOLQW-AWNIVKPZSA-N 374.227 4.497 50 40 FIGB C[C@]12CC[C@H](c3nc4ccccc4nc31)[C@@]2(C)CI 4227985 TVZHYSHWUAPAPP-HPEXNQPKSA-N 364.230 4.220 50 40 FIGB C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccccc1O 6720113 HBKWSXFVDWSRDK-LFVJCYFKSA-N 371.440 4.431 50 40 FIGB COc1ccc2c(c1)CCC/C2=N\NC(=O)CSc1ccc(Cl)cc1 12371508 PUBHPPYOHAMAKD-DYTRJAOYSA-N 374.893 4.298 50 40 FIGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(C)cc2C)cc(OCC)c1O 28630457 CZEPRQAJWJXVQZ-XKZIYDEJSA-N 367.449 4.292 50 40 FIGB CSc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 58915619 VOSMWMVRUBETAY-VXLYETTFSA-N 364.923 4.445 50 40 FIGB CC(C)/C(=N\NC(=O)CNc1ccc(Br)cc1)c1ccccc1 408691897 WWNBGHKPCOGUJV-RELWKKBWSA-N 374.282 4.038 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccccc2Br)c1 408745085 JPZZVHXECFXAPM-UVTDQMKNSA-N 371.234 4.393 50 40 FIGB C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)CCC)cc2)C1 671337 GWIFQFZNKYMLLT-BUVGWWEQSA-N 353.466 4.443 50 40 FIGB O=P(CCl)(CCl)OCCOP(=O)(CCl)CCl 1774505 TXSVZYQPBMKJFS-UHFFFAOYSA-N 351.918 4.361 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1 5221358 JPDGAMOFWLFJMJ-JJIBRWJFSA-N 358.441 4.368 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 8371241 MSYYXYOMHAERSB-UDWIEESQSA-N 364.361 4.319 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)cc1 408744916 OADBJNSIXOCPFF-SSZFMOIBSA-N 370.412 4.109 50 40 FIGB Cc1cccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)c1 409223166 FHSGPEWDULELAP-LPYMAVHISA-N 354.450 4.333 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 858069 DDGIYSJZSNEAQN-FYJGNVAPSA-N 368.437 4.282 50 40 FIGB N#C/C(=C\c1ccccc1I)c1nc2ccccc2[nH]1 3946917 VMEJUSGPKQXNLY-FMIVXFBMSA-N 371.181 4.232 50 40 FIGB Cc1cc(C)nc(NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 13003580 HOWWMPWXKKQRBE-GOSISDBHSA-N 364.474 4.070 50 40 FIGB CC(=O)Nc1ccc(CC(=O)NN(c2ccccc2)c2ccccc2)cc1 32737981 ODMAJNQSGORIQO-UHFFFAOYSA-N 359.429 4.057 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1O 59302620 LCUJJYPCJHYQLE-WJDWOHSUSA-N 366.392 4.204 50 40 FIGB O=C(Cc1ccccc1)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 409067751 PRSCOUFBMHSPBF-BUVRLJJBSA-N 362.404 4.098 50 40 FIGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccccc1 409112080 KBGBEYYDCUOAIN-DJKKODMXSA-N 353.274 4.377 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1O 4149586 MAOGELZZCARYJW-IZZDOVSWSA-N 370.206 4.104 50 40 FIGB COc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 4150134 ODRSTQCAEXNFAK-XYOKQWHBSA-N 354.207 4.398 50 40 FIGB CC(C)=NNC(=O)c1ccccc1CC(O)(c1ccccc1)c1ccccc1 5080428 FDKOBNMRWFVCFK-UHFFFAOYSA-N 372.468 4.291 50 40 FIGB O=C(COc1ccccc1)N/N=C(\C=C\c1ccccc1)c1ccccc1 12375748 WSKHTPVULYIGBX-KOARNGDQSA-N 356.425 4.299 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c(C)n1CC(C)C 15355544 IEZTVIZFVZREEH-KNDGBBJPSA-N 369.292 4.405 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 245380454 ZMEYSZLLVYTWAR-OZLAUFRPSA-N 367.449 4.374 50 40 FIGB C=C1CC(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)C1 408729451 FJYCVZYMOXVPAQ-OEAKJJBVSA-N 364.445 4.081 50 40 FIGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408794175 IDVBLBKKGSLJOL-UKTHLTGXSA-N 372.211 4.441 50 40 FIGB Cc1ccc(C)n1-c1ccsc1-c1cc2nc(CCl)cc(O)n2n1 8873465 IEUAFECHBAASNW-UHFFFAOYSA-N 358.854 4.310 50 40 FIGB CCN(CC)c1ccc(C=NNC(=O)c2cc(C)nc3ccccc23)cc1 15985276 YMHPXUYAYHUXHX-UHFFFAOYSA-N 360.461 4.153 50 40 FIGB C=C(C)[C@H]1CC=C([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)CC1 20086129 QXBOYGHAOKCXKO-LIRRHRJNSA-N 373.456 4.011 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc(F)c1 59137225 RUEKCSKGDSCFLO-NDENLUEZSA-N 373.431 4.457 50 40 FIGB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2[C@@H](Br)N(O)c1ccccc1 245240993 WDPDSCLUQNSCNY-GZIXRCOHSA-N 352.272 4.245 50 40 FIGB N#CC1=C(SCCCc2ccccc2)NC(=O)C[C@H]1c1cccs1 409146593 UAXVUEZXEBYENM-OAHLLOKOSA-N 354.500 4.453 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(F)cc1 409195950 XCWQOIZFAYBIHK-ATVHPVEESA-N 351.425 4.199 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Cl 6672717 DWINFPNHTHLABI-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB O=C1OC(=O)[C@@H]2[C@@H]1CC=C[C@@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 169797521 VQSAROVLKPMLEQ-WOPDTQHZSA-N 364.241 4.084 50 40 FIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNC1CCCCC1 409379126 UNAIGAGWXUTVHE-BUVRLJJBSA-N 367.493 4.001 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3nc2C)cc1 4091514 JSAWLJCPXXMEJH-HZHRSRAPSA-N 360.461 4.153 50 40 FIGB CC(/C=C/c1ccccc1)=N\NC(=O)c1cccc(Cn2nc(C)cc2C)c1 6189236 KYPBPCKWMRRMKS-DUQWCVJISA-N 372.472 4.367 50 40 FIGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)cc1 57360005 DIQUKCFBKUCJKW-AQTBWJFISA-N 363.461 4.069 50 40 FIGB N#C/C(=C\Nc1ccccc1C(=O)c1ccccc1)C(=O)Nc1ccccc1 57413950 JDZSYLZTKABFFT-FBMGVBCBSA-N 367.408 4.376 50 40 FIGB Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1 408858881 QOMUBYNZGQTGAT-CIAFOILYSA-N 356.491 4.272 50 40 FIGB N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@H]1c1ccco1 409148301 YGCWKFMNFKEMGA-GFCCVEGCSA-N 374.849 4.084 50 40 FIGB N#CC(C#N)=C(Nc1ccccc1F)SCC(=O)Nc1cccc(F)c1 16450312 WZBVUWHODFPCQP-UHFFFAOYSA-N 370.384 4.007 50 40 FIGB CCOC(=O)Cn1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21 17075860 VACRYZCHNSVAFJ-PTNGSMBKSA-N 370.412 4.145 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(C)c1O 33797347 YUWVJFDCVPWOEM-ZSOIEALJSA-N 371.234 4.317 50 40 FIGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OC 408855921 OTPQCIXIQBIUSZ-NHDPSOOVSA-N 372.808 4.257 50 40 FIGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1 8812157 YDTBBZXWFHBDKX-SRZZPIQSSA-N 367.336 4.066 50 40 FIGB CC(C)(C)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3o2)cc1 32519976 MYXXASRZSOHRIZ-MTJSOVHGSA-N 367.474 4.368 50 40 FIGB OB(O)c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1 202834690 WPWPOMNBTQPHDV-UHFFFAOYSA-N 363.225 4.131 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccnc3)c2C)cc1Cl 409055569 ZQJOGKVWQMGSFL-FOKLQQMPSA-N 366.852 4.215 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)c1 408743952 CRPKMDSUTURSGT-VBKFSLOCSA-N 370.412 4.109 50 40 FIGB N#CC(C#N)=Cc1ccc(OCc2ccc(C#N)cc2)c(Br)c1 408919878 DSESZMWMOVPWTN-UHFFFAOYSA-N 364.202 4.330 50 40 FIGB CCc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)cc1 705959 IUCWMOPKDOOUHX-OAQYLSRUSA-N 374.440 4.074 50 40 FIGB C/C(=N/NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)CCC2 4652649 LPCABJDHGVBCQY-CRRPLPBISA-N 356.853 4.136 50 40 FIGB CCCC/C(=N\NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 5859457 GUDRTUBSBYHVRD-HIXSDJFHSA-N 363.461 4.359 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(F)cc1 59334762 GNXDUIHXSVUWDS-UYRXBGFRSA-N 364.420 4.128 50 40 FIGB Cc1ccc(CC(=O)N/N=C\c2ccc(C)c(Br)c2)c(C)c1 216046725 FCISMNBYXIHIKF-JAIQZWGSSA-N 359.267 4.067 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccnc1 409234525 LLHFVUQYGRCDNO-OJSPLJLUSA-N 370.456 4.274 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 8236220 ODRLIAUMXZVYEH-GDNBJRDFSA-N 365.389 4.272 50 40 FIGB C[C@H](Nc1c([N+](=O)[O-])c(=O)oc2ccccc12)[C@H](Cl)c1ccccc1 8691362 KZHVJVXQGZPYNM-NHYWBVRUSA-N 358.781 4.482 50 40 FIGB CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1 10475793 ONRIIHDMKHWYHX-OEAKJJBVSA-N 366.392 4.177 50 40 FIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C 408588794 JSCNBOYIQNPGRU-FSJBWODESA-N 366.852 4.215 50 40 FIGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 1010999 HSDFDMSYAUCFSY-CIAFOILYSA-N 359.341 4.258 50 40 FIGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Cl)cc1 1095727 WZKVRYKTUJIZAL-KOUDTOEKSA-N 351.837 4.444 50 40 FIGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F 23216091 ZXTNZLUMYDXZMW-XYOKQWHBSA-N 361.279 4.159 50 40 FIGB CCOc1ccccc1NC(=O)N/N=C/c1c(C)n(C)c2ccccc12 59250523 INZFTWLJNCCUDV-FYJGNVAPSA-N 350.422 4.041 50 40 FIGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408542718 NOWQILBYBNOOBB-FMNVXAMXSA-N 364.401 4.108 50 40 FIGB Cc1c(/C=N\NC(=O)c2cccc(Br)c2)c2ccccc2n1C 408817676 LZLUFJBTXCLTRK-JAIQZWGSSA-N 370.250 4.013 50 40 FIGB COc1ccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)cc1 409149850 SKYSVNKTXVGITB-OEAKJJBVSA-N 362.429 4.400 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)OCc2cccc(Br)c2)cc1 2887429 DHINQQFIICKZKE-OQLLNIDSSA-N 372.218 4.108 50 40 FIGB CCOP(=O)(OCC)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 6402391 PHPBBKCVZXNXRR-OAHLLOKOSA-N 366.329 4.131 50 40 FIGB O=C(N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])c1cccc2ccccc12 17428407 FDEBZRKOCGUJGS-RGVLZGJSSA-N 353.765 4.165 50 40 FIGB O=C(N/N=C\c1cccc(O)c1)c1cc(-c2ccccc2)nc2ccccc12 33319891 ZXAAJEPETUWGLI-IWIPYMOSSA-N 367.408 4.371 50 40 FIGB CN(C)CCCN1C(c2ccccc2)=CC(=C(C#N)C#N)[C@H]2CCCC[C@@H]21 96346825 WYAQOAGKCYOUFC-IRLDBZIGSA-N 360.505 4.197 50 40 FIGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)c1cc2ccccc2o1 108118975 HOGVKQSZRMMWHG-QRVIBDJDSA-N 365.408 4.244 50 40 FIGB O=C(c1cc(Cl)ccc1Cl)[C@H](Br)CBr 307719343 MUWFJLKQPXOKQL-SSDOTTSWSA-N 360.860 4.335 50 40 FIGB Nc1ccccc1C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409041720 VIPMQXLNOMDEBA-AFUMVMLFSA-N 368.440 4.036 50 40 FIGB N#CC(=CNc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 2049463220 AXMWSZFRFITMJN-UHFFFAOYSA-N 353.230 4.244 50 40 FIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 2770504 DFITZJUOKVGLJB-SRRANQMSSA-N 355.825 4.047 50 40 FIGB COc1cc2c(cc1/C=C(\C#N)c1ccc(Br)cc1)OCO2 4690671 PMIVTZOLXXCFPD-AWNIVKPZSA-N 358.191 4.251 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1Cl 20195470 LKVQWJATEBBAKL-LPYMAVHISA-N 358.869 4.438 50 40 FIGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1c(C)n(C)c2ccccc12 59250014 OWPYULAKIVKBOM-CXUHLZMHSA-N 365.440 4.495 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2ccccc2)CC1 79494460 GOOPDWKLMCFZDX-GOSISDBHSA-N 364.580 4.045 50 40 FIGB F[C@H](OC(F)(F)F)C(F)(F)Oc1ccc(CBr)cc1 98210765 FUBBBHGJMIJKGA-MRVPVSSYSA-N 353.056 4.385 50 40 FIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c1 408799149 YGMJBZXGBMVZFJ-MKMNVTDBSA-N 354.793 4.231 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 3067231 CXERIZQJWMYLNN-UDWIEESQSA-N 360.866 4.147 50 40 FIGB Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(C(C)C)cc2)c(C)c1 6189612 ZNTGDZDWDFUWGL-OEAKJJBVSA-N 365.477 4.296 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 409018752 UCXISPOQVJQMTQ-KAMYIIQDSA-N 363.804 4.382 50 40 FIGB O=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccc(Cl)cc1 409208256 BMVVUFAWOCJVPD-WSVATBPTSA-N 372.595 4.319 50 40 FIGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccs4)CC(=O)N3C2)cc1 4412409 AEYMVOFHFPTTBG-HNNXBMFYSA-N 367.499 4.276 50 40 FIGB Cc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 5070449 YSRSNIJGMOKPNF-DHZHZOJOSA-N 353.472 4.298 50 40 FIGB C/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1 5221768 VUUQIYFGJDULJM-HKOYGPOVSA-N 374.440 4.185 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1O 7158291 LKYJJCUBEYYRNZ-MBLSOGTRSA-N 362.857 4.046 50 40 FIGB C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1Cl 1055292 UMAANGYBZAHPJN-KOUDTOEKSA-N 352.821 4.411 50 40 FIGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccsc1 1102255 IEWWFZLOVADWMN-YAXRCOADSA-N 363.653 4.237 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC(C)C 2775594 KOQCUUJCKQHZLJ-ATVHPVEESA-N 350.418 4.418 50 40 FIGB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CCl 3269716 USUXGYMILPVEBX-UHFFFAOYSA-N 358.246 4.423 50 40 FIGB Cc1cc(NNC(=O)Nc2ccc(Cl)c(Cl)c2)nc(Cl)c1C#N 12446181 VUFLKNJEIZRMKR-UHFFFAOYSA-N 370.627 4.371 50 40 FIGB CC(C)(C)c1cc(/C=N\NC(=O)c2ccncc2)cc(C(C)(C)C)c1O 13736738 SVJQOTFIDQZDFN-QRVIBDJDSA-N 353.466 4.146 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 408888405 VEGYZQSBRPBAQO-HAVVHWLPSA-N 361.445 4.420 50 40 FIGB CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)c(C)cc2nc1Cl 883067 XRYWONZQXKFVCT-GOSISDBHSA-N 367.836 4.176 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 4678937 ZGGOIIYBBNBCHR-CXUHLZMHSA-N 371.820 4.398 50 40 FIGB COc1ccc(C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1OC 5612676 NLZVVSLCVRKAFG-HYARGMPZSA-N 354.450 4.155 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc(C#N)c1 9201685 ASUQVSYNKIDIID-MFKUBSTISA-N 369.424 4.210 50 40 FIGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(Cl)s1 17167495 HLLNTVNRWYKPKX-APSNUPSMSA-N 367.908 4.254 50 40 FIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 408968392 WGNSQXVXHCOGEG-NUGSKGIGSA-N 360.257 4.488 50 40 FIGB O=C(N/N=C/c1ccc2ccccc2c1O)c1ccc(Br)cc1 919220 DPUDPAGBWBCJAW-RGVLZGJSSA-N 369.218 4.072 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC 7157380 DQFMHHUEGNWKBJ-SFQUDFHCSA-N 350.418 4.338 50 40 FIGB O=C(N/N=C\c1ccc(Cl)s1)Nc1cccc(Br)c1 408964444 CKRPJQKSGFOMFD-CHHVJCJISA-N 358.648 4.320 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1cc2cc(Cl)ccc2o1 409016429 IQENOGBYHZFWOS-MTJSOVHGSA-N 371.824 4.433 50 40 FIGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(C(N)=O)cc1 409389935 CYFNQNOZAINCGS-ODLFYWEKSA-N 359.404 4.396 50 40 FIGB N#CC1=C(SCc2ccc(F)cc2)NC(=O)[C@H](C#N)C12CCCCC2 988728 RCMUTJGMTHZKIS-HNNXBMFYSA-N 355.438 4.014 50 40 FIGB CCc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 5071157 KKNQELSJCRHJNS-RVDMUPIBSA-N 361.470 4.490 50 40 FIGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(Br)c1 5892890 JIOAKYSLHBPASE-QWSZEGLUSA-N 357.251 4.093 50 40 FIGB N#CSc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)c(F)c1 12775692 ZUWINLZZXLFORP-UHFFFAOYSA-N 350.415 4.153 50 40 FIGB O=C(NNc1ccc(F)cc1)c1c(-n2cccc2)sc2c1CCCC2 60664820 QQOJLCULXLZQHJ-UHFFFAOYSA-N 355.438 4.314 50 40 FIGB COc1cc(Cl)c(/C=C(\C#N)Cn2cnc3ccccc32)cc1OC 408691855 UNHVDDZAOZKIIA-NTUHNPAUSA-N 353.809 4.314 50 40 FIGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)NC(C)C)c3ccccc32)c1 408773590 VLGKDKCVSJABKL-UNOMPAQXSA-N 357.457 4.430 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCC2)c(C)c1 4676000 GBOGERNSNBJYMM-NBVRZTHBSA-N 361.445 4.150 50 40 FIGB C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)o1 4904321 GYHFFXKOVBMKJE-ZRDIBKRKSA-N 358.191 4.345 50 40 FIGB Cc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1 6030072 ZSVZSABIPYRXCY-DOPJRALCSA-N 364.283 4.092 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195190 UBVVGEWMTAMNJR-HZHRSRAPSA-N 368.477 4.184 50 40 FIGB CC(C)c1ccc(-c2nc(C(=O)NNC(=O)c3cccs3)cs2)cc1 24839553 ZVYGOJAFBAAOFF-UHFFFAOYSA-N 371.487 4.070 50 40 FIGB Cc1ccc(NNC(=O)CCc2ccc(OC(F)F)cc2)cc1Cl 28994303 DFBHEHYAEOEJSM-UHFFFAOYSA-N 354.784 4.326 50 40 FIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/CCCc3ccccc32)c1 34107166 ZFVSFAGBFUVSTF-ATJXCDBQSA-N 350.462 4.354 50 40 FIGB Cc1nn2c(c1-c1ccc(Cl)cc1)NC(c1ccccc1)=C(C#N)[C@H]2N 226759123 DKNYYQIXPGNSCX-IBGZPJMESA-N 361.836 4.330 50 40 FIGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)NC1CCCC1 409189524 HKLRONDVBDGMJV-AQTBWJFISA-N 364.420 4.370 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(OCC)c1 656787 IMDRLZFTHLPGQD-CXDFQFJYSA-N 364.445 4.268 50 40 FIGB COc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)c1 4505978 DNGNFFSJCFXIIO-VAHWYXDJSA-N 372.468 4.480 50 40 FIGB Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)cn1 4679773 FGXSOKRJLDRMTA-JJFYIABZSA-N 353.809 4.376 50 40 FIGB CC(C)Oc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1 6538947 QKZSBBLUJUTKSG-YBFXNURJSA-N 361.239 4.000 50 40 FIGB CCOc1ccc(C(=O)N/N=C/c2c(OCC)ccc3ccccc23)cc1 8082044 XTNBYZABQVOYOW-HZHRSRAPSA-N 362.429 4.401 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(Cl)c1 15145910 QPYCEHPEBCGKRR-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB CC(C)(C)OC(=O)N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 33400802 OTQUGZXBPLJCKG-MTJSOVHGSA-N 374.824 4.418 50 40 FIGB CCc1c(C(=O)NNc2cccc(Cl)c2)cnn1-c1ccc(C)cc1 36820641 LAMBSZDXZZEKDY-UHFFFAOYSA-N 354.841 4.153 50 40 FIGB Cc1oc(-c2cccs2)nc1C(=O)Oc1ccc([N+](=O)[O-])cc1Cl 103279354 MIVGERVUPJPJHJ-UHFFFAOYSA-N 364.766 4.492 50 40 FIGB C=CCc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OCC)c1O 408818511 XCIWUJKVACVQKR-FXTHNMEQSA-N 368.477 4.121 50 40 FIGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1ccccc1Cl 408960492 MGJKAHFIKGDXLD-BKUYFWCQSA-N 356.857 4.404 50 40 FIGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccccc1 13145414 IXUOKBOLUSFYPW-FYJGNVAPSA-N 366.442 4.100 50 40 FIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1Br 58915759 GYCOVTJNQJXZQW-MBNTZHJCSA-N 363.280 4.080 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1 408720219 WBEVUEUXOFKKGN-YIRPMMGJSA-N 354.475 4.023 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)c1 408745690 OGZKXAOXXKUUKY-WJDWOHSUSA-N 366.417 4.038 50 40 FIGB CC(C)(C)OC(=O)NCCCCCCCCI 575436680 PCASIJXKVSNHTH-UHFFFAOYSA-N 355.260 4.287 50 40 FIGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(CC)cc1 1444719 VYQJITWLOKALPB-LJQANCHMSA-N 374.440 4.031 50 40 FIGB CCOC(=O)[C@@H](Br)[C@H](Br)c1ccccc1Cl 1600735 GXESVHOGRBTVJS-ZJUUUORDSA-N 370.468 4.103 50 40 FIGB COc1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(=O)[nH]c2c1 9134151 LLYSSTROJAUZFY-NTEUORMPSA-N 359.410 4.211 50 40 FIGB N#CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 408743452 AHZWUEDFCGAJFG-KAMYIIQDSA-N 360.804 4.364 50 40 FIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2cccc(F)c2)o1 409008991 QGBBZXHIAYCKAN-WSDLNYQXSA-N 352.365 4.167 50 40 FIGB Cc1n[nH]c2c1[C@H](c1c3ccccc3cc3ccccc13)C(C#N)=C(N)O2 708793 ZINXPARDVMTGBU-HXUWFJFHSA-N 352.397 4.243 50 40 FIGB CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 1319433 LQZDYBJTLVLHCH-SITPEIFSSA-N 354.450 4.128 50 40 FIGB CCOC(=O)[C@@H](Br)[C@@H](Br)c1cccc(Cl)c1 1602074 WNCYAUFQFCRXFD-UWVGGRQHSA-N 370.468 4.103 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C\c1cccn1-c1ccc(Br)cc1 59249620 BCJGNNYWPPUBLF-OWBHPGMISA-N 372.266 4.015 50 40 FIGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 903658 NVIGSMIQKGSOLB-DJKKODMXSA-N 353.274 4.377 50 40 FIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2Cl)sc(C)c1C 2886740 XIUWTPJMJMJCCF-MDWZMJQESA-N 374.849 4.351 50 40 FIGB O=C(CCl)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 39946634 XOPMOURJFBEDNH-HNNXBMFYSA-N 367.758 4.026 50 40 FIGB in-vitro Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c1 59534084 OFRSAUPNMKSFEH-DEDYPNTBSA-N 372.424 4.390 50 40 FIGB O=C(CCCC[C@H]1CCSS1)NCC1([C@H](O)c2ccccc2)CC1 89825951 CWKYTBKGAIPYJT-FUHWJXTLSA-N 365.564 4.331 50 40 FIGB Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] 408780081 RPDXZQJYGCWKBN-SXGWCWSVSA-N 365.389 4.236 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1cccc(C(F)(F)F)c1 408963086 MJZXXGKWDWHFSW-WSDLNYQXSA-N 365.355 4.053 50 40 FIGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(Cl)c1 1052415 CPXZLTXLBXTIFC-UFWORHAWSA-N 357.624 4.176 50 40 FIGB COc1ccc(/C(C)=N\NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 5369726 FIFQDBRODDLMPU-ULJHMMPZSA-N 374.440 4.428 50 40 FIGB CCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 20010545 BUDXRHGMTOHKNB-OAHLLOKOSA-N 374.868 4.355 50 40 FIGB CCSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 102679823 IBTZHEGUPOQGNY-KRWDZBQOSA-N 354.431 4.438 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1Cl 409009316 DCNZAASMEPXNLX-XMOVILSBSA-N 360.841 4.290 50 40 FIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(OC)c1 409018863 ZOINMMPFPVWIMG-HZHRSRAPSA-N 362.429 4.401 50 40 FIGB C[C@]12CC[C@H]3[C@@H](C[C@@H](Cl)[C@@]4(Cl)C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 4104646 BCXBBIBUUYCTPJ-JGRZZSDMSA-N 361.353 4.330 50 40 FIGB biogenic,in-vitro CC(C)c1ccc(OCC(=O)N/N=C\c2c(Cl)[nH]c3ccccc23)cc1 4860587 NWPJLDSQNSYKPD-JJFYIABZSA-N 369.852 4.474 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(C)C 4893939 KEUUADIKXIOMRW-BOPFTXTBSA-N 356.466 4.086 50 40 FIGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 5288066 NQALPPISAZKPRI-XQNSMLJCSA-N 373.412 4.267 50 40 FIGB CC(C)(C)c1ccc(NC(=O)COC(=O)/C(C#N)=C\c2ccccc2)cc1 6169628 RNCQLPPCLBEGAL-LGMDPLHJSA-N 362.429 4.073 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)c(Cl)c1 9190551 SSQVFKKVVARBIN-GIJQJNRQSA-N 351.631 4.175 50 40 FIGB C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(N2CCCCC2)c(F)c1 12362483 WPXOPGFDGVGPOU-OEAKJJBVSA-N 357.404 4.109 50 40 FIGB CCc1cccc2c(C(=O)/C(C#N)=C/c3c(C)nn(C)c3Cl)c[nH]c12 31644404 ADBGLNHIOUPGSU-MDWZMJQESA-N 352.825 4.216 50 40 FIGB Cc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 105063938 CYFHTIMDUQEHGA-GRSHGNNSSA-N 357.207 4.268 50 40 FIGB CC(C)Oc1ccccc1/C=N/NC(=O)c1cc2c(s1)CC[C@@H](C)C2 3458208 BWGMTABXWAQWJZ-STCDJXRXSA-N 356.491 4.424 50 40 FIGB CC[C@H](C)c1ccc(OCCOc2ccccc2/C=C(/C#N)C(N)=O)cc1 4678927 ZLBAGOLOZSQVLZ-UYPHOHSBSA-N 364.445 4.050 50 40 FIGB CCc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 13943690 ZERJVMGLDINYLT-LFVJCYFKSA-N 358.441 4.445 50 40 FIGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1ccccc1F 20533292 VEPDTBIWXZATEH-MRXNPFEDSA-N 371.481 4.173 50 40 FIGB O=C(COC1CCCCC1)NNc1c(Cl)cc(Cl)cc1Cl 58357060 IDDGLHBOWJKLJZ-UHFFFAOYSA-N 351.661 4.439 50 40 FIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1c(F)cccc1Cl 58915932 SOSPCYPMUHYUFA-QDBSGRMGSA-N 350.846 4.251 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c1C 59133353 FSYFUFFVOQLJPJ-MKMNVTDBSA-N 354.793 4.231 50 40 FIGB CCOc1cc(C)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1C(C)C 408965066 FYRMKLLCUXGIGN-WYMPLXKRSA-N 367.424 4.292 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccc(OC)cc2)cc1Cl 409017843 GDJWWRZSKXMLLW-CRRPLPBISA-N 374.868 4.219 50 40 FIGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409245704 XWZRHPNOIOEBDJ-QGNWGPJTSA-N 362.832 4.349 50 40 FIGB FC(F)(F)CNc1ccc(OC[C@H](Br)C(F)(F)F)cc1 1083811745 KUTLIXLSSMTFSD-VIFPVBQESA-N 366.099 4.365 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 1052564 IZBZFROTWOCRDZ-MFKUBSTISA-N 373.456 4.136 50 40 FIGB CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)[C@](C#N)(c3ccccc3)[C@@H](C#N)[C@H]2C1 4631319 YOIGSSDLAWGEHW-LUFCQUEKSA-N 356.473 4.336 50 40 FIGB C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(C)o1 5093128 YJNKNGPIOHSBNT-XEQXHXIFSA-N 355.221 4.203 50 40 FIGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)cc2c1 6504122 IWKCMLCTFWZCPN-FSJBWODESA-N 356.429 4.405 50 40 FIGB C=CCn1c(-c2ccccc2)cs/c1=N/NC(=O)Nc1ccccc1 16739889 HEBXWRADUDIHCM-ZBJSNUHESA-N 350.447 4.040 50 40 FIGB CO[C@H](C(=O)N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccccc1 20243985 NSVKNURGYVOCFR-UYSKRRQASA-N 360.413 4.317 50 40 FIGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2O)cc1 30822034 NBWADAFGKZDSQZ-PJICWNCHSA-N 360.841 4.088 50 40 FIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1c(F)cccc1Cl 58915934 SOSPCYPMUHYUFA-HMASQMOLSA-N 350.846 4.251 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCC(C)(C)CO3)cc1 225369507 BAHIAEUAKUGYMX-LICLKQGHSA-N 362.429 4.338 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(OC)c1 408567400 MNKUIPNJJOXRFI-HZHRSRAPSA-N 368.477 4.084 50 40 FIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 409162616 XRSIEWJFLOZJOP-WSDLNYQXSA-N 356.784 4.432 50 40 FIGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCc1ccccc1 1208183 BNJMWQYUDWVLPK-FOWTUZBSSA-N 373.368 4.078 50 40 FIGB N#Cc1ncc(/N=C/c2ccc(N(CCCl)CCCl)cc2)s1 1730851 QCLYSNBFASOOKB-VXLYETTFSA-N 353.278 4.049 50 40 FIGB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](NC(=O)CCl)CC[C@H]12 4028995 HJBLTJMKWABGPD-GACVUSGFSA-N 367.961 4.114 50 40 FIGB biogenic CO[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 59502264 OBEKMDULQQVROW-OLCUMFGGSA-N 374.440 4.103 50 40 FIGB Fc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 95565631 QWPLCHDPESWJRN-UHFFFAOYSA-N 357.388 4.445 50 40 FIGB CCCCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC 103592801 KHLFJRSGMZHBSY-WUXMJOGZSA-N 371.389 4.401 50 40 FIGB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1 225688263 WDURBFGPGMEFTN-KRWDZBQOSA-N 372.303 4.240 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1 408586427 BYUVDSXSWXBXJL-XQNSMLJCSA-N 350.462 4.242 50 40 FIGB O=C(N/N=C\c1ccc(Br)cc1)c1ccccc1C(F)(F)F 408786705 MPMRKVLDFXNFGX-UKWGHVSLSA-N 371.156 4.232 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2Br)cc1 942027 HMFZOZDZOUXPPA-GXDHUFHOSA-N 371.234 4.312 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NC1CCCCC1 2354756 RKEQPQKSMMGKEN-FOWTUZBSSA-N 364.401 4.001 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1C 2369594 GXRVCERBMZRCMI-FSJBWODESA-N 366.392 4.232 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 2784786 JZOPVHBNZZNUBK-NTUHNPAUSA-N 371.780 4.111 50 40 FIGB CCCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccccc3)[nH]n2)cc1 9071276 SHLOYQWQTYEWGA-JCMHNJIXSA-N 362.433 4.020 50 40 FIGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)cc1 15009324 VJZDLSLDVPZGJK-RVDMUPIBSA-N 354.431 4.097 50 40 FIGB C[C@@H](CN(C)C)C(/C=C\c1ccc(Cl)cc1)=N\NC(=O)c1ccccc1 17175038 JMEFRHGBOYORMK-YOLCWJIBSA-N 369.896 4.337 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c1 20786994 OWTSJKPXOZNHFN-UKTHLTGXSA-N 357.207 4.003 50 40 FIGB N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)c1ccc2c(c1)OCO2 57996473 NCCOKANGRTWQAK-QPEQYQDCSA-N 361.275 4.104 50 40 FIGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 59447432 ZULNFQMYXSGILQ-DNTJNYDQSA-N 371.702 4.031 50 40 FIGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 169885803 VRVQWSQQNVAGAC-JCMHNJIXSA-N 354.450 4.337 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC)c1 408746694 VOMOMUGHSTUSTN-ZROIWOOFSA-N 356.809 4.293 50 40 FIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 408963741 OWFXNZLZUIUGAJ-DNTJNYDQSA-N 371.702 4.031 50 40 FIGB N#C/C(=C1\NNC(=N)C(c2ccc(Cl)cc2)=C1O)c1ccc(Cl)cc1 1616407 BUMMMFOUCGXOSF-JQIJEIRASA-N 371.227 4.282 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C)c1C 1940002 XHRRJEAHVOJVNF-XNTDXEJSSA-N 354.431 4.087 50 40 FIGB O=C(N/N=C/c1cccc2ccccc12)c1cc(Br)ccc1O 5175726 AYYNFBPYYQFRGS-RGVLZGJSSA-N 369.218 4.072 50 40 FIGB O=C(N/N=C/c1c(F)cccc1Cl)c1cccc(Br)c1 5671001 NEBSPADGHAOOSJ-QGMBQPNBSA-N 355.594 4.006 50 40 FIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccccc1 7008988 YJIQCHUARUSRBZ-BUVRLJJBSA-N 361.445 4.191 50 40 FIGB CCOc1ccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc1OC 13002574 MYXRGLWZEFMASW-QPJJXVBHSA-N 360.837 4.477 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1 48272725 MDXYYNOJBUBOJY-IUXPMGMMSA-N 350.418 4.175 50 40 FIGB CC/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1O 58158264 WOFBYFRKAZARIJ-RELWKKBWSA-N 354.450 4.133 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC(C)C)cc1 171814353 QENWJJKJZVSJNI-LFIBNONCSA-N 366.417 4.037 50 40 FIGB O=C(c1ccccc1)[C@@H]1[C@@H]2[C@@H]3C[C@@H](Cl)[C@H](C3)[C@H]2ON1c1ccccc1 252383301 DYGLKPUISJDAQN-MZPGVEPJSA-N 353.849 4.322 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)o1 408591430 SZXWKRWFBUBTNO-WSDLNYQXSA-N 374.400 4.106 50 40 FIGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccnc3)c2C)c1 408766760 GDVQAHQHSSBLNI-UNOMPAQXSA-N 356.429 4.343 50 40 FIGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)o2)cc1 2257479 GKHCGRUUIMOPJX-SFQUDFHCSA-N 372.380 4.499 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)c1nc2ccccc2[nH]1 4066933 AZTYNVOELCSUBB-UKTHLTGXSA-N 371.352 4.291 50 40 FIGB CC[C@@H](C)c1ccc(OCCCOc2cccc(/C=N/NC(N)=O)c2)cc1 4602745 GETNJHXUOXBVBO-LGVXEURYSA-N 369.465 4.050 50 40 FIGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)cc1 8812247 HQEHQJXMTFZFPN-YDZHTSKRSA-N 365.408 4.006 50 40 FIGB C/C(=N/NC(=O)Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 33752887 KLGYTJOBYBAUNZ-MOHJPFBDSA-N 358.441 4.349 50 40 FIGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1 98067980 ANNUDXHQFUWMQQ-LGMDPLHJSA-N 372.380 4.279 50 40 FIGB CCOC(=O)/C(C#N)=C(/CC1=CC(=C(C#N)C#N)CC(C)(C)C1)SC 103542741 WJDPKBLYSNISSP-MSUUIHNZSA-N 355.463 4.170 50 40 FIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 408816273 YEZBAPQDXHLTJC-NTEUORMPSA-N 371.234 4.312 50 40 FIGB O=C(Cc1ccccc1)N/N=C(\c1ccc(O)cc1)c1ccc(Cl)cc1 4690797 BHAHXRUKYDQUMW-FLFQWRMESA-N 364.832 4.157 50 40 FIGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 5095245 LTMLHCUUJGTANH-GOSISDBHSA-N 372.428 4.002 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 5621061 RYMYVKGSSXXQTF-WGOQTCKBSA-N 366.424 4.451 50 40 FIGB O=C(N/N=C/c1ccc(Br)s1)c1cccc2ccccc12 5704983 ATYRTORVJVJTKM-VCHYOVAHSA-N 359.248 4.428 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 408719594 GXUBJTMVFKHTOJ-GXPOEHQZSA-N 356.491 4.496 50 40 FIGB OB(O)c1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1 725325604 BORLELIEOILAEA-UHFFFAOYSA-N 363.225 4.131 50 40 FIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1O 832777 MQICLPCZJCMNPB-HXUWFJFHSA-N 358.397 4.162 50 40 FIGB O=C(NNc1ccccc1)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 1384778 YBKDQWSMDDBXAW-UHFFFAOYSA-N 374.227 4.309 50 40 FIGB CC1(C)C/C(=N\NC(=O)c2ccccc2Br)c2ccoc2C1 1454789 AYSILZYXNXMIDI-XMHGGMMESA-N 361.239 4.149 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccco1 1464285 ZGYZGLQAZMSNGQ-CPNJWEJPSA-N 358.397 4.082 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc2ccccc2c1O 4724598 FRPWBKNREGLKKB-LPYMAVHISA-N 352.821 4.282 50 40 FIGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cccnc1 8078730 KADOCMYYNUACQS-FSJBWODESA-N 365.820 4.078 50 40 FIGB Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c(C)c1 10735572 QYZBGEOLOWMLOU-UHFFFAOYSA-N 368.433 4.246 50 40 FIGB CCc1ccccc1N1C(S)=C(C#N)C(=O)N[C@@H]1c1ccccc1Cl 19810126 VRSPOLGHTAPFHJ-KRWDZBQOSA-N 369.877 4.202 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408530534 MCAIJZZYHJOBIW-AFUMVMLFSA-N 374.488 4.273 50 40 FIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1F 2305942 CXGKBOXICHGIML-SRZZPIQSSA-N 369.223 4.442 50 40 FIGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)c(C)c1 13955438 FEZOGNGYOMCICA-FMCGGJTJSA-N 366.392 4.232 50 40 FIGB N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)c1nnc2n1CCCCC2 14185791 OZEJDUYDNZCUQG-GXDHUFHOSA-N 365.437 4.331 50 40 FIGB Cc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(N(C)C)cc1 33709106 SHHIZKWLDNMLDQ-JCMHNJIXSA-N 361.449 4.007 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1Cl 408587634 GNUWJVZMSFELFS-SRZZPIQSSA-N 368.776 4.062 50 40 FIGB CCCCCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1OC 2099983 BSVMPAZHDGHTHV-HAVVHWLPSA-N 368.477 4.347 50 40 FIGB N#CCC(=O)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 2303671 LMPUBIQNBMZJGK-AFUMVMLFSA-N 366.424 4.207 50 40 FIGB COC(=O)N/N=C/c1cn(C[C@@H](C)COc2ccccc2)c2ccccc12 2365421 DPHDPRRPFQCDMK-LTNVFZTJSA-N 365.433 4.046 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1 3664420 KENSQRMRUURHQZ-UDWIEESQSA-N 360.866 4.147 50 40 FIGB CCOC(=O)c1sc(NC(=O)c2ccccc2C)c(SC#N)c1C 7345638 GTXIJIOULXUJLI-UHFFFAOYSA-N 360.460 4.367 50 40 FIGB CC[C@H](Br)C(=O)Nc1nc2ccc(OC(C)C)cc2s1 20132400 SHJODRMFXHQVED-JTQLQIEISA-N 357.273 4.196 50 40 FIGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(N(C)C)cc2s1 20133089 LIOSXIUARSZRCW-LLVKDONJSA-N 370.316 4.255 50 40 FIGB N#CC1=CN(c2ccc(Cl)c(Cl)c2)c2ccccc2S1(=O)=O 38487986 ONTMXJDIFLMTAZ-UHFFFAOYSA-N 351.214 4.284 50 40 FIGB N#CC(C#N)=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 40967458 PNAJVEKZGYNADG-UHFFFAOYSA-N 353.175 4.099 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 207090017 NURJJUSJDUVBOV-SFQUDFHCSA-N 350.418 4.338 50 40 FIGB O=C(CCl)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 3410605 LFIWSYWRECXBMR-UHFFFAOYSA-N 351.837 4.205 50 40 FIGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(N)=O)cc3)n2)cc1 5007576 QIYFDDYOXYENRC-LFIBNONCSA-N 360.442 4.194 50 40 FIGB CCCCc1ccc(NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1 5274169 PQOOQFAJMBYWBT-UHFFFAOYSA-N 361.898 4.314 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 6501862 QQPAMLWZUHKIPN-CIAFOILYSA-N 363.373 4.236 50 40 FIGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCc2ncc(-c3ccccc3)o2)cc1 7695511 TZVUURGUYYEZRR-LDADJPATSA-N 373.412 4.058 50 40 FIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 20248414 SBBBWARXNDOZPO-XPAGJJBOSA-N 369.273 4.330 50 40 FIGB CC(/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)=C\c1ccccc1 108798043 SMUGJSKKNONCTO-NOCIYUNBSA-N 370.452 4.128 50 40 FIGB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@]2(C)CCC[C@@H]12 118924356 XGMAZWOOBBLYBZ-VAVDOFGMSA-N 369.343 4.333 50 40 FIGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1Cl 1055306 FFCRHRMZHHRAQJ-KOUDTOEKSA-N 352.821 4.411 50 40 FIGB O=C(CCCl)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 4267514 PCLPPGMDVPBRSR-UHFFFAOYSA-N 360.772 4.392 50 40 FIGB COC(=O)N[C@@H]1CCCCCCCCCC[C@@H]1I 5049163 CMXNJHQREIHSJR-QWHCGFSZSA-N 367.271 4.429 50 40 FIGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2O)cc1 30822035 NBWADAFGKZDSQZ-GMDDEGIZSA-N 360.841 4.088 50 40 FIGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1Cl 60694072 YLCDKWWEFMYCAG-WYMLVPIESA-N 355.825 4.469 50 40 FIGB O=C(CCCC[C@H]1CCSS1)N1CCO[C@H](c2ccccc2)C1 79494811 RETDYCDJYRLHEC-IRXDYDNUSA-N 351.537 4.301 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408804085 CPMRFKDMWADUSL-LDADJPATSA-N 362.429 4.423 50 40 FIGB COc1ccc(/C(Cl)=C(\C=O)c2ccc(OC)c(OC)c2)cc1OC 1613545 WFAINMQUZRDRQU-RGEXLXHISA-N 362.809 4.027 50 40 FIGB Cc1ccc(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 8515539 FTOVQKVFPDXDMQ-UFFVCSGVSA-N 352.381 4.256 50 40 FIGB CC(/C=N/NC(=O)CSc1nc2ccccc2o1)=C\c1ccccc1 19861236 MEBAVXZGLIXRAS-SVRYVPOOSA-N 351.431 4.125 50 40 FIGB COc1ccc([C@@H]2C(C#N)=C(SC)NC3=C2C(=O)CC(C)(C)C3)cc1 1471963 NIHFUXAUBHQZRT-QGZVFWFLSA-N 354.475 4.123 50 40 FIGB CN(C(=O)CCCCl)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 1705729 YPEUTZDAZNSDKI-UHFFFAOYSA-N 362.813 4.156 50 40 FIGB CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)C3CC3)cc2)cc1 5020823 LKXDJSVRKQAUKL-PXLXIMEGSA-N 352.434 4.180 50 40 FIGB O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(Br)o1 14069214 FRFVLHBLGGTNMV-UHFFFAOYSA-N 366.602 4.001 50 40 FIGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2cc(C)cc(C)c32)cc1 104765993 HXSJVDTYBOZMCW-IBGZPJMESA-N 372.424 4.190 50 40 FIGB O=C(N/N=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccccn1 199418320 CQMMDRIMXJDACU-XIEYBQDHSA-N 369.346 4.283 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1F)c1ccccc1 409245812 ZHYCMGOGPHTJGI-UEIJICEPSA-N 363.436 4.210 50 40 FIGB C=C(C)c1cccc(C(C)(C)NC(=O)NNc2ccccc2[N+](=O)[O-])c1 4927725 XPQRMZLQZQTTQG-UHFFFAOYSA-N 354.410 4.189 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1 6947237 FBDBNMAMSMVUPP-NTUHNPAUSA-N 370.792 4.013 50 40 FIGB O=C1CCC/C(=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)C1 103458041 BPHCJUMPOZQXAH-XKZIYDEJSA-N 363.442 4.192 50 40 FIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1 408803503 PULDUFHFHPLNCG-XNTDXEJSSA-N 354.793 4.119 50 40 FIGB CN(C)C(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 1106468 FCRDCPIIQFZQBV-LFIBNONCSA-N 363.848 4.338 50 40 FIGB Cc1ccc(/C=C/C=N/NC(=O)COc2ccc(Cl)cc2Cl)o1 3148225 OTTSSJBJVHCPAQ-FIFVVGQHSA-N 353.205 4.089 50 40 FIGB CNc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1[N+](=O)[O-] 40139957 TXECFZHQKACDFH-SDQBBNPISA-N 364.336 4.047 50 40 FIGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCc1ccco1 408735048 MWYMQZHBFRSBBH-GHRIWEEISA-N 360.413 4.445 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409149073 WTROQHUMFMEZGL-YIRPMMGJSA-N 354.475 4.191 50 40 FIGB O=C(CCc1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1 3196805 GFZUOGTVELRMAP-JJIBRWJFSA-N 358.441 4.349 50 40 FIGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1cccs1 4412435 FAZJIJWBYSJBCE-CQSZACIVSA-N 371.462 4.107 50 40 FIGB C/C(=N\NC(=O)c1ccccc1)c1cc2c(ccc3ccccc32)oc1=O 4471479 FIFPQLSXUCUTLN-OEAKJJBVSA-N 356.381 4.100 50 40 FIGB COc1cc(C(=O)N/N=C/C=C(\C)CCC=C(C)C)cc(OC)c1OC 5831015 OXSZYDPYIKMMPU-AOTDNBOZSA-N 360.454 4.121 50 40 FIGB C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)C2CCCCC2)c1 17075438 NODJCQNDWJKGAV-UCQKPKSFSA-N 367.449 4.261 50 40 FIGB Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1 40139605 IJIRLCLIXHAGMW-FOWTUZBSSA-N 358.401 4.365 50 40 FIGB COc1ccc2cc(/C=C(\C#N)C(=O)c3ccc4c(c3)OCO4)ccc2c1 44028807 ZSSIKTWQHNDEIF-GIJQJNRQSA-N 357.365 4.367 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)c1 408859971 WJRMBVBVNPQHBO-VKAVYKQESA-N 357.413 4.422 50 40 FIGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Cl)c1 1055256 CEMKOQGFTCHSAJ-KOUDTOEKSA-N 352.821 4.411 50 40 FIGB O=C(N/N=C/c1ccccc1O)c1ccc(CSc2ccccc2)cc1 59473360 PWHTUYPIPWOCGW-HYARGMPZSA-N 362.454 4.448 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408817530 LUMJDTOCHKOUHR-ZMOGYAJESA-N 374.444 4.420 50 40 FIGB CCOc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1 8996136 RKTHECRIKHSDJV-SFHVURJKSA-N 364.470 4.357 50 40 FIGB N#CC(C#N)=CNc1cc2c(cc1Br)-c1ccccc1C2=O 12139504 BZLBXUWQPPDCAJ-UHFFFAOYSA-N 350.175 4.003 50 40 FIGB COc1ccc(/C(Cl)=C(/C#N)c2ccc(OC)c(OC)c2)cc1OC 31870818 FGVDBFYGSBZBFI-XMHGGMMESA-N 359.809 4.352 50 40 FIGB COc1cccc(C(=O)N/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)c1 208201874 YEOMFBWTVZQWAA-FVQJWRHTSA-N 365.477 4.181 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC 408800276 LLXAXMFSPRLUPG-NTEUORMPSA-N 356.809 4.211 50 40 FIGB COc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(Cl)cc1 408852032 QCSQFXWZUGGDHR-BKUYFWCQSA-N 368.824 4.295 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1 409122405 YBOSZQQNCVICFS-RCCKNPSSSA-N 356.491 4.416 50 40 FIGB CC(C)OC(=O)c1c(NC(=O)CCCCl)sc2c1CC[C@@H](C)C2 2259801 KAXXNQCMLHUUOJ-LLVKDONJSA-N 357.903 4.396 50 40 FIGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)O 408581329 WECOEHXMPUORTI-OQLLNIDSSA-N 357.793 4.266 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(OCC)c1 4551128 UKZYNHUHXIQQOX-GZTJUZNOSA-N 369.392 4.273 50 40 FIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1c(Cl)cccc1Cl 6209909 HOJXEDPZQGGVNQ-DHZHZOJOSA-N 362.172 4.447 50 40 FIGB CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 6401458 MPCQJFDRKOOHFJ-LGMDPLHJSA-N 373.412 4.018 50 40 FIGB COc1ccc(C(=O)c2c(NC(=O)CCl)sc3c2CCCC3)cc1 13999038 WISXWTOZIXITFK-UHFFFAOYSA-N 363.866 4.044 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 3174553 IXSCANUUPHOGKB-QQHUYRGFSA-N 374.868 4.437 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCCCC1 4086369 SUWSMWXHBUSPSS-DTQAZKPQSA-N 365.389 4.164 50 40 FIGB Cc1cc(/C=N\NC(=O)CC#N)c(C)n1-c1ccc(-c2ccccc2)cc1 5739730 OCFXRXZZNGXNGI-IWIPYMOSSA-N 356.429 4.125 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OC 13140894 VYAKSSOMJPNQHT-CXUHLZMHSA-N 366.417 4.031 50 40 FIGB CC(C)c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 33301416 OBMZDOIAYAILJX-UQQQWYQISA-N 372.468 4.196 50 40 FIGB C[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N)OCCO3 118913448 OOLWTOWNVAYEQM-OGNRNXDYSA-N 359.510 4.027 50 40 FIGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cc4ccccc4o3)c2c1 2246581 YFVORKPNXGHQGH-YDZHTSKRSA-N 374.396 4.367 50 40 FIGB O=C(CCCC1CCCCC1)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6049192 HQSRPEJVDQFQCY-UHFFFAOYSA-N 360.542 4.491 50 40 FIGB CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 3310192 DAOCXHPTTWDMTK-DTQAZKPQSA-N 364.836 4.236 50 40 FIGB N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1cc(Cl)ccc1Cl 3339244 RQXTZZYJJRWMCT-VMPITWQZSA-N 352.133 4.040 50 40 FIGB CC(/C=C/c1ccco1)=N\NC(=O)COc1ccc(Cl)cc1Cl 4662634 AQUVBAOOWSHADA-OQXNFBFFSA-N 353.205 4.171 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 7156745 JXOYQMWPPPMPPQ-LDADJPATSA-N 362.429 4.423 50 40 FIGB CCn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21 7385517 OIRGBUQZDHFZLX-HZHRSRAPSA-N 360.461 4.025 50 40 FIGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(F)cc3)c2)cc1 8812213 HGJLXGYYZKUGBV-ZVHZXABRSA-N 362.404 4.477 50 40 FIGB COc1cc2c3c(c1)-c1c(ccc(OC)c1OC)C[C@@H]3N(CCCl)CC2 31949731 FFIBFFFBEZJXSW-KRWDZBQOSA-N 373.880 4.074 50 40 FIGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(F)c3)cc21 208201199 GXNAVPFAHFDVJV-WQEJZQBCSA-N 353.441 4.312 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(Cl)cc1 409217426 UTBYBNIKBLWADB-NHDPSOOVSA-N 368.776 4.062 50 40 FIGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)N1CCCC1 409368101 NICMRFKEJIWWPS-QGOAFFKASA-N 366.848 4.448 50 40 FIGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccn1 5583458 PPLNSWYMTJVTMB-YDZHTSKRSA-N 365.820 4.078 50 40 FIGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C1/C[C@@H]2C=CC[C@H]12 6328474 ZRBLUIHJUAHIPS-VNKZNTLGSA-N 359.640 4.094 50 40 FIGB O=C(N/N=C\c1ccccn1)c1sc2cc(Cl)ccc2c1Cl 33318124 CXSVULLRPAUOHI-UWVJOHFNSA-N 350.230 4.367 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3O)c2C)c1C 409063494 LUNYKJFYGARGKB-QRVIBDJDSA-N 361.445 4.180 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC(C)C)cc3)cc2c1 409187160 MWIYURHLQJVTSE-XKZIYDEJSA-N 366.417 4.383 50 40 FIGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CC1 6684287 IUHCRUWSKCJCND-YDZHTSKRSA-N 370.412 4.146 50 40 FIGB O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9014895 OHRLBGSGSOMTHV-KEBDBYFISA-N 359.216 4.147 50 40 FIGB COc1ccc(OC)c(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c1 15894621 OZXDHYDJXNTCHB-HAHDFKILSA-N 360.413 4.135 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2Br)o1 252507569 WOTIMEPCUMCKJR-YFHOEESVSA-N 364.170 4.318 50 40 FIGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408819576 ZKOFJZSCVICYLU-FOWTUZBSSA-N 366.417 4.038 50 40 FIGB N#CSc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 2651859 PLLLEQVHOXBNGG-UHFFFAOYSA-N 359.259 4.367 50 40 FIGB Cc1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc2n1 3056400 JVLOKJWUZOTMRY-YDZHTSKRSA-N 355.397 4.166 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc(C)c1C 4159238 RGJGOQCPGHARHX-XYOKQWHBSA-N 360.460 4.149 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 7210413 YUEFGUCXSNSUGV-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1 36224014 RLONAIPJTLJIOK-IWIPYMOSSA-N 362.404 4.098 50 40 FIGB CCN1c2ccc(/C=N\NC(=O)c3ccccc3O)cc2C(C)=CC1(C)C 208504878 BBPYTJSTXHXRMM-UCQKPKSFSA-N 363.461 4.178 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1)C12[C@@H]3CCC[C@@H]1C32c1ccccc1 214516211 LDHMEUUJFYTLES-ROBJYPQYSA-N 350.849 4.158 50 40 FIGB CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 98210381 MAKQLIRXNUQITR-SCSAIBSYSA-N 352.031 4.423 50 40 FIGB FC(F)(F)c1cccc2c1[C@H]1O[C@H]2[C@H](Br)[C@@H]1Br 100645207 XEKDFSULVJVFFF-UTINFBMNSA-N 371.978 4.358 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 903654 LFXSVGKKXXRWRE-RGVLZGJSSA-N 362.882 4.370 50 40 FIGB Cc1cc(Br)c(NC(=O)[C@@H](C)Cl)c(Br)c1 3316880 ZYCIIIHJICAGCG-ZCFIWIBFSA-N 355.457 4.086 50 40 FIGB CCCCOC(=O)c1ccc(N/C=C(/C=O)c2nc3ccccc3o2)cc1 5261202 NYUASZQMPMQUSG-SSZFMOIBSA-N 364.401 4.437 50 40 FIGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c1 5744866 URLQVUFJQKDRQO-RIYZIHGNSA-N 371.234 4.317 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OC(C)C)cc1 6049757 RTLSDWMTXIPKAO-OEAKJJBVSA-N 362.429 4.400 50 40 FIGB CCOc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3n1C)O[C@H](C)C2 21322873 NLKSTJNBAUCFPQ-NGWPFTMJSA-N 359.429 4.360 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccccc1F 28217414 JAXLMQWBUKLUBS-FSJBWODESA-N 353.372 4.136 50 40 FIGB COc1ccc([C@@H]2C(C#N)=C3SCCN3C3=C2C(=O)CC(C)(C)C3)cc1 95117468 CVFNBQZJUZAZPK-GOSISDBHSA-N 366.486 4.220 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2cccc3cccnc23)o1 408988182 CZZHMDLQRCYKNP-SDNWHVSQSA-N 350.399 4.449 50 40 FIGB COC(=O)N/N=C/c1cn(CCOc2cc(C)cc(C)c2)c2ccccc12 2303413 CKEKUIZCUUWAGC-LPYMAVHISA-N 365.433 4.027 50 40 FIGB C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(C)o1 5093132 YJNKNGPIOHSBNT-ORPVNXHJSA-N 355.221 4.203 50 40 FIGB Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)cc1 5728604 RQVBYUSNNBIDDO-LZNAANCOSA-N 374.419 4.309 50 40 FIGB Cc1cc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)on1 84124273 BWXDNMQWQVLWGD-WOJGMQOQSA-N 366.465 4.130 50 40 FIGB O=C(N/N=C1\CCSc2c(F)cccc21)c1ccc2ccccc2n1 84595083 PAANJDBZJRXJQJ-CJLVFECKSA-N 351.406 4.004 50 40 FIGB CC(C)(C)OC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4614367 KMYYSNOWKNKPFC-GIJQJNRQSA-N 365.773 4.367 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1 36145006 YECVWTKAZUYBLJ-WSDLNYQXSA-N 367.836 4.217 50 40 FIGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(N)=O)c1 408891750 USNMLCREIVZPFY-XDHOZWIPSA-N 356.425 4.428 50 40 FIGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccco1 1464286 ZGYZGLQAZMSNGQ-UYRXBGFRSA-N 358.397 4.082 50 40 FIGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCl 1935367 MKURTGDEXNMTRY-UHFFFAOYSA-N 358.246 4.423 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 4211351 CPPPUMKRROWAIW-XNTDXEJSSA-N 368.820 4.459 50 40 FIGB N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 5635511 GVYMXGYOMPREAR-WYMLVPIESA-N 355.357 4.326 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(OC)c1 7159785 MDXYYNOJBUBOJY-CAOOACKPSA-N 350.418 4.175 50 40 FIGB Cc1cc2nc(/C(C#N)=C\c3ccc(O[C@H](C)C(=O)O)cc3)[nH]c2cc1C 59302105 KSBTXZBCOPTNQK-KWZJRMENSA-N 361.401 4.096 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc12 408966241 KVKZCOOYLARSAC-ZMOGYAJESA-N 361.376 4.013 50 40 FIGB O=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccc(Cl)c1 409209630 HITGNOFLAKXDDN-WSVATBPTSA-N 372.595 4.319 50 40 FIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1 16440496 LEMNTHABAPBFGF-KPKJPENVSA-N 361.184 4.237 50 40 FIGB N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1 714172 AEQYXIFYQSNERK-HXUWFJFHSA-N 359.404 4.130 50 40 FIGB O=C(N/N=C/c1ccc(N2CCCCC2)c(F)c1)c1ccc(Cl)cc1 6970433 XKYRZDWFPMKSJO-LPYMAVHISA-N 359.832 4.233 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C 208209116 JGTUKKLENSTOON-FVQJWRHTSA-N 365.477 4.181 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccnc3)c2C)c1 408791226 XKLPNDXNVUTKOP-WQRHYEAKSA-N 372.428 4.043 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1 408826359 GHYLYFSKSOJQFI-CIAFOILYSA-N 374.893 4.288 50 40 FIGB CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 409106952 PGDQVNGJNMWLFJ-GDNBJRDFSA-N 372.266 4.433 50 40 FIGB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C(C#N)=C\c1ccccc1 585145851 YLRGHOAYHJLWTF-PGROWBKISA-N 369.461 4.141 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)cc1Cl 725365 NVAOMIWBNKQHMZ-VVJWVBNBSA-N 368.820 4.092 50 40 FIGB CC1=C(C(=O)OC(F)(F)F)[C@H](c2cccc(Cl)c2)C(C#N)=C(S)N1 1270449 DNZOSINAGFSGAH-GFCCVEGCSA-N 374.771 4.029 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)cc1 1452675 YADXGEOJYLPFAJ-OBGWFSINSA-N 363.461 4.477 50 40 FIGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 3317066 CFOJCZNIPUCDMP-NBVRZTHBSA-N 352.434 4.462 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccccc1 4980683 YTNSLEGQXHPHBG-KQWNVCNZSA-N 360.461 4.429 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccccc2Br)cc1 31783756 FHIHCIMZVNDEAP-GDNBJRDFSA-N 362.248 4.096 50 40 FIGB O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1ccccc1F 33579544 JKTVOSBIHCJIHF-IWIPYMOSSA-N 359.404 4.474 50 40 FIGB COc1cc(C)ccc1C(=O)N/N=C/c1cccn1-c1ccc(Cl)cc1 59250362 ZLBGDTVCWRRDFC-LPYMAVHISA-N 367.836 4.212 50 40 FIGB O=C(N/N=C/c1ccc(F)s1)c1ccc(COc2ccc(F)cc2)cc1 252497424 QHDSMWAWPWLLJB-SSDVNMTOSA-N 372.396 4.369 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Cl 408583227 SPSDZBIZPWIWOK-MHWRWJLKSA-N 353.805 4.433 50 40 FIGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 409115758 HAOBZNXFMGFMKU-KGENOOAVSA-N 356.491 4.415 50 40 FIGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1Cl 1095759 OZORXABBJAGYMW-CYGNYLSHSA-N 351.837 4.444 50 40 FIGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc(Cl)cc1Cl 4933074 QUUALWAECGNNIR-UFFVCSGVSA-N 354.212 4.085 50 40 FIGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c(OC)c1 5744124 PNUFHYLSDNMWMV-KEBDBYFISA-N 374.849 4.336 50 40 FIGB N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 6970353 UPCCGVVFLGKYNR-PTNGSMBKSA-N 360.329 4.358 50 40 FIGB N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(-c2ccccc2Cl)o1 8846139 SGWCKSJAXUEQEO-IBGZPJMESA-N 363.804 4.400 50 40 FIGB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)C[C@H](Cl)c1ccccc1 16954611 KKOYATSGADPKSY-LBPRGKRZSA-N 360.218 4.002 50 40 FIGB O=C(NNc1ccccc1C(F)(F)F)c1cc(-c2ccccc2F)on1 30040342 AAZALVWHHZPDAB-UHFFFAOYSA-N 365.286 4.256 50 40 FIGB Cc1ccc(CSCC(=O)N/N=C/c2c(F)cccc2Cl)cc1 58915567 QVJBHJOWASXCOP-AWQFTUOYSA-N 350.846 4.171 50 40 FIGB C[C@]12CC[C@@](O)(C#N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 118915101 LLOYXBYLIJXIJG-TVWVXWENSA-N 359.510 4.027 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 408737103 IWZINYNRPBYORF-LFVJCYFKSA-N 358.441 4.267 50 40 FIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 408950508 FUWMREQBYZZKDZ-VKAVYKQESA-N 357.413 4.340 50 40 FIGB CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 5130225 RZBTUOZVDZLYIY-GOSISDBHSA-N 372.428 4.082 50 40 FIGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)C1CCCCC1 5288094 IFZVWBLEQHMKFS-SRZZPIQSSA-N 370.280 4.394 50 40 FIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1CC=C 59335670 OXMPROFBNJSKPB-HKWRFOASSA-N 356.425 4.281 50 40 FIGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 4893157 PNPORLBTJKFMPN-LFVJCYFKSA-N 358.441 4.267 50 40 FIGB CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C1/CCCC[C@@H]1C 28632568 NEPRCGZIZAZBAP-IALMLCHTSA-N 366.303 4.322 50 40 FIGB CSc1cccc(N2C=C(C#N)S(=O)(=O)c3ccc(Cl)cc32)c1 48987437 MPJXQVNNLQSBHX-UHFFFAOYSA-N 362.863 4.352 50 40 FIGB O=C(N/N=C\C=C\c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 86012843 CQKVIVCEZLEEOR-REGBWQCZSA-N 374.488 4.307 50 40 FIGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc2ccccc2c1 253579470 ZRFDQSWLQXSMDS-UDWIEESQSA-N 353.219 4.366 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)c1 1211649 HMYRWLBOURNUTA-NTEUORMPSA-N 371.234 4.312 50 40 FIGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)NCc1ccco1 1453321 YFGRMQZRYRAIMA-JLHYYAGUSA-N 352.777 4.416 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 5928237 HIMRYQASEQWMBT-BUVRLJJBSA-N 371.440 4.320 50 40 FIGB C/C(=N\NC(=O)CNc1ccc2ccccc2c1)c1ccc(Cl)cc1 12362313 SWTKKEIQNXFEGJ-OEAKJJBVSA-N 351.837 4.446 50 40 FIGB N#C/C(=C\c1cccc2c1OCO2)C(=O)Nc1cc(Cl)ccc1Cl 40139612 VFBLHJRZTSAJSW-IZZDOVSWSA-N 361.184 4.268 50 40 FIGB CCOc1ccc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1 59678311 YHSZTOVESZIMHV-FYJGNVAPSA-N 350.422 4.041 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1C 59720761 OOXNFGWWBBRAOZ-ZVBGSRNCSA-N 350.249 4.172 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C 408757818 CQOZXHAIJPXKMJ-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccc(F)cc1 409125848 AEUHTNLVSUBOTG-BUVRLJJBSA-N 363.436 4.316 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2c(C)[nH]c3ccccc23)cc1 18191487 DUGZSNPLCSAAFH-HZHRSRAPSA-N 362.477 4.015 50 40 FIGB Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C 33788941 SWVCAOQWBUXEHU-LGMDPLHJSA-N 357.413 4.345 50 40 FIGB CC(C)[C@@H]1C[C@H](CBr)O[C@@]12O[C@H](c1ccccc1)[C@@H](C)N2C 43808044 HGSSIETWJAFVCE-FWEDZOCSSA-N 368.315 4.188 50 40 FIGB COc1cccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c1OC(C)C 44028718 YJKGMKPKADMYSM-SXGWCWSVSA-N 365.385 4.001 50 40 FIGB Cc1noc(C)c1[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl 69351351 OWTXPDOBQDIGPM-ZCFIWIBFSA-N 362.644 4.498 50 40 FIGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccc(F)cc1 408726817 NDYRDJYAKGBAOD-WSDLNYQXSA-N 352.434 4.362 50 40 FIGB Cc1ccc(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 408772975 OBHLKOMDIFVPQT-CIAFOILYSA-N 350.443 4.096 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408792404 BGOXAGSUTFHGNW-GXDHUFHOSA-N 354.793 4.156 50 40 FIGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 408861732 AASNGVMADUEKME-MHWRWJLKSA-N 368.820 4.371 50 40 FIGB C/C(Cc1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl 4499065 CVFJQVBHKFRIFG-UDWIEESQSA-N 351.233 4.107 50 40 FIGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1c(F)cccc1Cl 4525853 PMYZQXBCFLULAZ-LSHDLFTRSA-N 355.800 4.408 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(C)C 7158070 OGZQMRTYWUVHOD-AZPZLGTESA-N 370.493 4.332 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 59133335 NBPUKDQVLJGBCO-BOPFTXTBSA-N 350.418 4.256 50 40 FIGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408540074 MQTLAODXTTXFRP-QNGOZBTKSA-N 369.421 4.318 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1O 408790639 QJAMCHIYNLNHKB-VGOFMYFVSA-N 356.809 4.217 50 40 FIGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1 857437 DWMADFIHDDPLSD-NRFANRHFSA-N 372.424 4.080 50 40 FIGB CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@@H]2c1ccc(O)cc1 4753268 TUVOCNAXTJOGEE-IBGZPJMESA-N 360.413 4.343 50 40 FIGB Cc1cc(SC#N)cc(C)c1NC(=O)C[C@](C)(C(=O)O)c1ccccc1 13469826 YKFLPMOTDMERSA-FQEVSTJZSA-N 368.458 4.248 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2oc3cc(OC)ccc3c2C)cc1 20198158 WSUQJMIGIDCGKI-LPYMAVHISA-N 366.417 4.303 50 40 FIGB Cc1cc(-c2nc3ccccc3s2)ccc1N1C[C@H](C(=O)Cl)CC1=O 45886994 RKNGZFYDJFYMCW-CYBMUJFWSA-N 370.861 4.390 50 40 FIGB O=C(CCc1ncc(-c2ccccc2Cl)o1)Oc1ccc([N+](=O)[O-])cc1 102648935 KLPSMANGKCLZBL-UHFFFAOYSA-N 372.764 4.441 50 40 FIGB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1 225688298 WDURBFGPGMEFTN-QGZVFWFLSA-N 372.303 4.240 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1C 1211632 BXJIMDWQIOQJIQ-NTEUORMPSA-N 371.234 4.312 50 40 FIGB CC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 4545340 RRLMUSGBBVGFCK-DNTJNYDQSA-N 355.196 4.182 50 40 FIGB N#C/C(=C\C=C\c1ccccc1)c1nc2ncc(Br)cc2[nH]1 4676115 WNIGSJVZGKDBFG-ZAUJTXRMSA-N 351.207 4.341 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC(F)F 5070230 CRWQBZHZLHNKMA-UKTHLTGXSA-N 355.344 4.247 50 40 FIGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)C(C)C)cc1 44027102 IBVHLRSJWHEYEH-XDHOZWIPSA-N 363.413 4.184 50 40 FIGB C[C@]12CC[C@H]3[C@H](CC[C@@]45CC(=O)C[C@@H](SS4)[C@]35C)[C@@H]1CCC(=O)O2 104379955 ROCVZARQFKQHCD-VFELUIQASA-N 366.548 4.390 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)cs1)c1ccccc1 206854048 GSMZSWXPTDJTHE-NUBYWOLOSA-N 361.264 4.295 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Cl 408874276 ZSJDUIAHOLFPLO-GXDHUFHOSA-N 354.768 4.037 50 40 FIGB COc1ccc2c(c1)C[C@@H](C)C/C2=N\NC(=O)CSc1ccccc1C 1057180 HKWVTHLMJXZDSX-YMVIQGDUSA-N 368.502 4.199 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(F)F)cc1 3378190 KPVVRVVSRPXLDF-SDNWHVSQSA-N 358.344 4.232 50 40 FIGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 4561411 WWVKCGZUPPPFCY-MFKUBSTISA-N 373.456 4.136 50 40 FIGB CC(C)Oc1ccccc1/C=N/NC(=O)c1ccccc1Br 6538968 XNYLJUIDVYGHFE-YBFXNURJSA-N 361.239 4.000 50 40 FIGB Cc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)c2c(C)noc2n1 32256102 YSXNNWUHQGZYLD-UHFFFAOYSA-N 372.428 4.191 50 40 FIGB COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1O 408747059 YRDAJGVLYOADFJ-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCC2)o1 409190033 UZAJRTFNMOHVHD-SDNWHVSQSA-N 365.389 4.129 50 40 FIGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4175627 WCLYXECIGRWCRR-XFFZJAGNSA-N 362.172 4.447 50 40 FIGB CCCCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1 6651096 BEGAMTFVIQKKPU-HYARGMPZSA-N 366.417 4.384 50 40 FIGB Cc1occc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 6685167 DNRHGXDHSGOFNL-OEAKJJBVSA-N 370.412 4.205 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Cl)c2)c1 408772586 DDOKYOZOXRXNGY-NTEUORMPSA-N 356.809 4.293 50 40 FIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)cc1 1885278 YCAWLSSQLCKNIA-RGVLZGJSSA-N 367.232 4.008 50 40 FIGB CCCCCc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 4285187 VKLFWFYQVJIMKE-PXLXIMEGSA-N 352.482 4.175 50 40 FIGB O=C(N/N=C/c1ccccc1C(F)(F)F)NC12CC3CC(CC(C3)C1)C2 5600269 NEAJGIMKIWUJQC-FOKLQQMPSA-N 365.399 4.307 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1OC 7164654 FPKDBCGHTCZDMI-SFQUDFHCSA-N 358.397 4.403 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 206266535 CQOMXGUXSHNHLQ-KAMYIIQDSA-N 371.234 4.393 50 40 FIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 59426510 PQULNTHXDBXDMW-LPYMAVHISA-N 368.820 4.301 50 40 FIGB CC(=O)/C(=N\Nc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 100903431 UKINEACNKYYGPX-XTQSDGFTSA-N 362.369 4.015 50 40 FIGB COc1cccc(C(=O)N/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)c1 208201831 YEOMFBWTVZQWAA-QKIXXSFTSA-N 365.477 4.181 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)NCc1ccccc1 408858453 PGAZHHPZKBFTJV-LGMDPLHJSA-N 361.832 4.354 50 40 FIGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccco3)c2C)c1 408991880 ZEJHDAXENOGQDU-UNOMPAQXSA-N 359.429 4.219 50 40 FIGB Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)Nc2ccccc23)cc1 3227166 PFSASTDOQLAQMI-GOSISDBHSA-N 370.334 4.143 50 40 FIGB aggregator Cc1cccc2cc(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)c(Cl)nc12 5529642 ACAZOBTVDUCUHB-ZRNXJCNUSA-N 363.848 4.450 50 40 FIGB CN(/C=C\C(=C\C=C(C#N)C#N)c1ccccc1)CC(=O)c1ccccc1 33672771 VDZHXVUWMBAVKB-CVSCILFYSA-N 353.425 4.372 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1O 212596287 ZVCFNVJJJFVIIW-WDZFZDKYSA-N 363.200 4.253 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)cc1 6966497 IJMQTZZSVQXKCZ-IBUSPFOHSA-N 370.456 4.160 50 40 FIGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1O 8344568 LHBBUIBHHGEYQV-SRZZPIQSSA-N 360.841 4.116 50 40 FIGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(O)c(Br)c3)nc2c1 107896179 JAZZLHQFTSQPBG-GHXNOFRVSA-N 354.207 4.404 50 40 FIGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc21 208439792 DSHZUKQKPAUKEW-YDZHTSKRSA-N 351.425 4.221 50 40 FIGB CCn1c(C)c(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc21 409266512 XOHNCTZDUZYOQS-XDHOZWIPSA-N 361.536 4.006 50 40 FIGB N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 904589 RGWNFJMKPBKWEQ-YHYXMXQVSA-N 355.184 4.420 50 40 FIGB N#C/C(=C\c1ccccc1OC(F)F)C(=O)NCc1ccc(Cl)cc1 3243973 KYTWVAKYFUOQLI-NTEUORMPSA-N 362.763 4.165 50 40 FIGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccccn1 6508387 YEUIIHNEPUKXLA-XMHGGMMESA-N 355.397 4.206 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Cl 7893847 PZRSFPZGTSQSON-OEAKJJBVSA-N 362.816 4.269 50 40 FIGB CCCOc1ccc(C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1 11666778 PSPLLMMXKOVYAY-UHFFFAOYSA-N 368.477 4.436 50 40 FIGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)cc1 408779963 OSILHZORJDNHSA-SSZFMOIBSA-N 357.413 4.157 50 40 FIGB O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 1103511 JVIFDNYNTYUOEA-WSDLNYQXSA-N 353.809 4.162 50 40 FIGB O=C(CCl)N1CCC(c2cc(-c3cccc4ccccc34)[nH]n2)CC1 1399626 ZWMOFYWYWREWSX-UHFFFAOYSA-N 353.853 4.175 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3N)o2)cc1Cl 5740482 DAPYVOPXBICZGI-SSDVNMTOSA-N 353.809 4.255 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC)cc2OCC)cc1 20197523 VTUNBTJHPCPXDC-PXLXIMEGSA-N 370.449 4.037 50 40 FIGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 657572 JBIITQMVHOIWLI-UFWORHAWSA-N 357.624 4.419 50 40 FIGB N#C/C(=C\c1ccc(N2Cc3ccccc3C2)cc1)C(=O)NCc1ccco1 781401 RFSIVFPPJMRHOT-UDWIEESQSA-N 369.424 4.023 50 40 FIGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1 3035505 KILPUHRSCWMUCY-XQNSMLJCSA-N 367.493 4.151 50 40 FIGB CCCCOc1ccc([C@@H]2[C@@H]3CCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 5789953 UCEXNLBILDLWGJ-WIYYLYMNSA-N 372.472 4.459 50 40 FIGB CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 17076297 BTNFIJPJCYSQSL-OLWBIZNASA-N 372.472 4.367 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1 111917176 BROPVTXLBFPWTA-MFKUBSTISA-N 370.452 4.177 50 40 FIGB CCc1ccc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 408535060 XKUBFTSRFQATGD-ZMOGYAJESA-N 363.383 4.220 50 40 FIGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OC 408570749 YBAFWKIZMZHCSB-WZUFQYTHSA-N 357.772 4.437 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(F)cccc2Cl)c([N+](=O)[O-])c1 408922762 GLBRUIJCNJLYJC-DHZHZOJOSA-N 359.744 4.241 50 40 FIGB O=C(CBr)c1c(F)ccc(C(F)(F)F)c1Br 575689799 FWUDBKHNHBGQPF-UHFFFAOYSA-N 363.930 4.185 50 40 FIGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3167248 GJVBVQRXWABYPC-SRZZPIQSSA-N 363.244 4.251 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C\c1cn(CCC#N)c2ccccc12 5215371 BYJOEVBHPJEAON-SSZFMOIBSA-N 370.412 4.109 50 40 FIGB COc1cc(Cl)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408568244 INJKFRSZJZWLGQ-WZUFQYTHSA-N 357.772 4.437 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccc(F)cc1 408737778 GSWSLJWVOHKAGJ-FSJBWODESA-N 353.372 4.136 50 40 FIGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1 408864355 YWXQSCAQMOFJQG-LFIBNONCSA-N 368.820 4.371 50 40 FIGB CC[C@H](C)n1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc21 408963731 ANKCABDBVWPLOL-HZZGJGATSA-N 362.408 4.387 50 40 FIGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(F)cc1 2675506 PEUOGLSTHOASBM-SRZZPIQSSA-N 369.223 4.442 50 40 FIGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)cc1 6337644 UNDPDUUEHUYYRG-UKTHLTGXSA-N 374.227 4.497 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)cc2)cc1 4674550 GWXUOLWPPQOAQP-OBGWFSINSA-N 361.445 4.231 50 40 FIGB C=CCc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(OCC)c1O 59249257 NTEYHDUDANVNHX-BUVRLJJBSA-N 374.440 4.437 50 40 FIGB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCBr)cc1 225698658 SDNGPULOJARGFG-KRWDZBQOSA-N 372.303 4.384 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408782662 INSSKTLDUCFCEQ-YDZHTSKRSA-N 365.408 4.006 50 40 FIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)n1 408976494 FTGZZINVXLGEKR-WOJGMQOQSA-N 362.408 4.294 50 40 FIGB COc1ccc(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 4739164 HVOVFTVTAXBWEX-DJKKODMXSA-N 369.273 4.244 50 40 FIGB CCC[C@H](NC(=O)NNC(=O)c1oc2ccccc2c1C)c1ccccc1 32795229 QIGXCNKDOMNPIQ-KRWDZBQOSA-N 365.433 4.227 50 40 FIGB CCCc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 49992034 WMABBQQXISLEJY-UHFFFAOYSA-N 358.441 4.381 50 40 FIGB CCOC(=O)/C(C#N)=C(\SC)[C@@H]1C(=C(C#N)C#N)C=C(C)CC1(C)C 59662423 ZBGMXOQSMQVNMG-SCDSTIRESA-N 355.463 4.026 50 40 FIGB O=C1OC(=O)[C@@H]2CC=C[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H]12 257354092 VQSAROVLKPMLEQ-TUAOUCFPSA-N 364.241 4.084 50 40 FIGB C=CCn1c(C)c(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)c2ccccc21 409381103 DZKXLABYLIDWKW-QGOAFFKASA-N 358.445 4.231 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1[N+](=O)[O-] 704697 RNDUFIHZDNKRGB-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB Cc1ccccc1N1C(N)=C(C#N)[C@@H](c2ccc(F)cc2)C2=C1CCCC2=O 1064869 IBKXGFLKSJPOPR-OAQYLSRUSA-N 373.431 4.439 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1 3027056 JKYQHVQJISVQPK-LPYMAVHISA-N 373.884 4.024 50 40 FIGB N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1ccccc1 5646843 WBATZSIKDFLNTD-IBGZPJMESA-N 364.408 4.448 50 40 FIGB N#CC(C#N)=Cc1cn(CCC(=O)O)nc1-c1ccc(-c2ccccc2)cc1 3273738 JSNLGGBQGVJCCG-UHFFFAOYSA-N 368.396 4.122 50 40 FIGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc([N+](=O)[O-])c1 4280968 YKRJWEPUOHQWGM-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB C[C@@H](Nc1c([N+](=O)[O-])c(=O)oc2ccccc12)[C@@H](Cl)c1ccccc1 8691365 KZHVJVXQGZPYNM-IAQYHMDHSA-N 358.781 4.482 50 40 FIGB CC(C)CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 8916590 UZRVALVHMIIMEN-FQEVSTJZSA-N 350.418 4.035 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2C#N)c1 9201915 VEXOCLPWVHHXNA-MFKUBSTISA-N 369.424 4.210 50 40 FIGB Cc1c(NC(=O)NCCCl)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C 44676151 PIGHMOOMWDTEGX-UHFFFAOYSA-N 353.850 4.222 50 40 FIGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(C)c1O 106133888 YAOOUYQADPINSI-OYKKKHCWSA-N 374.440 4.205 50 40 FIGB O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccc(Cl)c(Cl)c1 2639777 SVDCZLXBSFSIES-UHFFFAOYSA-N 369.273 4.009 50 40 FIGB N#CC1=C(n2ncnc2-c2ccc3c(c2)OCO3)S[C@@H]2CCCCC[C@H]12 5019047 YOFHZOCZWZAQQV-CXAGYDPISA-N 366.446 4.062 50 40 FIGB CCOP(=O)(OCC)C(C)(C)C/C(C)=N/NC(=O)c1ccccc1 5711301 BUHIQKRNGIJOMJ-NBVRZTHBSA-N 354.387 4.227 50 40 FIGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 7931792 XPCBHJCQRSAYMH-KEBDBYFISA-N 367.232 4.165 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccccc1-n1cccc1 35614700 RJCOKJRPSRKUCZ-MOHJPFBDSA-N 372.472 4.232 50 40 FIGB Cc1[nH]c2ccccc2c1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 105524710 YWDUERNYCNERTE-RVDMUPIBSA-N 364.412 4.180 50 40 FIGB CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 4427000 YVJUSFRZLQXENV-OAHLLOKOSA-N 350.466 4.223 50 40 FIGB O=C(c1ccc(Cl)cc1Cl)[C@@H](Br)CBr 307677381 IXIUHHLXBGJPAE-ZETCQYMHSA-N 360.860 4.335 50 40 FIGB CC(C)Oc1ccccc1/C=N/NC(=O)c1cccc(Br)c1 408603625 SBUOQAIOZZKYPM-YBFXNURJSA-N 361.239 4.000 50 40 FIGB COc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1Br 408691821 RWQZKBIOQHQAMJ-ZSOIEALJSA-N 368.234 4.415 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2O)cc1 408760364 XJRZPUUUWHSSAO-JYRVWZFOSA-N 357.207 4.009 50 40 FIGB O=C(N/N=C/c1ccncc1)c1ccc(CSCc2ccccc2)cc1 636431 OHMOJEBVTBTBBC-OEAKJJBVSA-N 361.470 4.279 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(OCC)c1 656783 IMDRLZFTHLPGQD-HUCUOGIVSA-N 364.445 4.268 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(C(=O)OCC)c2)o1 1064061 XMPADOYQGNXPEY-LCYFTJDESA-N 373.792 4.247 50 40 FIGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4)CC(=O)N3C2)cc1 4923206 GZRHHELQTLANSS-GOSISDBHSA-N 361.470 4.215 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccccc2OC(F)(F)F)cc1 14185339 QYIMIGUMRADIMJ-XNTDXEJSSA-N 367.348 4.232 50 40 FIGB O=C(CCl)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 226327778 QZSPPNGHHGVWCV-UHFFFAOYSA-N 365.614 4.435 50 40 FIGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccncc3)cc2[C@H](C)CC1(C)C 260562642 AXVJPYWFKUTDTQ-HUSFYUSLSA-N 364.493 4.346 50 40 FIGB COC(C)(C)CCOc1ccc2nc(NC(=O)[C@@H](C)Cl)sc2c1 20132119 LZMKALXJODKIFE-SNVBAGLBSA-N 356.875 4.056 50 40 FIGB C=CCc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(OCC)c1O 59679338 KTRSGGKFISEFQE-BUVRLJJBSA-N 374.440 4.437 50 40 FIGB Cc1ccccc1C(=O)NNC(=O)N1CCC[C@@H]1c1cccc2ccccc12 95369566 BOTKKNJLLPJQLH-OAQYLSRUSA-N 373.456 4.340 50 40 FIGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)o1 408745553 NTRWTVFZAHESAB-QINSGFPZSA-N 372.380 4.499 50 40 FIGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccccc1OCC#N 408812736 PJSKZNKDDJKZON-RVDMUPIBSA-N 351.793 4.096 50 40 FIGB CCC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)s1 5792041 IFXMLGLACKIYAB-WOJGMQOQSA-N 350.827 4.064 50 40 FIGB Cc1cccc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 6382693 OOBZMXFQTRCMQR-OJNRTJSBSA-N 361.470 4.482 50 40 FIGB O=C(CCCCl)Nc1nc2c(Br)cc(F)cc2s1 20133578 KWIHWZBWUKLLAU-UHFFFAOYSA-N 351.628 4.155 50 40 FIGB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCBr)cc1 225738191 UGXKIEWTAYBUJE-KRWDZBQOSA-N 372.303 4.384 50 40 FIGB Cc1ccc(C)c(OCc2ccc(C(=O)N/N=C/c3ccc(F)s3)o2)c1 252489278 JNLNRMBSNTZWDH-UFFVCSGVSA-N 372.421 4.440 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 252490431 KTGIYTWWIPYMGO-XFFZJAGNSA-N 360.753 4.287 50 40 FIGB N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cc1 409018846 WYYACNQOBUZQTL-OWBHPGMISA-N 363.804 4.382 50 40 FIGB Cc1ccc2nc(Br)c3c(c2c1)O[C@H](CBr)C3 640967 MWUYARNFAOQTSV-QMMMGPOBSA-N 357.045 4.004 50 40 FIGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)s1 712680 UASCTYUPFWCOKC-INIZCTEOSA-N 356.491 4.496 50 40 FIGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 804107 PLOKADGONDFJSE-LJQANCHMSA-N 353.853 4.404 50 40 FIGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1 4677766 WSQFWWICRZRXAO-PXLXIMEGSA-N 362.433 4.020 50 40 FIGB CCOc1cc(C(=O)N/N=C/C2CCCCC2)cc(OCC)c1OCC 5906168 BUYGPWNCLVRXIU-KGENOOAVSA-N 362.470 4.179 50 40 FIGB C=C(C)[C@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195758752 RHMYFPXXDRFLGR-JOCHJYFZSA-N 368.593 4.280 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(F)c(Cl)c1 408783757 QOFIYTWZJNSEMS-NVNXTCNLSA-N 359.832 4.318 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccc(-n2cccc2)cc1 408960296 KVKUVDOQHSWBFH-MOHJPFBDSA-N 372.472 4.232 50 40 FIGB CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 1248778 CJGKFUISSXUDTN-LJQANCHMSA-N 374.419 4.182 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 3151949 YMFUUIBKCLMVSX-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)cc1 6172957 UDQGVZIRWONWQC-RGEXLXHISA-N 362.429 4.361 50 40 FIGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)cc4c3OCOC4)nc2c1 12462617 MLXCUAJEKXGLOS-ACAGNQJTSA-N 351.793 4.455 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc2ccccc2c1 13618275 MVTBHIFETZLZNL-BKUYFWCQSA-N 360.442 4.445 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 15219904 QROLZSLFEJCVEE-BOPFTXTBSA-N 350.418 4.256 50 40 FIGB O=C(Cc1ccccc1)N/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1 36843841 VJXOHWGDLFYVGH-UFFVCSGVSA-N 361.228 4.114 50 40 FIGB O=C(c1ccccc1)[C@@H]1[C@@H]2[C@@H]3C[C@H](Cl)[C@H](C3)[C@@H]2ON1c1ccccc1 229942868 DYGLKPUISJDAQN-LNZVJWDNSA-N 353.849 4.322 50 40 FIGB CC[C@@H](Nc1cccc(Br)c1)C(=O)NN=C1CCCC[C@H]1C 5737249 NEPRCGZIZAZBAP-IUODEOHRSA-N 366.303 4.322 50 40 FIGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccccc1Cl 20249027 NPKZFYCHMQNHIA-DJKKODMXSA-N 353.274 4.377 50 40 FIGB COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2)o1 409147223 WZIZKVXYYWMDTM-CIAFOILYSA-N 354.793 4.373 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccccc1O 409215381 ZZIPZYATEAPTKK-KSEXSDGBSA-N 374.318 4.435 50 40 FIGB O=C(COc1cccc2ccccc12)N/N=C/c1cccn1-c1ccccc1 4712302 ZIXPIMCDWPRZGS-LFVJCYFKSA-N 369.424 4.160 50 40 FIGB CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21 8904047 ZYJLOJCDUOGUDP-MRXNPFEDSA-N 366.465 4.104 50 40 FIGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 59473641 GWMSPXPUEMMPNC-HMHKGCENSA-N 362.882 4.370 50 40 FIGB N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 98053952 LGZTXUDDLWMJSQ-ZSOIEALJSA-N 356.765 4.474 50 40 FIGB C#CCOc1ccc(OC)cc1/C=C(\C#N)Sc1nc2ccccc2[nH]1 408598912 KYVXGOCYAXPIFQ-FOWTUZBSSA-N 361.426 4.240 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl 408788925 NCQGOUAYTJYSIP-RVDMUPIBSA-N 368.820 4.459 50 40 FIGB Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)c1 408960798 OCXQAITZYVMYID-HMAPJEAMSA-N 350.466 4.368 50 40 FIGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 3151698 UZOGXUDXFVXBHG-DJKKODMXSA-N 353.274 4.377 50 40 FIGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1ccc(Cl)cc1 4348939 YPWXECHGVLOCII-POXGOMBFSA-N 354.837 4.481 50 40 FIGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 6959711 ULDGZNVTJLPUOT-QGOAFFKASA-N 362.429 4.368 50 40 FIGB Cc1cc(C)c(NC(=S)NNC(=O)c2c[nH]c3ccccc23)c(Cl)c1 15150507 RQUQYDYLUGBPHY-UHFFFAOYSA-N 372.881 4.070 50 40 FIGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 40948873 NBWAQMPETGOBGX-SAPNQHFASA-N 350.418 4.420 50 40 FIGB C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC 408583468 UUUVEIBNGBMFMR-MHWRWJLKSA-N 353.805 4.433 50 40 FIGB C#CCn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21 408599058 OATBVYJURYICRU-BUVRLJJBSA-N 351.409 4.192 50 40 FIGB FC(F)(F)CNc1ccccc1OC[C@@H](Br)C(F)(F)F 1083811767 NMYOCTXDCAFXKB-SECBINFHSA-N 366.099 4.365 50 40 FIGB C[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2315554 YLHHOQSOZYGGIZ-VHSXEESVSA-N 369.328 4.493 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)N(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 4705364 IIPWLXUVDBATBS-RIYZIHGNSA-N 362.260 4.396 50 40 FIGB CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@H]2c1ccc(O)cc1 4753266 TUVOCNAXTJOGEE-LJQANCHMSA-N 360.413 4.343 50 40 FIGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(Br)c1 5892823 JIOAKYSLHBPASE-MHENUPEQSA-N 357.251 4.093 50 40 FIGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 30822101 QCLYNLOREKKOFY-JAIQZWGSSA-N 369.764 4.272 50 40 FIGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1 213933489 QTEOCNMVMPOEON-BOPFTXTBSA-N 354.837 4.351 50 40 FIGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccs2)c1 408998889 SMQAGLOQCRSTHE-FYJGNVAPSA-N 363.442 4.073 50 40 FIGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)c1nc2ccccc2o1 409047053 MJSBMGNRRXZXFV-KPKJPENVSA-N 354.749 4.009 50 40 FIGB COc1cccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)c1 409349362 QGKNVAWRCPIGRP-LPYMAVHISA-N 370.449 4.034 50 40 FIGB CC(C)(C)OC(=O)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 12924348 XYHMAGSUJLKTNN-MRXNPFEDSA-N 358.463 4.076 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1 28216784 FLVZEPYCAVYWBM-YDZHTSKRSA-N 365.408 4.006 50 40 FIGB N#C/C(=C\c1cc(Br)ccc1F)C(=O)c1ccc2c(c1)OCO2 44028798 YUBMYABJSDCLPK-LFYBBSHMSA-N 374.165 4.107 50 40 FIGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)cc1 59333884 XTLDDFUMUIFJNE-ZHZULCJRSA-N 356.425 4.414 50 40 FIGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 626524 UKAIGZANXWUDSY-LJQANCHMSA-N 353.853 4.404 50 40 FIGB C[C@H]([C@@H](c1ccccc1)[C@H](Br)C(=O)c1ccccc1)[N+](=O)[O-] 4409350 YLGKZGRDOXHCOU-KCXAZCMYSA-N 362.223 4.082 50 40 FIGB COc1ccc2[nH]c(/C(C#N)=C/c3cc4c(cc3Cl)OCO4)nc2c1 9263606 YIFMNQUAPXTZJK-NYYWCZLTSA-N 353.765 4.018 50 40 FIGB NC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408889514 DLQPSHZOJAJFKM-IFRROFPPSA-N 372.639 4.228 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)cc1 408951018 HHJCUNVXBXKTHU-SDXDJHTJSA-N 370.456 4.397 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c3ccccc32)cc1 5334027 TYRHBLWTMBMIPD-BUVRLJJBSA-N 370.456 4.011 50 40 FIGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 5678046 RPZRMKOUAAXZBS-NTEUORMPSA-N 356.809 4.211 50 40 FIGB C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 12362208 PKRMJGHVZYSKLL-JCMHNJIXSA-N 359.385 4.416 50 40 FIGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 108210470 JWSWWVTWZKOQLL-WDZFZDKYSA-N 362.172 4.447 50 40 FIGB C/C(=N\NC(N)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118924738 SFYQWEXDMJQYIT-VSPNXBHPSA-N 373.541 4.259 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OC(C)C)c1 171814271 XATCGSLYHMLIRH-XNTDXEJSSA-N 354.381 4.167 50 40 FIGB FC(F)(F)c1cccc(I)c1CBr 238573538 PWMGXTINSRULKW-UHFFFAOYSA-N 364.930 4.205 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1OCC 408859271 RVSGWMZBFUHEJC-FYJGNVAPSA-N 358.825 4.067 50 40 FIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1-n1cccc1 1299633 AFKIQSGBABRACU-YDZHTSKRSA-N 357.335 4.260 50 40 FIGB COc1ccccc1-c1ncnn1C1=C(C#N)[C@H]2CCCCC[C@H]2S1 5019060 QGJWMTWMGAXBIM-CXAGYDPISA-N 352.463 4.342 50 40 FIGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 96476322 MJNIRFOWHDOUBI-SQFISAMPSA-N 361.376 4.171 50 40 FIGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(F)cc1 8812337 RJIBEWUCQDDUKK-ZMOGYAJESA-N 366.367 4.308 50 40 FIGB CC(C)[C@@H](NC(=O)[C@H]1C=CC(Cl)=C[C@H]1Cl)c1nc2ccccc2[nH]1 102763906 SEGLMRSDGFVHGE-WOSRLPQWSA-N 364.276 4.292 50 40 FIGB CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846206 BWZAWEATBKUYPF-NRFANRHFSA-N 363.461 4.446 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@@H]1O[C@H]2[C@@H](Br)[C@@H]1Br 96171589 USULQEPPCHUSBL-QEYWKRMJSA-N 371.978 4.358 50 40 FIGB O=C(N/N=C/c1ccc2ccccc2c1O)c1sc2ccccc2c1O 704090 WCDXOPHXUKXBTF-SRZZPIQSSA-N 362.410 4.230 50 40 FIGB CC(C)OC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1 946434 OALPOCUZPSKQJV-LFIBNONCSA-N 368.820 4.451 50 40 FIGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(Br)cc1 4567704 BRYQZWFFSUNEHV-QWSZEGLUSA-N 357.251 4.093 50 40 FIGB O=C(CNc1ccccc1)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21 34878596 PKSWAOSSTCFMCN-WTALZMIHSA-N 371.440 4.143 50 40 FIGB O=C(N/N=C/c1ccccc1Br)c1cccc(C(F)(F)F)c1 59921287 QNLQATYWZXMFOT-AWQFTUOYSA-N 371.156 4.232 50 40 FIGB CCOC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 3241932 YLMRAVGBAHLKPP-LPYMAVHISA-N 374.400 4.366 50 40 FIGB C/C(=N\NC(=O)c1cncc(Br)c1)c1ccc2ccccc2c1 4673495 BLDFLKAQOOCNKP-CIAFOILYSA-N 368.234 4.151 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)cc1Br 14134781 CCWOFEABOMBJJR-VXLYETTFSA-N 373.206 4.374 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc(C)c1 59133408 ACIJTUGNKUAXEX-ODLFYWEKSA-N 364.445 4.014 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccccc1F 59334758 FQKUGEQJMNCIQI-UYRXBGFRSA-N 364.420 4.128 50 40 FIGB N#C/C(=C1/NNC(=N)C(c2ccc(Cl)cc2)=C1O)c1ccc(Cl)cc1 104276185 BUMMMFOUCGXOSF-PEZBUJJGSA-N 371.227 4.282 50 40 FIGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408795618 MIRHDBKUXCNJFL-IZZDOVSWSA-N 362.172 4.447 50 40 FIGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1 408948691 DCPZLYRFTFFDLF-NHDPSOOVSA-N 368.776 4.062 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)Nc1ccccc1Cl 408962464 YKCHODIWMDGAAS-STZFKDTASA-N 356.857 4.486 50 40 FIGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccco3)c3ccccc32)cc1 409368246 VQRVVPLOUPRCDJ-YDZHTSKRSA-N 357.413 4.355 50 40 FIGB O=C(CBr)CCCCCCCCC(=O)CBr 1671969 JBSNFHDKPPFBGK-UHFFFAOYSA-N 356.098 4.035 50 40 FIGB COc1cc(N2CCCC2)ccc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408567495 FIAOCGXBWUNYOL-GDNBJRDFSA-N 362.408 4.375 50 40 FIGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccccc1 408588310 IZLCEQAIMLIZET-DEDYPNTBSA-N 373.547 4.131 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OCC 408807850 LGFGUSNJXNBWAX-VTYXAESKSA-N 356.466 4.086 50 40 FIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CCC(=O)Nc2ccc(C)c(C)c2)C1 672646 VPIGFMXPPGUGOF-DXXYHEOZSA-N 367.493 4.427 50 40 FIGB CC/C(=N/NC(=O)c1ccc(OC)c(OC)c1)C12CC3CC(CC(C3)C1)C2 4651661 SAYJUQXJGJXRDG-ATJXCDBQSA-N 370.493 4.416 50 40 FIGB O=C(N/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 16711515 DYVBIGHTHDERHV-GYHWCHFESA-N 371.465 4.452 50 40 FIGB Cc1c(/C=N\NC(=O)Cc2cccc3ccccc23)c2ccccc2n1C 33324136 NTMYLBUPEAHRTN-IWIPYMOSSA-N 355.441 4.333 50 40 FIGB O=C(COc1cccc2ccccc12)N/N=C\c1cccn1-c1ccccc1 34388510 ZIXPIMCDWPRZGS-JLPGSUDCSA-N 369.424 4.160 50 40 FIGB N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)c1ccc2c(c1)OCO2 44028690 HQFQUBNRSSUXRF-LFYBBSHMSA-N 374.165 4.107 50 40 FIGB O=C(NNc1ccc(F)cc1)c1nc(-c2ccccc2)n2c1CCCCC2 47435566 BDFQSGLMYMHYQP-UHFFFAOYSA-N 364.424 4.173 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccco3)cc2)cc1 408762903 CJTHEYLAEBCSDC-LGMDPLHJSA-N 372.380 4.353 50 40 FIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2c(F)cccc2Cl)cc1 409148099 XDGYPZDGCRNLCL-QDBSGRMGSA-N 350.846 4.418 50 40 FIGB Cc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 409390516 DQSRLGRJXFXOOG-HAHDFKILSA-N 373.412 4.185 50 40 FIGB CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2ccncc2c1 1776011306 BFVPSJXQYCJEKC-UHFFFAOYSA-N 359.426 4.416 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Br)o1 4113316 MDNGGYVBPXWBEW-OMCISZLKSA-N 362.010 4.113 50 40 FIGB Cc1ccc(C)c(NC(=S)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 8687141 DQBHDBKKFYMJPE-NSHDSACASA-N 373.547 4.121 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1[C@H]2CCCC[C@]12C 100228707 XZWPSJQITJDOLR-FZYXMWPSSA-N 360.457 4.128 50 40 FIGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Cl 408741234 HQURQTKGPIURAY-JYRVWZFOSA-N 372.211 4.441 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)c1 408746827 WHPACMCAZLCKAN-ATVHPVEESA-N 350.418 4.418 50 40 FIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1 409120014 SEZUAEJYYXYWDB-REIAIGDLSA-N 356.491 4.413 50 40 FIGB N#CC1=C(SCCCc2ccccc2)NC(=O)C[C@@H]1c1cccs1 409146583 UAXVUEZXEBYENM-HNNXBMFYSA-N 354.500 4.453 50 40 FIGB COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)NC1CCCCC1 409244561 FNMICYKGVMHIFB-JXAWBTAJSA-N 367.493 4.041 50 40 FIGB Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c1 6969472 NIBXGIAHSIXFRX-FSJBWODESA-N 366.852 4.215 50 40 FIGB C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CCC(=O)Nc2ccccc2Cl)C1 12404066 UJKXPMGZUYQULT-SAZKUCFMSA-N 373.884 4.463 50 40 FIGB CCCCOc1ccc([C@@H]2[C@H]3CCCC=C3C(N)=C(C#N)C2(C#N)C#N)cc1 16037312 UCEXNLBILDLWGJ-GHTZIAJQSA-N 372.472 4.459 50 40 FIGB CC(C)(C)c1cc(/C=N\NC(=O)c2ccccc2O)cc(C(C)(C)C)c1O 96551632 WDOOULVPILVSPO-QRVIBDJDSA-N 368.477 4.457 50 40 FIGB O=C1C(Cl)=C(Cl)/C(=C2\C(Cl)=C(Cl)C(=O)[C@@H]2Cl)[C@@H]1Cl 104354485 GHVNIBIIVZDISX-GIROVESRSA-N 366.842 4.042 50 40 FIGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 108208150 AOSLGFSZWPZDNX-WDZFZDKYSA-N 362.172 4.447 50 40 FIGB COc1ccc(C(=O)NNc2nc(-c3ccc(Cl)cc3)cs2)cc1 1414981 BXGGRBUNNTZXFD-UHFFFAOYSA-N 359.838 4.229 50 40 FIGB N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(=O)O)cc1 3616563 PXYUZGKRDVAVRZ-XYOKQWHBSA-N 361.184 4.237 50 40 FIGB O=C(COc1ccc2ccccc2c1)N/N=C/c1c(F)cccc1Cl 12465564 SKASEKMXSRLWMK-SSDVNMTOSA-N 356.784 4.161 50 40 FIGB O=C(NNc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 14907342 ROUNVLRUISUAOX-UHFFFAOYSA-N 359.691 4.024 50 40 FIGB C/C(=N\NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccco1 58679590 FGXKLDSOYIQHSO-KEBDBYFISA-N 359.838 4.398 50 40 FIGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1CC 408871564 YZPXQIRWZPAFMI-SFQUDFHCSA-N 364.832 4.460 50 40 FIGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl)OCO2 409100650 VXSOETBKXZCOSD-NTUHNPAUSA-N 370.792 4.013 50 40 FIGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 804105 PLOKADGONDFJSE-IBGZPJMESA-N 353.853 4.404 50 40 FIGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccccc1Br 4815511 VMDJLMGIARSIKG-QGMBQPNBSA-N 355.594 4.006 50 40 FIGB C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccco1 4964593 USGVFONVTPBREF-DEDYPNTBSA-N 364.430 4.142 50 40 FIGB C[C@H](Sc1ccccn1)C(=O)N/N=C/c1c(Cl)cccc1Cl 5130128 KJCGGQIIMJCNEE-XPAGJJBOSA-N 354.262 4.019 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccc(N)cc2)c(C)n1-c1ccc(Cl)cc1 5163594 CFVHKMPVUGPXDK-FSJBWODESA-N 366.852 4.094 50 40 FIGB COc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 33572948 ROWCCRQZXODZPY-AWQFTUOYSA-N 367.232 4.083 50 40 FIGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccccc1C 36612313 VPHTUKPDXOZVHY-LZYBPNLTSA-N 370.836 4.018 50 40 FIGB COc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(C)nc3)o2)cc1Cl 44965633 FLPJVGUSUDKOFJ-JJFYIABZSA-N 369.808 4.076 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 108207616 PMBMZYLOTFFXGZ-LCYFTJDESA-N 357.207 4.003 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(OCC)c1 408820428 WBRJHNQXQMMAAF-PTNGSMBKSA-N 354.381 4.169 50 40 FIGB O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(C(=O)CCl)cc1 1749682 GZLGVLKOVPWCHM-UHFFFAOYSA-N 372.635 4.432 50 40 FIGB O=C(N/N=C/c1ccc(Br)s1)c1ccccc1-n1cccc1 7889852 YVKMIZKOKDOVFS-WOJGMQOQSA-N 374.263 4.065 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OC 211424208 MTLJYZFEMRACED-JYRVWZFOSA-N 374.799 4.432 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(OC)cc2)cc1 408954618 UDNBTQGVRHCUQG-PEZBUJJGSA-N 373.412 4.040 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 824994 XRBNINFWDIOBFE-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1 1087091 YHTXNRWVUFOQED-JJIBRWJFSA-N 357.457 4.035 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCC 1705463 RATVOYQTDMKIKJ-HZHRSRAPSA-N 362.429 4.401 50 40 FIGB N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4813990 VBRNCJZZVULBRX-YRNVUSSQSA-N 368.330 4.284 50 40 FIGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(F)cc2)c(OC(C)C)c1 8812171 AHNGTPDEJPFUKH-WSDLNYQXSA-N 358.413 4.164 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC 15219433 ZYSLPBLLJVDDRW-ATVHPVEESA-N 350.418 4.338 50 40 FIGB COc1cccc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)c1 40068656 ILSYVTWISKIUGE-NBVRZTHBSA-N 354.456 4.309 50 40 FIGB COc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1OC 57986548 OPEYBMRBGNVQMR-CQSZACIVSA-N 355.525 4.034 50 40 FIGB biogenic O=C(NNc1ccc(F)cc1)c1ccc(N2CCc3ccccc3C2)cc1 58256460 JXIQQGHJJXZFAR-UHFFFAOYSA-N 361.420 4.145 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 408735399 RIAZXEDURTVLTD-RIYZIHGNSA-N 356.809 4.211 50 40 FIGB COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c2ccccc12 1880078 UURACWZDXARGKK-ZVHZXABRSA-N 370.408 4.471 50 40 FIGB COC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2751389 UFDZQBOBISOMMW-DHDCSXOGSA-N 357.793 4.008 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(CNc3ccccc3)cc2)cc1 2762933 GDJBURJSJBUUBI-KOEQRZSOSA-N 373.456 4.461 50 40 FIGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(Br)c1 828415 GGGQAAIOJWUELQ-RGVLZGJSSA-N 369.218 4.072 50 40 FIGB N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 4599103 OYZZIURWDJSTRP-XYOKQWHBSA-N 361.279 4.159 50 40 FIGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(C#N)cc4)nc(O)c23)C1 96669425 YFLZWBXVOVNYLC-ZENNRRHLSA-N 372.453 4.458 50 40 FIGB FC(F)(F)c1cccc(CBr)c1I 238573026 GATRRPKRISZJBU-UHFFFAOYSA-N 364.930 4.205 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccccc1F 301244208 WZIQTFQGPAJNKB-ATVHPVEESA-N 351.425 4.199 50 40 FIGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1 1769776 QMYOJMRXHPKHJJ-NTCAYCPXSA-N 354.431 4.251 50 40 FIGB C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccc(Cl)cc1 4899272 LISTWLRTQQWDLI-RGVLZGJSSA-N 359.838 4.114 50 40 FIGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(OC)cc2s1 20133018 ADSOMXKHGOLIGY-SNVBAGLBSA-N 357.273 4.197 50 40 FIGB O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccccc1OCc1ccc(F)cc1 38332108 RIIPNLIAQKLWLV-AJXLIMTDSA-N 350.393 4.087 50 40 FIGB N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1c(Cl)cccc1Cl 48301775 HOJXEDPZQGGVNQ-FLIBITNWSA-N 362.172 4.447 50 40 FIGB COC(=O)Cn1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c2ccccc21 51093219 BHOAWVVASMVSPM-GDNBJRDFSA-N 370.412 4.063 50 40 FIGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(Br)cc1 408754659 GQHYUYVAPHNVIZ-UVTDQMKNSA-N 369.218 4.197 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OCC 408807849 LGFGUSNJXNBWAX-QPYDYZPCSA-N 356.466 4.086 50 40 FIGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 1423198 XIVJMSMONMTHHY-KRWDZBQOSA-N 360.244 4.278 50 40 FIGB COc1cc(SSc2ccc([N+](=O)[O-])c(OC)c2)ccc1[N+](=O)[O-] 2559249 URYGRGFXNGGDPK-UHFFFAOYSA-N 368.392 4.320 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccco1 5480067 VOBVPRCMEWUHAD-YDZHTSKRSA-N 370.412 4.076 50 40 FIGB CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6827187 GKKXCZQOWMQOMF-MHWRWJLKSA-N 365.389 4.175 50 40 FIGB O=C(Cc1c[nH]c2ccccc12)NN(Cc1ccccc1)c1ccccc1 8073656 LXOVUTMFIHTPPP-UHFFFAOYSA-N 355.441 4.448 50 40 FIGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1 408812164 NWSFOJPALNWFEJ-ZSOIEALJSA-N 361.228 4.225 50 40 FIGB CCOc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 409113459 GDIWQSWNCCXPEG-WASCAKKMSA-N 356.491 4.415 50 40 FIGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 622731 CGQSKLPNAGQZDN-QGZVFWFLSA-N 374.469 4.325 50 40 FIGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1OC 5792383 AFNNQEUZUXHMRQ-GXDHUFHOSA-N 356.809 4.211 50 40 FIGB COc1cccc2cc(/C(C)=N/NC(=O)c3cn(C)c4ccccc34)oc12 7917960 ZYDJVXXCZULTSC-LPYMAVHISA-N 361.401 4.087 50 40 FIGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 16575609 SFRHYZOGJZWKAH-CPNJWEJPSA-N 373.456 4.221 50 40 FIGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccn3)c2C)cc1 58607451 WWLUINRSJUMTBX-CPNJWEJPSA-N 356.429 4.343 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 245380455 ZMEYSZLLVYTWAR-WPZNXDBMSA-N 367.449 4.374 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1 5597576 JWTIJQOMILDEMG-SAPNQHFASA-N 350.418 4.420 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 6998082 UOPTYRCMNROXAA-CIAFOILYSA-N 374.893 4.288 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2ccccc2)on1)c1ccc2ccccc2c1O 83813146 NCANQUIGWCQIKL-OEAKJJBVSA-N 371.396 4.354 50 40 FIGB Cc1nc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)oc1C 102171759 VKTNNAXDYPRSHZ-SPSOFYIISA-N 357.460 4.294 50 40 FIGB C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]45O[C@]4(C)C(O)=C(C#N)C[C@]5(C)[C@H]3CC[C@@]21C 118913586 CETKWEWBSMKADK-GSXVSZIWSA-N 357.494 4.247 50 40 FIGB in-man CN(C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2)cc1 408783710 QIQMHXKVOZGKEI-KAMYIIQDSA-N 370.250 4.061 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(C)c4ccccc34)cc2c1 409187306 ORZHOUWYFAEUJQ-UUYOSTAYSA-N 361.401 4.087 50 40 FIGB CC(C)[C@@H](NC(=O)[C@@H]1C=CC(Cl)=C[C@@H]1Cl)c1nc2ccccc2[nH]1 5020166 SEGLMRSDGFVHGE-DVOMOZLQSA-N 364.276 4.292 50 40 FIGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)c1 13425513 DZNMYFOZSTUCPV-UFFVCSGVSA-N 364.232 4.106 50 40 FIGB Cc1occc1C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 67192606 LWGXNVFEPOTSKX-YDZHTSKRSA-N 357.413 4.355 50 40 FIGB CN(C)c1ccc(N=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1 100989582 VUYLFOXECWXLIL-UHFFFAOYSA-N 374.407 4.140 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1cccn1-c1ccc(C)c(Cl)c1 409019452 JINKIDUIZCVURY-LPYMAVHISA-N 367.836 4.212 50 40 FIGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccn3)c2C)c1 409246785 DLDRJUMHAKGVSI-PDGQHHTCSA-N 372.428 4.043 50 40 FIGB Cc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 2282807 YTWLSLOXTOICTC-HRAATJIYSA-N 374.415 4.343 50 40 FIGB CCC(=O)Oc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 3902883 SKAXZSLQRTYCPJ-XNTDXEJSSA-N 361.401 4.260 50 40 FIGB O=C(N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)Nc1ccccc1 33246673 QBSHZNNEGKAVEX-IUXPMGMMSA-N 353.165 4.057 50 40 FIGB CCc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)s1 695793 NQPWBRIZEYJHCR-LICLKQGHSA-N 351.269 4.227 50 40 FIGB CCOc1ccccc1[C@@H]1CC(=O)NC(SCc2ccccc2)=C1C#N 841905 QGJJOHMFFLQQQR-KRWDZBQOSA-N 364.470 4.357 50 40 FIGB Cc1c(/C=N/NC(=O)COc2cccc3ccccc23)c2ccccc2n1C 3035581 BTWLFPIIHMZKAX-ZVHZXABRSA-N 371.440 4.169 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Br)cc1 4456519 BXLSEGZTBBZTSB-RAXLEYEMSA-N 357.207 4.003 50 40 FIGB N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1c(Cl)cccc1Cl 20086233 NVANTOMSRRZVJW-HNNXBMFYSA-N 356.216 4.161 50 40 FIGB Cc1cc(C)cc(OCC(=O)N/N=C/C2=C(Cl)c3ccccc3CC2)c1 20345437 TWLWAQAOKWBWHF-FSJBWODESA-N 368.864 4.381 50 40 FIGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1F 35324249 FPWAWVBGNYFOMH-GOSISDBHSA-N 355.388 4.029 50 40 FIGB CN(C)c1ccc(/C=N/NC(=O)C2[C@@H]3CCC[C@@H]2C3c2ccccc2)cc1 100071800 ZKYIVSWIPHGVGC-IOEAMOFGSA-N 361.489 4.033 50 40 FIGB COc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1OC(C)C 207829163 GQZRSFDVFYKKPF-YZYPPFLQSA-N 364.445 4.267 50 40 FIGB O=C(c1ccc(Cl)c(Cl)c1)[C@@H](Br)CBr 306707046 RFIRFVSSLNNQFS-LURJTMIESA-N 360.860 4.335 50 40 FIGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Cl)cc1 1095729 WZKVRYKTUJIZAL-CYGNYLSHSA-N 351.837 4.444 50 40 FIGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)c(C)c1 4115317 NAJDSSAHZKFEET-KRWDZBQOSA-N 360.392 4.051 50 40 FIGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl 408925961 VGSZXVRTKHHZFY-YRNVUSSQSA-N 359.744 4.241 50 40 FIGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cccc(O)c2)c1C 408968757 YRRADVHNGRUEIE-UCQKPKSFSA-N 361.445 4.126 50 40 FIGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(N2CCCCC2)o1 408997662 SHGNAJBFVZZGPJ-YIRPMMGJSA-N 371.506 4.042 50 40 FIGB N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 5665712 DTURWNBGAANTOO-XNTDXEJSSA-N 353.230 4.244 50 40 FIGB Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)(CCl)CC1 34962097 FQYHAAZWAYLVAQ-UHFFFAOYSA-N 361.922 4.150 50 40 FIGB in-vitro Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)c1 409240416 PNQONJHFMPKGNZ-FXBPSFAMSA-N 369.468 4.442 50 40 FIGB FC(F)(F)CNc1ccc(OC[C@@H](Br)C(F)(F)F)cc1 1083811744 KUTLIXLSSMTFSD-SECBINFHSA-N 366.099 4.365 50 40 FIGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 5003335 BVALEHCYJBSZTG-JCMHNJIXSA-N 359.385 4.416 50 40 FIGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 13984531 DYWQLRZEDHLPMY-LPYMAVHISA-N 351.450 4.168 50 40 FIGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSc1nc(C)cc(C)n1 16283784 MLLQFOGPPIDLTE-XQNSMLJCSA-N 370.522 4.046 50 40 FIGB Cc1ccc(C(C)(C)C)c(OCC(=O)NN=Cc2ccc(Cl)cc2)c1 23397284 XKMCCBJMFIQUCE-UHFFFAOYSA-N 358.869 4.475 50 40 FIGB C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59383023 HCNNAIYUIUXAJP-CIAFOILYSA-N 374.893 4.288 50 40 FIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 59417852 CLKLOZPYWIUKDF-CNHKJKLMSA-N 372.595 4.319 50 40 FIGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408804379 FDLTWJAMPNWIOG-GZTJUZNOSA-N 350.418 4.256 50 40 FIGB CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Br)c1C 409002659 VZFFQRDBAQNRFI-GDNBJRDFSA-N 373.250 4.327 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C#N)o2)cc1 409006465 JLMAILCMCNWDDA-FOWTUZBSSA-N 369.380 4.373 50 40 FIGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1O 6844694 LIEJYZQNYBIFEG-YVLHZVERSA-N 350.374 4.492 50 40 FIGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1O 41108890 WJUDABQFJXXUEA-XYOKQWHBSA-N 351.387 4.206 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 58927309 GUSTXBSFJADJJC-OEAKJJBVSA-N 361.445 4.175 50 40 FIGB O=C(CCCC[C@H]1CCSS1)Nc1ccc(N2CCOCC2)cc1 72777131 YWVHWTWEHYLIGT-KRWDZBQOSA-N 366.552 4.176 50 40 FIGB biogenic CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(C)c2)o1 252508272 XIYBPALDTYJTFL-LCYFTJDESA-N 360.207 4.488 50 40 FIGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1 409388733 WLULRAILEWQTKG-BKUYFWCQSA-N 371.440 4.361 50 40 FIGB CC/C(=N\NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccccc1 5727608 NTLFBRUFZPZMTA-XTQSDGFTSA-N 360.461 4.092 50 40 FIGB O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1ccc2ccccc2c1 17073917 FLOSKTWJGJZWAF-ZMOGYAJESA-N 358.376 4.133 50 40 FIGB CCCCOC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(=O)OCC)o2)c1 59398953 WQVDBXAFARPZKA-GHRIWEEISA-N 367.401 4.374 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)o1 408741633 RGAIRHRDFLHQCD-SRZZPIQSSA-N 355.825 4.413 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(-c2ccccc2)n1-c1ccccc1 408791383 WWSIXTXQPWOSPW-HKWRFOASSA-N 355.441 4.448 50 40 FIGB O=C(N/N=C/c1ccncc1)c1cc(-c2ccccc2)nc2ccccc12 1473147 MIKIRNAFHHRGEI-BUVRLJJBSA-N 352.397 4.061 50 40 FIGB CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)o1 1510246 SPRWHXPSPHUBHL-ACCUITESSA-N 373.250 4.484 50 40 FIGB BrC[C@H](Br)[C@@H](Br)c1ccccc1 1675759 WTSKOLDTABPEPX-IUCAKERBSA-N 356.883 4.281 50 40 FIGB C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCC 9263408 ZPIXBNCOAMEYRZ-ATVHPVEESA-N 357.413 4.346 50 40 FIGB CC(C)[C@H](Br)C(=O)Nc1nc2c(Cl)cc(F)cc2s1 20133364 XVIOLWTZBKGFEM-VIFPVBQESA-N 365.655 4.447 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@H]1O[C@H]2[C@@H](Br)[C@H]1Br 100645212 USULQEPPCHUSBL-SGIHWFKDSA-N 371.978 4.358 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1cccc2ccccc12 5658802 SUVNOFVDLHEUJS-MFKUBSTISA-N 368.440 4.406 50 40 FIGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12 6763012 WLXTUGDWSJKTBA-HADWXUJASA-N 350.443 4.176 50 40 FIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(Cl)cc2Cl)c1C 30838732 JPGBRNGGRQPUPR-UKWGHVSLSA-N 351.233 4.139 50 40 FIGB O=C(Cl)[C@H]1CC(=O)N(c2cccc(-c3nc4ccccc4s3)c2)C1 45958780 LKAKGFVWAXLCHZ-LBPRGKRZSA-N 356.834 4.082 50 40 FIGB Cc1nn(Cc2ccccc2)c(C)c1/C=C(\C#N)c1nc2ccccc2[nH]1 58601576 HQIYJDHLZRYSLV-LDADJPATSA-N 353.429 4.489 50 40 FIGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cccc2ccccc12 59459675 VXQUJPIEZUPAFV-SSDVNMTOSA-N 362.820 4.213 50 40 FIGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2)o1 408591605 VBLDXYYPIVLKOI-OEAKJJBVSA-N 370.412 4.205 50 40 FIGB COc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(C)cc2)c1 409368614 DZOJJQQVQBSBQQ-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7384666 GFIQUZJSGLGVPF-HZHRSRAPSA-N 365.477 4.086 50 40 FIGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1c[nH]c2ccccc12 7649720 ZYUOFEPXJYEVRP-BGHCKBSUSA-N 357.413 4.239 50 40 FIGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(OC)c1OC 16195156 GULOANVCIIOIBH-JYRVWZFOSA-N 352.415 4.386 50 40 FIGB O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccs1 5272682 OSWLRLUOVUPYBA-KRWDZBQOSA-N 368.483 4.043 50 40 FIGB Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)o1 10167777 UHFDTBCLLDFYFW-SSDVNMTOSA-N 366.465 4.035 50 40 FIGB O=C(Nc1nc(-c2ccc(F)cc2)ns1)[C@@H](Cl)c1ccc(F)cc1 72427774 RCJMMVHZYCMZKL-ZDUSSCGKSA-N 365.792 4.402 50 40 FIGB O=C(Cc1cn2ccsc2n1)N/N=C1/CCCC[C@H]1C1CCCCC1 103459791 CSSSZCMCQOSXKJ-SEPJKUCUSA-N 358.511 4.181 50 40 FIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(F)c3)cc21 208201155 GXNAVPFAHFDVJV-JMKVTYIUSA-N 353.441 4.312 50 40 FIGB C[C@]12CC[C@](O)(C#N)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 253617426 LLOYXBYLIJXIJG-UMKHLJCSSA-N 359.510 4.027 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1O 408768526 XQXQRNTUZPKTRX-PDGQHHTCSA-N 362.429 4.454 50 40 FIGB O=C(N/N=C/c1ccccc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 5680823 QCDJSRDDHVWJKN-JJIBRWJFSA-N 366.424 4.303 50 40 FIGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cc2c(s1)CCCC2 14238628 DYGJZHMPJZPMBR-UHFFFAOYSA-N 369.273 4.009 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Cl)c2)cc1 59473200 XSENXMRLUBMDFX-DEDYPNTBSA-N 362.882 4.122 50 40 FIGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(Br)cs2)cc1 96669465 TWPQRPUPOGSZQP-AUWJEWJLSA-N 368.277 4.157 50 40 FIGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1O 409015866 CCPZSFBYFQCSOL-HAHDFKILSA-N 362.429 4.488 50 40 FIGB CCOc1cc(C)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1C(C)C 409251038 SRYKPDHXKZTFJL-QRVIBDJDSA-N 356.441 4.349 50 40 FIGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)N1CCCC1 409370667 DAZKDMGKFLIOAD-QGOAFFKASA-N 373.431 4.358 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(OCC)c1 408746182 YAVXJSUXAKWUIR-ATVHPVEESA-N 350.418 4.338 50 40 FIGB CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(OCC)c1 409053723 OSTMYSUFJIYCKP-CIAFOILYSA-N 360.841 4.210 50 40 FIGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1 409313402 BUCOTADFJKFFGS-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 705746 NCXUWGUBRNNHRP-GOSISDBHSA-N 365.433 4.192 50 40 FIGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OC(C)C)cc1 10475923 KRMNFFOHIHAXOW-LPYMAVHISA-N 374.868 4.219 50 40 FIGB C=CCn1c(-c2ccc(C)cc2)cs/c1=N\NC(=O)Nc1ccccc1 16739917 GKVQPULIJSRZGF-ATJXCDBQSA-N 364.474 4.348 50 40 FIGB CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N1 20028754 MKDCKBUHUFXJTA-MRXNPFEDSA-N 362.882 4.351 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 59445001 WAJDKRGGQWCZCS-ZVHZXABRSA-N 362.404 4.477 50 40 FIGB C[C@H](COC(=O)Oc1ccc([N+](=O)[O-])cc1)SSc1ccccn1 218001362 AFINOVIFQZMCHN-LLVKDONJSA-N 366.420 4.334 50 40 FIGB CC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1ccc(C)cc1C 4600092 DSSZHBZNDJAVHT-LPYMAVHISA-N 374.868 4.275 50 40 FIGB CC(C)(C)c1ccc(OCC(=O)N/N=C2/CCCc3ccccc32)cc1 34106845 JTHYLCIQCLOZOZ-ATJXCDBQSA-N 350.462 4.220 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(OC)c1O 108791922 OAFUTJDITWBJDP-RQZCQDPDSA-N 374.396 4.108 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl 408857812 PBLQYTLXWXPOQY-MTJSOVHGSA-N 362.260 4.358 50 40 FIGB O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccncc1 408883264 OXJGOWJENKSHST-QRVIBDJDSA-N 365.820 4.078 50 40 FIGB CC1(C)[C@H]2CC[C@H]1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)C2 408954093 MZWWFQGKMRVHBT-JCXWDSGXSA-N 355.265 4.301 50 40 FIGB COC(=O)N/N=C\c1oc(-c2ccccc2)c(-c2ccccc2)c1[N+](=O)[O-] 5809899 PXLDZXDCESCFPH-NDENLUEZSA-N 365.345 4.212 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCC2)o1)c1cc2cc(Cl)ccc2o1 15228938 ZYDPINKYSDPSLO-JAIQZWGSSA-N 357.797 4.043 50 40 FIGB CCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21 197616247 RPXRJEVXIBWGDL-CZIZESTLSA-N 359.429 4.058 50 40 FIGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1CC=C 408820609 XKDPVSVNAXGDID-JXAWBTAJSA-N 360.388 4.112 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c(F)c1 408963729 ANCCBHRUMVKBKL-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB CCN(CC)c1cccc(P(C)(=O)c2cccc(N(CC)CC)c2)c1 1776010780 IOSCJRUCVUOUGF-UHFFFAOYSA-N 358.466 4.323 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 5370343 RCTGVSVAYJRLCD-KEBDBYFISA-N 367.232 4.165 50 40 FIGB Cc1cccc(C)c1NC(=O)COC(=O)/C(C#N)=C\c1ccc(Cl)cc1 6412894 MZHITFUQVNTHKG-YBEGLDIGSA-N 368.820 4.046 50 40 FIGB COc1ccccc1/C=C(\C=O)SC(=O)NCNc1cccc(C)c1 6967693 GWXZAJLNSAEUJM-GZTJUZNOSA-N 356.447 4.056 50 40 FIGB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CCl 12504806 NADKLCXJMMWRRK-CPUCHLNUSA-N 351.874 4.482 50 40 FIGB in-vitro N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)NC1CCCCC1 13598044 SLAWFYLBTYPPFT-VBKFSLOCSA-N 364.401 4.001 50 40 FIGB CC(C)OC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(O)CCCC2=N1 102607348 YLLZEJAFAUOYFG-QGZVFWFLSA-N 372.446 4.234 50 40 FIGB CCC(C)=NO[Si](ON=C(C)CC)(ON=C(C)CC)c1ccccc1 256206898 XKBQRJBETDMEFN-UHFFFAOYSA-N 363.534 4.240 50 40 FIGB CCOc1ccccc1[C@@H](O)P(=O)(c1ccccc1)c1ccccc1 2163371 WRYDRCKHDBDXCI-NRFANRHFSA-N 352.370 4.090 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc(C)c1Cl 3032504 ULONCYARUOIXSE-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB N#C/C(=C\c1ccc(OCCC(=O)O)cc1)c1nc2ccccc2s1 44013844 NAJKFDWHUTZBOL-SDNWHVSQSA-N 350.399 4.214 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 408792983 MYUUYWWCIFDNDI-NTCAYCPXSA-N 372.380 4.499 50 40 FIGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1O 409184520 YTHUBOPYRXZBOC-WSDLNYQXSA-N 368.820 4.361 50 40 FIGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1O 409255709 MTKXUPXXDJQMAO-WSDLNYQXSA-N 374.868 4.045 50 40 FIGB O=C(NNc1c(Cl)cccc1Cl)c1cc(Cl)nc(Cl)c1 2555936 TUYFIOUGZIAYMZ-UHFFFAOYSA-N 351.020 4.452 50 40 FIGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccccc1Cl 3101162 VABWMZAMSPOFAA-WSDLNYQXSA-N 358.869 4.475 50 40 FIGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)cc2)c1 4083531 VBBRWHPZHVUFIL-NBVRZTHBSA-N 361.445 4.231 50 40 FIGB FC(F)(F)c1ccc2c(c1)[C@@H]1O[C@H]2[C@@H](Br)[C@H]1Br 96171588 USULQEPPCHUSBL-JLIMGVALSA-N 371.978 4.358 50 40 FIGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 409009669 BECCDPVOXBVQLU-AWQFTUOYSA-N 351.233 4.351 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC 7159300 IMWSOCDSZHURPX-SFQUDFHCSA-N 358.397 4.403 50 40 FIGB CS(=O)(=O)c1ccc(-c2csc(C(C#N)=C3CCCCC3)n2)cc1 14161624 YKAVOIUHJAVAGV-UHFFFAOYSA-N 358.488 4.455 50 40 FIGB CCCC(=O)NC(=O)/C(C#N)=C\Nc1ccc2c(c1)c1ccccc1n2CC 17118141 OCFXQUPYJRFPKP-PFONDFGASA-N 374.444 4.077 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 20248442 XAUYIIZLJNCBKZ-HINJULBWSA-N 369.534 4.305 50 40 FIGB Cc1c(/C=N/NC(=O)c2ccccc2Cl)c(Cl)nn1-c1ccccc1 408896259 XDAYIOYBLCMPEJ-SRZZPIQSSA-N 373.243 4.251 50 40 FIGB CC[C@H](C)n1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc21 409244517 DWFFGCKCKQBFPI-VRHSPDTKSA-N 351.425 4.444 50 40 FIGB CC[C@H](Nc1ccccc1OC)C(=O)N/N=C/c1cccc2ccccc12 695806 PSMXHHBSLGHMRV-CKMDTHJYSA-N 361.445 4.189 50 40 FIGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1 2770506 DFITZJUOKVGLJB-PUFAJPFRSA-N 355.825 4.047 50 40 FIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(C(C)(C)C)n[nH]1 5489350 LXHGLBNHZBMFEI-LPYMAVHISA-N 364.449 4.023 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2)cc1 5917286 WZBKWJKUYQYCSJ-RAXLEYEMSA-N 357.207 4.003 50 40 FIGB Clc1cc2c(cc1Cl)N[C@H](Br)[C@H](Br)N2 97971794 RQOASEPGDQTBCL-OCAPTIKFSA-N 360.864 4.273 50 40 FIGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3F)cc21 208439413 ABKZEPURYCUFKJ-YDZHTSKRSA-N 351.425 4.221 50 40 FIGB CCOc1ccccc1[C@H]1CC(=O)NC(SCc2ccccc2)=C1C#N 841904 QGJJOHMFFLQQQR-QGZVFWFLSA-N 364.470 4.357 50 40 FIGB CC(C)NC(=O)/C(C#N)=C/c1cccc(NC(=O)c2ccccc2Cl)c1 5131311 BSRGXLACZAYIMD-XNTDXEJSSA-N 367.836 4.024 50 40 FIGB Cc1nn(-c2ccccc2)c2sc(C(=O)NN(C)c3ccccc3)cc12 8300456 WVUBZIGBUSIJBP-UHFFFAOYSA-N 362.458 4.177 50 40 FIGB Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc4c(c3)OCO4)sc2c1 33775890 PHTJTTHEMJYEHV-ZBKNUEDVSA-N 372.833 4.356 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OC(C)C 54841987 OQZDKCMVLYGAHB-ZSOIEALJSA-N 362.857 4.102 50 40 FIGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)cc1 409368773 LMOQPVLNEFYRQV-AFUMVMLFSA-N 368.440 4.157 50 40 FIGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nn1c(C)ccc1C 409386524 MBLRVACMMOCSOD-QGOAFFKASA-N 359.429 4.334 50 40 FIGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O 861475 KETZIUVESPIQRJ-UFWORHAWSA-N 357.624 4.045 50 40 FIGB O=C(N/N=C/c1cccc(Br)c1)c1ccccc1-n1cccc1 1398759 UZACUIRIYIXKGF-DEDYPNTBSA-N 368.234 4.004 50 40 FIGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 4470954 DIHKROJGLYOMJM-WDZFZDKYSA-N 361.184 4.268 50 40 FIGB Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=O)c2ccccc2)c1[N+](=O)[O-] 5328492 OJZVSVMKIICKBM-UHFFFAOYSA-N 358.350 4.328 50 40 FIGB COc1ccc(-c2ccc(-c3ccc(OC)cc3)c3c2C(=O)OC3=O)cc1 137837559 XJIGYVHMABFPSM-UHFFFAOYSA-N 360.365 4.348 50 40 FIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC 209993562 MZLYLMMYIDTXBP-PTNGSMBKSA-N 354.381 4.169 50 40 FIGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408723647 YWQAPRVPNHNMNR-JVIUNVGKSA-N 367.405 4.131 50 40 FIGB COc1ccc(CSCC(=O)N/N=C(\C)CCc2ccccc2)cc1 408784137 SHTCWIHMCDLGSR-LTGZKZEYSA-N 356.491 4.053 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2O)cc1 408788041 AEOCOMOODXYMMN-QGOAFFKASA-N 363.461 4.346 50 40 FIGB CCOc1cc(C)c(/C=N/NC(=O)c2ccccc2OC)cc1C(C)C 408844190 CLKULVPIYZEEGZ-LPYMAVHISA-N 354.450 4.290 50 40 FIGB COC(=O)N/N=C/c1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1 4525988 YLIFPIUTSSKLSH-PXLXIMEGSA-N 370.449 4.132 50 40 FIGB CC(C)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1 4714683 MMJWUFZCOAKWCR-WMRWHDLOSA-N 356.491 4.352 50 40 FIGB Cc1cccc(OCC(=O)N/N=C\c2c(Cl)cccc2Cl)c1C 9195926 ZIPKZAGFVZIKRZ-UKWGHVSLSA-N 351.233 4.139 50 40 FIGB Cc1ccc2nc(/C(C#N)=C\c3ccc(N4CCOCC4)c(C)c3)[nH]c2c1 50704678 YKPBFNVEJJRDIR-AQTBWJFISA-N 358.445 4.081 50 40 FIGB C/C(=N\NC(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 59366756 KCDWRSPPUTUSGS-LFVJCYFKSA-N 357.413 4.093 50 40 FIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)CCc3ccccc3)cc21 208207086 PNHRHFBDRBFVCY-GIKSKMNSSA-N 363.505 4.492 50 40 FIGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCC 408818670 QAGTYAIRCJHOGL-LGMDPLHJSA-N 350.393 4.499 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OC(C)C)c1 408845435 GWBQQIKPAKICPW-XNTDXEJSSA-N 354.381 4.167 50 40 FIGB CC(C)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409238257 WOEINBGIDHPHKZ-QNGOZBTKSA-N 362.473 4.377 50 40 FIGB COc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc(O)cc3)[nH]c2c1 409392813 SECYDPYTSOBNPM-KAMYIIQDSA-N 356.385 4.132 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OC 6614619 OCYGMUBFWAIRSY-GXDHUFHOSA-N 356.809 4.293 50 40 FIGB Cc1c(/C=N\NC(=O)c2ccc(Br)cc2)c2ccccc2n1C 12372365 CXAASMBWKZNJOP-JAIQZWGSSA-N 370.250 4.013 50 40 FIGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 60809618 PAPZNGJICBNYTG-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1 408748872 IPALUYPZOHJKQQ-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1 408785683 YEMBKRLXDVBFQS-KGENOOAVSA-N 355.507 4.084 50 40 FIGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc2c1CCCC2 947911 OXOMXTXWZBVSRG-PKNBQFBNSA-N 372.471 4.021 50 40 FIGB C[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 2315555 YLHHOQSOZYGGIZ-NXEZZACHSA-N 369.328 4.493 50 40 FIGB N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)Nc1ccc(Cl)cc1 3239650 BYVQRGWIOAFQMM-PKNBQFBNSA-N 357.200 4.187 50 40 FIGB Cc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1 4151262 LFMAAMGOJLKACW-UHFFFAOYSA-N 357.413 4.219 50 40 FIGB Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccccc4)CC(=O)N3C2)c1 6746307 AOHDNAYNTGHYHB-SFHVURJKSA-N 361.470 4.215 50 40 FIGB O=C1OC(=O)[C@H]2[C@@H]1CC=C[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95676352 VQSAROVLKPMLEQ-SDDRHHMPSA-N 364.241 4.084 50 40 FIGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1 97990697 TUWSBAQTYSYVQO-JXAWBTAJSA-N 371.440 4.103 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccnc3)cc2[C@@H](C)CC1(C)C 223573878 MTALVOVDLAAFKS-GCMSVZMUSA-N 364.493 4.266 50 40 FIGB N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccccc1Cl 408793470 PCELNQXRBHWLRB-VQHVLOKHSA-N 351.587 4.241 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408812262 LLAQHGQSLLXMAN-RVDMUPIBSA-N 368.820 4.459 50 40 FIGB Cc1ccc(SCCC(=O)N/N=C/c2c(F)cccc2Cl)cc1 409117656 PVBFCJASYKHGAI-RGVLZGJSSA-N 350.846 4.420 50 40 FIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)ccc1O 3230004 UQZDKOZEOZPUAE-QGZVFWFLSA-N 364.426 4.224 50 40 FIGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)c(O)c1 4933066 HJVVQGJBXCHCIH-FOWTUZBSSA-N 373.412 4.275 50 40 FIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(Cl)cccc1Cl 6888646 MXNQJWZCJOMMQS-DHZHZOJOSA-N 362.172 4.447 50 40 FIGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccsc2)C(C#N)=C(S)N1 20828173 YWJYCBMYYDOBJT-KRWDZBQOSA-N 368.483 4.117 50 40 FIGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C\c1c[nH]c2ccccc12 54235225 AHFGAIDFADSDCD-MYSNOUKZSA-N 355.825 4.047 50 40 FIGB N#Cc1ccc(Br)c(C(Br)Br)c1 59353143 DDQLVABPXBLYOY-UHFFFAOYSA-N 353.839 4.109 50 40 FIGB O=C1OC(=O)[C@H]2[C@@H]1CC=C[C@@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95676353 VQSAROVLKPMLEQ-GRYCIOLGSA-N 364.241 4.084 50 40 FIGB Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(F)s3)o2)c(C)c1 252509174 YEFUDBWOXWZBIT-UFFVCSGVSA-N 372.421 4.440 50 40 FIGB C/C(=N\NC(=O)Cc1cc(C)ccc1C)c1ccc(Br)cc1 409362923 KLIWDMQZJNBJNI-XSFVSMFZSA-N 359.267 4.149 50 40 FIGB O=C(NNc1nc2c(Cl)cccc2s1)c1nc2ccccc2s1 4121361 FRRJPUGRQMEKLU-UHFFFAOYSA-N 360.851 4.316 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 5131234 JDCIFRLVSQAOTI-JLHYYAGUSA-N 357.207 4.003 50 40 FIGB N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1ccccc1F 40139823 UGZVAAIUGOKQQP-NTEUORMPSA-N 351.768 4.455 50 40 FIGB CCCN1CCC(=NNC(=O)c2sc3cc(C)ccc3c2Cl)CC1 55075648 UYVSMOHQTOWPJB-UHFFFAOYSA-N 363.914 4.455 50 40 FIGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cccc(Cl)c1 409245418 SMJMIPJPDLNGKF-HYARGMPZSA-N 371.868 4.103 50 40 FIGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc[nH]2)cc1 2327263 WNUCJHYMWHBUGP-YDZHTSKRSA-N 355.482 4.258 50 40 FIGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 4150195 MWTDEAWHGNNZAO-INIZCTEOSA-N 366.465 4.104 50 40 FIGB Cc1ccc(C)c(NC(=S)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 8684974 DQBHDBKKFYMJPE-LLVKDONJSA-N 373.547 4.121 50 40 FIGB CC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409013725 NTWMIJVAFSOVOI-ZVBGSRNCSA-N 360.244 4.466 50 40 FIGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc3ccccc23)[C@@H]2CCCC=C12 652073 WDMWIVMWBDGYFT-TZIWHRDSSA-N 350.425 4.433 50 40 FIGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 670177 YBZGXBOKXGZZLO-KEBDBYFISA-N 364.232 4.106 50 40 FIGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccccc1 1104607 YOCTVAVBZJDXRX-HYARGMPZSA-N 368.436 4.489 50 40 FIGB CCOC(=O)/C(C#N)=C/C=C(\Sc1nccn1C)c1ccc(Cl)cc1 16682018 JZASFHOBTVXTGS-SBEXOSLSSA-N 373.865 4.220 50 40 FIGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1OC(C)C 213091034 XTTWMYZLUWMEBG-ATVHPVEESA-N 350.418 4.337 50 40 FIGB Cn1c(SCCCCl)nnc1-c1ccc(OC(F)(F)F)cc1 228920366 ARPCLIYDHVMNOC-UHFFFAOYSA-N 351.781 4.102 50 40 FIGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 408726881 VNPIGBIGCJHQJH-VDQRSBIWSA-N 367.405 4.131 50 40 FIGB COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C(C)C 408798200 VBOJHMLDHZHXBT-MHWRWJLKSA-N 350.418 4.378 50 40 FIGB O=C(N/N=C/c1ccc(Br)o1)c1ccc(Cl)cc1Cl 409000651 URJFUAVIEFGCQD-OMCISZLKSA-N 362.010 4.113 50 40 FIGB COc1ccc(CCCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 862396 RPYRJFGHYONKDF-CIAFOILYSA-N 365.260 4.475 50 40 FIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccn2)c1C 4682581 DJGLOLRROYAHJY-UYRXBGFRSA-N 356.429 4.343 50 40 FIGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccccc1F 408724901 CBDBSRLCQCEOAG-WSDLNYQXSA-N 352.434 4.362 50 40 FIGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1 408885100 XKKOFHUOQRVPCC-NTUHNPAUSA-N 357.207 4.003 50 40 FIGB Cc1ccc(OCCSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)cc1 409131467 JNQWJDUDJKCXHC-OAHLLOKOSA-N 370.499 4.207 50 40 FIGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)N1CCCC1 409373457 WGWDGJLIUUPSSL-QGOAFFKASA-N 366.848 4.448 50 40 FIGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 6813161 YZKZSARHVNGWHD-SFHVURJKSA-N 374.469 4.229 50 40 FIGB C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccnc1 13688633 CVTKKHAMJSDSRR-QQXSKIMKSA-N 366.424 4.451 50 40 FIGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)c1cccc(C(F)(F)F)c1 107837706 HXSJHMVAGRDCCY-ZSOIEALJSA-N 369.346 4.210 50 40 FIGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3F)cc21 208201070 IFISGMPAXGIBGF-JMKVTYIUSA-N 353.441 4.312 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc2ccccc2o1 408954523 XOQASFIJWUTIAY-IWIPYMOSSA-N 368.392 4.362 50 40 FIGB Cc1ccc2cc(/C=N/NC(=O)CCc3ccccc3)c(Cl)nc2c1 409116064 ODWCXPKRXWZDFA-LPYMAVHISA-N 351.837 4.280 50 40 FIGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2c(ccc3ccccc32)o1 694359 PJNASYAYTADJMH-CIAFOILYSA-N 359.341 4.258 50 40 FIGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H](CC1CCCCC1)n1cccc1 1393030 ZTILCTJOWNGSAW-QTKYHAHDSA-N 368.437 4.058 50 40 FIGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 15219877 LTPCFFDRAKVRAX-ATVHPVEESA-N 350.418 4.338 50 40 FIGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 20248412 SBBBWARXNDOZPO-XTTRTJGBSA-N 369.273 4.330 50 40 FIGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OC(C)C)cc1 408864107 SXFSFVRZRNTGMN-CIAFOILYSA-N 356.491 4.166 50 40 FIGB CN1c2ccccc2Sc2cc(/C=N/NC(=O)c3ccncc3)ccc21 409143735 HDBVFCQREBQCTI-LPYMAVHISA-N 360.442 4.078 50 40 FIGB Cc1ccc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)c(Cl)nc2c1 870394 WIPFWLFNJNJUPS-QGZVFWFLSA-N 365.820 4.011 50 40 FIGB COc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1Cl 1434479 JATWUUDXIVCRIR-FSJBWODESA-N 367.836 4.064 50 40 FIGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCC(C)CC1 2535318 ODNBFBZZMZGJNZ-GPKGBNBSSA-N 358.869 4.426 50 40 FIGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(N2CCCC2)cc1 7386461 NBHPHNYWTWJNJH-YDZHTSKRSA-N 361.367 4.070 50 40 FIGB COc1ccc2[nH]c(/C(C#N)=C/c3cc(Br)cs3)nc2c1 9263656 KIZXLDQZYADJDB-RUDMXATFSA-N 360.236 4.460 50 40 FIGB N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 31830135 CARFWDLXFYIPIJ-PTNGSMBKSA-N 359.341 4.400 50 40 FIGB N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1F 40139574 RJLIHSODOGVHQR-NTEUORMPSA-N 366.783 4.210 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1 59473553 CJJWZDLRWJZJQQ-FYJGNVAPSA-N 356.491 4.167 50 40 FIGB CCn1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 409065091 HHGLELYSIALUDQ-OEAKJJBVSA-N 362.477 4.296 50 40 FIGB O=C(NN=C1C2CC3CC(C2)CC1C3)Oc1ccc(Br)cc1 1087632 LGGDYLULHZZUBS-UHFFFAOYSA-N 363.255 4.350 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Cl)cc1 20249056 QCPCDNVEVHXRNX-DEDYPNTBSA-N 362.882 4.122 50 40 FIGB Cc1cc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c(C)o1 36892735 WENGFCHQAKJRHS-UHFFFAOYSA-N 374.849 4.353 50 40 FIGB COc1ccc2cc(/C=N/NC(=O)c3cccc(Cl)c3)c(Cl)nc2c1 408833826 ZFJCROJQZXLONO-UFFVCSGVSA-N 374.227 4.314 50 40 FIGB O=C(N/N=C\c1ccccc1OCc1cccc(Cl)c1)c1ccncc1 408870057 VARFJOLPDCXUIC-QRVIBDJDSA-N 365.820 4.078 50 40 FIGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC 409195060 SRKGPHVSPUOKKS-ZROIWOOFSA-N 362.857 4.103 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl 409255876 ZYQBLAIWACKLKH-ATVHPVEESA-N 354.837 4.005 50 40 FIGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NC1CCCCC1 4893943 DOYGOQAWFDJPRF-QINSGFPZSA-N 365.389 4.211 50 40 FIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13387953 WCLYXECIGRWCRR-YRNVUSSQSA-N 362.172 4.447 50 40 FIGB Cc1ccc(-c2nc(C)sc2CC(=O)NNc2ccc(F)cc2)cc1 45970177 BRARFZBYWFUTSM-UHFFFAOYSA-N 355.438 4.252 50 40 FIGB CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccco3)cs2)cc1 101179546 VKAIWISWCGQDNH-JLHYYAGUSA-N 350.403 4.338 50 40 FIGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 408963081 MINUDRSTFIIKBB-NUGSKGIGSA-N 360.257 4.488 50 40 FIGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 6427319 DDXVKAQOYVLGPR-CPNJWEJPSA-N 374.440 4.260 50 40 FIGB CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408801681 WXPMRRAKBZNZQK-NTEUORMPSA-N 356.809 4.378 50 40 FIGB CCc1cccc2c(C=C(C#N)C#N)cn(CC(=O)N3CCCCCC3)c12 798079 IAXVDXYESYNAMS-UHFFFAOYSA-N 360.461 4.037 50 40 FIGB N#CSc1ccc(NC(=O)CC2(C(=O)O)CCCCC2)c(Cl)c1 13467633 NODXAXSDCKRHDQ-UHFFFAOYSA-N 352.843 4.277 50 40 FIGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](O)(C#N)[C@@]4(C)CC[C@@H]32)C1 70697066 MUZZVNREAYPPFE-DHGBTQKMSA-N 357.494 4.136 50 40 FIGB biogenic Cc1cc2c(cc1/C=N\NC(=O)c1ccccc1O)[C@H](C)CC(C)(C)N2C 208213995 GUUDYINHRIADLW-KSJDGYIASA-N 365.477 4.187 50 40 FIGB Cn1c(SCCCCl)nnc1-c1ccc(F)cc1C(F)(F)F 228978919 VSMBMPCSFYNVOF-UHFFFAOYSA-N 353.772 4.361 50 40 FIGB C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccccc1F)c1ccccc1 409251243 UGCQFIKKDNWTMS-IYWFSZBXSA-N 359.404 4.401 50 40 FIGB N#CC(C#N)=Cc1ccc(C#Cc2cnc3ccc(C(F)(F)F)cn23)cc1 675038106 FIUXQZBUXLBBSY-UHFFFAOYSA-N 362.314 4.183 50 40 FIGB O=C(N/N=C/c1cccn1-c1ccccc1)c1ccccc1Br 1096962 JGXLDFPQEWVKMH-DEDYPNTBSA-N 368.234 4.004 50 40 FIGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(C)c3)c2C)cc1 6967171 IJRYSIXNQCGCAP-UCQKPKSFSA-N 361.445 4.175 50 40 FIGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3/C[C@H]4CC=C[C@@H]34)cc12 36262046 NHRLWHXYDAXSMV-XTZAVPODSA-N 362.458 4.077 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 408735059 NHTWTFHQHQUSBW-NTUHNPAUSA-N 371.780 4.111 50 40 FIGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)n1 409377899 KFAJVBUYHSYRKU-UDWIEESQSA-N 357.413 4.326 50 40 FIGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl 778220 IJEVYUQJKMVGCW-UFWORHAWSA-N 357.624 4.176 50 40 FIGB O=C(Cl)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 2559981 DKNLJWSDGPXALN-GOSISDBHSA-N 355.821 4.165 50 40 FIGB N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccccc1F 6209418 KEPVEDPGSRPIRM-VQHVLOKHSA-N 351.200 4.195 50 40 FIGB CC(/C=C/c1ccccc1)=N\NC(=O)CCC(=O)Nc1ccc(C)cc1C 12447103 YKUGNMCBECCJFP-OYWGOHSVSA-N 363.461 4.228 50 40 FIGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)cc1 408754564 KVQXVJWZNFPKKT-LFVJCYFKSA-N 359.473 4.349 50 40 FIGB CC(/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12)=C\c1ccccc1 408858803 SRBGCVQQLWWQOQ-PDNDKIPHSA-N 355.441 4.380 50 40 FIGB N#C/C(=C/c1ccc(O)c(I)c1)c1cccc(F)c1 409394237 XLMKADKBYQWMIK-SDQBBNPISA-N 365.145 4.200 50 40 FIGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)c1cccc(Cl)c1 3245078 GPNNPXGIRBIKGF-RIYZIHGNSA-N 360.196 4.326 50 40 FIGB O=C(CSCc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 20248941 DPVYPJKCIBZWJX-DJKKODMXSA-N 353.274 4.377 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408807414 CUFBRWFUHUSYAP-SAPNQHFASA-N 368.392 4.103 50 40 FIGB CNC(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409209359 DWHULDLVURNWBI-MOSHPQCFSA-N 365.436 4.496 50 40 FIGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(F)cccc2Cl)c1 862415 OPGMPSNIZDBYLU-ZVBGSRNCSA-N 364.873 4.479 50 40 FIGB CCCCCCSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 2295016 WFEOHTSSLGOOKV-OAHLLOKOSA-N 359.451 4.247 50 40 FIGB COC(=O)N/N=C/c1cccc(OCCSc2ccc(Cl)cc2)c1 2302279 NTYFSSHHVSXJGP-XDHOZWIPSA-N 364.854 4.201 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C)c1C 2708563 OVFFDDCAZMJQBK-NTEUORMPSA-N 372.421 4.226 50 40 FIGB CCCCOC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 3159538 MLOMJMXDYFPLQE-NWDGAFQWSA-N 364.077 4.229 50 40 FIGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1OC 3289543 YUQNKDFEJKLCAN-BOPFTXTBSA-N 350.418 4.373 50 40 FIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 408726879 VNPIGBIGCJHQJH-TXBDJKAOSA-N 367.405 4.131 50 40 FIGB CC(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1 409009806 IGFJBYNLSVKIMO-AWQFTUOYSA-N 351.233 4.351 50 40 FIGB Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409227635 RBXVFGAJDGDRDY-QRVIBDJDSA-N 369.827 4.271 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1ccccc1 2632653 OBMMOHDQYSAMEB-NBVRZTHBSA-N 360.388 4.352 50 40 FIGB C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1cccc(O)c1 4148585 OOQLKPRVQXMSHD-JLPGSUDCSA-N 371.440 4.431 50 40 FIGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccccc1 6714794 UBHBCSFTZZBZHG-LFVJCYFKSA-N 369.424 4.403 50 40 FIGB Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1C 8182751 SNOVAFVHHKQYBU-AWQFTUOYSA-N 351.233 4.139 50 40 FIGB O=[N+]([O-])C[C@@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 33354088 RSCBLFUXRAXJQA-FQEVSTJZSA-N 351.342 4.019 50 40 FIGB O=C(CCl)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 44831479 XROIWCQBBOYGCX-UHFFFAOYSA-N 356.731 4.135 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)cc1 408789649 QPENCOCZPVXAOV-LFIBNONCSA-N 365.820 4.350 50 40 FIGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 409207705 XUCVGWMKPRGVSK-NJRDNMGOSA-N 369.424 4.023 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2c[nH]c3ccccc23)on1 1501125 RPAUEVOUTJOBEE-LSHDLFTRSA-N 364.792 4.240 50 40 FIGB O=C(NCCSSc1ccccc1C(=O)O)OCc1ccccc1 1626956 OQQHRSGIKQZZLE-UHFFFAOYSA-N 363.460 4.052 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccccc1 4723209 FTNFLJUDDDXHJX-SFQUDFHCSA-N 373.368 4.078 50 40 FIGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1O 9190533 GYLGJGHMJCSFAP-ZVHZXABRSA-N 369.424 4.159 50 40 FIGB COc1ccc(CSCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 20243936 FWVFFRADMADLGS-LPYMAVHISA-N 370.518 4.376 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1O 408735797 XVZMSBPYHOFWQU-RIYZIHGNSA-N 356.809 4.298 50 40 FIGB CC[C@@H](C)n1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc21 409244516 DWFFGCKCKQBFPI-KSJDGYIASA-N 351.425 4.444 50 40 FIGB O=C(N/N=C/C=C/c1ccco1)c1cc2cc(Br)ccc2o1 2274223 KMDYARDBOAICNC-BJEOCPPSSA-N 359.179 4.217 50 40 FIGB C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1cccc(N)c1 5005255 FFTPPEZZDDBOJZ-XBIXJXDHSA-N 369.468 4.115 50 40 FIGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccn1 13042903 USTMBFRYOBTGQG-RGEXLXHISA-N 355.397 4.206 50 40 FIGB O=C(NN(Cc1ccccc1)c1ccccc1)c1cc(=O)c2ccccc2o1 32256968 DOFRQWKMHLRQMI-UHFFFAOYSA-N 370.408 4.145 50 40 FIGB C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 408779091 QXNODLKLWPOGGC-KGENOOAVSA-N 353.422 4.355 50 40 FIGB Cc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C)OCO2 408818885 YRLHTSYPRIGNPD-VGOFMYFVSA-N 354.793 4.231 50 40 FIGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1 989057 UBVHWPLGYCQNHU-FQEVSTJZSA-N 356.429 4.016 50 40 FIGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(C2CC2)nc2ccccc12 2320241 RACWAZSXEDMZOO-ZMOGYAJESA-N 354.413 4.357 50 40 FIGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)O)cc1 4508764 POUPUKCNMZQMSF-KPKJPENVSA-N 361.184 4.237 50 40 FIGB CCOC(=O)c1c(C)c2ccccc2n2c(C=O)c(CCl)c(C#N)c12 48229443 UGQBXIDIPLNAAT-UHFFFAOYSA-N 354.793 4.001 50 40 FIGB O=C1OC(=O)[C@@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C=CC[C@@H]12 100038139 VQSAROVLKPMLEQ-IJLUTSLNSA-N 364.241 4.084 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 207010253 MWNOWALFXFQFTJ-ZROIWOOFSA-N 371.234 4.312 50 40 FIGB Cc1cc(NC(=O)N/N=C\c2ccccc2F)ccc1Br 408905313 XBRRKIUPROZQKA-NVMNQCDNSA-N 350.191 4.052 50 40 FIGB CC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(F)cc2s1 20132302 XYDFEGQXCRSHOY-ZCFIWIBFSA-N 351.628 4.201 50 40 FIGB O=C(c1c(Cl)cccc1Cl)[C@H](Br)CBr 306924377 JDSUVVFPKQCMLA-RXMQYKEDSA-N 360.860 4.335 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1OC 408590915 RKCKYSJNBAXNQE-HZHRSRAPSA-N 368.477 4.084 50 40 FIGB CCOc1cc(/C=N/NC(C)=O)ccc1OCc1ccc2ccccc2c1 409012808 KZDHRXSVOLAUOH-OEAKJJBVSA-N 362.429 4.288 50 40 FIGB CC(=O)Nc1ncc2ccccc2c1-c1ccc(NC(=O)CCCl)cc1 1560612 VGQWFIUAFKOGTN-UHFFFAOYSA-N 367.836 4.428 50 40 FIGB C/C(CC(C)(C)c1ccc(C)o1)=N\NC(=O)Cc1cc2ccccc2[nH]1 5025124 WOMYZOBUCIUQGU-OEAKJJBVSA-N 351.450 4.472 50 40 FIGB COC(=O)N[C@@H]1CCCCCCCCCC[C@H]1I 5049170 CMXNJHQREIHSJR-CHWSQXEVSA-N 367.271 4.429 50 40 FIGB C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Br)cc1 20194697 OEBLWNGNCDBRJN-XSFVSMFZSA-N 359.267 4.149 50 40 FIGB C/C(=N/NC(=O)CNc1ccc(F)cc1)c1ccc(Cl)cc1Cl 33720334 QUUALWAECGNNIR-FBHDLOMBSA-N 354.212 4.085 50 40 FIGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1 408799714 HUBWRBFZODXCLX-SFQUDFHCSA-N 350.418 4.337 50 40 FIGB COc1cccc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)c1OC(C)C 409012102 IUXAPQTURAYQCX-MTJSOVHGSA-N 355.438 4.255 50 40 FIGB C=CCn1c(C)c(/C=N/NC(=O)Cc2cc(C)ccc2C)c2ccccc21 409365219 QIGCBONVFFMQSE-BUVRLJJBSA-N 359.473 4.445 50 40 FIGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(C)o3)s2)cc1 5214897 WUUVJQHUQUELHH-YBEGLDIGSA-N 363.442 4.489 50 40 FIGB COc1cc(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)cc(OC)c1OC 5575190 DBQJQHILEQZKQO-ZBQKXELDSA-N 370.474 4.358 50 40 FIGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccsc4)[nH]c(=O)c23)C1 6160631 HZEAKUDALLMUBR-VPMLRQHESA-N 353.472 4.235 50 40 FIGB CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3cc4ccccc4o3)ccc21 6319754 MEWXYZQXQZORNL-YDZHTSKRSA-N 360.417 4.265 50 40 FIGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 15220173 WHDPYWHVFQNBSU-BOPFTXTBSA-N 350.418 4.256 50 40 FIGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccncc3)cc2[C@H](C)CC1(C)C 208322026 BGZYRNORADIXMO-HUSFYUSLSA-N 364.493 4.266 50 40 FIGB C/C(=N\NC(=O)c1ccccc1C)c1ccc(NC(=O)c2ccccc2)cc1 408837489 GXRHYPFFLSJPIS-KOEQRZSOSA-N 371.440 4.401 50 40 FIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl 409192700 ZBHBXKLANXBXAG-PTNGSMBKSA-N 353.853 4.405 50 40 FIGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(CC)cc2)c2ccccc21 409366108 YCGGGGBIVRJDDB-LFVJCYFKSA-N 359.473 4.391 50 40 FIGB N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 939451 VYZMHOCAMFMFSL-UKTHLTGXSA-N 369.446 4.480 50 40 FIGB Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1 3090653 UNQHECMUSBFQAP-HZHRSRAPSA-N 357.413 4.011 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 5654039 NFDJNIAQOHZCHS-GXDHUFHOSA-N 356.809 4.293 50 40 FIGB CC(C)[C@@H](NC(=O)[C@H]1C=CC(Cl)=C[C@@H]1Cl)c1nc2ccccc2[nH]1 12416240 SEGLMRSDGFVHGE-HEHGZKQESA-N 364.276 4.292 50 40 FIGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCC)c2)cc1 5907185 QKZDSPIYQMMYIV-VBKFSLOCSA-N 366.417 4.038 50 40 FIGB O=C(CSc1ccccn1)N/N=C\c1cccc(Oc2ccccc2)c1 33288560 JTFVUIZGMMQRBY-HMAPJEAMSA-N 363.442 4.116 50 40 FIGB CC(=O)n1cc(N(C(=O)CCl)c2ccc([N+](=O)[O-])cc2)c2ccccc21 4350647 BCTFKVRWPMIDNA-UHFFFAOYSA-N 371.780 4.113 50 40 FIGB COc1cccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)c1 33562695 MJFQPZJIDIIACX-HAHDFKILSA-N 360.413 4.038 50 40 FIGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC 33636045 WMENENKVWIAXAC-JWGURIENSA-N 354.450 4.418 50 40 FIGB CNc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc1[N+](=O)[O-] 40139896 QXAZVSRRNDJLBV-RIYZIHGNSA-N 360.373 4.216 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cc3c(c4c2CCCC4)CCCC3)cc1 41107856 WSXQLAFFIDAKIZ-BUVRLJJBSA-N 362.473 4.217 50 40 FIGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C 409002293 ZOKYPVADKQZDSQ-SRZZPIQSSA-N 355.825 4.413 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1 5584343 VXPXSAYDVNKMMX-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB COc1ccc(CC(=O)N/N=C(/C=C/c2ccccc2)c2ccccc2)cc1 5916974 NVWOSUCODZJNCV-YCASKEOHSA-N 370.452 4.472 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCC(C)C 6827329 AJVXVOUKRPTREB-SFQUDFHCSA-N 350.418 4.276 50 40 FIGB CS(=O)(=O)Nc1ccc(-c2csc(C(C#N)=C3CCCCC3)n2)cc1 7109616 AANOLYCZMFXIPH-UHFFFAOYSA-N 373.503 4.423 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1O 7157407 CYMQRTUGBPSDGC-RIYZIHGNSA-N 356.809 4.298 50 40 FIGB CCN1CCC(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 55075737 JITHRSWHSJIHPF-UHFFFAOYSA-N 372.472 4.103 50 40 FIGB N#CCn1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 409376166 VJBPYMMBTGUTBZ-LSHDLFTRSA-N 371.227 4.236 50 40 FIGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3cc4ccccc4o3)c2c1 16227870 YFVORKPNXGHQGH-QRVIBDJDSA-N 374.396 4.367 50 40 FIGB Oc1ccccc1/C=N\CCSSCC/N=C\c1ccccc1O 104267060 VNEHKTHVSFFQQZ-AXPXABNXSA-N 360.504 4.017 50 40 FIGB COC(=O)C1=C(Sc2ccc(Cl)cc2)[C@@H](Br)SC1 2557729 UCZFQFMMRVDFRO-NSHDSACASA-N 365.701 4.327 50 40 FIGB COC(=O)N/N=C/c1cccc(OCCOc2cc(C)ccc2C(C)C)c1 4525987 FDVZDAOIHPLFQG-HYARGMPZSA-N 370.449 4.266 50 40 FIGB CCCc1c(C(=O)Nc2ccc(SC#N)cc2)nnn1-c1ccccc1 12274641 YNNQUCYTZVVCAI-UHFFFAOYSA-N 363.446 4.045 50 40 FIGB Cc1cccc2nc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cn12 29488430 PBTZRPOPZPOWAH-UHFFFAOYSA-N 369.639 4.360 50 40 FIGB Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(NC(=O)C(F)(F)F)c1 44028399 REVNIKHRKDDQOE-KPKJPENVSA-N 364.348 4.347 50 40 FIGB N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 904586 JZYSMYUGJJBCOJ-WZUFQYTHSA-N 355.184 4.420 50 40 FIGB COc1ccc(NC(=S)N/N=C(\CCCCl)c2ccccc2)cc1 4280772 YJEDEXCXHHKVLP-HEHNFIMWSA-N 361.898 4.405 50 40 FIGB CC[C@H](C)Oc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cccc1OC 4525138 PLRFXNOKIRRGOW-QXPQOBGOSA-N 366.417 4.124 50 40 FIGB N#C/C=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 6322139 PBJXPNSEMZUUMU-OWOJBTEDSA-N 359.179 4.473 50 40 FIGB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C(C#N)=C\c1ccccc1 6382544 YLRGHOAYHJLWTF-ZAQMWWHKSA-N 369.461 4.141 50 40 FIGB Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccccc4)CC(=O)N3C2)c1 6746304 AOHDNAYNTGHYHB-GOSISDBHSA-N 361.470 4.215 50 40 FIGB N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccn1 6829691 JILYJWKKRLUSGM-VKAVYKQESA-N 374.469 4.106 50 40 FIGB O=C(N/N=C/c1ccco1)c1ccc(COc2ccc(Cl)cc2)cc1 8284357 PAGNEWUHVNXOBZ-CIAFOILYSA-N 354.793 4.276 50 40 FIGB CCCOc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 20197483 OVSBAVHPLOKIRW-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1C 59133354 YKVNCHMKKLQIDH-MKMNVTDBSA-N 354.793 4.231 50 40 FIGB CCO[P@@](=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1NC 103613708 IHWWYHBACRJSQL-BOMYWPOKSA-N 368.373 4.152 50 40 FIGB COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCc1ccccc1 657763 VCWSRRLMYAECQX-HZHRSRAPSA-N 360.413 4.038 50 40 FIGB CCOc1ccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 833016 XHSGLEFOOBLJQP-XDHOZWIPSA-N 361.239 4.002 50 40 FIGB CC(C)=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 4502984 JOAUGERFVBSRJE-UHFFFAOYSA-N 363.505 4.267 50 40 FIGB C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCCC2 4705505 IVULFVZIWYXDBU-HZHRSRAPSA-N 358.445 4.110 50 40 FIGB COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc12 7384810 QEMGIUQFWWRRPY-LFVJCYFKSA-N 373.456 4.213 50 40 FIGB C[C@@](CC(=O)Nc1ccc(SC#N)cc1Cl)(C(=O)O)c1ccccc1 13467621 LYMHKDCYGKZOAZ-SFHVURJKSA-N 374.849 4.284 50 40 FIGB CC1(C)CC2=NC(SCC(=O)O)=C(C#N)[C@H](c3ccccc3)C2=C(O)C1 103945552 NIYSFTQGTITFKB-KRWDZBQOSA-N 368.458 4.410 50 40 FIGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccccc1-n1cccc1 408960434 LRNYIKSWHNMPFC-JJIBRWJFSA-N 372.472 4.150 50 40 FIGB C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1 409186536 DKSXRPYFQRJBNE-HMAPJEAMSA-N 364.401 4.160 50 40 FIGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)ccc1O 3230005 UQZDKOZEOZPUAE-KRWDZBQOSA-N 364.426 4.224 50 40 FIGB COC(C[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1)OC 104121343 FWCOXYHBAMQQMW-UHFFFAOYSA-N 366.441 4.206 50 40 FIGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408723646 YWQAPRVPNHNMNR-HUPWQOHGSA-N 367.405 4.131 50 40 FIGB CCCCOc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1 6651904 NUIFZDQFCXZDRT-HYARGMPZSA-N 366.417 4.384 50 40 FIGB Cc1ccc(NC(=O)N/N=C/c2ccc(N3CCCCC3)cc2)c(C)c1 408856280 QADNQAFMJILOEO-PXLXIMEGSA-N 350.466 4.449 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(O)cc1 409375637 NIZPGWNRYZTSMM-ATVHPVEESA-N 373.412 4.051 50 40 FIGB NNC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1090927 GYPOQIVZCVBIOB-UHFFFAOYSA-N 353.425 4.415 50 40 FIGB CC(C)(C)c1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1 1454012 FMEGVMKFUUHUBO-GOSISDBHSA-N 363.486 4.284 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(C)cc3)c2)cc1 2774550 IFULCWDWSHPEGG-BUVRLJJBSA-N 374.440 4.347 50 40 FIGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 5654013 LSNSSMQEUMFIBT-NTEUORMPSA-N 356.809 4.293 50 40 FIGB Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c1 15842781 SGSQUGDJZSXBPU-UHFFFAOYSA-N 368.289 4.242 50 40 FIGB Cc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(-c3ccccc3)cc2)cc1 5814856 FZLWQUOJWGVURC-UHFFFAOYSA-N 368.440 4.118 50 40 FIGB CCSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9014100 QIXQBEVENMTBOP-SFHVURJKSA-N 364.470 4.357 50 40 FIGB CCOc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 30840640 LRPDJNNGKHHWGZ-JLPGSUDCSA-N 374.440 4.281 50 40 FIGB C[C@]12CC[C@@H]3[C@H](C[C@@H](Cl)[C@@]4(Cl)C[C@@H](O)CC[C@]34C)[C@H]1CC[C@@H]2O 253503971 BCXBBIBUUYCTPJ-ZPHWJDLPSA-N 361.353 4.330 50 40 FIGB biogenic,in-vitro C/C(=N\NC(=O)c1ccccc1C)c1cccc(NC(=O)c2ccccc2)c1 408861921 VNFIDSNHVOVXAI-KOEQRZSOSA-N 371.440 4.401 50 40 FIGB Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c1 409219423 MKAPMPBLCKUBGL-MFKUBSTISA-N 369.424 4.210 50 40 FIGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 2388916 HUWVEAWXGLCITE-FSJBWODESA-N 366.392 4.232 50 40 FIGB CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1 3269112 KRVHMFMODNDKAB-SDXDJHTJSA-N 363.461 4.477 50 40 FIGB O=C(CCCc1ccc(O)cc1)N/N=C/c1ccc(Cl)cc1Cl 6241864 CXZKMKRGINBBHR-RGVLZGJSSA-N 351.233 4.172 50 40 FIGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1nc2ccccc2s1 7278837 IOZAWDGSNOEAIH-WSDLNYQXSA-N 361.426 4.309 50 40 FIGB C[C@H](Br)Cc1c(O)ccc2oc(-c3ccccc3)cc(=O)c12 36633730 RDJXJFDQBPHKHW-NSHDSACASA-N 359.219 4.492 50 40 FIGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)cc1Cl 44835451 GPBLGKYUDVIJQG-WSDLNYQXSA-N 368.820 4.438 50 40 FIGB FC(F)(F)c1cccc2c1[C@@H]1O[C@@H]2[C@H](Br)[C@@H]1Br 100645210 XEKDFSULVJVFFF-KATARQTJSA-N 371.978 4.358 50 40 FIGB O=C(CCl)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 2317864 BNJPNTRUYDXTGI-UHFFFAOYSA-N 369.273 4.192 50 40 FIGB C/C(=N\NC(=O)c1cccs1)c1cccc(NC(=O)c2cccs2)c1 17075747 OFIFGROSYXFJOP-UDWIEESQSA-N 369.471 4.216 50 40 FIGB CC(C)(C)c1ccc(C(=O)NNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 59417523 KDZYCNCWUCQJLZ-UHFFFAOYSA-N 370.434 4.259 50 40 FIGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(Cl)cc1 71411455 NQZAODNEBBSHBT-HNNXBMFYSA-N 366.829 4.133 50 40 FIGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccccc1Cl 408998479 UPNXWBQTLFWYGW-UCQKPKSFSA-N 365.864 4.440 50 40 FIGB N#C/C(=C\c1cccc(OCc2c(F)cccc2Cl)c1)C(=O)NC1CC1 409198826 LMIAIZBKXFFSDZ-NTEUORMPSA-N 370.811 4.244 50 40 FIGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cccc(F)c1 409390673 GNBDHOLZLCIODI-WCIBSUBMSA-N 363.142 4.266 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 941879 MCXBOXDCRYFLMS-LFIBNONCSA-N 361.426 4.364 50 40 FIGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(N)=O)cc3)n2)cc1 5007579 SZQWJLJKNNCECR-SFQUDFHCSA-N 374.469 4.448 50 40 FIGB Cc1[nH]c2ccccc2c1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 26533434 BTYNLTWHHMAIOY-GDNBJRDFSA-N 356.834 4.468 50 40 FIGB COc1ccc(Br)cc1NC(=O)c1ccc(CCl)cc1 49567970 RGYXCAYFLVNEQD-UHFFFAOYSA-N 354.631 4.449 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@]21C 106048564 XZWPSJQITJDOLR-HHPFVMFBSA-N 360.457 4.128 50 40 FIGB CCCCCCOc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 3210747 BMZRCNMNMFFLSS-HYARGMPZSA-N 368.433 4.138 50 40 FIGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C)cc1C 20194617 MUPXRWQRBXPUHV-PCLIKHOPSA-N 370.452 4.161 50 40 FIGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1CC 408868055 NIXUOEUQLJDABO-QGOAFFKASA-N 362.429 4.368 50 40 FIGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccs3)cc2)cc1 5682834 NMPYGVMZZFOAPI-FYJGNVAPSA-N 350.443 4.399 50 40 FIGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(F)cc1 13584310 ICSFXAOGACJCTF-JAIQZWGSSA-N 359.451 4.068 50 40 FIGB CCn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 20760297 WURXETXLDWCWKY-RGVLZGJSSA-N 370.250 4.188 50 40 FIGB CCCC/C(C)=N/NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 58885760 AFOBEWLYNBAQSI-PXLXIMEGSA-N 353.422 4.100 50 40 FIGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Br)s1)c1ccccc1 59133389 TXVXOIUWAQBSRJ-NASPGAHYSA-N 361.264 4.295 50 40 FIGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1C(F)(F)F 59436872 XTYBQGZBVSYSIS-XIJPWPHISA-N 366.408 4.477 50 40 FIGB CCN1c2cc(C)c(/C=N\NC(=O)c3ccco3)cc2[C@H](C)CC1(C)C 208317883 MOVZZDNDSMFSOY-VUZLNAKASA-N 353.466 4.464 50 40 FIGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1 408526512 CHJGFNOXTBYEGJ-HZHRSRAPSA-N 362.429 4.158 50 40 FIGB COc1cc(N2CCCC2)c(OC)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 13016254 BWZPRPICTJXEDK-LFIBNONCSA-N 374.444 4.244 50 40 FIGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C#N)cc1F 408965812 IUCGTYCIWFHAEE-ZMOGYAJESA-N 361.376 4.013 50 40 FIGB CC(C)CNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 1717232 ZNDBMTMHCQKHTO-UHFFFAOYSA-N 359.341 4.066 50 40 FIGB O=[N+]([O-])c1cccc(/C=N/c2ccc(/C=C/C3(CCl)OCCO3)cc2)c1 17721274 XZKLWCAHMGLDFR-XXUDQKMASA-N 372.808 4.341 50 40 FIGB C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2ccc(NC(=O)CCC)cc2)C1 30904706 GWIFQFZNKYMLLT-VSGPLIKPSA-N 353.466 4.443 50 40 FIGB N#C/C(=C/c1cc(Br)ccc1F)C(=O)c1ccc2c(c1)OCO2 48361596 YUBMYABJSDCLPK-XGICHPGQSA-N 374.165 4.107 50 40 FIGB Cc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408569194 MFOKIYONBWSTTC-UDWIEESQSA-N 372.515 4.003 50 40 FIGB C[C@@]12CC[C@@H](CC1=O)[C@]2(C)CP(=O)(c1ccccc1)c1ccccc1 2568427 WGNZYPKNUMNPEW-WTOYTKOKSA-N 352.414 4.396 50 40 FIGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccccc1 4599870 IZEUVKTXARAZPL-FOWTUZBSSA-N 358.353 4.190 50 40 FIGB O=C(N/N=C/c1cccc(Br)c1)c1cccc2ccccc12 5704985 ONZJHHMEPCHWOJ-UDWIEESQSA-N 353.219 4.366 50 40 FIGB COc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)cs1 33466809 QHBCQMMFAAHOFK-POHAHGRESA-N 363.236 4.065 50 40 FIGB Cc1c(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc2n1C 59303536 IRHRXSNPYIRJMJ-WYMPLXKRSA-N 373.378 4.198 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)c1 408778998 OOYXDKVBVSHRMP-BOPFTXTBSA-N 350.418 4.337 50 40 FIGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c(C)c1 408805556 GPUZEIYXOQJIDQ-NTEUORMPSA-N 356.809 4.211 50 40 FIGB C=CCn1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc21 408819736 SSJTWOJJARXHHR-AQTBWJFISA-N 371.440 4.059 50 40 FIGB Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cn1 1088705 QATLAOQMVQMMNA-BHGWPJFGSA-N 373.334 4.433 50 40 FIGB Cc1ccc(NC(=O)CSSCC(=O)Nc2ccc(C)cc2)cc1 1806505 QAXGXJHODVFUKR-UHFFFAOYSA-N 360.504 4.262 50 40 FIGB CCCSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(C)=O)=C(C)N1 2051156 MIXWHSUQUTUVPE-QGZVFWFLSA-N 357.435 4.023 50 40 FIGB CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 3102865 CXJMFWMUTBJDKU-HZHRSRAPSA-N 365.477 4.241 50 40 FIGB CC[C@H](Nc1cccc(Br)c1)C(=O)NN=C1CCCC[C@@H]1C 5737202 NEPRCGZIZAZBAP-WFASDCNBSA-N 366.303 4.322 50 40 FIGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1 7930388 IWAXSTGZOUOLPP-RGVLZGJSSA-N 369.764 4.272 50 40 FIGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(Br)s1 17074698 CQDPNQGGVMWBMJ-RAPDUPMSSA-N 363.280 4.155 50 40 FIGB CC(=O)c1c(C)[nH]c(C(=O)NN=C(c2ccccc2)c2ccccc2)c1C 25670988 UWPVGDFBIHSPHF-UHFFFAOYSA-N 359.429 4.017 50 40 FIGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)cc1 58822866 ANNUDXHQFUWMQQ-GHRIWEEISA-N 372.380 4.279 50 40 FIGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(N2Cc3ccccc3C2)cc1 408718598 HLAWAXAMCLGYEQ-ZMOGYAJESA-N 359.404 4.110 50 40 FIGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(OC)c1 408742744 BYDKQTBSWDAEDO-AQTBWJFISA-N 363.461 4.396 50 40 FIGB Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)s1 409153671 IKZSCZSGMOZMNG-YBFXNURJSA-N 369.471 4.134 50 40 FIGB Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 409164777 NSNLDRAZLRAOGU-CIAFOILYSA-N 363.373 4.236 50 40 FIGB O=C(N/N=C/c1ccc(OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 3909328 AICKZOLRZVNXOK-FOKLQQMPSA-N 366.383 4.252 50 40 FIGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c2ccccc21 408567901 QGRAHZBUVCMYAK-BUVRLJJBSA-N 359.473 4.445 50 40 FIGB N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 408599771 ZKPGCDLZAMIECI-MHWRWJLKSA-N 369.808 4.149 50 40 FIGB CCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 710919 XPJWZAWAGKOYKT-KEBDBYFISA-N 351.233 4.085 50 40 FIGB N#C/C(=C\c1ccc(Sc2ccccc2)o1)C(=O)NCc1ccco1 1411718 ZORSTSWTRYRCKH-SDNWHVSQSA-N 350.399 4.247 50 40 FIGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)Nc1ccc(Cl)cc1 408959531 AOWPAXHMLVRCSS-STZFKDTASA-N 356.857 4.486 50 40 FIGB OC1=NC(=S)S/C1=C/c1ccc(N(CCCl)CCCl)cc1 1580867 PLSRJGXCEPRALP-FMIVXFBMSA-N 361.319 4.300 50 40 FIGB Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)ccc1Cl 3148665 SIRPJHXKUOISRP-DNTJNYDQSA-N 371.651 4.484 50 40 FIGB C=CCn1c(C)c(/C=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21 408526497 CFZQVTIVHWNPET-ZVHZXABRSA-N 360.461 4.006 50 40 FIGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 5756663 DSWLUIJDCKONFY-DHZHZOJOSA-N 362.172 4.447 50 40 FIGB CCO[Si](C)(C)CCCCCCCCCCCO[C@@H]1CC(=O)NC1=O 255190069 UUFPOVMPUFEWJZ-QGZVFWFLSA-N 371.594 4.171 50 40 FIGB C[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccnc2)/C(=C/c2cccnc2)C1 19796886 ZOFNDSWLZTZBCP-LLYNCAEDSA-N 356.429 4.052 50 40 FIGB CCCOc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 20010549 BUDXRHGMTOHKNB-PXNCGERRSA-N 374.868 4.355 50 40 FIGB C[C@]12CC[C@H]3[C@@H](C[C@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 33998605 HAWQRBIGKRAICT-BMSLSITRSA-N 365.311 4.461 50 40 FIGB in-vitro N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 108271704 KNVIZMXWGKNFAM-SDQBBNPISA-N 361.184 4.237 50 40 FIGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 408728528 OEPRKHOMWWYJMY-LPYMAVHISA-N 368.820 4.301 50 40 FIGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1O 832776 MQICLPCZJCMNPB-FQEVSTJZSA-N 358.397 4.162 50 40 FIGB O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])cc1 4475287 QQWCULXOJMTYEL-UHFFFAOYSA-N 374.809 4.129 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)cc1 5131111 FBPZEVWVOXQXLP-RIYZIHGNSA-N 356.809 4.162 50 40 FIGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408723648 YWQAPRVPNHNMNR-LDEZXBAHSA-N 367.405 4.131 50 40 FIGB N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)NC1CCCC1 409191911 QDFMITWIPDVAAO-AQTBWJFISA-N 364.420 4.370 50 40 FIGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC)c2)cc1OCC 409318419 VOMLRBFWSQKVLI-JCMHNJIXSA-N 370.449 4.037 50 40 FIGB O=C(NNc1c2ccccc2nc2ccccc12)c1ccc([N+](=O)[O-])cc1 4015363 VGGNLSPRDYYYOV-UHFFFAOYSA-N 358.357 4.053 50 40 FIGB O=C(CCCC[C@H]1CCSS1)N1CCN(c2ccccc2)CC1 61468881 XALHLWOCFDLRLI-KRWDZBQOSA-N 350.553 4.049 50 40 FIGB biogenic COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C 408775909 WKJHVIRQFYWTIE-SXGWCWSVSA-N 371.868 4.188 50 40 FIGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 408804083 COTGCPZWVHDWQV-OQLLNIDSSA-N 354.793 4.119 50 40 FIGB CCc1ccc(CC(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 409365055 SJCLRIZVIPQXSB-DEDYPNTBSA-N 359.267 4.094 50 40 FIGB O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(C(=O)CCl)c1 1749685 DKOZJAKRQUDWHH-UHFFFAOYSA-N 372.635 4.432 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 1782555 BUDXRHGMTOHKNB-IKMPRTQCSA-N 374.868 4.355 50 40 FIGB N#Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(F)cc2)cc1 8812286 QLZICYSPDXTYBD-AFUMVMLFSA-N 373.387 4.040 50 40 FIGB C=CCn1c(C)c(/C=N/NC(=O)c2ccc(OCC)cc2)c2ccccc21 20764148 QZPIDKOCTNIWPA-HZHRSRAPSA-N 361.445 4.298 50 40 FIGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccn2)c1C 59104667 HKGQPMJBHWZGLV-ZVHZXABRSA-N 360.461 4.124 50 40 FIGB O=P(C(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)(c1ccccc1)c1ccccc1 100013605 OAWWUCDYEOMRPU-MDZRGWNJSA-N 355.443 4.064 50 40 FIGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccncc1 409229416 OSAPQHWLASGZOB-RHTHQAGFSA-N 370.456 4.274 50 40 FIGB CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 5336328 ZDPHHUJGEZYRRD-RGVLZGJSSA-N 362.882 4.122 50 40 FIGB COc1ccc(/C(C)=N/NC(=O)CCSc2ccc(Cl)cc2)cc1 20248219 GCGYTBWDXUWYSN-DEDYPNTBSA-N 362.882 4.371 50 40 FIGB Cc1ccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 31723754 NERXAKVDQIYKGS-HAHDFKILSA-N 357.413 4.011 50 40 FIGB Cc1cc(C(=O)NN(c2ccccc2)c2ccccc2)c2c(C)noc2n1 58380219 KZWANHMLVCYJHS-UHFFFAOYSA-N 358.401 4.323 50 40 FIGB Cc1ccc(C(C)C)c2oc(=O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1ccccc1 104766028 OTJRBMRBZVOOOS-SFHVURJKSA-N 372.424 4.443 50 40 FIGB CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(OC)c1 409102391 ZFXYFQBEOCSTTK-ZROIWOOFSA-N 356.809 4.293 50 40 FIGB CCn1cc(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 409219353 LNWNRYNPBUKZQT-RGVLZGJSSA-N 370.250 4.188 50 40 FIGB N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1Cl 5131290 RDUOXAMNDIUUDF-DHZHZOJOSA-N 362.172 4.447 50 40 FIGB Cc1ccc2nc(NNC(=O)c3cccs3)nc(-c3ccccc3)c2c1 58196729 FLXWFMPWOSSDGI-UHFFFAOYSA-N 360.442 4.424 50 40 FIGB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)C#N)OCCO3 253619763 OOLWTOWNVAYEQM-LQDXZBFHSA-N 359.510 4.027 50 40 FIGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 409125564 BBDWWBNIULZSJW-NSMHLIOHSA-N 364.470 4.485 50 40 FIGB CC/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccccc1 4879817 BNPUZYQXPOGDMM-XSFVSMFZSA-N 355.488 4.319 50 40 FIGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(OC)cc1 38633523 CSFJKEVSSGAWFL-HAHDFKILSA-N 362.429 4.401 50 40 FIGB COc1cc(Cl)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 66202218 WTVPFRIZNRVJIS-WSDLNYQXSA-N 374.868 4.419 50 40 FIGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1 408720106 SCWKYSKYZOMEPQ-YIRPMMGJSA-N 356.491 4.247 50 40 FIGB Cc1ccc(NC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)cc1C 408962233 XNBWFZRMNCROEN-HMAPJEAMSA-N 350.466 4.368 50 40 FIGB N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1cccc(Br)c1 409107961 YYJOLZDEMHYPKV-ATVHPVEESA-N 369.262 4.350 50 40 FIGB C=CCOc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 409137289 WOHCUELPIKOTLH-YIRPMMGJSA-N 354.475 4.191 50 40 FIGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 58928287 LZWCYFVCALJQIC-YDZHTSKRSA-N 365.408 4.006 50 40 FIGB C[C@@]12CC[C@H](c3nc4ccccc4nc31)[C@@]2(C)CI 100745884 TVZHYSHWUAPAPP-UHNFBRDESA-N 364.230 4.220 50 40 FIGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408542773 NUOPYUCXJJUICU-LGMDPLHJSA-N 371.396 4.030 50 40 FIGB COc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c1 408871837 XXZAYDLUGJCTTL-MTJSOVHGSA-N 354.793 4.373 50 40 FIGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccccc1Cl 1090831 ZWICWDYPROBNLV-WSDLNYQXSA-N 367.836 4.217 50 40 FIGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2F)sc(C)c1C 1453426 BWTXYPCSDVEPRO-NTEUORMPSA-N 372.421 4.226 50 40 FIGB CCOC(=O)N/N=C/c1cn(CCCOc2ccccc2)c2ccccc12 2309254 KFGONSJXOHPHMY-PXLXIMEGSA-N 365.433 4.190 50 40 FIGB CC(C)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 4691188 VYYPWOARCJCXEW-RGVLZGJSSA-N 351.362 4.228 50 40 FIGB Cc1ccc(-n2nc(C)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c2O)c(C)c1 5277181 LLDRHADVLWZNFX-LFIBNONCSA-N 369.428 4.444 50 40 FIGB N#C/C(=C/c1cccc2c1OCO2)C(=O)Nc1ccc(SC(F)F)cc1 40139583 XHQIRBFCDNCMSM-WQLSENKSSA-N 374.368 4.276 50 40 FIGB N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1 408570706 XRYUCSBCAUFGOC-LCYFTJDESA-N 373.347 4.465 50 40 FIGB O=C(Cc1ccccc1)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408942307 XHSRQDNPVSZRGW-ZVHZXABRSA-N 371.362 4.189 50 40 FIGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(N2CCCC2)cc1 4106696 MCHBKSULUKMFMK-JJIBRWJFSA-N 357.457 4.133 50 40 FIGB N#CCn1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21 6897006 OOGVZZUDFKVFFT-MFKUBSTISA-N 366.424 4.011 50 40 FIGB CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N1 20028755 MKDCKBUHUFXJTA-INIZCTEOSA-N 362.882 4.351 50 40 FIGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc(O)cc3)cc21 208457588 NNYZCOPZKIKRMP-YDZHTSKRSA-N 363.461 4.096 50 40 FIGB CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC 408805683 BRRNKRPKQDNMEV-PDYOUEGOSA-N 370.493 4.476 50 40 FIGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1 408875703 GZIATFFSOGTKDL-VGOFMYFVSA-N 371.234 4.312 50 40 FIGB COC(=O)N/N=C/c1cn(CCOc2ccc(C)cc2C)c2ccccc12 2365571 SUZSSNFZVNCDOJ-LPYMAVHISA-N 365.433 4.027 50 40 FIGB Cc1ccc(/C=N/NC(=O)COc2cc(Cl)c(Cl)cc2Cl)o1 2751819 GCUFWFBPXMYTFT-NGYBGAFCSA-N 361.612 4.077 50 40 FIGB O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1sc2ccccc2c1Cl 2780025 JHUMCTYPDQJIMB-ZIAGYGMSSA-N 370.861 4.119 50 40 FIGB CCC(=O)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 3768208 RMJGLLTYNPYDHZ-DYTRJAOYSA-N 357.866 4.201 50 40 FIGB CCOc1ccccc1/C=C(\C#N)c1nc2sc(C)c(C)c2c(=O)[nH]1 6210751 SHGUWRPEPSRKLI-NTEUORMPSA-N 351.431 4.064 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C#N)cc2)c2ccccc12 408924389 IFSXXQPBSXMNQJ-WOJGMQOQSA-N 355.397 4.031 50 40 FIGB Cc1ccc2ccccc2c1C(=O)[C@H](Br)CBr 575358301 FTMHFGIDBPXULA-GFCCVEGCSA-N 356.057 4.489 50 40 FIGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(Cn2cccn2)c1 1081926 AEIIHRVKKZNRKD-SRZZPIQSSA-N 373.243 4.002 50 40 FIGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OC(F)F 3322611 NKPGFKHQUFHEKE-OQLLNIDSSA-N 372.371 4.459 50 40 FIGB Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)cc1 5728598 FKOBZWOSXCKYDQ-PUMYGXPMSA-N 356.429 4.170 50 40 FIGB COc1cc(C)c(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)cc1C(C)C 23410736 LPHZHETYXRRVML-QLPFJNHISA-N 354.450 4.045 50 40 FIGB N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccccc1 408767084 VNGIXEORQQIZDM-DTQAZKPQSA-N 358.353 4.044 50 40 FIGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C)c([N+](=O)[O-])c1 408801048 SJFOLWIMKXWITO-NTUHNPAUSA-N 371.780 4.111 50 40 FIGB C=CCc1cccc(/C=N/NC(=O)[C@@H](CC)Nc2ccc(C)cc2C)c1O 654971 IZORJOISKRTWLF-IXOWOOARSA-N 365.477 4.078 50 40 FIGB COc1ccc(Cl)cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C 1440651 JPOGVCKLVAVPAD-SSDVNMTOSA-N 374.868 4.310 50 40 FIGB N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(C(F)(F)F)cc1 5338223 QLSAPXUYOTZRES-INIZCTEOSA-N 367.330 4.472 50 40 FIGB O=C(NNC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccccc1 6934128 NVCOYQADZFOKNR-UHFFFAOYSA-N 357.841 4.005 50 40 FIGB Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 15934405 RKXBLHDDKZFMSG-AFUMVMLFSA-N 368.440 4.036 50 40 FIGB O=C(CCSc1ccccc1)N/N=C/c1ccccc1Br 58916034 SQOUSKQHYMFEHE-LDADJPATSA-N 363.280 4.082 50 40 FIGB CSc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 408755678 LNEHWQULCJRAOM-SRZZPIQSSA-N 352.381 4.120 50 40 FIGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1O[C@H](C)C(=O)O 409009057 SMUQVSYXTRHQAT-PWDRSIHYSA-N 357.793 4.265 50 40 FIGB CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc2ccccc2o1 1834411 MEBAVXZGLIXRAS-BHFKYQIGSA-N 351.431 4.125 50 40 FIGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCCCC)cc1 3169116 SYSSQNAGCUBVRD-XQNSMLJCSA-N 366.461 4.123 50 40 FIGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCc1ccccc1 6209465 LSILDWJCCAKHHP-XMHGGMMESA-N 356.425 4.462 50 40 FIGB CC(C)c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 33519307 VYYPWOARCJCXEW-JAIQZWGSSA-N 351.362 4.228 50 40 FIGB N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1ccccc1F 35225939 WUMQLWMQUCWOEL-YHYXMXQVSA-N 363.142 4.266 50 40 FIGB C[C@@H](C(=O)NN=C(c1ccccc1)c1ccccc1)n1cnc2ccccc21 36834317 QNYXTJCNUYPCNQ-KRWDZBQOSA-N 368.440 4.166 50 40 FIGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 83261088 SLFKHIPQCKZQGX-RVDMUPIBSA-N 355.777 4.029 50 40 FIGB CCc1ccc2oc(-c3ccc(OC)c(NC(=O)CSC#N)c3)nc2c1 226328511 TTXXQLGMDSOFSZ-UHFFFAOYSA-N 367.430 4.219 50 40 FIGB CCOC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1 408735667 VXMVREUTJSOVRV-LFIBNONCSA-N 368.820 4.371 50 40 FIGB CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)OCCOC)c1C 408960844 ORAXCEWKOCTLNK-DEDYPNTBSA-N 366.461 4.062 50 40 FIGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)o1 14134677 YJBIILHYSYNYIV-OZNZCJATSA-N 368.820 4.092 50 40 FIGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C\c1c[nH]c2ccccc12 33155116 AHFGAIDFADSDCD-BTXKWLAHSA-N 355.825 4.047 50 40 FIGB Cc1ccc(NNC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1Cl 36394417 QFGLMWRXOKRTCE-UHFFFAOYSA-N 358.854 4.254 50 40 FIGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)c1 408743914 IDAXEDPAHVFQPG-UVTDQMKNSA-N 371.234 4.312 50 40 FIGB N#CC(C#N)=Cc1ccc(NC(=O)c2ccccc2Br)cc1 3216905 ZIQXSJNKFSIBIK-UHFFFAOYSA-N 352.191 4.132 50 40 FIGB CN(C)/C=C(\C#N)C(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cn1 29764125 CIIPOQVVMBETGW-VAWYXSNFSA-N 361.323 4.044 50 40 FIGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccncc3)cc21 208464326 YSZQHAOLGQRNMY-FSJBWODESA-N 368.868 4.131 50 40 FIGB CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408604082 SGWVACRRGSZGAT-OVGFGYAMSA-N 350.418 4.418 50 40 FIGB CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 2365799 PWTIKRWQPVATHF-XNTDXEJSSA-N 373.250 4.327 50 40 FIGB aggregator O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc(F)cc1F 3252806 FEPDYUBQGJCSEI-ZMOGYAJESA-N 366.367 4.161 50 40 FIGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)c(C)c1 5684016 QOGZPLIDIMSFIG-NCELDCMTSA-N 372.468 4.080 50 40 FIGB CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1 10475888 JBCDNCTUOORZLQ-XQNSMLJCSA-N 352.478 4.466 50 40 FIGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc(Cl)c1O 13038272 SHDPVVVUPQLHSB-VGOFMYFVSA-N 367.792 4.477 50 40 FIGB O=C(Nc1nc(-c2ccc(F)cc2)ns1)[C@H](Cl)c1ccc(F)cc1 72427773 RCJMMVHZYCMZKL-CYBMUJFWSA-N 365.792 4.402 50 40 FIGB Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3F)o2)c1C 13945634 UDAGYLCJGIKXAD-FMCGGJTJSA-N 366.392 4.232 50 40 FIGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 42645490 QMNVPJZTHGCEDL-RGVLZGJSSA-N 353.765 4.165 50 40 FIGB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCl 1465602 WSHRXPCQXZXQEP-UHFFFAOYSA-N 351.855 4.386 50 40 FIGB Cc1ccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1 4922557 PZEAWJWBZYODLY-GOSISDBHSA-N 361.470 4.215 50 40 FIGB O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccs1 5272686 OSWLRLUOVUPYBA-QGZVFWFLSA-N 368.483 4.043 50 40 FIGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OC 6959715 ARUDBLDZGOUWNJ-SFQUDFHCSA-N 350.418 4.202 50 40 FIGB CC(C)/C=N\N(CCOC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 17161456 VPIKGBQEGQCWHR-QNGOZBTKSA-N 368.437 4.411 50 40 FIGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(Cl)c1 408599736 ZDJGONIPQBXKDF-MHWRWJLKSA-N 369.808 4.149 50 40 FIGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1 2670158 KBKABPFFMSOTIP-XDJHFCHBSA-N 368.392 4.451 50 40 FIGB C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1cccc(Br)c1 4713954 NGWSNYSOJACIPV-JAIQZWGSSA-N 356.223 4.084 50 40 FIGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)cc1 6410837 AIJUUIKKQHUOQN-OQLLNIDSSA-N 370.836 4.465 50 40 FIGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccnc1 7278458 XXKKUXZOTNOOOQ-FSJBWODESA-N 365.820 4.078 50 40 FIGB CC(C)(C)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O 17527739 BTXKELCFYDPEEJ-UHFFFAOYSA-N 350.398 4.329 50 40 FIGB C=CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(C)cc1C 20194957 DGOCIAQMCWINRB-LPYMAVHISA-N 356.853 4.214 50 40 FIGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(=O)O)c1 101508662 YMKQSYXDNXNXSE-LGMDPLHJSA-N 371.396 4.030 50 40 FIGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OC 215740990 HKQZHVBUSWRNMJ-ZSOIEALJSA-N 356.809 4.211 50 40 FIGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc(C)cc1 409015228 YZCRFUDSGJRDBD-SRZZPIQSSA-N 360.841 4.096 50 40 FIGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 5716422 SRXFQBMMROBQOK-YBEGLDIGSA-N 371.820 4.398 50 40 FIGB c1ccc([P+](Cc2csnn2)(c2ccccc2)c2ccccc2)cc1 73280838 SWDAVLFDDCMAGE-UHFFFAOYSA-N 361.430 4.032 50 40 FIGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)c1 408993912 YBVHHJPNKRDMPP-AFUMVMLFSA-N 368.440 4.157 50 40 FIGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 408997749 SPSXLLPJMDVLQA-XDHOZWIPSA-N 367.386 4.103 50 40 FIGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N(CC)CC)o3)cc2c1 409188220 XNPRTSFPNSCFHX-BKUYFWCQSA-N 369.421 4.035 50 40 FIGB N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 713570 QOJBLXCLCATZFR-FQEVSTJZSA-N 359.404 4.130 50 40 FIGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(F)cccc2Cl)c1 5542580 VBIWOPWVQVSSSW-LSHDLFTRSA-N 362.832 4.440 50 40 FIGB CC1=C(C(=O)OC(F)(F)F)[C@@H](c2cccc(Cl)c2)C(C#N)=C(S)N1 24981943 DNZOSINAGFSGAH-LBPRGKRZSA-N 374.771 4.029 50 40 FIGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(N)=S 33714455 ZRQOLJCMQSFYLY-RIYZIHGNSA-N 373.275 4.221 50 40 FIGB Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(F)s3)o2)cc1C 252510014 ZADKONDNPGJMEN-UFFVCSGVSA-N 372.421 4.440 50 40 FIGB O=C(CCCC[C@@H]1CCSS1)Nc1cnn(C[C@H]2CCCCO2)c1 390827674 IVWNQFYZOPBFOE-HZPDHXFCSA-N 369.556 4.105 50 40 FIGB Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1 408805074 DDMDDJMGXMLFFB-CJLVFECKSA-N 369.468 4.360 50 40 FIGB Cc1c(/C=N\NC(=O)c2ccccc2Br)c2ccccc2n1C 408819749 RRAXRFOGWLYICI-JAIQZWGSSA-N 370.250 4.013 50 40 FIGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)cc1Cl 409068183 KKCWFZQDDZRWFJ-NHDPSOOVSA-N 371.824 4.113 50 40 FIGB