smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc2c(c1)OCO2 870988 TWFVMOOKNAEREG-QGZVFWFLSA-N 352.346 2.295 30 40 FEEB N/C(S)=N/N=C/c1cc(Br)c(O)c(Br)c1 6499585 COWOZALGRUXALC-KGVSQERTSA-N 353.039 2.496 30 40 FEEB C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCCC[C@@H]3CO)C(=O)O[C@@H]1C2 6623743 VQSWXEJDECKEJC-KWVZFDLSSA-N 363.498 2.360 30 40 FEEB Cc1ccc(C(=O)N/C(S)=N\NS(=O)(=O)c2ccc(C)cc2)cc1 2064500 RKZVLOGOPUMKJO-UHFFFAOYSA-N 363.464 2.213 30 40 FEEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCc1cccc(O)c1 58191195 MFPHZPJKXIFXSX-UHFFFAOYSA-N 363.421 2.215 30 40 FEEB C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1nc(=O)c2ccccc2[nH]1 58160565 QLZBBLGDDCGHOZ-ZDUSSCGKSA-N 361.405 2.254 30 40 FEEB N#Cc1cccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 10679583 MBPFHSHMKSMATQ-UHFFFAOYSA-N 369.446 2.141 30 40 FEEB C=CCNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 9937901 PSAQWXGYRLOMQF-CQSZACIVSA-N 367.453 2.332 30 40 FEEB N#C[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)NC12CCCCC2 2348077 VVESPOLSCWHYJI-SFHVURJKSA-N 365.481 2.133 30 40 FEEB O=C(C[C@@H]1S/C(=N\C[C@H]2CCCO2)NC1=O)Nc1ccccc1Cl 7882663 KONTYCRNYKVDPV-MFKMUULPSA-N 367.858 2.435 30 40 FEEB CCNC(=S)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(Cl)c1 33622330 CSNJWJOSPGPVBX-UBKPWBPPSA-N 364.254 2.363 30 40 FEEB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2cc(C#N)ccn2)cc1 583621052 SJLMJIDTZZHKTJ-ICSRJNTNSA-N 351.406 2.474 30 40 FEEB Cc1cc(=O)[nH]c(N/N=C/c2ccccc2I)n1 5728521 OPOBGBPIDVVWFZ-VGOFMYFVSA-N 354.151 2.129 30 40 FEEB Cc1ccc2nc([C@H](C#N)C3=NS(=O)(=O)c4ccccc43)nc(O)c2c1 5072492 JXSROSMRSJJXSD-CYBMUJFWSA-N 364.386 2.443 30 40 FEEB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3nccc(C#N)n3)CC2)cn1 2298047870 VZGQZNUHWZHXDX-UHFFFAOYSA-N 365.441 2.054 30 40 FEEB C[C@H](O)CN(Cc1c(O)ccc2ccccc12)C[C@@H](C)OS(C)(=O)=O 1701323 PBYLJDMUBGATNS-UONOGXRCSA-N 367.467 2.093 30 40 FEEB CCOC(=O)[C@]1(CCC(C)C)C[C@](C)(C(=O)C[n+]2ccccc2)OC1=O 1743550 CDQRNCFTFIEAEK-UXHICEINSA-N 362.446 2.235 30 40 FEEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 5370301 SDFFEYOWUVDLQY-OVJMFRMASA-N 356.444 2.083 30 40 FEEB N#Cc1cc(C(=O)c2ccccc2O)cn(-c2ccc(C(=O)O)cc2)c1=O 14142173 YMEOEPDHCZEUBO-UHFFFAOYSA-N 360.325 2.344 30 40 FEEB C=CCn1c(SCCCn2cnc3c(N)ncnc32)nnc1C1CC1 75358118 FQICNYUGFSCUGC-UHFFFAOYSA-N 356.459 2.246 30 40 FEEB CCOc1cccc2cc([C@H](C)Nc3c(C#N)c(=O)n(C)c(=O)n3C)oc12 9949988 BSSJDYXMNWHACG-NSHDSACASA-N 368.393 2.274 30 40 FEEB C=CCn1c(N/N=C(C)/C=C\c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 33341402 HDRMZLKYGJZNOG-HJXDIOJPSA-N 364.409 2.111 30 40 FEEB N#Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)sc2c1CCC2 77551780 MEINUCWGJDDIQA-GFCCVEGCSA-N 366.446 2.491 30 40 FEEB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccsc2)n2nnnc2N1 35325892 KLXWDEDDGXOLBJ-GFCCVEGCSA-N 373.419 2.121 30 40 FEEB Cc1ccc2c(CC(=O)NCCNc3ncccc3C#N)cc(=O)oc2c1 65523643 JOFVHAVNRKJEKE-UHFFFAOYSA-N 362.389 2.139 30 40 FEEB N#Cc1ccc(OC2CCC(NC(=O)COCC(F)(F)F)CC2)nc1 92034761 AFWBTULSGCKDFR-UHFFFAOYSA-N 357.332 2.338 30 40 FEEB N#Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408536979 UFCBKFSDJLCHRS-GMZLATJGSA-N 350.378 2.144 30 40 FEEB Cc1ncsc1CN1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1 96109117 WOSHCPHSYRKIKW-QAPCUYQASA-N 356.451 2.246 30 40 FEEB COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1/C2=N\NC(N)=S 16926693 DEXPUVAVLVLOIU-SAPNQHFASA-N 373.350 2.078 30 40 FEEB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)no1 12971684 IRQOHLODVJWLIK-NSHDSACASA-N 356.338 2.019 30 40 FEEB C[C@@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 83862122 QOORDKBFKYMFAT-RFKJHBGOSA-N 370.449 2.325 30 40 FEEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 5006520 JFNGZKAUVNROHO-SFQUDFHCSA-N 362.341 2.071 30 40 FEEB Cc1onc(CC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1C#N 572218036 KZLHOCVDYIGVMZ-OAHLLOKOSA-N 352.438 2.378 30 40 FEEB N#Cc1cc2ccccc2nc1N1CCC[C@@H](NS(=O)(=O)C2CC2)C1 1889139069 PNRRHRVXDXFVDN-OAHLLOKOSA-N 356.451 2.157 30 40 FEEB Cn1cc(-c2cnc(OC3CCN(c4cccc(C#N)n4)CC3)nc2)cn1 1889149042 JHSVEMBZRRMWLP-UHFFFAOYSA-N 361.409 2.192 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C\N[C@H](CC)Cc2c[nH]c3ccccc23)C1=O 101033934 AFGPOBMSOGZVCB-RGHBXIHOSA-N 366.421 2.227 30 40 FEEB C=CCNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 22248434 RXKNWGZJTHPETE-UHFFFAOYSA-N 360.863 2.052 30 40 FEEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@@H]2c1ccc(O)cc1 40283728 PILUZBKJPWUQHT-MRXNPFEDSA-N 352.394 2.346 30 40 FEEB CC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N(C(C)=O)n2c(C)nnc2S1 4518232 CPQMYJCKVAGECP-UHFFFAOYSA-N 359.367 2.043 30 40 FEEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@H]3c2cccnc2)cc1 21775572 JOEZYRODWKXFMM-KUHUBIRLSA-N 374.404 2.492 30 40 FEEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(O)cc3)C(=O)NC2=S)cc1 408765585 WKZZCNCDFGEKKY-SMLKNPDNSA-N 353.403 2.467 30 40 FEEB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(N)=S)c2)cc1C 409008663 ZMICNWOOCSSXAY-KEBDBYFISA-N 356.451 2.488 30 40 FEEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(O)c(OC)c2)c1 5408854 OYJFUTLHWPVHDO-MRXNPFEDSA-N 355.346 2.275 30 40 FEEB C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1-c1ccc(C)cc1 16788752 XRDLZLIOTHRYCI-UHFFFAOYSA-N 374.466 2.211 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccncc1 100914327 FKMJZFFFQKRUJO-DUMMIQTOSA-N 367.405 2.214 30 40 FEEB N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 24713238 SOVDVZZIVBDZLL-UHFFFAOYSA-N 355.463 2.455 30 40 FEEB N#Cc1cccnc1NCC1CCN(S(=O)(=O)c2ccccc2)CC1 57856538 XCMFGEXKVUXOLG-UHFFFAOYSA-N 356.451 2.466 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 101299341 XXBHLGZVICJEFR-NZQCTYEBSA-N 358.872 2.351 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(F)cc2)C1=O 408530322 DZFHCXFZKLZXNY-CYBMUJFWSA-N 355.325 2.436 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cc3c(cc2Br)OCO3)C1=O 15013668 WGRXDSUXQDVYQW-ONNFQVAWSA-N 351.156 2.257 30 40 FEEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCCCn3ccnc3)C(=O)O[C@@H]1C2 3985049 YPVNDGHUQSAIQK-DOVHUEEUSA-N 373.497 2.390 30 40 FEEB biogenic CCN1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C(N)=O)C1 4087112 VCHHQXFSCBDLDB-UHFFFAOYSA-N 354.435 2.349 30 40 FEEB O=C(O)CCCNC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 26920500 KCYZEIXWWRJHLC-CQSZACIVSA-N 354.406 2.251 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 847086 KLTJMDWRZQKRET-MRXNPFEDSA-N 370.365 2.166 30 40 FEEB C=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 22689206 SSVYYTRYBANHPH-MRXNPFEDSA-N 362.426 2.018 30 40 FEEB COc1ccc(CC(=O)OCC(=O)Nc2ccccc2C#N)cc1OC 3219515 DIOVGOTUBHOBDU-UHFFFAOYSA-N 354.362 2.300 30 40 FEEB CCc1nc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)[nH]c(=O)c1C#N 5239008 FFESGIVFVBZLSF-JTQLQIEISA-N 358.423 2.332 30 40 FEEB C=CCN1CCOCC2(CCN(C(=O)c3cn(C)nc3C(F)F)CC2)C1 585102468 UYHCBNPCOIQPES-UHFFFAOYSA-N 368.428 2.098 30 40 FEEB NC(=O)C1CCN(C(=O)CNc2cccc(C#Cc3cccs3)c2)CC1 29941083 CEIIUUAHGDJJFL-UHFFFAOYSA-N 367.474 2.284 30 40 FEEB N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 26227144 WOCZCBMUPRQPPP-LJQANCHMSA-N 367.380 2.186 30 40 FEEB CCCC(=O)Nc1ccc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1 7384856 QHWWKLDPFRXPQX-UHFFFAOYSA-N 352.394 2.353 30 40 FEEB Cc1ccc(CN2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 5342065 FCXXMGFSPXNMQU-WTIYMYMHSA-N 366.508 2.248 30 40 FEEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccccn2)CC1 6653617 TXHRKLSBXAFRIZ-UHFFFAOYSA-N 355.829 2.367 30 40 FEEB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCSC[C@H]1C#N)CC2 95460639 UWLKMEKEYJBXDA-WDEREUQCSA-N 370.400 2.376 30 40 FEEB COC(=O)[C@H](Nc1ccc(C)cc1)[C@@]1(O)OC(c2ccccc2)=CC1=O 16293144 RSTKEMBGEHGOAV-ICSRJNTNSA-N 353.374 2.278 30 40 FEEB O=C(/C=N/OCC(=O)N1CCc2ccccc2C1)Nc1ccc(F)cc1F 58406484 GASHKJKPYDTJDV-LSHDLFTRSA-N 373.359 2.491 30 40 FEEB Cc1nc(CN2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cs1 32761130 BBRWHNMOTBHHOV-UHFFFAOYSA-N 369.494 2.470 30 40 FEEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OC)c1 32904702 WBNJPVYGNASNJI-UHFFFAOYSA-N 374.418 2.190 30 40 FEEB O=C1C(=O)N(CCO)[C@H](c2ccncc2)/C1=C(\O)c1ccc(Cl)cc1 102690488 HGNKKYJVBAVLNZ-DPEHCCBOSA-N 358.781 2.149 30 40 FEEB O=C1C(=O)N(CCO)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccccc1 102797578 DRBCHVABALFKMA-SCDSTIRESA-N 368.345 2.009 30 40 FEEB COC(=O)[C@@H]1C/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 644729 GGSGBNVVRSNKAC-LZICOFPGSA-N 372.446 2.413 30 40 FEEB COc1ccc([C@@H](CN/C(N)=N/C[C@H]2CCCO2)N2CCCCC2)cc1 58193459 RLJQDNAZEWVQPH-RTBURBONSA-N 360.502 2.306 30 40 FEEB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccc2C#N)C1 48331697 YNMAJFOHFRSEPM-GDBMZVCRSA-N 363.483 2.264 30 40 FEEB CC1CCC2(CC1)NC(=O)N(CN(CCC#N)Cc1cccnc1)C2=O 12970798 WWFHJCSCXTZWRV-UHFFFAOYSA-N 355.442 2.255 30 40 FEEB COCCN(Cc1ccccc1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 13987476 LVBCTYATTJWNAB-UHFFFAOYSA-N 367.449 2.471 30 40 FEEB CN(C)c1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533067 JHYBKXHVKUFWCL-WRFANHODSA-N 368.437 2.338 30 40 FEEB N#Cc1cnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)c(Cl)c1 1889098086 KQLGUDASCDMMNG-ZDUSSCGKSA-N 350.875 2.398 30 40 FEEB COCc1cc(C)nc(SCc2nc(-c3nonc3C)n[nH]2)c1C#N 78546436 CTLGWFSBZXJMPO-UHFFFAOYSA-N 357.399 2.177 30 40 FEEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCn2ccnc2)cc1 847077 GQSAZGXNZMGMJC-KRWDZBQOSA-N 355.394 2.266 30 40 FEEB CN(CCC(=O)Nc1sccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 24170328 MUJBVXZICSXQDA-UHFFFAOYSA-N 367.434 2.317 30 40 FEEB COc1cc(OC)c(NS(=O)(=O)c2ccc(C#N)cc2)c(C(=O)O)c1 58268661 DMNHHZLQLVTDTD-UHFFFAOYSA-N 362.363 2.074 30 40 FEEB C=C(C)C[C@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4028914 BMKMRTFBOUSADG-XFEYQPKCSA-N 355.390 2.401 30 40 FEEB biogenic COC(=O)/C(CC(=O)c1cccs1)=N\Nc1nc(=O)[nH]c2ccccc12 14162605 MQSHJEBQOQBDFG-NDENLUEZSA-N 370.390 2.199 30 40 FEEB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)S/C(=N/N=C/c2ccco2)N1 9329498 IOVLFZXNEIGECK-VVSAQIQQSA-N 360.370 2.369 30 40 FEEB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1/N=C/c1c(Cl)cccc1Cl 9546906 LORUPXIIOJNQSW-LYWBVARKSA-N 364.279 2.476 30 40 FEEB CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1889186350 DRMNQZNESXHHKS-UHFFFAOYSA-N 356.451 2.243 30 40 FEEB N#Cc1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 5298860 YLGBCPZQYJPRSM-LLVKDONJSA-N 367.477 2.473 30 40 FEEB O=S(=O)(/N=C(\O)COC1CCCC1)c1cncc(Br)c1 49135865 SLJQJQKQSAZBQE-UHFFFAOYSA-N 363.233 2.449 30 40 FEEB C=CCc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(OCC)c1OC 6354880 BKHCFYZEQGCBQJ-BQYQJAHWSA-N 373.365 2.278 30 40 FEEB N#Cc1c(F)cccc1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 65489583 PTQCFZMEIDJOHM-CYBMUJFWSA-N 355.369 2.434 30 40 FEEB CNC(=O)N(O)[C@H]1N(/N=C/c2ccccc2O)C(=S)SC1(C)C 4795080 DYTIFCLMZKNCDC-FNQVVVRFSA-N 354.457 2.195 30 40 FEEB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@](C)(C#N)C(C)C)C1=O 8943586 JVZAKJHAMCENPG-WOJBJXKFSA-N 370.453 2.288 30 40 FEEB COc1cc(/C=N\n2cnnc2)ccc1OCC(=O)Nc1cccc(C)c1 409006735 KMLAQSGLOQKKRU-YVNNLAQVSA-N 365.393 2.495 30 40 FEEB C=CCOc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC 409049985 ZENOGQZDVHWIQU-UXBLZVDNSA-N 353.172 2.203 30 40 FEEB C=C(C)CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36358894 NDDYHHUEGCYZDQ-IBGZPJMESA-N 371.437 2.045 30 40 FEEB COc1cc(/C=N\Nc2nnn[nH]2)cc(Br)c1OC(C)C 35189330 WRUXIASXHOHACY-NSIKDUERSA-N 355.196 2.204 30 40 FEEB O=C1NC(=O)N(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[C@H]1O 1567921 VEVCGFUNQDTPCR-WJXQYMNISA-N 354.149 2.458 30 40 FEEB Cc1cc(C)n(/N=C2/C(=O)Nc3ccc(Br)cc32)c(=O)c1C#N 936072 GNGHJEBLBIOYQO-UHFFFAOYSA-N 371.194 2.304 30 40 FEEB C#CCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 58014288 JXKGLJWIHUBISI-UHFFFAOYSA-N 372.446 2.266 30 40 FEEB Cc1ccc(/C=N\Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)cc1 36640494 AHRYJXFSBXDVCA-JAIQZWGSSA-N 368.441 2.224 30 40 FEEB N#CCCCS(=O)(=O)N1CCN(c2cccc(Br)c2)CC1 284740213 SWBVLIRFOUWIDW-UHFFFAOYSA-N 372.288 2.205 30 40 FEEB O=C1Nc2cc(C(=O)O)ccc2N/C1=C\C(=O)c1ccc2c(c1)OCO2 6733643 VMGCEDMZBNMPKB-QPEQYQDCSA-N 352.302 2.244 30 40 FEEB Cn1cc([C@H]2[C@@H]3C(=O)CC(C)(C)C[C@@H]3O[C@@H](N)[C@H]2C#N)c(C(F)(F)F)n1 408717934 WBTSJQZSYFGMKH-DGFDXLHMSA-N 370.375 2.351 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 5516189 PDXHWEYEOZMVCB-LQTLPLJTSA-N 358.872 2.351 30 40 FEEB C#CC[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)C(N)=O 89261430 VPEUMEBRCOCUNN-KRWDZBQOSA-N 363.392 2.436 30 40 FEEB C=CCNC(=O)N1C[C@@H]2Oc3ccc(C(F)(F)F)cc3C(=O)N(C)[C@@H]2C1 514288685 RYCPSVCNUIIAGM-OCCSQVGLSA-N 369.343 2.118 30 40 FEEB biogenic,in-vitro CN(Cc1cccc(Br)c1)C1CN(c2nccnc2C#N)C1 1776007843 HPHAASBGFFJWRC-UHFFFAOYSA-N 358.243 2.431 30 40 FEEB COC(=O)c1ccc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)cc1 58202431 DJCXWPPKYRKTET-HXUWFJFHSA-N 363.373 2.312 30 40 FEEB C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 9324299 YMYATQGYPUWRMP-UXBLZVDNSA-N 366.826 2.170 30 40 FEEB Cc1cc(C)c(C#N)c(OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 3051052 KUCBUDIUXBTWSJ-UHFFFAOYSA-N 359.407 2.040 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 13001221 GEKDFOQLSQKJFT-UHFFFAOYSA-N 353.378 2.393 30 40 FEEB C=C(C)Cn1c(=O)n(CC(=O)OCC)c(=O)c2c3c(sc21)CCCC3 6756333 MOGMANXGBSQYID-UHFFFAOYSA-N 362.451 2.243 30 40 FEEB CC1CCC2(CC1)NC(N1CCN(c3ccccc3)CC1)=NC(=O)[C@@H]2C#N 20101718 JWASZKHEVCPSNN-JGCRXCKMSA-N 365.481 2.383 30 40 FEEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408537623 WKALDIYSUFBKOF-APYUEPQZSA-N 355.394 2.281 30 40 FEEB NC(=O)COc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 409222203 BBFGEOLKBJVWGK-UHFFFAOYSA-N 366.417 2.252 30 40 FEEB CCOC(=O)[C@]1(C#N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218188752 VMZGUXZAYLUGGS-OBJOEFQTSA-N 372.240 2.033 30 40 FEEB FC(F)(F)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 3145717 WDJKNQBWAYOULB-UHFFFAOYSA-N 373.175 2.487 30 40 FEEB CC(C)c1nc(C#N)c(N2CCC(C(=O)Nc3c[nH]ccc3=O)CC2)o1 32071450 ZEYDEDUUBPHULA-UHFFFAOYSA-N 355.398 2.213 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)[C@H]1Cc2ccccc2C(=O)O1 42105726 ANWUHHBKBAZVEK-QGZVFWFLSA-N 353.353 2.007 30 40 FEEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CC(=O)O)cc1 103520218 VFGFHYGTCSMMSO-GROYHEBESA-N 367.357 2.202 30 40 FEEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OCC)c2)C(=O)NC1=S 1201235 JJFXYLSJFUTTLN-UXBLZVDNSA-N 366.826 2.257 30 40 FEEB Cc1nc2ncnn2c(C)c1CCC(=O)N(CCC#N)Cc1ccco1 58209261 DJAWWYVIMTZYGX-UHFFFAOYSA-N 352.398 2.209 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32502852 BJZIXEKHKHOZPU-GGNAOWBESA-N 370.471 2.473 30 40 FEEB N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@H]3CC3(F)F)C2=O)cc1 598654378 FIJLXCFPVUVQPK-LSDHHAIUSA-N 362.380 2.004 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 101314664 UHTIKIKQFBTNAJ-GGNAOWBESA-N 368.455 2.146 30 40 FEEB Cc1cccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1C 101310698 PYWBTLKBGTUJMS-WPIBOPBSSA-N 364.492 2.315 30 40 FEEB C=CCN(CC(=O)NC1CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 6543541 QMYDXTZGQOITJL-UHFFFAOYSA-N 362.373 2.161 30 40 FEEB COc1ccc(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cn1 409228689 CPAODGJYIYRLKY-NDENLUEZSA-N 355.394 2.078 30 40 FEEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 408534175 LPKMPYSSBQQYGO-INIZCTEOSA-N 367.361 2.305 30 40 FEEB CC1(C)CC(=O)[C@@H]2[C@H](C1)O[C@H](N)[C@@H](C#N)[C@@H]2c1cnn(CC(F)F)c1 408717933 SZKZKYLZPFYQEC-QJXWRWMASA-N 352.385 2.060 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c(OC)c1 222248316 HCKZNPLHWXTKAE-ARQSOEJMSA-N 352.390 2.091 30 40 FEEB CCOC(=O)C(=O)/C(=C\n1c(S)nc2cc(C)ccc21)C(=O)OCC 5499604 PAAFPUBFBJFOOY-PKNBQFBNSA-N 362.407 2.170 30 40 FEEB C=CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 2629036 XMCKCXJWGARIDJ-SECBINFHSA-N 365.846 2.460 30 40 FEEB O=S(=O)(N=C1NCN(C2CCCCCC2)CN1)c1ccc(F)cc1 22607965 ZTTTUJJQIJOOEP-UHFFFAOYSA-N 354.451 2.003 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)ccc1O 100231823 YTDUBYPQQWZWGR-OZNRZJMQSA-N 352.390 2.178 30 40 FEEB CCOc1ccc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)c(O)c1 4858191 MYUUTHOLRQRKJO-XDHOZWIPSA-N 357.414 2.172 30 40 FEEB N#C[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)NC12CCCCC2 9483720 MBQGPAUXYKHWDF-HNNXBMFYSA-N 369.444 2.276 30 40 FEEB COc1cc(CNCC#N)ccc1OCc1nnnn1-c1ccc(C)cc1 22108323 XDGMJOAULKXLOL-UHFFFAOYSA-N 364.409 2.172 30 40 FEEB N=C1S/C(=C\c2ccc(OCC(N)=O)cc2)C(=O)[C@H]1c1nccs1 138175095 DCAINOSDQKSXAQ-XRKISCQYSA-N 359.432 2.425 30 40 FEEB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5ccc(C#N)cc5)C[C@H]4C3)n1)CCC2 1888879326 QUGPYMFZWDATQF-QZTJIDSGSA-N 373.460 2.354 30 40 FEEB N#Cc1ccc(CN2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)cc1 585502633 WPKDAMOIFPHMOX-UHFFFAOYSA-N 374.448 2.213 30 40 FEEB COC(=O)c1ccc(/C=C2/C(=O)c3ccccc3S(=O)(=O)N2C)cc1 8991888 NVVVIXWHKPYMFY-PTNGSMBKSA-N 357.387 2.331 30 40 FEEB CN(CCC#N)C(=O)CSc1ncnc2c1cnn2-c1ccccc1 8771762 VYWQVCZRHNHSBW-UHFFFAOYSA-N 352.423 2.280 30 40 FEEB CC(C)CN1C(=O)/C(=N\NC(=S)NC[C@@H]2CCCO2)c2ccccc21 102976582 TXIACYXOXVJXTB-BPHPCYGNSA-N 360.483 2.036 30 40 FEEB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(CC#N)cc2)cc1 15029470 ORCWWWKBDHTOSG-UHFFFAOYSA-N 373.434 2.068 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)CCc2cccs2)c1 95361056 XADAVTLTWZEQTE-UHFFFAOYSA-N 373.477 2.430 30 40 FEEB Cc1cccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 75104579 OAMJIOMEWQZMHV-OAHLLOKOSA-N 359.426 2.345 30 40 FEEB COc1cccc(/C=N/Nc2ncccc2[N+](=O)[O-])c1O[C@H](C)C(=O)O 409231982 MIUSYQGSVVVOSP-SVXRXWARSA-N 360.326 2.296 30 40 FEEB C=CCn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 22712725 CNCRAYKKUAKNTP-UHFFFAOYSA-N 357.439 2.087 30 40 FEEB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ccccc1C#N 32808515 VTMIFQJSVLWBDC-INIZCTEOSA-N 358.467 2.368 30 40 FEEB COC(=O)CN(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1Cl 52864560 JIDJGNOLQOKUIB-UHFFFAOYSA-N 363.845 2.268 30 40 FEEB COc1cc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc(Cl)c1O 100301787 DOAZLJJZTAJMSX-ZFAYUMMQSA-N 372.808 2.441 30 40 FEEB N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 12912494 ZYPOZWVOZYWKKO-HNNXBMFYSA-N 353.407 2.127 30 40 FEEB Cc1cc(C)n(Cn2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C#N)n2)n1 13960297 JGRHHUAKQIMVKO-UHFFFAOYSA-N 365.353 2.234 30 40 FEEB C=CCn1c(N)cc(=O)nc1S[C@@H](CC)C(=O)Nc1ccccc1C#N 13945866 ORJPSLMTHKKKLX-AWEZNQCLSA-N 369.450 2.393 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32504646 DPDGBJDYAWCKRF-WXRSUEGYSA-N 370.471 2.473 30 40 FEEB Cc1cc(F)ccc1N1CCC[C@H](/N=C(/O)N2C[C@H]3COC[C@@H](C2)O3)C1 328725611 ZDQIWLWWLBAWSZ-YESZJQIVSA-N 363.433 2.117 30 40 FEEB COc1cc2c(cc1C/N=C(/O)N1CCOCC(F)(F)C1)O[C@@H](C)C2 329613680 DXRYUNUNZFZHST-NSHDSACASA-N 356.369 2.400 30 40 FEEB N#Cc1cnc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c(Cl)c1 1888852987 ILZWPCHTQFBLGT-OKILXGFUSA-N 352.781 2.232 30 40 FEEB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 2658004 FRVOTWWZORARTR-UHFFFAOYSA-N 369.446 2.013 30 40 FEEB Cc1cc(C)c(C#N)c(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1 6669897 MRLXHSFENDTGFJ-UHFFFAOYSA-N 357.391 2.421 30 40 FEEB Cn1c(C/N=C(/N)N2CCN(c3ccc(F)cc3)CC2)nc2ccccc21 97001206 VKFMDMZLQBCNJY-UHFFFAOYSA-N 366.444 2.349 30 40 FEEB C=CCn1c(SCC(=O)NC(=O)NC)nnc1-c1ccccc1Cl 36646229 RHKCQFSMSWCVIC-UHFFFAOYSA-N 365.846 2.332 30 40 FEEB C#CCCN1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 58268277 QZMRHLMTWWIHJI-UHFFFAOYSA-N 354.429 2.409 30 40 FEEB CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN(CCO)CCO)CC[C@@H]21 12658957 UTGGCPQMMNZKJB-VCOUNFBDSA-N 373.493 2.374 30 40 FEEB biogenic N#CCc1ccc(NC(=O)CNc2ccccc2SCC(N)=O)cc1 12527786 IAEYVGCPPGCDLE-UHFFFAOYSA-N 354.435 2.381 30 40 FEEB CC(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84370650 YHXANNRFPRKQLS-CYBMUJFWSA-N 364.452 2.222 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(F)c1 32635457 RODKDQNMPQCUIK-BLCHQYFCSA-N 356.444 2.146 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32634163 WZYARDGPBBDMMD-VTMPUIQDSA-N 370.471 2.473 30 40 FEEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@]2(C#N)C=O)cc1 218164194 XRCVMIFHAINYGN-QYZOEREBSA-N 369.398 2.372 30 40 FEEB CS(=O)(=O)Cc1cccc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2)c1 42250217 IQLWYABFKWXGMH-UHFFFAOYSA-N 371.411 2.064 30 40 FEEB N#C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2)N=C1c1ccc(Cl)cc1 255188282 JGUSHGPBSBHJOR-LBPRGKRZSA-N 360.826 2.351 30 40 FEEB CCC1(N2CCOCC2)CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 599071611 ZUSGJRRXMKBZHO-UHFFFAOYSA-N 374.460 2.484 30 40 FEEB N#CCCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 291773010 VYYMFEWFSHPLMY-UHFFFAOYSA-N 364.243 2.427 30 40 FEEB CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)N(C)CC#N 5413692 XWMDPOIDLYNCAD-HOTGVXAUSA-N 363.483 2.095 30 40 FEEB biogenic,in-vitro COc1ccc(S(=O)(=O)/N=C(\O)[C@H](NC(C)=O)C2CCCC2)cc1 48584416 DPAACEWQLTVLQF-OAHLLOKOSA-N 354.428 2.035 30 40 FEEB CC(C)(C)c1nnc(N/N=C/c2cc(Br)ccc2O)[nH]c1=O 27525691 FTPRRRAXWUTNCH-FRKPEAEDSA-N 366.219 2.377 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2)[C@H](C#N)C(=O)N3)CC1 72445294 NEMHICDAHOBYLO-LSDHHAIUSA-N 363.421 2.230 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C#N)C2=O)cc1 408529655 CVEMELUKWZVDEC-OAHLLOKOSA-N 362.345 2.168 30 40 FEEB Cc1cnc(OC[C@H]2CCCN(c3nc4c(cc3C#N)COCC4)C2)nc1 1776001310 KQHYQCCOIBWFHV-HNNXBMFYSA-N 365.437 2.420 30 40 FEEB N#CC1(NC(=O)CN2CCN(CCc3ccccc3)CC2)CCCCC1 25356065 YREOITQOFMRTFI-UHFFFAOYSA-N 354.498 2.189 30 40 FEEB C#CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58424290 QDQJSSPCZBFLIG-HNAYVOBHSA-N 361.436 2.395 30 40 FEEB CCNC(=S)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1 409374087 YMAKBHPHRNPPIR-QGMBQPNBSA-N 373.862 2.108 30 40 FEEB C#CCOc1ccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)cc1OCC 19532197 URPPULJFJAJNQI-UHFFFAOYSA-N 367.449 2.090 30 40 FEEB COc1ccccc1-n1cnnc1SCC(=O)N[C@](C)(C#N)C1CC1 6082091 PSTHJXBSSPWFNR-QGZVFWFLSA-N 357.439 2.176 30 40 FEEB C=CCn1c(N)cc(=O)nc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 11281992 VKNRKMDJHRZLGZ-JTQLQIEISA-N 355.423 2.101 30 40 FEEB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c1 6639678 YYKWLOGSENVWDK-AWEZNQCLSA-N 366.421 2.464 30 40 FEEB CS(=O)(=O)c1ccc2c(c1)sc1nc(C(F)(F)F)c(C#N)c(=N)n12 5067784 RGSAMJWXOCQTDM-UHFFFAOYSA-N 372.353 2.322 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 32507308 AAEUIHZGEPZYRU-KRGDBVFUSA-N 370.471 2.223 30 40 FEEB N#Cc1c(NC(=O)CN2CCN(c3ccccn3)CC2)sc2c1CCC2 39440616 JBZHCYPJWTWRHC-UHFFFAOYSA-N 367.478 2.264 30 40 FEEB CNS(=O)(=O)/N=C(/Nc1ccccc1)N(C)C(=O)Oc1ccccc1 255189394 PNUYLOWCCJIPEB-UHFFFAOYSA-N 362.411 2.050 30 40 FEEB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cc(C)c(C#N)cn1 597954744 MUWWIMPQFIAHKW-KBXCAEBGSA-N 353.426 2.376 30 40 FEEB N#CCN1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 20001439 XJJFIEXQPWFOGM-UHFFFAOYSA-N 364.449 2.345 30 40 FEEB CC(=O)C1(C(C)=O)C2=C(C(=O)C(Cl)=C(Cl)C2=O)N2C=CC=C[C@H]21 104205788 LWERNYFCHAFRFW-VIFPVBQESA-N 352.173 2.014 30 40 FEEB C[C@@H](c1nc2ccccc2s1)N1CCN(CC(=O)NCCC#N)CC1 27366557 VMUVLBBCHZDBDM-AWEZNQCLSA-N 357.483 2.005 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 4248254 GMAPHYUPNXKJNC-AWEZNQCLSA-N 369.396 2.413 30 40 FEEB COc1ccc(S(=O)(=O)NCC#CCN(C(C)C)C(C)C)cc1OC 75164553 SHRNZKXCXAIFTQ-UHFFFAOYSA-N 368.499 2.104 30 40 FEEB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3CCC#N)CC2=O)cc1 57986585 FKWJIFAGQPVWEO-HNNXBMFYSA-N 351.410 2.405 30 40 FEEB Cc1cnc(OC[C@@H]2CCCN(c3nc4c(cc3C#N)COCC4)C2)nc1 1776001311 KQHYQCCOIBWFHV-OAHLLOKOSA-N 365.437 2.420 30 40 FEEB COc1cc(C#N)ccc1OS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 19683770 QURUXPQNVWCAJF-UHFFFAOYSA-N 358.375 2.219 30 40 FEEB N#Cc1ccc(OCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc1 40042939 XBUROFCRKJKPIV-UHFFFAOYSA-N 367.390 2.126 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H](C)CCc2ccccc2)c1C#N 32776352 JISVHMOOWJRLED-GFCCVEGCSA-N 356.451 2.180 30 40 FEEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C(=O)N2CCCC2)CC1 32858080 DMEIRTCNEQXMCX-HNNXBMFYSA-N 354.454 2.220 30 40 FEEB N#CCOc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 23151058 CKHWQVLKMPWEQU-HOTGVXAUSA-N 355.394 2.093 30 40 FEEB Cc1ccc(S(C)(=O)=O)cc1/C(O)=N/S(=O)(=O)Cc1ccccc1 48595229 LFHRYSJAXJHCKC-UHFFFAOYSA-N 367.448 2.233 30 40 FEEB C=CCNC(=O)C(=O)NCC(=O)c1cc(C)n(CCc2cccs2)c1C 9154572 KTMUKUHOYNKRRB-UHFFFAOYSA-N 373.478 2.010 30 40 FEEB CCc1nnc2c(=O)n(CC(=O)Nc3ccc(C#N)cc3)c3ccccc3n12 64871587 GTFKINUMHVOPBI-UHFFFAOYSA-N 372.388 2.117 30 40 FEEB O=C1N=C(O)/C(=N\Nc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C(=O)N1 4159876 YFRQRXGFCDJMNW-UHFFFAOYSA-N 353.294 2.236 30 40 FEEB C=CCN1CCO[C@@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@@H]2C1 1565549926 JRVHQXYIBSZIJB-DNVCBOLYSA-N 355.438 2.106 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2)n(C)c1=O 4249374 BVNGPKRNLMMNBJ-UHFFFAOYSA-N 371.828 2.278 30 40 FEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2ncccn2)CC1 9576072 SMMNPDPPFUPEMQ-UHFFFAOYSA-N 362.393 2.003 30 40 FEEB N#Cc1cc2c(N)c(C(=O)NC3=N[C@H]4C=CC=C[C@H]4S3)sc2nc1N 39398400 GHSVPJJJQSKDKM-VHSXEESVSA-N 368.447 2.028 30 40 FEEB CCc1cc(N2CCN(c3nccc(C#N)n3)CC2)nc(C(C)(C)C)n1 1888859967 DEXPGCYOVAFHLY-UHFFFAOYSA-N 351.458 2.325 30 40 FEEB Cc1nc(N2C[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)nc(O)c1F 1888869765 LDFYZLAONWJPRZ-TXEJJXNPSA-N 374.807 2.122 30 40 FEEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(O)cc3O)cnc12 2370713 DOSPNSZMEITDHM-DNTJNYDQSA-N 350.334 2.180 30 40 FEEB Cc1csc([C@H](C#N)C(=O)CSc2nnnn2-c2ccccc2)n1 7745226 RKCKDHIQNYIQRX-GFCCVEGCSA-N 356.436 2.396 30 40 FEEB COc1ccc(/C=C/[C@@H]2C(C#N)(C#N)C(OC)(OC)C2(OC)OC)cc1 1585168 IRCJBAHQWUFZST-YCABEKBOSA-N 358.394 2.350 30 40 FEEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(F)cc3)c(=O)[nH]c12 9317692 ZXIRTBDDMYIYOI-AWQFTUOYSA-N 352.325 2.201 30 40 FEEB NC1=C(c2nc3ccccc3s2)C(=O)CN1/N=C/c1ccc(O)c(O)c1 9452651 SYEMDUWXNBPJGW-DNTJNYDQSA-N 366.402 2.254 30 40 FEEB C#CC[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)C(N)=O 89261432 VPEUMEBRCOCUNN-QGZVFWFLSA-N 363.392 2.436 30 40 FEEB COc1ccc2c3c1O[C@H]1[C@]4(OC)C=C[C@@]5(C[C@@H]4C#N)[C@@H](C2)N(C)CC[C@]315 1500940774 JWGQNJUNBCBJCO-KTDAGRSWSA-N 364.445 2.439 30 40 FEEB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc21 223032792 NAWYGPOXMNVDIN-UHFFFAOYSA-N 357.391 2.481 30 40 FEEB N#Cc1ccc(N2CCC[C@@H](NC(=O)c3onc4c3CCCC4)C2=O)cc1 597490417 YMXUSZAQCXLDFH-QGZVFWFLSA-N 364.405 2.350 30 40 FEEB C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/CO)CC(C)=CCC[C@@]1(C)O[C@@H]21 958317933 CQZUJMJORLOTCJ-ZXMLYKKUSA-N 362.422 2.222 30 40 FEEB Cc1ncnc(OC[C@]23CCC[C@@H]2CN(c2nccnc2C#N)C3)c1C 1888864227 VGGNZSGFNBRXTC-DNVCBOLYSA-N 350.426 2.441 30 40 FEEB CC(C)n1nc(CN2CCOCC2)c2c1CN(C(=O)C1(C#N)CCCC1)C2 1565554700 XMJXGJNLZUJEDQ-UHFFFAOYSA-N 371.485 2.222 30 40 FEEB C#CCn1/c(=N/C(=O)c2cccc(S(C)(=O)=O)c2)sc2ccccc21 101041919 UQOPZANLXURXMC-HNENSFHCSA-N 370.455 2.481 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 3015684 WXPUBDGSIBFQSB-UHFFFAOYSA-N 371.828 2.278 30 40 FEEB C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1-c1cccc(C)c1 5500265 QHGRHKOPTMPYHV-UHFFFAOYSA-N 374.466 2.211 30 40 FEEB Cc1nn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c(C#N)c1C 7441514 UQPHEOODIAWLEL-UHFFFAOYSA-N 366.299 2.269 30 40 FEEB COc1cccc(/C=N/Nc2ncccc2[N+](=O)[O-])c1O[C@@H](C)C(=O)O 409231981 MIUSYQGSVVVOSP-NTOSSWPYSA-N 360.326 2.296 30 40 FEEB C[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccnc1 573272354 CFIQKJHRGDBMTP-HNAYVOBHSA-N 362.433 2.364 30 40 FEEB COc1ccc(OC)c(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)c1 4857576 SWQNXGRJAHSTJS-XDHOZWIPSA-N 357.414 2.085 30 40 FEEB COCCNC(=S)N/N=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl 2646334 NFOJYNMUDIJWOS-DJKKODMXSA-N 369.853 2.418 30 40 FEEB COC(=O)c1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C#N)c(=O)n12 624468 ZIMMOLFWYLZAQB-UHFFFAOYSA-N 371.356 2.205 30 40 FEEB C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1N 3449019 NOPREBNBCKWHPY-UHFFFAOYSA-N 361.471 2.184 30 40 FEEB COc1ccc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)c(OC)c1OC 5625915 WKGXUKXCUJVXTP-CAOOACKPSA-N 374.426 2.173 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 226668964 RLGVJTSLMWJIQA-WHIQPSHPSA-N 351.362 2.290 30 40 FEEB NC(=O)c1ccccc1OCC#CCNC(=O)COc1ccc(Cl)cc1 90610519 LWJSIPGPQZFRAN-UHFFFAOYSA-N 372.808 2.016 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 101306638 GTVQPKCWCMUUMC-WPIBOPBSSA-N 366.508 2.330 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@]12C#N 102762242 KJCNTJWPQJELGD-NEWSRXKRSA-N 363.421 2.106 30 40 FEEB CC(C)=NOC1(ON=C(C)C)N=C(N)[C@]2(C#N)[C@H](C(=O)C(C)(C)C)[C@]12C#N 105106554 XIHJFXWXSRVLBY-ZLIFDBKOSA-N 372.429 2.101 30 40 FEEB C=CCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24981628 HEBLPXLKTWWNQV-CQSZACIVSA-N 358.438 2.043 30 40 FEEB Cc1cc(C)n2nc(C(=O)NCCSCc3ccccc3C#N)nc2n1 14245853 MIAYYELSNZGWBB-UHFFFAOYSA-N 366.450 2.276 30 40 FEEB N#Cc1c2c(cn(C[C@@H]3CN(Cc4ccccc4)CCCO3)c1=O)CCC2 562052653 OMCRVPNXCGIHIK-IBGZPJMESA-N 363.461 2.500 30 40 FEEB C=CCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O 40158920 WEJZVAGQAYIAJY-KBPBESRZSA-N 373.478 2.358 30 40 FEEB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C3(C#N)CC3)cc2)CC1 222612226 RCQGNQUOYDPYQL-UHFFFAOYSA-N 361.467 2.242 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(O)c(OC)c2)cc1 5408783 XPDZSXKFSHYFTE-INIZCTEOSA-N 355.346 2.275 30 40 FEEB biogenic,in-vitro CCn1cc(C#N)c(=O)n(Cc2ccc(C(=O)Nc3ccccc3)cc2)c1=O 8762440 WVMPCACGKRWIKX-UHFFFAOYSA-N 374.400 2.202 30 40 FEEB O=C(OCC#CCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4599690 HKBBVNWKXZIQFE-UHFFFAOYSA-N 359.359 2.229 30 40 FEEB CC[C@H](/C(O)=N/S(=O)(=O)N1CCC(C(=O)OC)CC1)c1ccccc1 52766443 BXDKMKVUIBRFTK-HNNXBMFYSA-N 368.455 2.267 30 40 FEEB N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2cccs2)CC1 240104264 UNUVFKOVDDDASI-HAQNSBGRSA-N 364.452 2.078 30 40 FEEB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N(C)C[C@@H](C)C#N)C(C)C)c1 45851794 VBVZELPTQFEBJQ-SUMWQHHRSA-N 361.442 2.076 30 40 FEEB Cc1noc(C)c1C/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 48535933 PIIUATJHSREZCK-UHFFFAOYSA-N 366.395 2.341 30 40 FEEB N#Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccccc2)cc1 14094436 RJYCWRVKNDOGFK-UHFFFAOYSA-N 355.419 2.032 30 40 FEEB C#CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 14093166 KWDSECHANUJLKH-HNNXBMFYSA-N 350.418 2.450 30 40 FEEB C=CCSc1nnc(NC(=O)Cn2c(=O)n(C)c3ccccc32)s1 14107788 DFHUALXACWUYJS-UHFFFAOYSA-N 361.452 2.108 30 40 FEEB CCc1nc(C/C(O)=N/S(=O)(=O)c2ccccc2C(=O)OC)cs1 65763615 AGQGHDKHOLLEOR-UHFFFAOYSA-N 368.436 2.380 30 40 FEEB C=CCN1C(=O)N/C(=C\c2cc3c(cc2Br)OCO3)C1=O 4691476 WGRXDSUXQDVYQW-WMZJFQQLSA-N 351.156 2.257 30 40 FEEB COc1ccc(C/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)cc1OC 48496837 GNRIOSADGGWAPM-UHFFFAOYSA-N 360.391 2.463 30 40 FEEB Cc1ccccc1OCCCN1C(=O)/C(=N\NC(N)=S)c2ccccc21 46085175 GHTXGVQTYZRXES-FXBPSFAMSA-N 368.462 2.348 30 40 FEEB O=[N+]([O-])c1cc(/C=N/NC(=S)N[C@H]2CN3CCC2CC3)ccc1Cl 1657171 QAEPWEWYYUOSQG-TVYFDWKESA-N 367.862 2.140 30 40 FEEB NC(N)=NN=C(/C=C\c1ccc([N+](=O)[O-])o1)/C=C\c1ccc([N+](=O)[O-])o1 31361237 XQCFHQBGMWUEMY-CCAGOZQPSA-N 360.286 2.045 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccncc1 104232167 KAFJCRVCMYAPAS-DPEHCCBOSA-N 357.435 2.126 30 40 FEEB C[C@@H](OC(=O)CN(C)c1ccc(C#N)cn1)C(=O)Nc1c(F)cccc1F 52261809 PEFMTNUMIAXSFH-LLVKDONJSA-N 374.347 2.238 30 40 FEEB O=C1C(=O)N(CCO)[C@H](c2ccc(O)cc2)/C1=C(\O)c1ccc(Cl)cc1 102803309 MDSXWIVCDNJVOE-IBOXJLQUSA-N 373.792 2.460 30 40 FEEB COc1ccc(/N=C/c2c(NCCO)nc3c(C)cccn3c2=O)cc1 101152850 PQFVFJMXUIBNTR-CIAFOILYSA-N 352.394 2.166 30 40 FEEB Cc1c(C#N)c(NC(=O)CN2CCN(C)CC2)n(Cc2ccccc2)c1C 22817073 XCPHWBZLPQROTI-UHFFFAOYSA-N 365.481 2.211 30 40 FEEB N#Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 23786806 QYTDAYZNDFNQQA-UHFFFAOYSA-N 363.417 2.287 30 40 FEEB Cc1nn(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)c(=O)c(C#N)c1C 12925303 ADDFRXRFKHBDDY-MRXNPFEDSA-N 355.438 2.469 30 40 FEEB Cc1ccc(/C(O)=N/S(=O)(=O)Cc2ccccc2)cc1S(C)(=O)=O 48597432 NXPZHKRQQCGIAG-UHFFFAOYSA-N 367.448 2.233 30 40 FEEB C#CCN1CCC[C@H]1C(=O)Nc1ccc(-n2nncc2C(F)(F)F)cc1 72277463 JAMDAALZUUIDLV-AWEZNQCLSA-N 363.343 2.322 30 40 FEEB CN(C)c1oc(-c2ccc(S(=O)(=O)N3CCCCC3)o2)nc1C#N 71285903 KUGFPHNCBXETJN-UHFFFAOYSA-N 350.400 2.047 30 40 FEEB N#Cc1nc([C@@H]2C[C@@H]2c2cccc(F)c2)oc1N1CCN(C(N)=O)CC1 1775975314 HBKNILGXUNJHRQ-ZIAGYGMSSA-N 355.373 2.157 30 40 FEEB N#Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](C(=O)NC3CCCC3)C2)c1 575403051 FXELTQVZOMOBIN-GOSISDBHSA-N 363.421 2.011 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(O)c(OC)c2)cc1 5408793 XPDZSXKFSHYFTE-MRXNPFEDSA-N 355.346 2.275 30 40 FEEB biogenic,in-vitro N#Cc1c(NC(=O)CSc2nc(N)cc(N)n2)sc2c1CCCC2 4126541 TVEWJJPHYQIJIY-UHFFFAOYSA-N 360.468 2.184 30 40 FEEB CCc1cccc(CC)c1N1/C(=N\C(C)=O)S[C@H]2CS(=O)(=O)C[C@@H]21 101317162 CPRPPRMLCKNNJE-NHYXNVPJSA-N 366.508 2.433 30 40 FEEB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccccc2)n2ncnc2N1 102420628 CCILDWYJCKCBCC-OAHLLOKOSA-N 350.334 2.196 30 40 FEEB CN(C(=O)CN1CCN(c2ccccc2O)CC1)C1(C#N)CCCCC1 57312670 OCZXSEXZWUFNHS-UHFFFAOYSA-N 356.470 2.199 30 40 FEEB COc1cccc(/C=C/c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)c1 8494489 MGHDPTVMQUHBHY-AATRIKPKSA-N 352.394 2.427 30 40 FEEB aggregator COCCN(CCOC)C(=O)CSc1nc(C)c(C)c(C)c1C#N 5172387 LWWXCJBDTOZQOZ-UHFFFAOYSA-N 351.472 2.092 30 40 FEEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)C1CC1 5270129 JJTZOTSSFWENJK-TWWIOWFMSA-N 370.883 2.351 30 40 FEEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCC(=O)OC 409099575 OOHIWZFGXWPDMK-VXLYETTFSA-N 374.353 2.386 30 40 FEEB N#Cc1ccnc(OC[C@@H]2CCCN(c3cc(=O)n4ccccc4n3)C2)c1 1776007972 PQDSWFRUEBHOOM-MRXNPFEDSA-N 361.405 2.257 30 40 FEEB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(Cc2ccccc2C#N)C1 2055750808 ZVNKMSJBKUOUEC-HXUWFJFHSA-N 352.413 2.500 30 40 FEEB C[C@H]1C[C@@H](C)CN(CCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 40110353 BSPSECGNRGDNHD-CALCHBBNSA-N 369.513 2.264 30 40 FEEB O=C1C(Br)=C[C@H]2[C@H]1[C@@H]1C=C[C@]2(Br)C12OCCO2 100587844 CWLJXBQYHGTEDC-RHXIMWGOSA-N 362.017 2.157 30 40 FEEB Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@H]2COc3ccccc3O2)n1 6606075 YCKODBVUPSKYRW-NHYWBVRUSA-N 358.375 2.011 30 40 FEEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OC)=C(C)N2 4292277 LUEPBVGZKGMYMO-ZDUSSCGKSA-N 370.434 2.447 30 40 FEEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6671910 YXMAGCHSAOVBEC-QWHCGFSZSA-N 366.464 2.066 30 40 FEEB N#CCCN(C(=O)CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 8748357 HLBVAEGMBYGKLM-UHFFFAOYSA-N 367.428 2.290 30 40 FEEB COc1cccc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1Cl 594897249 LBQXHXNJZWEKSE-UHFFFAOYSA-N 373.840 2.262 30 40 FEEB CSc1ncc(C#N)c(N2CCC[C@H](COc3ncc(C)cn3)C2)n1 1889108841 IVCZTMYNDXKZCL-ZDUSSCGKSA-N 356.455 2.464 30 40 FEEB Cc1nc(N2CCN(Cc3ccc(C#N)cc3)CC2)cc(-n2cccn2)n1 1889186331 QGPKEIIJUVZUBQ-UHFFFAOYSA-N 359.437 2.165 30 40 FEEB Cc1ccc(-c2ncc(C#N)c(=O)n2CC(=O)NCc2ccccc2)cc1 15829768 VKZQISAVUKZOFI-UHFFFAOYSA-N 358.401 2.407 30 40 FEEB CCOC(=O)Cc1csc(SCC(=O)N[C@@](C)(C#N)C(C)C)n1 7507742 OPNHVPYFXCWBIZ-HNNXBMFYSA-N 355.485 2.395 30 40 FEEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(OCC)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908892 XQFSBGIWVHRTNS-RIFZZMRRSA-N 372.421 2.298 30 40 FEEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3nnnn32)ccc1OC(F)F 32667905 MRLBPBVSRNWPDD-AWEZNQCLSA-N 363.324 2.305 30 40 FEEB C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC(C)C 32777042 NUGBHHKWIRAHGW-UHFFFAOYSA-N 351.520 2.109 30 40 FEEB N#Cc1ccccc1S(=O)(=O)NCc1ccc(NC(=O)C2CC2)cc1 10670476 HLFIWAMZNSMBSX-UHFFFAOYSA-N 355.419 2.385 30 40 FEEB COC(=O)c1sccc1S(=O)(=O)/N=C(\O)c1ccccc1OC 48512291 VJYSOFNHDVWZEK-UHFFFAOYSA-N 355.393 2.237 30 40 FEEB N#Cc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 7384364 KFBLGBKEJRQUOV-UHFFFAOYSA-N 350.403 2.457 30 40 FEEB COc1c(Br)cc(/C=N/NC(N)=S)cc1Br 408759214 ZVDKECAJLMIISU-YIXHJXPBSA-N 367.066 2.387 30 40 FEEB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)cc1 226044352 YOWGTZGPTMBFGS-UHFFFAOYSA-N 373.434 2.216 30 40 FEEB COc1ccccc1OCCN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])ccc21 46084786 FWMQPSJJLHREDA-VLGSPTGOSA-N 357.322 2.207 30 40 FEEB N#Cc1ccc(OCCNC(=O)N2CC[C@H](C(F)(F)F)[C@H](CN)C2)cc1 599918802 KYRTVQIPVYGKCV-HIFRSBDPSA-N 370.375 2.106 30 40 FEEB Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](O)C2)n(Cc2ccccc2)c1C 32797153 JFUOQLPKFYLHCZ-GOSISDBHSA-N 366.465 2.420 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(Cc2cccc(OCC(F)(F)F)c2)c1 57502626 RKOBLNLFSWYZIC-UHFFFAOYSA-N 366.295 2.496 30 40 FEEB C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1CC(F)(F)F 58209278 FKKYWQBNVYHGEJ-SNVBAGLBSA-N 369.372 2.132 30 40 FEEB C=CCc1ccc(OCC(=O)NCc2c(C)cc(C)[nH]c2=O)c(OC)c1 12919754 BVZVQAOEAYSHHN-UHFFFAOYSA-N 356.422 2.424 30 40 FEEB Cc1c(N/N=C2\C=CC(=O)c3cccnc32)c(=O)n(-c2ccccc2)n1C 4183818 ILPPUCLTHDDDBU-CJLVFECKSA-N 359.389 2.448 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 4689586 QLPFUBDZDNNNSD-UXBLZVDNSA-N 353.172 2.242 30 40 FEEB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 19310260 PRIYZIPZRHXBDI-UHFFFAOYSA-N 355.847 2.212 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C/N[C@@H](CC)Cc2c[nH]c3ccccc23)C1=O 19943244 AFGPOBMSOGZVCB-QXPQOBGOSA-N 366.421 2.227 30 40 FEEB COc1cccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1OC 222370039 XMHDEEIHFNLZDA-CAVSNOCZSA-N 352.390 2.091 30 40 FEEB Cc1nnc(N/N=C/c2cc(Br)ccc2Br)n1N 98086402 NLGGXLHIEATHSM-LHHJGKSTSA-N 374.040 2.271 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(C(=O)CSc4ccncc4)C[C@@H]3C2)nc1 1888866566 OUGZGHPJYSTNTF-HOTGVXAUSA-N 365.462 2.035 30 40 FEEB C=CCO[C@H]1CCN(C(=O)Cn2ccccc2=O)[C@H]1Cc1ccccc1 2055718030 WOTAXAHNAFQJEF-OALUTQOASA-N 352.434 2.263 30 40 FEEB COc1cc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC 21354049 IAZPBDBNNQCVJJ-UHFFFAOYSA-N 371.393 2.001 30 40 FEEB COc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(O)c1 31404118 MVOYFDGOTWDNKE-UHFFFAOYSA-N 355.369 2.374 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 101312356 DOBCAZWFPRDXNS-OVZRNVPMSA-N 352.481 2.397 30 40 FEEB COc1ccc(CCNc2nc(N)c(C#N)c(CC#N)c2C#N)cc1OC 25355176 PTFQGFIJNMUNIV-UHFFFAOYSA-N 362.393 2.145 30 40 FEEB C[C@@H](Sc1nnc(-c2ccccc2)n1N)C(=O)NC1(C#N)CCCCC1 3445040 YMBCJPREHXVTOD-CYBMUJFWSA-N 370.482 2.482 30 40 FEEB COc1cc(/C=N/OCC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1OC(F)F 6048714 XALZXPDPTCOXQP-CGQDUIGASA-N 372.368 2.283 30 40 FEEB CC(C)(C)OC(=O)N[C@@]1(C=O)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218005918 HGKCKJHNKGKERB-IUODEOHRSA-N 359.831 2.348 30 40 FEEB C=CCCc1ccccc1NC(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 585101399 HHCQXLVKWNWRGK-UAGQMJEPSA-N 364.467 2.081 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 5573022 WLPBEPHDACUUEX-OVZRNVPMSA-N 352.481 2.084 30 40 FEEB COC1(CC(=O)N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CCC1 1565549929 JSDQLDQUEXJCDX-FQEVSTJZSA-N 367.449 2.473 30 40 FEEB C#CCn1/c(=N\C(=O)c2nn(C)cc2C)sc2c(OC)ccc(OC)c21 101135103 NIULOTXPPXQRBW-VHEBQXMUSA-N 370.434 2.136 30 40 FEEB Cc1nn(C[C@H](O)c2ccc(OC(F)(F)F)cc2)c(=O)c(C#N)c1C 51293708 VVRKSGHZTCGCBG-AWEZNQCLSA-N 353.300 2.364 30 40 FEEB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3N3CCCN23)cc1 102681792 BEKUHNVFELTGNQ-XUVXKRRUSA-N 372.428 2.402 30 40 FEEB CCCCn1cnc2c1c(=O)n(Cc1ccc(C#N)cc1)c(=O)n2CCC 14356213 CHADNYQVCPXIGS-UHFFFAOYSA-N 365.437 2.490 30 40 FEEB C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 4936622 CAZXRAWUPLEPOU-UHFFFAOYSA-N 371.466 2.396 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225670729 AAMZJKGABLTRPA-CKEIUWERSA-N 371.430 2.189 30 40 FEEB Cc1cnc(Nc2cc(C(=O)N3CC=C(CCC(=O)NO)C3)ccn2)s1 2037850007 GXSZDEURDRKSPS-UHFFFAOYSA-N 373.438 2.258 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@]12C#N 100196604 PAVLOZGXEKMXSF-BNOWGMLFSA-N 351.193 2.428 30 40 FEEB C#CC(CC)(CC)NC(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 14182682 MWYQWOSUFDNFPW-FQEVSTJZSA-N 373.428 2.291 30 40 FEEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(Cc4ccc(F)cc4)c3nc12 6809445 VAYZHZKCXHLPKO-UHFFFAOYSA-N 360.348 2.377 30 40 FEEB C=CCN1C(=O)[C@@](NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1 19939471 SVMNKKANYGDMAI-MRXNPFEDSA-N 351.328 2.246 30 40 FEEB COc1ccc(/C(N)=N/OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 36394979 JPLPRHRTZMMPOE-UHFFFAOYSA-N 357.454 2.417 30 40 FEEB COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@H]1c1ccc(C#N)cc1 1070136 BYMYTRUNAVIGHG-OAHLLOKOSA-N 356.378 2.241 30 40 FEEB C=CC/N=C1\S/C(=C/N(C)C)C(=O)N1S(=O)(=O)c1ccc(C)cc1 31907719 RPASYDYGMNPVTN-ONKHVRGJSA-N 365.480 2.204 30 40 FEEB C=CCN1C(=O)[C@](O)(c2sc(N3CCOCC3)nc2C)c2ccccc21 3289524 CVDHYEMGSBJVGX-LJQANCHMSA-N 371.462 2.057 30 40 FEEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 13590104 YXLKLPXMYWXKSZ-CYVLTUHYSA-N 367.321 2.484 30 40 FEEB NC(=S)/C(=N\Nc1ccc(Br)cc1)C(=O)N1CCCC1 4477722 DBHZOBZTHRHDPO-GZTJUZNOSA-N 355.261 2.126 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(CC)cc1 408709246 QQMZPYBYCVRWOC-UHFFFAOYSA-N 365.433 2.420 30 40 FEEB O=C(COc1ccccc1F)NCC#CCOc1ccc2c(c1)OCO2 90730789 AOULQFZBVVHRJF-UHFFFAOYSA-N 357.337 2.132 30 40 FEEB N#Cc1ccc(OCCNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CN)C2)cc1 599918803 KYRTVQIPVYGKCV-UKRRQHHQSA-N 370.375 2.106 30 40 FEEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1 64099764 HVNRSVKIFVKPNL-OCCSQVGLSA-N 352.412 2.178 30 40 FEEB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(O)=N/c2cccc3n[nH]nc23)c([N+](=O)[O-])c1 97966191 RPDQDVZIFXKNRO-UHFFFAOYSA-N 373.241 2.319 30 40 FEEB CCN(CC)CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12 20112201 USZGBQNPODHPSE-KFYPDWBNSA-N 364.530 2.443 30 40 FEEB biogenic N#Cc1ccccc1CS(=O)(=O)NC(=O)COc1ccc2c(c1)CCC2 42306211 HZYKROVYQLUNDY-UHFFFAOYSA-N 370.430 2.072 30 40 FEEB C#CCNC(=O)CCNC(=O)NCc1cccc(COC2CCCCC2)c1 72277847 FARXOZQVADJTSM-UHFFFAOYSA-N 371.481 2.475 30 40 FEEB CN1/C(=C(/O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O 49089868 OXROWJKCGCOJDO-JLHYYAGUSA-N 371.827 2.453 30 40 FEEB world N#CC1(CNS(=O)(=O)c2cccnc2OCC(F)F)CCCCC1 585123401 CFMPOOWDMOSIEX-UHFFFAOYSA-N 359.398 2.478 30 40 FEEB COC(=O)c1ccccc1NC(=O)CO/N=C/c1cccc([N+](=O)[O-])c1 3296719 LLBLUEATUWYYQN-VCHYOVAHSA-N 357.322 2.371 30 40 FEEB COC(=O)c1nc(O)c(C#N)c(C(=O)OC)c1C(=O)/C=C\c1ccccc1 17142300 SMXWYSHIDVJXPE-HJWRWDBZSA-N 366.329 2.128 30 40 FEEB COc1ccc(C(=O)C/C(=N/NC(N)=S)C(=O)Nc2ccccc2)cc1 17195685 HIPLHCBZZSISRU-QNGOZBTKSA-N 370.434 2.096 30 40 FEEB COC(=O)Cc1cc(O)nc(/N=C(\N)Nc2cccc3ccccc23)n1 20028207 XYMMOJDWIDWXDS-UHFFFAOYSA-N 351.366 2.109 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1F 101314659 UHTIKIKQFBTNAJ-KRGDBVFUSA-N 368.455 2.146 30 40 FEEB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)C1=O 102615547 HKIOCZJNXCCSMO-SXWSKBOKSA-N 369.289 2.212 30 40 FEEB CCOCCCNC(=O)/C(=C/c1ccc(C#N)cc1)n1ccccc1=O 23343320 BJCZRSJXMYUIHX-JXAWBTAJSA-N 351.406 2.261 30 40 FEEB C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)N1CCc2sccc2C1 26839757 SBLSEXDWJLXGDH-CYBMUJFWSA-N 361.492 2.345 30 40 FEEB C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 17322109 XKNSVPUGCKHPMM-UHFFFAOYSA-N 356.447 2.349 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408533217 JQNGRUNUJDZYTA-AMHYXFAZSA-N 355.394 2.154 30 40 FEEB COc1cc([C@H]2N[C@H](C(=O)O)CS2)cc(Br)c1OCC#N 96580188 VQQFVGKKWRKBOP-CABZTGNLSA-N 373.228 2.148 30 40 FEEB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(C#N)cc5)C[C@H]4C3)n1)CCC2 1888879325 QUGPYMFZWDATQF-HDICACEKSA-N 373.460 2.354 30 40 FEEB C=CCCNC(=S)NC(=O)c1cccc(I)c1 6692221 MXVAEKGOWFUSMN-UHFFFAOYSA-N 360.220 2.472 30 40 FEEB N#CCCN(Cc1ccco1)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O 12976212 LZQLETNENMAHLE-UHFFFAOYSA-N 372.425 2.167 30 40 FEEB COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)cc1 14331986 BNCQEMUDMMOFLQ-UHFFFAOYSA-N 372.450 2.227 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1ccccn1 5799869 QQUMZYCTMGUMCU-GROYHEBESA-N 369.396 2.204 30 40 FEEB O=c1[nH]c2c([nH]c3ccc(Cl)cc32)c(=O)n1/N=C/c1cccc(O)c1 9353108 VIPJDROFIFNNDF-UFWORHAWSA-N 354.753 2.412 30 40 FEEB C=CCNC(=O)COC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 9316136 JEGYMHJUTCKBIT-UHFFFAOYSA-N 364.199 2.298 30 40 FEEB C#C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C1CCOCC1 583651374 KOYODEDXWWBISJ-MRXNPFEDSA-N 352.438 2.312 30 40 FEEB N#Cc1nc([C@H]2C[C@@H]2c2cccc(F)c2)oc1N1CCN(C(N)=O)CC1 1775975312 HBKNILGXUNJHRQ-KGLIPLIRSA-N 355.373 2.157 30 40 FEEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc1N 18240418 PJNHMKYTWWVWOA-UHFFFAOYSA-N 354.351 2.046 30 40 FEEB C#CCN1C(=O)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc21 1889030608 VCOVXUDEXSBKNQ-UHFFFAOYSA-N 372.402 2.472 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 101314782 ZMTMOUIRPABKMS-GGNAOWBESA-N 370.471 2.392 30 40 FEEB N#Cc1ccccc1N1CCCN(C(=O)[C@H]2COc3ccccc3O2)CC1 46849661 CWYPPCJGESKVFO-HXUWFJFHSA-N 363.417 2.437 30 40 FEEB CCCn1nc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1=O 24506362 JYEDIYGUTPBGQI-UHFFFAOYSA-N 363.339 2.454 30 40 FEEB Cc1nn(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c(=O)c(C#N)c1C 57089509 IWJYCRMUEDZACQ-QGZVFWFLSA-N 358.829 2.416 30 40 FEEB CCOC(=O)[C@]1(CCC(C)C)C[C@@](C)(C(=O)C[n+]2ccccc2)OC1=O 1743557 CDQRNCFTFIEAEK-PMACEKPBSA-N 362.446 2.235 30 40 FEEB CCOC(=O)Cc1csc(NC(=O)CSc2ncccc2C#N)n1 10231654 BYPSPDLCIMGZJD-UHFFFAOYSA-N 362.436 2.246 30 40 FEEB N#C[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)NC12CCCCC2 9504988 MBQGPAUXYKHWDF-OAHLLOKOSA-N 369.444 2.276 30 40 FEEB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(CC#N)cc2)cc1C 224647824 RPSWJZGBWNVCIU-UHFFFAOYSA-N 374.418 2.350 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1[N+](=O)[O-] 226668956 RLGVJTSLMWJIQA-SDIRDISPSA-N 351.362 2.290 30 40 FEEB COc1ccc(N2C[C@@H](/C(O)=N/c3nc([C@H]4CCCO4)n[nH]3)CC2=O)cc1 95474756 UOYYCYRLTYUMBM-SMDDNHRTSA-N 371.397 2.306 30 40 FEEB Cc1noc(CN2CCCC[C@@H](Nc3ncc(C#N)cc3Cl)C2=O)n1 585088433 HUBYZWLMEPGGAH-CYBMUJFWSA-N 360.805 2.291 30 40 FEEB C=CCN1CCO[C@@H]2CCN(S(=O)(=O)c3sccc3C)CC[C@@H]21 2055745951 UPDAFFYKBYFCMM-LSDHHAIUSA-N 356.513 2.096 30 40 FEEB NC(=S)N/N=C1/C(=O)N(CCCOc2ccccc2)c2ccccc21 101194493 ZBMXEXUKQSUPDX-CAPFRKAQSA-N 354.435 2.040 30 40 FEEB Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 6654139 QYFMXAOCMVEMAY-LBPRGKRZSA-N 359.407 2.050 30 40 FEEB Cc1ccc(-c2noc(Cn3cc([N+](=O)[O-])cc(C#N)c3=O)n2)cc1F 32898994 YORSWJIXISDHQU-UHFFFAOYSA-N 355.285 2.174 30 40 FEEB CCN(C[C@H]1CCOC1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 58291018 GBTUUNDFFXQHBE-OAHLLOKOSA-N 355.442 2.035 30 40 FEEB C=CCc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1OC 17044431 LZKKDNYOIUBJER-VOTSOKGWSA-N 359.338 2.300 30 40 FEEB N#Cc1nc(N)n(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1C#N 95349520 PKOSVSXOPJFUJP-UHFFFAOYSA-N 359.271 2.326 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCOc2ccccc21 14159424 JOCFCPUBGZRXFW-KRWDZBQOSA-N 351.406 2.436 30 40 FEEB COc1cccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)c1 102718964 TYVQNBVMZLINOZ-GROYHEBESA-N 370.405 2.272 30 40 FEEB O=C1/C(=C/N2CCOCC2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 103895866 BYQBRQKPSUWNDS-PDGQHHTCSA-N 368.389 2.380 30 40 FEEB CCOC(=O)Cc1csc(N/C=C2\C(=O)Oc3ccccc3C2=O)n1 104302213 KTYXESLULQLQGN-WQLSENKSSA-N 358.375 2.346 30 40 FEEB N#Cc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1Cl 54531386 IMQNPHDRIDRSCL-UHFFFAOYSA-N 355.829 2.367 30 40 FEEB COC(=O)[C@@]1(CCC#N)C(=O)C[C@@H]2CC[C@H]1N2Cc1cccc(OC)c1 72341116 AETMTDBLOFOLKO-XAUMDUMWSA-N 356.422 2.464 30 40 FEEB N#C[C@H]1C(=O)N=C(N2CCCCC2)NC12CCN(Cc1ccccc1)CC2 14608383 VLRWFULUIXWNFH-SFHVURJKSA-N 365.481 2.133 30 40 FEEB CC(=O)c1c(C)cc(C)c(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c1C 29750261 IBGFELLTYDSLMQ-UHFFFAOYSA-N 351.406 2.393 30 40 FEEB N#Cc1ccc(NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nc1 52386927 PRXHACJJSQHQSY-MRXNPFEDSA-N 372.450 2.023 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CN1CCCN(Cc2ccccc2F)CC1 58210089 AMWRYMWBLJTZOI-HXUWFJFHSA-N 360.477 2.388 30 40 FEEB C=CCN(CC(F)(F)F)C(=O)/C=C/c1ccc(OCC(N)=O)c(OC)c1 58201579 KAGMHPFERUWBKY-FNORWQNLSA-N 372.343 2.149 30 40 FEEB CN(C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C1(C#N)CCC1 66322239 CRGGSOQDBCACJD-UHFFFAOYSA-N 361.467 2.426 30 40 FEEB COc1cccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc(C#N)cc2)c1 408563964 SVNGQTBSCGIMIQ-HXUWFJFHSA-N 365.389 2.399 30 40 FEEB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cccc(C#N)c1 226039906 BPNVAAPBLVKGJH-UHFFFAOYSA-N 357.435 2.001 30 40 FEEB O=C1CCC(c2ccccc2)=C1CC(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)O 72407626 BOEBTZUUSUGNIC-LJQANCHMSA-N 365.389 2.127 30 40 FEEB N/C(=N\S(=O)(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1 13116724 OBWSAOBQKPUGID-UHFFFAOYSA-N 355.822 2.315 30 40 FEEB N#Cc1nccnc1N1CCC(CNC(=O)CSC2CCCC2)CC1 206601824 VWSKFBCUOKXABM-UHFFFAOYSA-N 359.499 2.357 30 40 FEEB C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@]6([C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]46)[C@@H]3CC2=O)[C@@H]1O 263615372 CBOSLVQFGANWTL-JTEGOIKZSA-N 357.494 2.000 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccs2)[C@H](C#N)C(=O)N3)CC1 101441627 YSBIFJZUABPAPV-WCQYABFASA-N 369.450 2.291 30 40 FEEB N#Cc1ccccc1NC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1 17170740 PIQZVYBHPYZXIA-UHFFFAOYSA-N 362.433 2.456 30 40 FEEB COC[C@@](C)(C#N)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 532762149 VTJXWJYZRTYNCS-MRXNPFEDSA-N 370.375 2.362 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 226668936 JTXWSZAFELZYOI-GQMOTSBXSA-N 370.792 2.456 30 40 FEEB CN(C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 6762057 PPQWWHJRFKQADP-UHFFFAOYSA-N 356.514 2.474 30 40 FEEB N#Cc1cnc(SCC(=O)Nc2cccc(Br)c2)nc1N 22031190 DETZQHHLGFPLJD-UHFFFAOYSA-N 364.228 2.424 30 40 FEEB CCOC(=O)C1CCN(C(=O)COc2ccc(C#N)cc2Cl)CC1 7855817 BCSNGDBDOCZKPT-UHFFFAOYSA-N 350.802 2.392 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1CC 3516817 STVLZKCBRZVVHJ-UHFFFAOYSA-N 351.457 2.130 30 40 FEEB COc1cccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c1 256049061 XYPQZVRHNIKAQD-UHFFFAOYSA-N 360.421 2.474 30 40 FEEB C#CCOC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22805125 BBPRXQMYQJRYDK-JOCHJYFZSA-N 364.489 2.404 30 40 FEEB Cc1ccc(OCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1775969504 VPMOPRMNVQHUCN-UHFFFAOYSA-N 372.450 2.136 30 40 FEEB Cc1ccc(/C=N/N2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C2=O)o1 4045771 PFZLLSOPANBJJG-ITUSYWRQSA-N 362.389 2.199 30 40 FEEB biogenic Cc1cccc2c(=O)n(C/C(O)=N/S(=O)(=O)c3ccccc3)cnc12 40129656 ASCFSEKWWCBZFL-UHFFFAOYSA-N 357.391 2.050 30 40 FEEB CC(C)=NOC1(ON=C(C)C)N=C(N)[C@]2(C#N)[C@@H](C(=O)C(C)(C)C)[C@@]12C#N 105106551 XIHJFXWXSRVLBY-OAUYIBNBSA-N 372.429 2.101 30 40 FEEB CN(CC(=O)N(CCC#N)c1ccccc1)[C@H](C(N)=O)c1cccc(F)c1 58264810 FZUULLIVDSQDNI-IBGZPJMESA-N 368.412 2.231 30 40 FEEB Cc1nc(NC(=O)[C@@H](C)NC(=O)c2ccco2)sc1SCC#N 48363796 XHCSCSTYPQKGRF-MRVPVSSYSA-N 350.425 2.417 30 40 FEEB N#Cc1ccc(OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 6043565 DGTHEDYFHUHYNW-UHFFFAOYSA-N 353.334 2.057 30 40 FEEB COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccnc1 6136169 VOXZETFKTJMMCK-QGZVFWFLSA-N 368.389 2.315 30 40 FEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)o1 71284180 DERYJRTVPRHWRH-UHFFFAOYSA-N 364.427 2.437 30 40 FEEB CN(C)c1ccc([C@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)nn1 591657105 GCBDTPAQIUDQJI-CQSZACIVSA-N 356.817 2.440 30 40 FEEB Cc1nc(C(=O)N[C@@]23CCC[C@@H]2N(c2ncc(C#N)cc2F)CC3)co1 1775990945 INBFUHRDFQANTN-MAUKXSAKSA-N 355.373 2.320 30 40 FEEB N#Cc1ccnc(OC[C@H]2CCCN(c3cc(=O)n4ccccc4n3)C2)c1 1776007971 PQDSWFRUEBHOOM-INIZCTEOSA-N 361.405 2.257 30 40 FEEB COc1ccccc1OCC#CCNC(=O)c1ccc(NC(C)=O)cc1 90610337 VVKFTDCWNHVOQT-UHFFFAOYSA-N 352.390 2.466 30 40 FEEB C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Cl)C(=O)NC1=S 4723757 JOMAKXRNNYHZOJ-UXBLZVDNSA-N 366.826 2.170 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 101312013 SSCTXESVJNZKCE-FZJVYVCZSA-N 352.481 2.397 30 40 FEEB C[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccccc1C#N 23628319 DTVDWJDQZAVDFA-GFCCVEGCSA-N 358.423 2.369 30 40 FEEB N#CCOc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 24926103 YVHBTLZVKUZVRN-UHFFFAOYSA-N 351.284 2.408 30 40 FEEB Cc1ccccc1CN1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 24013395 ISPWAIRFGHLDBZ-UHFFFAOYSA-N 355.463 2.373 30 40 FEEB C[C@@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccccc1C#N 12939265 KHONNOLEJRAISI-HNNXBMFYSA-N 371.462 2.398 30 40 FEEB COc1ccccc1NC(=O)C[C@H]1S/C(=N\Cc2ccco2)NC1=O 12995497 SLJGMLJMHXLWFY-CQSZACIVSA-N 359.407 2.405 30 40 FEEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 69284125 HRHJOVOCULFITF-SWLSCSKDSA-N 353.440 2.405 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 18219358 CJYXHVNGZINRTN-OAHLLOKOSA-N 365.433 2.285 30 40 FEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc([N+](=O)[O-])o2)nc1 9661883 HPHXRNXZVAGZPA-CXUHLZMHSA-N 367.387 2.059 30 40 FEEB Cc1cc(C)n(CCCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)n1 39538805 QTDWUSGOSGLHPS-UHFFFAOYSA-N 366.469 2.190 30 40 FEEB Cn1nc(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccc21 566079884 BEUZRGIJLULXOQ-OAHLLOKOSA-N 361.405 2.062 30 40 FEEB CC(=O)Nc1ccc(C2=C(C(C)=O)Sc3nnc(C)n3N2C(C)=O)cc1 5223721 PJJTZEUXOMWNAO-UHFFFAOYSA-N 371.422 2.093 30 40 FEEB N#Cc1cnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 1888853373 MTIUYASMXDZCNZ-HUUCEWRRSA-N 366.808 2.228 30 40 FEEB Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCCCC3)cc1 1652321 AYKRKXSQSACFJF-UHFFFAOYSA-N 357.435 2.230 30 40 FEEB N#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 106763438 QRIKHUVRQPWIMT-PTNGSMBKSA-N 371.418 2.248 30 40 FEEB N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 25374777 YPBQEMNMXLJKFR-UHFFFAOYSA-N 369.446 2.077 30 40 FEEB C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 12690038 WHXUEZYYZJLGNS-UHFFFAOYSA-N 371.268 2.445 30 40 FEEB C#CC(CC)(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 9743239 XBPHJIJNBYYPTO-LJQANCHMSA-N 355.438 2.070 30 40 FEEB O=C1C=C(NCCCS(=O)(=O)c2ccccc2)C(=O)c2ccccc21 255190832 ZUULOWJVKLAHGY-UHFFFAOYSA-N 355.415 2.403 30 40 FEEB C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/CO)CC(C)=CCC[C@@]1(C)O[C@H]21 958317930 CQZUJMJORLOTCJ-LLYBVJJBSA-N 362.422 2.222 30 40 FEEB CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc1 6819963 CVMLNRLIEXHGDU-ZLENFMNRSA-N 357.406 2.341 30 40 FEEB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCCN(c2ccccc2C#N)CC1 52801251 QEHMOCVNLNXUJO-OAHLLOKOSA-N 371.485 2.083 30 40 FEEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCn2ccnc2)cc1 847078 GQSAZGXNZMGMJC-QGZVFWFLSA-N 355.394 2.266 30 40 FEEB N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 58177768 RFBJUGNXKQQKDC-UHFFFAOYSA-N 364.405 2.077 30 40 FEEB COc1ccccc1C/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408529700 CYASTBPTQSUFQK-GKXUUXLPSA-N 365.389 2.474 30 40 FEEB C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OC)c1OCCC 409070425 ZJRDFSNMFFFXBO-UHFFFAOYSA-N 360.435 2.127 30 40 FEEB CCOC(=O)/C(=N\NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccco1 17060731 MXKFADVJRJOHFY-SDXDJHTJSA-N 364.423 2.451 30 40 FEEB Cc1nc(C(C)(C)C)nc(N2CCN(c3nccc(C#N)n3)CC2)c1F 1888859278 IAKPLFXVHNINTE-UHFFFAOYSA-N 355.421 2.210 30 40 FEEB N#Cc1ccccc1CSCCNC(=O)CNC(=O)Cc1ccccc1 8774447 DVTRRDPRSODSRO-UHFFFAOYSA-N 367.474 2.267 30 40 FEEB N#Cc1nc(COc2ccc(F)cc2)oc1NCCCN1CCOCC1 19911310 QVAAINRAWKAHDI-UHFFFAOYSA-N 360.389 2.399 30 40 FEEB COc1ccc(/C=N/Nc2cnnc(O)c2Br)c(OC)c1 31858788 DOGOSRFMHINADR-GIDUJCDVSA-N 353.176 2.408 30 40 FEEB C#CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C1=O 3672795 ITTMTRQYBWGPGE-GMROUXNLSA-N 361.375 2.217 30 40 FEEB C#CCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(OC)c(OC)cc21 101135189 SEVFWNYSVXEPDE-ISLYRVAYSA-N 357.391 2.391 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 20445335 BQOCKLURBPQTNJ-KRGDBVFUSA-N 366.508 2.330 30 40 FEEB C[C@H]1CCC[C@H](N2CNC(=NS(=O)(=O)c3ccc(F)cc3)NC2)[C@@H]1C 22607964 CBRVECYDAHLVGN-ZENOOKHLSA-N 368.478 2.105 30 40 FEEB COc1cc(/C=N/NC(=S)NCc2ccccc2)cc([N+](=O)[O-])c1O 19795458 LYFFDHOUTBTNIH-VCHYOVAHSA-N 360.395 2.307 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)NC(=O)c2ccco2)cc1C 95373450 PSSNTRBXBZDLNI-LLVKDONJSA-N 366.395 2.060 30 40 FEEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218092468 SYKBMHDJNOROTH-BQFCYCMXSA-N 357.387 2.229 30 40 FEEB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C3(C#N)CC3)cc2)C1 260749500 VSWUUWZIDUMEDO-AWEZNQCLSA-N 361.467 2.242 30 40 FEEB CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[C@@H](C#N)C(=O)C1CC1 100590225 ZTTKDUXKVPEXCG-NSHDSACASA-N 359.325 2.410 30 40 FEEB in-vitro C=CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c1 55724727 YCTDHWIYVHGMMX-AWEZNQCLSA-N 352.456 2.252 30 40 FEEB O/N=C(\CN1CCN(C/C(=N\O)c2ccccc2)CC1)c1ccccc1 104058504 ILFLQUVVXWLGEO-FLFKKZLDSA-N 352.438 2.361 30 40 FEEB C=C(Br)CNC(=O)CN1C(=O)COc2ccc(Cl)cc21 49297193 ASUHFSJBNZZPGU-UHFFFAOYSA-N 359.607 2.090 30 40 FEEB N#C/C(C(N)=O)=c1/ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2 4339815 OHWJDSSZXTZAES-GBCIFRKHSA-N 360.461 2.404 30 40 FEEB COc1ccc(/C=C/C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 225488457 GXRVCMRUYGQMQE-NADMHLTPSA-N 364.405 2.440 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccc(OC)cc2OC)cc1 104110603 VFHFXKKQRTXHSR-GROYHEBESA-N 369.373 2.422 30 40 FEEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 4944456 XZUZVKSVXDEPQM-SNVBAGLBSA-N 357.391 2.251 30 40 FEEB N#Cc1ccc(OCCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 8708432 UVFVYTUHEDCCEH-FQEVSTJZSA-N 363.373 2.167 30 40 FEEB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2)cc1[N+](=O)[O-] 3503388 FCJZFLMUNXDXQI-UHFFFAOYSA-N 360.347 2.227 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 40049369 NTFRNMNGOVTRQI-CRAIPNDOSA-N 360.479 2.393 30 40 FEEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)o1 102730437 CZTOUOXPJYTBSN-HVESIFNPSA-N 369.421 2.356 30 40 FEEB C[C@@H]1CN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)C[C@@H](C)O1 23749260 HVYCDSMDJPCCIC-CHWSQXEVSA-N 372.494 2.470 30 40 FEEB NC1=C(c2nc3ccccc3s2)C(=O)CN1NC(=O)c1cccs1 3885602 JAZRJNRBCRQRAB-UHFFFAOYSA-N 356.432 2.215 30 40 FEEB COc1ccc(-n2c(C)cc(C(=O)C[N+]34CCN(CC3)CC4)c2C)cc1 5903237 OEBCGWYBBOOAIV-UHFFFAOYSA-N 354.474 2.431 30 40 FEEB N#Cc1ccccc1NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 8936583 XFHIOCZKZPFOLN-UHFFFAOYSA-N 365.418 2.222 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 36638538 WZYARDGPBBDMMD-MHZLGRPESA-N 370.471 2.473 30 40 FEEB CS(=O)(=O)N[C@@H](CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 225943354 WCJRZEXCOWXOAX-INIZCTEOSA-N 361.398 2.316 30 40 FEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)NCc2ccc(Cl)cc2)C1 225803909 IPSXQEVHIMTVGA-AWEZNQCLSA-N 357.801 2.365 30 40 FEEB Cc1c(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[n+]([O-])c2ccccc2[n+]1[O-] 17188186 MHRGTPRZPJAAJS-KHPPLWFESA-N 351.318 2.219 30 40 FEEB N/C(=N\c1nc(=O)c2c([nH]1)CCC2)N1CCC(Cc2ccccc2)CC1 19819798 GFEWAFXSSJLKNC-UHFFFAOYSA-N 351.454 2.160 30 40 FEEB Cn1nc(C2CCN(c3ncc(C#N)cc3Cl)CC2)n(C2CC2)c1=O 1888853736 APFLYAOLRYPMNI-UHFFFAOYSA-N 358.833 2.221 30 40 FEEB N#Cc1ccc(OCC(=O)OCC(=O)Nc2cccc3nsnc23)cc1 23407365 DGQPSWUMMPIINM-UHFFFAOYSA-N 368.374 2.124 30 40 FEEB CCCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 105661638 XEPXDCIQLUANRY-PBHICJAKSA-N 363.483 2.187 30 40 FEEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(S(C)(=O)=O)c1 8225096 HNRTXQLYFZSIEL-UHFFFAOYSA-N 374.418 2.378 30 40 FEEB CCCCCCCCCCNC(=O)C(=O)NCCCN1CCOCC1 408707535 OAFDJWAPYDANMS-UHFFFAOYSA-N 355.523 2.082 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 5249697 AKJQTXLBCBVYOV-XJFZTKQQSA-N 352.481 2.397 30 40 FEEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 408536326 QXCQPODHQRCSHG-AWEZNQCLSA-N 367.361 2.305 30 40 FEEB C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(C)C1=O 408911651 BACQPFDNYPNWFG-RVDMUPIBSA-N 350.399 2.108 30 40 FEEB Cc1cc(C)n(-c2cc(N3CCN(c4cccc(C#N)n4)CC3)nc(C)n2)n1 1888873390 YSJTUMXTPMSAPB-UHFFFAOYSA-N 374.452 2.181 30 40 FEEB CCOC(=O)c1ccccc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 7615971 PZTFZWFMAFPGGZ-UHFFFAOYSA-N 353.378 2.152 30 40 FEEB Cc1cc2n(CC(=O)Nc3ccc(C#N)cc3)c(=O)c3ccccc3n2n1 32836390 MIBQBMKGXOJVCJ-UHFFFAOYSA-N 357.373 2.468 30 40 FEEB Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2cnc(C#N)n2)c1 21914942 PYZVFKGAIZBLJR-UHFFFAOYSA-N 360.377 2.349 30 40 FEEB COc1cc(OC)c(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1OC 3235540 SWLIIIVZXCQGFW-UHFFFAOYSA-N 370.361 2.380 30 40 FEEB Cc1cc(/C=C/C(=O)OCC(=O)NCCC#N)c(C)n1Cc1ccco1 5630520 NMXXQYGEVOFBFZ-VOTSOKGWSA-N 355.394 2.333 30 40 FEEB CCOC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 5795533 WWJAPPXDZMZWBX-UHFFFAOYSA-N 356.338 2.313 30 40 FEEB Cc1noc([C@@H](C)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 27106988 JWKGZOBBLKDAAW-LLVKDONJSA-N 354.370 2.381 30 40 FEEB C#CCN(CC#CC)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 72305201 KQGYJFBOJOZKJM-QZTJIDSGSA-N 353.466 2.197 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 32634781 WWXQNCRPTGWKLI-PTTFWAKNSA-N 374.434 2.366 30 40 FEEB CN1NC(=NC(=O)c2ccc(Cl)cc2)/C(=N\Nc2ccc(F)cc2)C1=O 575442833 FNWSLKIHPYPXFV-HYARGMPZSA-N 373.775 2.463 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 95915202 HGUCMUSCDIICCD-OVZRNVPMSA-N 352.481 2.315 30 40 FEEB N#Cc1ccnc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)c1 1775994999 FLEFZXZVJBWCHF-UHFFFAOYSA-N 374.452 2.375 30 40 FEEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)C1CC1 101299171 BTWVNBYAMZDJAU-YXEAAEFPSA-N 370.883 2.351 30 40 FEEB C/C(NC(=O)c1ccccc1)=C1\C(=O)c2ccccc2S(=O)(=O)N1C 13624243 DJRDZOCWIBRQIB-VBKFSLOCSA-N 356.403 2.165 30 40 FEEB N#Cc1ccc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)cc1 14189537 WDYQDPNHAUQODH-UHFFFAOYSA-N 365.389 2.048 30 40 FEEB Cc1cc(C)n([C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 79019139 SJLVADSIOMRNBR-CABCVRRESA-N 361.446 2.032 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N\Cc3ccccc3)C2=O)c1 408536601 SEZUHCBTVXAQHG-SDLDRHLBSA-N 351.362 2.165 30 40 FEEB Cn1ccnc1CN1CCC[C@@]2(COCCN(c3cccc(C#N)c3)C2)C1 96229000 YNFCPXZOBBCFQJ-OAQYLSRUSA-N 365.481 2.411 30 40 FEEB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](/N=C/c2ccccc2)[C@H]1O 5181605 OYPGACRUYYAGDH-XWDVCIFYSA-N 369.417 2.321 30 40 FEEB CCN1C(=O)/C(=C/N(C)C)S/C1=N\S(=O)(=O)c1ccc(C)cc1 13843632 VVIARYHVBMTNHD-MBEWDDOBSA-N 353.469 2.038 30 40 FEEB N#Cc1cnc(N2CCC(C(=O)N3CCSCC3)CC2)c(Cl)c1 2298183947 BFGKXNRZPGDWBF-UHFFFAOYSA-N 350.875 2.398 30 40 FEEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccco1 20219551 XOQLXONWUNZQEO-MRXNPFEDSA-N 355.394 2.205 30 40 FEEB Cc1ccccc1NC(=O)C(=O)[C@H]([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-] 1626676 ATJDQFODUOZFLO-GDBMZVCRSA-N 354.318 2.060 30 40 FEEB COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](C#N)CCC#N)C1=O 53726769 GEBKLPAXGSSMTL-YJYMSZOUSA-N 352.394 2.222 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4248252 JEHWKDFDBLLYFZ-AWEZNQCLSA-N 351.406 2.274 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 5341944 CEACFUDOXMKWEQ-RGHHBTPQSA-N 356.444 2.227 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(Cl)c1 5489114 YGPQNTCBJQJNRN-PDOPJTIDSA-N 358.872 2.270 30 40 FEEB N#Cc1c(NC(=O)CN2C(=O)COc3ccccc32)sc2c1CCC2 19989224 OONIPDOAQZBQEY-UHFFFAOYSA-N 353.403 2.473 30 40 FEEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC(=O)NC1CC1 95953629 KZGFBOFMNTUQEL-ZDUSSCGKSA-N 360.483 2.230 30 40 FEEB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2SCCC#N)C1=O 95953487 NGNWBKAGUURCOG-SFHVURJKSA-N 372.450 2.351 30 40 FEEB Cc1ccc(S(=O)(=O)OC[C@@H]2Oc3ccc([N+](=O)[O-])cc3O2)cc1 255189439 PWZZRHFUWYXYFH-OAHLLOKOSA-N 351.336 2.406 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 100937648 QXWGRJKLRCVYDW-TWWIOWFMSA-N 372.899 2.347 30 40 FEEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)N2CCCC2)CC1 29778750 QKQKTHOVHSRTFX-OAHLLOKOSA-N 355.438 2.187 30 40 FEEB N#Cc1ccc(N2CCC(C(=O)NCCc3ccc(O)cc3)CC2)nc1 54117067 CFDYJLKZHUJAAJ-UHFFFAOYSA-N 350.422 2.234 30 40 FEEB Cc1nc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nn1-c1ccccc1C(C)C 58193223 JUOJGSDOAWASLQ-UHFFFAOYSA-N 360.381 2.418 30 40 FEEB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)C1(C#N)CCCCC1)C2=O 8352377 BHXMZUKVPRAQDU-LIRRHRJNSA-N 360.458 2.172 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)NC1=S 408902302 MWLXRYUHRDXQSM-WYMLVPIESA-N 359.451 2.473 30 40 FEEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(OC)c1 9060795 TYKIVYPNTCCXPB-CABCVRRESA-N 352.481 2.346 30 40 FEEB N#C[C@H](NC(=O)c1cn2c(n1)COCC2)c1ccc(OC(F)(F)F)cc1 599403370 NXJZVMRGCUZZIC-LBPRGKRZSA-N 366.299 2.307 30 40 FEEB CC(C)=NN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 575422728 NBSYTSQRALTSOI-OAHLLOKOSA-N 372.512 2.384 30 40 FEEB O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1/N=C\c1cccnc1 5760670 BURKCNQEEGDTEO-AFPJDJCSSA-N 362.311 2.310 30 40 FEEB C#CCNC(=O)COC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl 7021332 XLNLDFJPNMIGNF-UHFFFAOYSA-N 359.813 2.108 30 40 FEEB Cc1ccccc1N1/C(=N\C(=O)C(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 101312144 YWZWGSAJEGQBPX-FZJVYVCZSA-N 352.481 2.252 30 40 FEEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 104858866 MQPKVVRHFFAPAD-IFXJQAMLSA-N 352.442 2.069 30 40 FEEB C[C@H](OCC(F)(F)F)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 43041544 KHGRHIDGVSXWRK-NSHDSACASA-N 359.323 2.313 30 40 FEEB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)Cc1ccccc1C#N 24990159 IKRZDOUYUYNHGW-YOEHRIQHSA-N 363.483 2.015 30 40 FEEB N#Cc1ccc(N2CCC(C(=O)NCCOc3ccccc3)CC2)nc1 25309562 GBBULVAXSILPOB-UHFFFAOYSA-N 350.422 2.365 30 40 FEEB C=CCn1c(=O)c2cnc(SC)nc2n1-c1cccc(C(C)(C)O)n1 85223637 CTAHQYLRFXBFKB-UHFFFAOYSA-N 357.439 2.113 30 40 FEEB N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nc1 40083222 WLLOBLOTOGOHBQ-UHFFFAOYSA-N 360.414 2.040 30 40 FEEB Cc1cccc(NC(=O)C(=O)[C@H]([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C 1627897 JYENQJXMPABEPI-NVXWUHKLSA-N 368.345 2.368 30 40 FEEB N#Cc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)c(F)c1 9265638 GLVWRYIASSPSLC-UHFFFAOYSA-N 353.353 2.388 30 40 FEEB COc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/c3ccco3)S2)cc1 12436541 KVRKGBLBLCFCQC-LCYFTJDESA-N 364.404 2.237 30 40 FEEB CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1 1440849 FZBSMOCEPVNXAG-UHFFFAOYSA-N 357.435 2.232 30 40 FEEB C=CCN/C(S)=C(\C(=O)c1ccc2c(c1)OCCO2)[n+]1ccccc1 3290444 SGDGUWDLFSNJBW-UHFFFAOYSA-O 355.439 2.460 30 40 FEEB COc1cc(C#N)cc(Cl)c1OC(=O)c1nc2nc(C)cc(C)n2n1 24042649 IOANKNSZHIWUEB-UHFFFAOYSA-N 357.757 2.494 30 40 FEEB COc1ccc(/C=N/c2nnc[nH]2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 4815346 XJZBMKAQKMNKQY-REZTVBANSA-N 355.358 2.334 30 40 FEEB Cn1ccnc1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1F 8746392 DNKJICMGNYNCII-KRWDZBQOSA-N 370.409 2.499 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409389713 INPQQGQMMOJGOI-UHFFFAOYSA-N 364.398 2.308 30 40 FEEB CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCO[C@@H](C#N)C1 282781283 FDLPHQNUZJPQQD-ZWKOTPCHSA-N 356.470 2.221 30 40 FEEB Cc1ncc2c(n1)[C@H]1CN(C(=O)C3(C#N)CCCC3)C[C@@H]1N(CC1CC1)C2 1565555265 VVGDUZTWOGBNMA-ROUUACIJSA-N 365.481 2.389 30 40 FEEB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(/C(=N\O)c2cnc3ccccc3n2)C1 100248577 OGOADDPJQPPQPT-VSXDWEEXSA-N 361.405 2.047 30 40 FEEB Cc1cc(C)cc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101309367 LAZWDEVEKZVHPI-YTRIFDNDSA-N 364.492 2.315 30 40 FEEB CN(CC(=O)Nc1sccc1C#N)S(=O)(=O)c1ccc(F)cc1 3486734 WGXNMCWSGLPILR-UHFFFAOYSA-N 353.400 2.018 30 40 FEEB N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 34800946 SBJYUAMMUHVMPR-UHFFFAOYSA-N 371.422 2.289 30 40 FEEB C=CCn1c(C)cn2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 5076493 OZIGRZOIUWOGCV-UHFFFAOYSA-N 363.421 2.001 30 40 FEEB N#Cc1ccc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)c(F)c1 2087136692 IFWQVNFTGJLWSH-INIZCTEOSA-N 367.371 2.156 30 40 FEEB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 105661640 XEPXDCIQLUANRY-RHSMWYFYSA-N 363.483 2.187 30 40 FEEB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2C#N)cc1OC 3235592 MATNBEZDLFYKEU-UHFFFAOYSA-N 370.361 2.380 30 40 FEEB N#Cc1ncn(CC(=O)N2N=C(/C=C/c3ccco3)C[C@H]2c2ccco2)n1 12934541 UYWFZYKUIXIMLL-NFAHFFEMSA-N 362.349 2.379 30 40 FEEB Cc1ccc(C)c(S(=O)(=O)OCCN2C(=O)c3ccccc3C2=O)c1 5555481 IPLSVIVYINTOIR-UHFFFAOYSA-N 359.403 2.305 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N\[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533672 KLDMCITWADYUPW-BGOMIBHCSA-N 355.394 2.154 30 40 FEEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccnc2)s1 102741520 KEPYMBCOAUHQNV-REQDGWNSSA-N 368.374 2.461 30 40 FEEB COc1cc(C#N)cc(Cl)c1OC(=O)Cn1c(=O)n(C)c2ccccc21 21895953 DUMMOMDFEPRSNZ-UHFFFAOYSA-N 371.780 2.479 30 40 FEEB N#Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccccc2)cc1 19169480 KBSZIIDSUPTJLQ-OTWHNJEPSA-N 358.401 2.094 30 40 FEEB N#Cc1c(NC(=O)CCN2CCC(C(N)=O)CC2)sc2c1CCCC2 12783710 VOKVLQDFZNHVGB-UHFFFAOYSA-N 360.483 2.024 30 40 FEEB C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)Nc1ccccc1C#N 3409772 VKGCGVGUGLWRFV-GFCCVEGCSA-N 372.402 2.146 30 40 FEEB O=C(O)C[C@H]1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O 6229478 MCASIHBQXAUEIZ-CQSZACIVSA-N 351.387 2.482 30 40 FEEB CN(C)c1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537062 ULOQAYYWAVUZFY-CQSZACIVSA-N 368.368 2.493 30 40 FEEB C[C@](O)(CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 70639782 HIBKRTGIXPSMMJ-SFHVURJKSA-N 357.797 2.174 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 225480314 GQSHQYVTXMKSOL-HNNXBMFYSA-N 361.405 2.442 30 40 FEEB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 602053290 BDDUTCZFKDXGTO-NSHDSACASA-N 360.801 2.084 30 40 FEEB O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccn1)c1ccc(F)cc1 15109797 YCMCDVYWSMGIEF-INIZCTEOSA-N 356.353 2.181 30 40 FEEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(c2ccccc2O)CC1 57406253 OKUDKFNPWBWVPO-HNNXBMFYSA-N 350.422 2.413 30 40 FEEB Cc1nc2nc(SC[C@H](O)COc3ccc(C#N)cc3)nn2c(C)c1C 58192894 SRKDZZZYQFSPBP-OAHLLOKOSA-N 369.450 2.453 30 40 FEEB COc1ccc(CCn2c(=N)c(C#N)cc3c(=O)n4ccccc4nc32)cc1 2263654 IBSIAYFFEMGZJS-UHFFFAOYSA-N 371.400 2.252 30 40 FEEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(N)=O)CC1 12791447 VYEWWHDSOYMZJR-LBPRGKRZSA-N 374.510 2.413 30 40 FEEB COc1cccc(NC(=O)CN(C)CC(=O)N(C)C2(C#N)CCCCC2)c1 7457798 ZMTDIEDEOCAFJN-UHFFFAOYSA-N 372.469 2.250 30 40 FEEB COC(=O)c1cccc(CN2CCN(C(=O)c3cccs3)CC2)c1C#N 95440697 GYBQUAPBXNVDCT-UHFFFAOYSA-N 369.446 2.364 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCc1cccc(C)c1 408708749 MCHCDSZNVGQFCL-UHFFFAOYSA-N 351.406 2.166 30 40 FEEB C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/CO)C/C(C)=C/CC[C@@]1(C)O[C@H]21 166641964 CQZUJMJORLOTCJ-UPWLPELVSA-N 362.422 2.222 30 40 FEEB biogenic,in-vitro N#Cc1ccc(OCC(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1 8882215 LULHQAAVVXXOFU-UHFFFAOYSA-N 351.362 2.214 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1cccc(O)c1 102873617 ITXJEPSJCNWTGS-IBOXJLQUSA-N 357.362 2.362 30 40 FEEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc[n+]([O-])c2)nc1C 22890442 NMYFWVRCTKYEPG-UHFFFAOYSA-N 374.451 2.070 30 40 FEEB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O 5167782 FFFNBMIHHZUHKH-QGZVFWFLSA-N 374.828 2.060 30 40 FEEB C[C@H]1CN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)C[C@@H](C)O1 14083057 HVYCDSMDJPCCIC-BETUJISGSA-N 372.494 2.470 30 40 FEEB C=CCN(CC=C)C(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 2620369 FXQJKSQDOSTZGU-LJQANCHMSA-N 359.401 2.183 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 100199490 HCKZNPLHWXTKAE-DAEBKTTESA-N 352.390 2.091 30 40 FEEB O=S(=O)(N=C1NCN(CC2CCCCC2)CN1)c1ccc(Cl)cc1 22607987 VDSCZFMCACASTR-UHFFFAOYSA-N 370.906 2.375 30 40 FEEB C=CCn1c(SCC(=O)NCCOC)nc2sc(C)c(C)c2c1=O 3470488 QARDLFUVAMSCTA-UHFFFAOYSA-N 367.496 2.116 30 40 FEEB N#Cc1cccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)c1 4877123 WWYSJDIZPCMOSU-UHFFFAOYSA-N 368.397 2.400 30 40 FEEB Cc1cc(C)n(CC(=O)Nc2nnc(-c3ccccc3)s2)c(=O)c1C#N 408534724 UFWDCAWSPVHJFG-UHFFFAOYSA-N 365.418 2.494 30 40 FEEB C=CCNC(=O)/C(=C/c1ccc(OC(C)=O)cc1)NC(=O)c1ccco1 2949871 CWRPPAHEQHPELN-VBKFSLOCSA-N 354.362 2.278 30 40 FEEB C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]12 4915785 OIGPMJCLTDSPPN-QQVOSXMISA-N 374.477 2.236 30 40 FEEB C=C(C)CN(CC)C(=O)COC(=O)[C@H](NC(=O)c1ccco1)C(C)C 20888816 IVTAUZIJAQXGFN-MRXNPFEDSA-N 350.415 2.002 30 40 FEEB COc1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1OC 100199948 WMVSNTSUKSHDGJ-LRRYFCSUSA-N 352.390 2.091 30 40 FEEB COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(C(N)=O)cc1 36390686 RBNCONDTUFGKRM-UHFFFAOYSA-N 367.405 2.141 30 40 FEEB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)C1(C#N)CCCCC1)C2=O 8352379 BHXMZUKVPRAQDU-AUUYWEPGSA-N 360.458 2.172 30 40 FEEB COC(=O)/C(CC(=O)c1ccccc1)=N\Nc1nc(=O)[nH]c2ccccc12 14134873 YINOQIFKBDNDFV-JCMHNJIXSA-N 364.361 2.137 30 40 FEEB Cc1cc(=O)oc(C)c1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 89568498 ARLLUAZICRGXOW-OAHLLOKOSA-N 352.346 2.091 30 40 FEEB N#Cc1ccc(OCC[C@H]2CO[C@H]3CN(Cc4nccs4)C[C@@H]23)nc1 306125697 CYNSNKNFDKNUHR-JYJNAYRXSA-N 356.451 2.326 30 40 FEEB C=CCOc1ccc(/C=c2\s/c(=C\C(=O)c3ccco3)n(C)c2=O)cc1 40059718 BRGSSUMJUCDECB-BKHHGCLFSA-N 367.426 2.097 30 40 FEEB C[C@@H]1CO[C@H]2C3=C(C(=O)C=CC3=O)[C@H]3OC(=O)[C@H]4CC[C@H]5[C@H]1CC[C@@]52[C@H]43 85776324 QCPDBEXGCHOIDE-AKIPIMKUSA-N 354.402 2.004 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 18176667 CJYXHVNGZINRTN-HNNXBMFYSA-N 365.433 2.285 30 40 FEEB CCCc1cc(=O)[nH]c(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)n1 28679189 CBBAIHJCKBWKAT-HNNXBMFYSA-N 354.435 2.492 30 40 FEEB COc1cc(O)c(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 6923459 GJOHXNHAUOXUIA-LICLKQGHSA-N 350.396 2.030 30 40 FEEB CNC(=O)[C@@H](C#N)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 102389129 QBCHXDJAAFIXDR-HNNXBMFYSA-N 369.446 2.320 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 18024845 QXWGRJKLRCVYDW-LTUGMUNRSA-N 372.899 2.347 30 40 FEEB Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)c(C)c1 42276465 AGPOJCWPGVVPON-AWEZNQCLSA-N 358.419 2.448 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)ccc1O 222313321 YTDUBYPQQWZWGR-WPWHSZHVSA-N 352.390 2.178 30 40 FEEB CCOC(=O)CN1/C(=N\N=C\c2ccccc2)c2ccccc2S1(=O)=O 95481770 NXZHIRLYQNQDHI-UCNDJUHZSA-N 371.418 2.035 30 40 FEEB CCN(CCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 601014268 BUWNBLQBABGIBL-UHFFFAOYSA-N 365.283 2.439 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](Cc1ccccc1)C(C)=O 5629902 IHHGBSXCNOFNKT-KRWDZBQOSA-N 352.390 2.262 30 40 FEEB CCOC(=O)[C@H]1O[C@@]12c1cccc3cccc(c13)[C@]21O[C@H]1C(=O)OCC 16955589 CGMQEBARDLMDNR-OBMJPTGESA-N 354.358 2.168 30 40 FEEB C#CCOc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)cc1OCC 19532182 QRETYUFHJBYENH-OALUTQOASA-N 358.482 2.128 30 40 FEEB COc1ccc(NC(=O)CSc2nc(N)nc(SC)c2C#N)cc1 3169421 KLNPIUFHCTZFQX-UHFFFAOYSA-N 361.452 2.392 30 40 FEEB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(C#N)c1 2656069 YGKFHALDLJMIPP-SFHVURJKSA-N 369.446 2.273 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 101310001 RIMPXQJTQJWWAX-NOTNZGAASA-N 352.481 2.315 30 40 FEEB N#CCC[C@@H](C#N)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O 58179241 JBYZOCSPCCQTNG-FXAWDEMLSA-N 365.437 2.017 30 40 FEEB C#Cc1cccc(NC(=O)CNC(=O)C2(c3ccccc3)CCOCC2)c1 58201829 JCIXXXNKEJTOTQ-UHFFFAOYSA-N 362.429 2.471 30 40 FEEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 48644443 VTROCDPVRHPZRV-UHFFFAOYSA-N 374.418 2.411 30 40 FEEB C[C@H](OC(=O)c1nccnc1N)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 9368601 IADMWELJYOKMET-JASJWYONSA-N 366.421 2.485 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 32507305 AAEUIHZGEPZYRU-GGNAOWBESA-N 370.471 2.223 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 95915232 JODBWCZJRQWQKS-QLXQBBHQSA-N 352.481 2.334 30 40 FEEB CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(Cl)c(N)c1Cl 1630764856 SWOLEKLINVYGSH-UHFFFAOYSA-N 367.240 2.457 30 40 FEEB CC(=O)N1C(=O)/C(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc21 1009748 BLUFQLJWXYYGGC-QOCHGBHMSA-N 374.400 2.498 30 40 FEEB COc1cc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)ccc1OC(C)C 9174149 RDZSRKRXDVPCPN-LJQANCHMSA-N 360.410 2.448 30 40 FEEB N#Cc1c(N)nc2c3c(sc(=N)c2c1N)NC(=O)C[C@H]3c1ccccc1 100949186 DKEHVXLGLYZRNF-VIFPVBQESA-N 362.418 2.286 30 40 FEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47347512 CPSUOAANNIDZSP-HXUWFJFHSA-N 360.373 2.276 30 40 FEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(O)c(Br)c1)[C@H]1C=C[C@H]2C1 101021038 GDDOPJBRRRNCHI-AMNHPZTASA-N 361.195 2.296 30 40 FEEB O=C(NCC/C(O)=N/S(=O)(=O)c1cccs1)OCC(F)(F)F 58081152 WUDSWUBGAQWWRC-UHFFFAOYSA-N 360.335 2.072 30 40 FEEB CCc1noc(C)c1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48461725 HINAOUVDJTYWHD-UHFFFAOYSA-N 352.368 2.010 30 40 FEEB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cccc(C#N)c2)cc1 3557055 RGIURKPFHIGCLT-UHFFFAOYSA-N 351.362 2.056 30 40 FEEB CC/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 6377950 XCAVDHVWWDOSMO-AZDDOORDSA-N 351.472 2.461 30 40 FEEB C/C(=N\Nc1cc(C)nc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1 9301847 KLFKJMNMECQCFZ-DEDYPNTBSA-N 356.386 2.366 30 40 FEEB CCOc1c(OC)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409357709 JNGYDHLHTFXRIJ-UHFFFAOYSA-N 369.377 2.400 30 40 FEEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32634437 CEVWDVNFMIIIFP-YXEAAEFPSA-N 356.444 2.083 30 40 FEEB C#Cc1cncc(C(=O)N2CCO[C@@](C)(CNC(=O)C[C@@H](C)C(C)C)C2)c1 1775990363 AKCUQZBIJUZQLP-IERDGZPVSA-N 371.481 2.092 30 40 FEEB N#Cc1cccnc1N1CCN([C@H](C(=O)O)c2c[nH]c3ccccc23)CC1 32093240 ZRKHEPHTNODFFB-SFHVURJKSA-N 361.405 2.382 30 40 FEEB COc1ccc(/C=N/N2C[C@@]3(C)[C@@H]4CC[C@]3(C)[C@@]2(C(N)=O)C4)cc1OC 100920890 LZJCLTMEUVKVBN-PWGJNGOUSA-N 357.454 2.404 30 40 FEEB CCOC(=O)c1c(NC(=O)C[n+]2ccc(N(C)C)cc2)sc2c1CCC2 7748698 IYILALSZHVHPDD-UHFFFAOYSA-O 374.486 2.406 30 40 FEEB CCCCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)n[nH]c1=O 14116913 SEWIZAUBPKTNGO-JTQLQIEISA-N 351.457 2.105 30 40 FEEB O=C1Oc2ccccc2C(=O)/C1=C\NCc1nc(Cc2cccs2)no1 1547201061 SWLAHMQYCFTSKO-UKTHLTGXSA-N 367.386 2.497 30 40 FEEB CC(C)c1ccccc1OCC(=O)OCC(=O)N(CCC#N)CCC#N 36214201 KWKHYAKXXXENKI-UHFFFAOYSA-N 357.410 2.388 30 40 FEEB CC1(c2nc(=NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)s[nH]2)CC1 600226481 CLYNQVUTPUKHIR-AWEZNQCLSA-N 353.451 2.491 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)Cc3ccc(OC)c(F)c3)C[C@H]2C)C1=O 1614936095 YBKGNWUHFMOULB-JLTOFOAXSA-N 360.429 2.260 30 40 FEEB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cn1 62062247 BCWXUEDFWWPRFO-UHFFFAOYSA-N 351.410 2.054 30 40 FEEB C#CCOc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1 100763643 VILSSZWJAOOYTI-QZTJIDSGSA-N 351.450 2.447 30 40 FEEB C[C@@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1sccc1C(N)=O 12959738 LJGQTUJXLIDTNX-LLVKDONJSA-N 371.418 2.222 30 40 FEEB N#Cc1cc(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)cnc1C(F)(F)F 591423026 VJCQCDVQUZIDFR-JTQLQIEISA-N 366.303 2.163 30 40 FEEB C=C(C)CN1C(=O)/C(=C/c2ccc(OC)cc2OC)C(=O)N(C)C1=S 984587 BMKWJMSVDKUULB-RIYZIHGNSA-N 360.435 2.249 30 40 FEEB CCc1nc(C/C(O)=N/S(=O)(=O)c2cccc(C(=O)OC)c2)cs1 58194189 QWCOWTBGACEACA-UHFFFAOYSA-N 368.436 2.380 30 40 FEEB Cn1c(Oc2ccccc2/N=C/c2ccccc2O)cc(=O)n(C)c1=O 2345629 QKFDENATFVUMAM-UDWIEESQSA-N 351.362 2.333 30 40 FEEB N#Cc1ccccc1-c1ccc(COC(=O)CN2CCCS2(=O)=O)cc1 61508949 IIWDNZDRKYFWFG-UHFFFAOYSA-N 370.430 2.304 30 40 FEEB COc1ccc(OC)c(S(=O)(=O)/N=C(\O)Cc2c(C)noc2C)c1 48493130 PSVCDRUIHKECAQ-UHFFFAOYSA-N 354.384 2.197 30 40 FEEB CN(/N=C/c1ccc(F)cc1)C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 4359341 UWAOKQFSIBYRIF-RQZCQDPDSA-N 362.342 2.149 30 40 FEEB CCc1cccc(CC)c1N1/C(=N/C(C)=O)S[C@H]2CS(=O)(=O)C[C@@H]21 6658498 CPRPPRMLCKNNJE-QDASYUEBSA-N 366.508 2.433 30 40 FEEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 4866744 SHFWMTBGHNYEOV-UHFFFAOYSA-N 374.740 2.498 30 40 FEEB C=CCNC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940317 XURKUBBUYPHTNU-VIFPVBQESA-N 351.255 2.450 30 40 FEEB C=CCOc1c(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cccc1OC 408534374 SDHFJKZVFQNYGZ-LCYFTJDESA-N 363.391 2.469 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(O)cc1 104235893 DEEFWWUYQPYHSK-HVESIFNPSA-N 353.374 2.460 30 40 FEEB C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCCC[C@@H]3CO)C(=O)O[C@@H]1C2 6623745 VQSWXEJDECKEJC-ZBINAFDESA-N 363.498 2.360 30 40 FEEB COC(=O)[C@@H](C)CN(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 58316381 MIEZDVOWAZAKSD-INIZCTEOSA-N 357.454 2.250 30 40 FEEB C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(S(=O)(=O)N(C)C)cc1 13341505 GPGGXRHEIJLHLW-LDADJPATSA-N 361.423 2.471 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 5370705 RIMPXQJTQJWWAX-DCFQSUQFSA-N 352.481 2.315 30 40 FEEB C=CCN1/C(=N/C(=O)CCC2CCCC2)S[C@H]2CS(=O)(=O)C[C@H]21 5325256 OCDMVFYOOZBOBV-HJPHCXOUSA-N 356.513 2.240 30 40 FEEB Cc1cc(N2CCOCC2)nc(N(CCO)Cc2ccccc2)c1C#N 71283897 YZEQUHWUCCKFQG-UHFFFAOYSA-N 352.438 2.097 30 40 FEEB C/C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100750211 WXEVZMZTHQDYCI-BWFSRRFWSA-N 360.410 2.098 30 40 FEEB biogenic C[C@@H](Sc1nnc(C(C)(C)C)n1N)C(=O)N(C)C1(C#N)CCCCC1 21246536 RDQCVLQAMXZXHO-GFCCVEGCSA-N 364.519 2.455 30 40 FEEB N#Cc1cc(CN2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)ccc1F 108525808 PAPFSSSWBDQWNN-UHFFFAOYSA-N 363.458 2.134 30 40 FEEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(c2ccccc2O)CC1 57406254 OKUDKFNPWBWVPO-OAHLLOKOSA-N 350.422 2.413 30 40 FEEB COc1ccc(CCN2CCN(c3nnc(C)c(C)c3C#N)CC2)cc1 58180739 ROWHCLCXHWCUMC-UHFFFAOYSA-N 351.454 2.338 30 40 FEEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)CNC(=O)CC(C)(C)C)c1 66003257 DFRHXSLQVJJVHG-UHFFFAOYSA-N 354.428 2.087 30 40 FEEB Cc1cc(C#N)nc(NC[C@H](CO)Cc2ccccc2C(F)(F)F)n1 557627883 QMPRGCFIKNJYHI-GFCCVEGCSA-N 350.344 2.939 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(c4cc(C(F)(F)F)ncn4)C[C@@H]3C2)nc1 1888854247 NVTIKAGHMWIACO-STQMWFEESA-N 360.343 2.335 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 103911688 TTZRFYFUIJDJDG-SELCWUDQSA-N 367.401 2.499 30 40 FEEB O=C(NCC1CC1)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 43669648 FFXICVNRJVMDEB-UHFFFAOYSA-N 364.471 2.469 30 40 FEEB C=CCn1c(C)cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c1C 3428348 QNYPXKNTNKIRHT-UHFFFAOYSA-N 353.382 2.077 30 40 FEEB NC(=O)c1c(/N=C2\C(=O)N(CO)c3ccccc32)sc2c1CCCC2 9943065 LMOKZIZZQLXOHU-HKWRFOASSA-N 355.419 2.143 30 40 FEEB CC(C)(C)OC(=O)N1CCN(c2nc(-c3cnccn3)ccc2C#N)CC1 22115451 KPBRIWKXOMQZHH-UHFFFAOYSA-N 366.425 2.467 30 40 FEEB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCN(c2ccccc2C#N)CC1 65511810 LHJCTUJGHQPPJM-WMZOPIPTSA-N 357.454 2.181 30 40 FEEB CCSc1nnc(C)n1/N=C/c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 17074384 HGQXPLVONZXVGE-FRKPEAEDSA-N 361.387 2.327 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(C#N)cc2)C1=O 408534040 KWQSPXXOZBWCCH-CQSZACIVSA-N 362.345 2.168 30 40 FEEB C=CCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(C(=O)OC)=C1C 408894413 QKOZFEBCWGDNKD-LCYFTJDESA-N 358.350 2.462 30 40 FEEB N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3noc4ccc(F)cc34)C2)nc1 563495693 HJJRIOMILQKLOF-AWEZNQCLSA-N 366.352 2.456 30 40 FEEB C=CCSc1nnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 225330533 UICCOPGFEUSKNP-UHFFFAOYSA-N 370.481 2.440 30 40 FEEB CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 6438736 RDHFPMQOAFSZSN-SNVBAGLBSA-N 356.245 2.385 30 40 FEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1 12420996 SOUVFFGHLCEOKZ-UHFFFAOYSA-N 360.439 2.454 30 40 FEEB O=c1cccc2n1C[C@H]1C[C@H]2CN(/C(=N\O)c2cnc3ccccc3n2)C1 100248566 OGOADDPJQPPQPT-VUVNTABSSA-N 361.405 2.047 30 40 FEEB N#Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCC2 1465761 HXEQPJAZDLTKGG-UHFFFAOYSA-N 351.387 2.343 30 40 FEEB C=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)[C@@H]1CCS(=O)(=O)C1 58210693 SQNCWGCHLKPVHM-MRXNPFEDSA-N 374.462 2.394 30 40 FEEB CN([C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1)S(C)(=O)=O 223691029 ITIBUMJAFNFPAJ-QGZVFWFLSA-N 357.435 2.324 30 40 FEEB COC(=O)[C@@H]1C=C(B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 584646479 ISJQEQWADIXBBC-LBPRGKRZSA-N 353.224 2.337 30 40 FEEB Cn1ccnc1CN1CCCC[C@H]1c1cnc(Nc2ccc(C#N)nc2)cn1 585294014 MTUIJJPUPUDEIR-SFHVURJKSA-N 374.452 2.948 30 40 FEEB COc1ccc(C/C(O)=N/S(=O)(=O)c2c(C)noc2C)cc1OC 48490147 GQPIIBCPJIHBLK-UHFFFAOYSA-N 354.384 2.197 30 40 FEEB C=CCOC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)O 51943402 BRDAVNPSYONQDX-CYBMUJFWSA-N 368.430 2.485 30 40 FEEB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2ccccc2C#N)C1 2055750807 ZVNKMSJBKUOUEC-FQEVSTJZSA-N 352.413 2.500 30 40 FEEB O=S(=O)(/N=C(\O)c1cc(Cl)c2c(c1)OCCO2)c1cccnc1 42321871 VIXONIPQWNGSMI-UHFFFAOYSA-N 354.771 2.200 30 40 FEEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1 8254612 FOMAXICMHIYBMO-OFQRWUPVSA-N 359.495 2.334 30 40 FEEB biogenic,in-vitro O=c1[nH]c(-[n+]2ccccc2)c(/C=N\NC(=S)Nc2ccccc2)s1 13142166 WMOKSXMMLSWEIA-UHFFFAOYSA-O 356.456 2.034 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 4248253 JEHWKDFDBLLYFZ-CQSZACIVSA-N 351.406 2.274 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 4814150 VFBNPTZTAKXDGJ-AWEZNQCLSA-N 371.824 2.302 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c(Cl)c1 97054147 QPMGNSMJKBGDSM-AWEZNQCLSA-N 363.826 2.449 30 40 FEEB Cc1ncsc1C(=O)NC1(C#Cc2cncc(C(N)=O)c2)CCCCC1 12224534 FFOINWLKTRNCMS-UHFFFAOYSA-N 368.462 2.430 30 40 FEEB O=[N+]([O-])c1cnn(Cc2ccc(/C=N/n3c(S)nnc3C(F)F)o2)c1 2789868 KZIAZRJMILOGNI-AYSLTRBKSA-N 369.313 2.133 30 40 FEEB Cn1c(C2=C(N)N(Cc3ccc4c(c3)OCO4)CC2=O)nc2ccccc21 11906254 XWKIBPKZHIGJEE-UHFFFAOYSA-N 362.389 2.014 30 40 FEEB CN(CC(=O)N(CCC#N)c1ccccc1)[C@@H](C(N)=O)c1cccc(F)c1 58264811 FZUULLIVDSQDNI-LJQANCHMSA-N 368.412 2.231 30 40 FEEB Cc1ccc2nc(N/C(N)=N/S(=O)(=O)c3ccccc3)nc(C)c2c1 3900882 WQTRUMSSCCNDBI-UHFFFAOYSA-N 355.423 2.362 30 40 FEEB COc1ccc(/C(C)=N/Nc2cc(C)nc(N3CCOCC3)n2)cc1OC 4372483 WJBBAELOIOEEKL-HYARGMPZSA-N 371.441 2.475 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 16976414 WUIZIYNOYRKALG-HNNXBMFYSA-N 354.318 2.469 30 40 FEEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(CCc4ccccc4)c3nc12 6809449 UVKIJLPWIFRQLP-UHFFFAOYSA-N 356.385 2.432 30 40 FEEB Cc1ccc(C(=O)O)cc1NC(=O)CSc1nc(N)c(C#N)cc1C#N 30831892 WPMMCEPGBGVSDR-UHFFFAOYSA-N 367.390 2.145 30 40 FEEB CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 33918402 ABLNQMKQYJQVRR-DTFZEZHYSA-N 362.422 2.260 30 40 FEEB C=CCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O 40158921 WEJZVAGQAYIAJY-KGLIPLIRSA-N 373.478 2.358 30 40 FEEB COc1ccc(NC(=O)CO/N=C2\C(=O)Nc3ccc(OC)cc32)cc1 40151431 FPCJITSFEDFWPH-UHFFFAOYSA-N 355.350 2.015 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 10902970 GQQJVJGQHSWLBY-UHFFFAOYSA-N 365.389 2.477 30 40 FEEB CNC(=O)c1nnn(/N=C\c2ccc(F)cc2)c1OCc1ccccc1 33337997 CTYKITHRPULTSS-NHDPSOOVSA-N 353.357 2.238 30 40 FEEB COc1ccc(CN2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 24014301 FMKFDSYCIFKXDI-UHFFFAOYSA-N 365.433 2.290 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)C(O)=NC1=S 1299119 ZWUVSDJNYIQQIM-PKNBQFBNSA-N 362.407 2.365 30 40 FEEB CCN1CCN(C(=O)c2ccc(NC(=O)c3cc(C#N)[nH]c3C)cc2)CC1 590626221 DINDHKAIRRCCPK-UHFFFAOYSA-N 365.437 2.225 30 40 FEEB N#C[C@@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 618256031 DKSSVUKCULUNJL-LSDHHAIUSA-N 374.360 2.396 30 40 FEEB N#Cc1cnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1N 5022162 IXSCRQBEQUJDMK-UHFFFAOYSA-N 370.463 2.473 30 40 FEEB Cc1cc(C)nc(SCC(=O)OCC(=O)Nc2sccc2C#N)n1 7778428 HEVIVDWLLXNAEP-UHFFFAOYSA-N 362.436 2.301 30 40 FEEB CCOc1ncccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 23437584 OATSNEGHGJFULQ-UHFFFAOYSA-N 350.422 2.310 30 40 FEEB CN(C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C1CCCCC1 58217508 KLUOTAWYSMKMKQ-HXUWFJFHSA-N 368.437 2.116 30 40 FEEB N#CCOC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3353725 ITXNZORTXJWJGI-UHFFFAOYSA-N 356.403 2.114 30 40 FEEB CC(=O)Oc1ccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)cc1 4681975 DFUHECNZYVNSTM-WOJGMQOQSA-N 357.391 2.027 30 40 FEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)n1 1565544590 NPYQHOXBEVLUCK-LJQANCHMSA-N 372.444 2.291 30 40 FEEB Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 7282882 UKCCKFIUSAJHDY-UHFFFAOYSA-N 357.435 2.117 30 40 FEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCC(C)(C)CN(C)C 32806230 VGRRGSAPQNBOAW-CYBMUJFWSA-N 355.442 2.410 30 40 FEEB COc1ccc([C@@H]2NC(=O)C(=O)/C2=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 104083793 UAZWNBIVNYVZLW-IDTYTIONSA-N 354.318 2.313 30 40 FEEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)CC)nnc12 3599461 PVOXBDCDWBDKNA-LBPRGKRZSA-N 371.466 2.237 30 40 FEEB C[C@@H](NC(=O)c1ccccc1)/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48505282 AFCCEYBFXIDWMB-CYBMUJFWSA-N 371.418 2.163 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccnc1 6812671 PTXQINAJIVSWGK-UYTDBDHRSA-N 355.394 2.048 30 40 FEEB CC[C@H](C)NC(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 31610500 TYYPTSMTPZBURB-NSHDSACASA-N 372.450 2.324 30 40 FEEB CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225668435 PBQBRRSSGBNDSA-RLFYNMQTSA-N 367.467 2.358 30 40 FEEB N#Cc1cccc(CN2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c1 247633235 CEMCBJOJUDTIAK-PMACEKPBSA-N 352.438 2.205 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 101316693 GCPMYUYAAISWPX-BPEGEEEXSA-N 352.481 2.431 30 40 FEEB CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2339024 AXEUGPWKZYBBST-AWEZNQCLSA-N 354.410 2.417 30 40 FEEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 4248285 FJPZAZUTBYGKLK-AWEZNQCLSA-N 366.421 2.152 30 40 FEEB N#CCc1ccc(OC[C@@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 14186605 FNUJCFXIUJGZHO-HNNXBMFYSA-N 353.353 2.042 30 40 FEEB C[C@@H]1CN(Cc2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)C[C@@H](C)O1 95460644 PAURRBJAQBJUQW-RKVPGOIHSA-N 359.495 2.377 30 40 FEEB COc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2OC)C1=O 408537733 WVKYXTIPOZRMHT-GFCCVEGCSA-N 367.361 2.305 30 40 FEEB CN(C)c1ccc(/C=N\n2nnnc2/N=C/c2ccc(N(C)C)cc2)cc1 35183039 HHULADGYZJUIIZ-NAWSQEDCSA-N 362.441 2.438 30 40 FEEB CNC(=O)N(O)[C@@H]1N(/N=C/c2ccccc2OC)C(=S)SC1(C)C 4795115 SCRKGNWPTAUYHH-UWONZBIMSA-N 368.484 2.498 30 40 FEEB Cc1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 100237574 RLGVJTSLMWJIQA-LFVOLOKBSA-N 351.362 2.290 30 40 FEEB C#CCOc1ccc(CCNC(=O)CN(C)C(=O)c2cccs2)cc1 58227779 BSZYGHSRGUTCIA-UHFFFAOYSA-N 356.447 2.191 30 40 FEEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)N1CCOCC1 6759661 QYVIWPWCIRPBTQ-UHFFFAOYSA-N 358.398 2.185 30 40 FEEB C=CCn1c(N2CCC(C(=O)Nc3nc[nH]n3)CC2)nc2ccccc21 12219404 QCJZPLGFLIAQBJ-UHFFFAOYSA-N 351.414 2.196 30 40 FEEB CCOC(=O)C1=C(C)O[C@](C)(/N=C(\C#N)C(=O)OC)[C@@H]1c1ccccc1 17176133 SIZIZLMFQYOYHY-KZALBKFESA-N 356.378 2.491 30 40 FEEB CCOC(=O)[C@H]1[C@H]2CCC/C(=N/NS(=O)(=O)c3ccc(C)cc3)[C@@H]21 104157890 SYEXJYQWAYIRHY-PIZULNHMSA-N 350.440 2.239 30 40 FEEB COCCN1CC[C@]2(CCCN(C(=O)c3ccc(C#N)cc3)CC2)C1=O 108532040 GTKFFGYDXFZUNC-HXUWFJFHSA-N 355.438 2.049 30 40 FEEB C=CCn1cc(CN2CCc3nc4cc(C)nn4c(O)c3CC2)c(C)n1 100775110 UHTRGDAIVANXQO-UHFFFAOYSA-N 352.442 2.035 30 40 FEEB COC(=O)[C@H](C)CN(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 58316384 MIEZDVOWAZAKSD-MRXNPFEDSA-N 357.454 2.250 30 40 FEEB COC(=O)c1cc(CNC(=O)COc2ccc(C#N)cc2)ccc1OC 18061035 FEEZFSYFSRULNV-UHFFFAOYSA-N 354.362 2.049 30 40 FEEB Cc1nc2c3ccccc3nc(SCC(=O)N[C@](C)(C#N)C3CC3)n2n1 8756359 VQKQLWFAGKOSJI-GOSISDBHSA-N 366.450 2.487 30 40 FEEB COc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21 6809448 VQHMTEMDIIALQO-UHFFFAOYSA-N 358.357 2.187 30 40 FEEB C=CCOc1ccc(/C=C2/NC(=O)NC2=O)cc1I 408916526 DUZAFPFYWTZHHJ-JXMROGBWSA-N 370.146 2.036 30 40 FEEB N#Cc1ccc(-c2ccc(F)cc2)n(CC(=O)NCc2ccco2)c1=O 5000834 AYEDBFNAWAMOTQ-UHFFFAOYSA-N 351.337 2.435 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 100937650 QXWGRJKLRCVYDW-RGHHBTPQSA-N 372.899 2.347 30 40 FEEB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 10553107 IZASTWKJGRTETD-AWEZNQCLSA-N 365.389 2.167 30 40 FEEB Cc1ccc(Nc2nc(N)nc(CSc3ncc(C#N)c(N)n3)n2)cc1 12534199 AVBFAGBWUQWTOI-UHFFFAOYSA-N 365.426 2.042 30 40 FEEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 12935195 FZXCDQUDRPBBPP-CQSZACIVSA-N 363.373 2.321 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 3535168 SINZYLZIVAQGNC-HNNXBMFYSA-N 353.762 2.459 30 40 FEEB COc1cccc(/C=N/NC(N)=S)c1OCc1ccc([N+](=O)[O-])cc1 409082151 RFKLAQLEDLGNKQ-GIJQJNRQSA-N 360.395 2.350 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2nc3ccccc3s2)C1 225800274 ZJKHIHIYUYJYQQ-LLVKDONJSA-N 351.391 2.251 30 40 FEEB C/C(=N\Nc1cc(N2CCOCC2)nc(C)n1)c1cccc([N+](=O)[O-])c1 5003248 NUGXHRXXPNHYDL-UDWIEESQSA-N 356.386 2.366 30 40 FEEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccc(O)c1 102527869 ADXQDQLCNQCDPN-IBOXJLQUSA-N 357.362 2.443 30 40 FEEB COc1ccc(NC(=O)CO/N=C/c2ccc3c(c2)OCO3)cc1OC 3579241 ZCHFPUYLIJKNBN-DJKKODMXSA-N 358.350 2.422 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218657241 MRGPIPIRANVGLC-XEZPLFJOSA-N 373.858 2.313 30 40 FEEB COc1ccccc1[C@@H](C#N)NC(=O)c1cnc(C2CCN(C)CC2)[nH]1 685942069 MROSZJQDSHLXIC-OAHLLOKOSA-N 353.426 2.222 30 40 FEEB CC(=O)N[C@H](/C(O)=N/S(=O)(=O)Cc1ccccc1C#N)C1CCCC1 48506033 GIHAVIFCZVNLBM-INIZCTEOSA-N 363.439 2.039 30 40 FEEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)c1OC 40283340 AFXBYDQDMFEECF-MRXNPFEDSA-N 368.393 2.021 30 40 FEEB CN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1 3606614 GCWHRHVIEBATIB-UHFFFAOYSA-N 363.826 2.471 30 40 FEEB Cc1cccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 11907240 CFSNCLWFQPZSKD-XJFZTKQQSA-N 352.481 2.252 30 40 FEEB N/C(=N/OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccsc1 54177155 GPTSNKMXYRCWBE-UHFFFAOYSA-N 355.322 2.345 30 40 FEEB C#Cc1cccc(NS(=O)(=O)c2ccc(OCCC(=O)OC)cc2)c1 58004688 HGBFIDNUABEYOG-UHFFFAOYSA-N 359.403 2.411 30 40 FEEB Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 13692580 MXLXBNLCWPCQMZ-KRWDZBQOSA-N 368.437 2.166 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(OC)c1 5370920 CEYIAPZASAIFQH-XJFZTKQQSA-N 368.480 2.097 30 40 FEEB COc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408531353 GTUXORVWTCWQTM-LLVKDONJSA-N 355.325 2.436 30 40 FEEB CCS[C@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(CC(=O)O)C(=O)N1C 62716304 SFWYZNGMKRLNQL-INIZCTEOSA-N 364.379 2.100 30 40 FEEB Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ncc(C#N)cc2Cl)C3)n1 685942315 IKSWNYWDKVEQLE-SJCJKPOMSA-N 357.801 2.492 30 40 FEEB C=CCNc1nc(C(=O)OCC(=O)N2CCc3ccccc3C2)cs1 10135870 CSGOGBNATCNXGV-UHFFFAOYSA-N 357.435 2.483 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)c3ccc(OC)cc3OC)C[C@H]2C)C1=O 1614932584 DFVLMVYGDPBIRU-JLTOFOAXSA-N 358.438 2.200 30 40 FEEB Cc1ccc(N(CC#N)C(=O)CS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3269767 IWEKRZXKYMZVGT-UHFFFAOYSA-N 373.390 2.234 30 40 FEEB C=CCN(C(=O)Nc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 89990993 KGBSBBSDIMSQBX-AWEZNQCLSA-N 368.455 2.301 30 40 FEEB O=C(O)COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 408925253 QTFBUNJQPKRIBT-LZYBPNLTSA-N 360.282 2.412 30 40 FEEB COc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 4683705 YASPKPYQUUOCES-XDHOZWIPSA-N 361.423 2.356 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl 101316577 NCRDPORGBNIPPH-OVJMFRMASA-N 372.899 2.347 30 40 FEEB N#Cc1ccc(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 22801468 CWJUPIGNZZFQHS-UHFFFAOYSA-N 352.413 2.454 30 40 FEEB Cc1nn(Cc2cccc(C(=O)N3CCCCC3)c2)c(=O)c(C#N)c1C 54915287 NSVIRTQCHWJUBE-UHFFFAOYSA-N 350.422 2.406 30 40 FEEB N#CC1(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)CCCC1 12538076 NSQNLURKULGYDE-UHFFFAOYSA-N 351.414 2.039 30 40 FEEB N=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)N[N+](=O)[O-] 408974651 GBTJFVUMACKGOT-AWQFTUOYSA-N 354.345 2.468 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)OC23C(=O)c2ccccc2C3=O)cc1 4312373 AQCMCCUOTNAPBA-UHFFFAOYSA-N 364.309 2.065 30 40 FEEB biogenic O=c1c2ccccc2c(C/C(O)=N/c2ncn[nH]2)nn1Cc1ccccc1 95472890 UXCKZSUHNMWQCD-UHFFFAOYSA-N 360.377 2.394 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)CNC(=O)c2ccc(C)s2)cc1 48582965 YXDDUMPIVXLZDB-UHFFFAOYSA-N 368.436 2.140 30 40 FEEB C[C@@H](OCC1CC1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 64666843 CKRMUIUMUHNUHF-LLVKDONJSA-N 355.412 2.308 30 40 FEEB C=CCN(C(=O)CSc1nc2c(=O)[nH]cnc2n1CC)c1ccccc1 12413703 IPELEXNOSJVRKU-UHFFFAOYSA-N 369.450 2.451 30 40 FEEB biogenic,in-vitro C=CCN1C(=O)c2ccc(C(=O)NCCOc3ccccc3F)cc2C1=O 13004356 PBOWPWPLJLDJSQ-UHFFFAOYSA-N 368.364 2.417 30 40 FEEB Cn1cc(-c2cnc(OC3CCN(c4cnccc4C#N)CC3)nc2)cn1 1889149538 JLLMDRWWNNOIAF-UHFFFAOYSA-N 361.409 2.192 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 16995138 YSRDLQFOMABVER-OAHLLOKOSA-N 354.318 2.469 30 40 FEEB CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cn1 40158101 CJZHLGRPAHUTBN-UHFFFAOYSA-N 363.465 2.170 30 40 FEEB N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 23757331 CKKMEAGVPFHSCV-UHFFFAOYSA-N 359.426 2.204 30 40 FEEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 95915218 KRUNUBNEDARZSE-WBWGMUNBSA-N 374.434 2.222 30 40 FEEB COc1ccccc1/C=C/C(O)=N/S(=O)(=O)c1ccc(C(N)=O)cc1 48509776 HBKQLHCPCUSYCV-DHZHZOJOSA-N 360.391 2.153 30 40 FEEB N#Cc1nccnc1N1CCC(CNC(=O)/C=C/c2cccs2)CC1 206601712 ZWGWJNDDEFFSLW-ONEGZZNKSA-N 353.451 2.456 30 40 FEEB COc1cc2c(cc1OC)[C@H]1[C@H](C)C(=O)C3=C(CSCC3=O)N1CC2 4580262 YIFQANBRSXPXSB-XTZNXHDOSA-N 359.447 2.392 30 40 FEEB O=C1C[C@@H](/C(O)=N/c2ncn[nH]2)CN1c1ccc(Br)cc1 23140823 ZTAZKELAYNSOEA-MRVPVSSYSA-N 350.176 2.208 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3492989 LXLBSBMPICVQLR-HNNXBMFYSA-N 364.862 2.462 30 40 FEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 1015881 BYYUKQOHYHJBBZ-VXJOIVPMSA-N 359.279 2.133 30 40 FEEB CCCn1c(SCC(=O)N(CCC#N)c2ccccc2F)n[nH]c1=O 7528918 QTZPHHHAHAFLHU-UHFFFAOYSA-N 363.418 2.159 30 40 FEEB C#CCN1CCCC[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 58250281 AMDCDXRWTMEAHB-AWEZNQCLSA-N 355.360 2.127 30 40 FEEB C=CCN(Cc1ccccc1F)C(=O)CN(C)c1ncnc2[nH]cnc12 58282335 BKZCIWAWKIVMTK-UHFFFAOYSA-N 354.389 2.143 30 40 FEEB N#Cc1ccc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)nc1 14141406 YZYJBYWXNKJDPI-UHFFFAOYSA-N 364.405 2.215 30 40 FEEB C=CCSc1nnc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)s1 6657431 BCAKYVVEFIELFV-UHFFFAOYSA-N 359.436 2.234 30 40 FEEB CCOC(=O)C1=C(C)NC(=NC#N)N[C@H]1c1ccc(Br)cc1 408731750 PNVGZACIEYXWNE-ZDUSSCGKSA-N 363.215 2.357 30 40 FEEB C=CCNC(=S)Nc1cc(NC(=S)NCC=C)cc(C(=O)O)c1 216930899 ZVKLWJFXZJVZDW-UHFFFAOYSA-N 350.469 2.330 30 40 FEEB COc1ccc(/C=N/Nc2cc(N3CCOCC3)nc(C)n2)c(OC)c1 5003252 ZTDNRMIMFWZHTL-XDHOZWIPSA-N 357.414 2.085 30 40 FEEB CCOC(=O)c1c(NC(=O)CC)sc2c1CCC/C2=N\NC(N)=S 5241881 JZFUBHGTUIEFHV-GIJQJNRQSA-N 368.484 2.147 30 40 FEEB C=CC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 101327211 LSVIWPNZJIGKRQ-VJUSVONASA-N 367.513 2.255 30 40 FEEB CCc1ccc(S(=O)(=O)/N=C2/S/C(=C/N(C)C)C(=O)N2CC)cc1 100973034 RORZMDVSXFVGQB-YYFCYBIDSA-N 367.496 2.292 30 40 FEEB CS(=O)(=O)Cc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1 56466335 BXSLVQQHDLBGAH-UHFFFAOYSA-N 356.447 2.082 30 40 FEEB COc1ccccc1N1CC[C@@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 58180880 RVTPATQKTHONHT-INIZCTEOSA-N 371.462 2.372 30 40 FEEB C=CCn1c(O)nc(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2CC)c1=O 9041344 CZAGSXVMVVKPMP-QGZVFWFLSA-N 366.421 2.289 30 40 FEEB biogenic CC/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc(OC)c(OC)c1 6377953 XCAVDHVWWDOSMO-DVDIPCOMSA-N 351.472 2.461 30 40 FEEB CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 409409114 SUDCPLVATJNEHZ-GVAFMPQTSA-N 355.350 2.135 30 40 FEEB CN(C)c1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533061 JHYBKXHVKUFWCL-CLROSIBMSA-N 368.437 2.338 30 40 FEEB CN(C)C(=O)C[C@@]1(O)CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 591617997 MKSXVXJXCIXKJT-INIZCTEOSA-N 355.360 2.387 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1OC 1188998 SDANLBNXRDVLKC-ISCRKHIVSA-N 352.390 2.235 30 40 FEEB C/C(=N\C(C)(CO)CO)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643596 XWHLOLMDJVBSIZ-HYARGMPZSA-N 366.417 2.249 30 40 FEEB N#CCC[C@H](C#N)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 24589478 MNTTVMOMHKFSLO-OAHLLOKOSA-N 359.861 2.340 30 40 FEEB C=CCOc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 57124117 RKXSBSMAFKVERP-UHFFFAOYSA-N 367.448 2.456 30 40 FEEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48470501 SJXSBZZICMCIOS-UHFFFAOYSA-N 363.391 2.298 30 40 FEEB COc1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408741752 RWQOWVRROMVAOW-BKQORJHRSA-N 353.403 2.462 30 40 FEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCCCC3)o2)o1 71286378 YYFHEJWSGNLHOD-UHFFFAOYSA-N 350.400 2.047 30 40 FEEB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cnc(C#N)n2)cs1 21915136 BBQKGMMWCKYPEI-UHFFFAOYSA-N 350.407 2.171 30 40 FEEB N#CCC[C@@H](C#N)Cn1c(C[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 25062884 UJIJPKHCHHSOFD-GJZGRUSLSA-N 356.451 2.457 30 40 FEEB CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2cccc(C#N)c2)nn1 216757829 PUYHIOHPDHHQCE-LJQANCHMSA-N 358.405 2.419 30 40 FEEB C[C@H](OCC1CC1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 68335871 CKRMUIUMUHNUHF-NSHDSACASA-N 355.412 2.308 30 40 FEEB N#Cc1nc(COc2ccccc2Cl)oc1N1CCC(C(N)=O)CC1 794742 KOBGMGDHPHRVCS-UHFFFAOYSA-N 360.801 2.480 30 40 FEEB N#Cc1cn(C2CC2)c(=O)n(Cc2cc(Cl)c3c(c2)OCCCO3)c1=O 23103850 CFEAFXMLHZKRSA-UHFFFAOYSA-N 373.796 2.080 30 40 FEEB CC(C)Cc1noc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)n1 58279468 NCKCPRLVGMINKA-SFHVURJKSA-N 353.382 2.107 30 40 FEEB C=CCn1c(SCCn2nc3ccccn3c2=O)nnc1-c1ccco1 31849579 SJDVFZOYKJJBSL-UHFFFAOYSA-N 368.422 2.326 30 40 FEEB C=CCN1CCO[C@@H]2CCN(S(=O)(=O)c3sccc3C)CC[C@H]21 2055745950 UPDAFFYKBYFCMM-HUUCEWRRSA-N 356.513 2.096 30 40 FEEB N#Cc1cccc(CN2CC[C@@H]3OCCN(C(=O)c4ccco4)[C@H]3C2)c1 108530806 TVNYULJSOLBPET-ROUUACIJSA-N 351.406 2.267 30 40 FEEB C[C@H]1CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NC2CC2)C[C@@H](C)O1 12622690 FLEQTDQLCKIVDS-GUTXKFCHSA-N 365.437 2.129 30 40 FEEB C#CCNC(=O)c1ccccc1NCc1cc(=O)n2c(C)csc2n1 58186399 ATDBQJZAQSVSSM-UHFFFAOYSA-N 352.419 2.040 30 40 FEEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc5c(c4)OCO5)cnc3c2c1 2228094 SAWFZXBBCSQELR-ODCIPOBUSA-N 362.345 2.497 30 40 FEEB C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)C1=O 4488327 KBUHJGDMSYVURP-CYBMUJFWSA-N 362.407 2.442 30 40 FEEB COc1ccccc1C/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408527960 AKWOYGRTQHKELZ-SRRANQMSSA-N 369.352 2.304 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(C#N)cc2)C1=O 408534039 KWQSPXXOZBWCCH-AWEZNQCLSA-N 362.345 2.168 30 40 FEEB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC#N)Cc1cccnc1 45798168 ZFVBDNAFVWYOJU-UHFFFAOYSA-N 360.395 2.403 30 40 FEEB CCNC(=O)COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1OC 40150602 YHCQJLDQLFYPPN-SOFGYWHQSA-N 357.410 2.148 30 40 FEEB N#Cc1ccc(C(=O)N2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)[nH]1 1775960297 DJYCHCMPJBJAAC-HNNXBMFYSA-N 365.315 2.493 30 40 FEEB C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/CO)CC(C)=CCC[C@@]1(C)O[C@H]21 958317931 CQZUJMJORLOTCJ-ONIRQNBNSA-N 362.422 2.222 30 40 FEEB CCOC(=O)/C(=N/NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccco1 1557351 MXKFADVJRJOHFY-OBGWFSINSA-N 364.423 2.451 30 40 FEEB CCOC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1csc(N)n1 21992420 GVGJDTAQZPCVCX-VCHYOVAHSA-N 357.432 2.129 30 40 FEEB in-vitro CCOC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c(C#N)c1C 1425323 QJYCQJYHTZPPII-UHFFFAOYSA-N 362.183 2.352 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C)cc1 20027327 TZFIIGMSSXVQOJ-SFHVURJKSA-N 358.438 2.002 30 40 FEEB C=C(C)CN(CC)C(=O)COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 11806662 IVTAUZIJAQXGFN-INIZCTEOSA-N 350.415 2.002 30 40 FEEB N#CC1(NC(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)CCCCC1 102815077 KUCBBGWRQDCAQE-HDKGLDDISA-N 360.454 2.204 30 40 FEEB CCOC(=O)/C(=N/Nc1ccc(I)cc1)C(C)=O 672260 HQMNXIAEGPJHLP-RVDMUPIBSA-N 360.151 2.211 30 40 FEEB C#Cc1cccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)nc2O)c1 58202919 JXBLOOHJTLBVTF-UHFFFAOYSA-N 363.295 2.156 30 40 FEEB Cc1nn(CC(=O)N[C@H](C)c2cc3ccccc3o2)c(=O)c(C#N)c1C 7385509 VRAGKDFZOLFXFF-CYBMUJFWSA-N 350.378 2.355 30 40 FEEB CC1(C)CC(=O)c2sc(/N=C(\O)CN3CCC(C(N)=O)CC3)nc2C1 32117936 BUBHPLLWNAGAJJ-UHFFFAOYSA-N 364.471 2.084 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1(C=O)NC(=O)OC(C)(C)C 218030131 FHOQQMNWWGYZEU-VBQJREDUSA-N 353.440 2.050 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245228720 DBMHIDLKZJEAQN-GQQNJKIQSA-N 370.540 2.318 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242554647 MRGPIPIRANVGLC-WOSRLPQWSA-N 373.858 2.313 30 40 FEEB N#CC1(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)CCCC1 1565554025 PFYKLHSVUJIIQN-CVEARBPZSA-N 351.454 2.259 30 40 FEEB C=CCNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305639 HEMMHHDQWXZZFA-MRXNPFEDSA-N 355.463 2.270 30 40 FEEB Cc1ccc2nc3c(cc(C#N)c(=O)n3CCc3ccccc3)c(=O)n2c1 6809456 LPHJUGBMWGXVPB-UHFFFAOYSA-N 356.385 2.432 30 40 FEEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC[C@@H]4CO)[C@H]3[C@@H]3O[C@@]132 12659881 WVSCSEOKEKFLHB-ZZGYJPPQSA-N 363.498 2.359 30 40 FEEB biogenic CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 5148364 DOBCAZWFPRDXNS-QPRSIOOTSA-N 352.481 2.397 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 20445326 BQOCKLURBPQTNJ-HJUNTIBCSA-N 366.508 2.330 30 40 FEEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 32506188 ODTFYBMCAAUOGU-OVZRNVPMSA-N 352.481 2.478 30 40 FEEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(C#N)C=O)cc1 225640791 XRCVMIFHAINYGN-GBESFXJTSA-N 369.398 2.372 30 40 FEEB COc1ccccc1CC(=O)N[C@H]1CC[C@H](Oc2nccnc2C#N)CC1 252570414 WRWKSAGHUMIELJ-WKILWMFISA-N 366.421 2.406 30 40 FEEB N#Cc1c(-c2ccco2)nc(SCn2nnc3ccccc32)[nH]c1=O 20534091 JBSAAGVPPQSCKW-UHFFFAOYSA-N 350.363 2.396 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 101312363 DOBCAZWFPRDXNS-FZJVYVCZSA-N 352.481 2.397 30 40 FEEB Cc1cc(C)cc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101309373 LAZWDEVEKZVHPI-UICBKRPASA-N 364.492 2.315 30 40 FEEB COC(=O)[C@@H](Nc1ccc(C)cc1)[C@]1(O)OC(c2ccccc2)=CC1=O 16293146 RSTKEMBGEHGOAV-UYAOXDASSA-N 353.374 2.278 30 40 FEEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1 1595807 HHVCWUQFAKYJLP-RQZCQDPDSA-N 367.814 2.316 30 40 FEEB COc1ccc(Cn2nnc3c(B4OC(C)(C)C(C)(C)O4)ccnc32)cc1 616569565 WEQQMITZSRILOY-UHFFFAOYSA-N 366.230 2.182 30 40 FEEB CCCc1nnc(/N=C(\O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 30606074 AHFLOGJWMCMWLH-GFCCVEGCSA-N 358.427 2.199 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(OC)c1 101313349 CEYIAPZASAIFQH-QLXQBBHQSA-N 368.480 2.097 30 40 FEEB COc1ccc(OCCN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 24588137 QXUWNLAXRKENPP-QGZVFWFLSA-N 356.422 2.317 30 40 FEEB CC(C)=NOC1(ON=C(C)C)N=C(N)[C@]2(C#N)[C@H](C(=O)C(C)(C)C)[C@@]12C#N 105106557 XIHJFXWXSRVLBY-AFAVFJNCSA-N 372.429 2.101 30 40 FEEB COC(=O)c1ccc(/C=N/OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 5981640 CCKSUZWPKNXMTK-RGVLZGJSSA-N 370.361 2.234 30 40 FEEB C=CCOc1cc(N(C)C)ccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409404515 DODGXHVVVBQQGL-KODHJQJWSA-N 365.433 2.458 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/Cc2ccccc2)C1=O 408534598 MJBUJLFJTGFAMZ-PVGUKEHMSA-N 351.362 2.165 30 40 FEEB COc1ccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc(C#N)cc2)cc1 408563540 MWNQGCAKSLWFIM-HXUWFJFHSA-N 365.389 2.399 30 40 FEEB O=C(O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 5026652 VUOQNZMMUFOZAP-INIZCTEOSA-N 355.321 2.489 30 40 FEEB O=C(O)C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccccc2)C1=O 100447238 UYCVDGBRJLZKHP-ORIGZDJFSA-N 369.402 2.438 30 40 FEEB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)Nc2sccc2C#N)c1 6566371 UJOPPUACZUKMAR-UHFFFAOYSA-N 371.418 2.148 30 40 FEEB COc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1OC 70462147 OBFSLXXNSNNAEC-UHFFFAOYSA-N 366.421 2.120 30 40 FEEB Cc1ccc(S(=O)(=O)N=C2NCN([C@@H]3CCC[C@H](C)[C@@H]3C)CN2)cc1 19329614 PQKMFLZHIKHBLP-YQQAZPJKSA-N 364.515 2.274 30 40 FEEB Cn1nc(C2CCN(c3nc4c(cc3C#N)CCC4)CC2)n(C2CC2)c1=O 1888863936 GXQSIVRRYIVETB-UHFFFAOYSA-N 364.453 2.056 30 40 FEEB NC(=S)N/N=C/c1ccccc1OC(=O)c1cc2ccccc2oc1=O 1465114 IZTMINWHYLUIKH-KEBDBYFISA-N 367.386 2.179 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(C[C@@H](O)c2ccccc2C(F)(F)F)c1 83891636 GRDRKUIVLNPULV-CQSZACIVSA-N 366.295 2.259 30 40 FEEB C=CCNc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9937907 PSAQWXGYRLOMQF-AWEZNQCLSA-N 367.453 2.332 30 40 FEEB COCCN1C(=O)C(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O 12810199 BYRWQZHSQQIVML-UHFFFAOYSA-N 363.373 2.162 30 40 FEEB CN(C)C(=O)Cn1cc2c(n1)[C@H](NC(=O)Nc1cccc(C#N)c1)CCC2 96002752 IAAUEYNDNKULQL-MRXNPFEDSA-N 366.425 2.042 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N\Cc3ccccc3)C2=O)cc1 408537286 UYBGGYWJKTZTSZ-SDLDRHLBSA-N 351.362 2.165 30 40 FEEB CCCNC(=S)NCCNc1nc2cc3c(cc2cc1C#N)OCO3 35311310 MLBOZWTXSATSHH-UHFFFAOYSA-N 357.439 2.121 30 40 FEEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218188677 VMZGUXZAYLUGGS-MBNYWOFBSA-N 372.240 2.033 30 40 FEEB CC1(C)OC(=O)C(=Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)O1 169975061 FJXDGPRVRQBGAT-UHFFFAOYSA-N 358.199 2.205 30 40 FEEB CCn1cc(CN=C2NS(=O)(=O)c3ccccc32)c(C(F)(F)F)n1 2086934223 CHIYSMNVBZQULL-UHFFFAOYSA-N 358.345 2.161 30 40 FEEB C#CCn1/c(=N/C(=O)CSCC(=O)N2CCCC2)sc2ccccc21 100825495 FJFFFXAKJOYFFQ-HNENSFHCSA-N 373.503 2.119 30 40 FEEB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)/N=C1/NCCS1 30871573 SKUIYYQUELQSNH-OAHLLOKOSA-N 358.467 2.070 30 40 FEEB C=CC[C@@]1(CO)C[C@@H](O)[C@H]2[C@@H](CC=C3CC4(CC[C@]32C)OCCO4)[C@H]1O 4831286 UATRNPBZSKTJEY-PJBUMPDVSA-N 364.482 2.163 30 40 FEEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(OCC)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908902 XQFSBGIWVHRTNS-KNBMTAEXSA-N 372.421 2.298 30 40 FEEB N#C[C@@H](C(=O)NC1CC1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 103504815 PPWLUJAGELQSBO-CYBMUJFWSA-N 352.369 2.101 30 40 FEEB C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)c1 48311514 IZXRAJJFWZXBMA-UHFFFAOYSA-N 374.418 2.410 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)Cc2c(C)noc2C)cc1OC 48492268 MVQQBKQDINMADL-UHFFFAOYSA-N 354.384 2.197 30 40 FEEB N#CCCN(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1 6077215 OUJZGNDRVPRWDC-UHFFFAOYSA-N 372.400 2.327 30 40 FEEB CCOCCCNc1nnc(SCC(=O)NC2(C#N)CCCC2)s1 9502003 BRJHPXAFTCDYNQ-UHFFFAOYSA-N 369.516 2.421 30 40 FEEB CS[C@H]1C(C(=O)C(C)(C)C)=C(CC(=O)O)C(=O)N1C[C@@H]1CCCO1 62716412 OGWFFXWLMQTAQZ-QFYYESIMSA-N 355.456 2.083 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32502854 BJZIXEKHKHOZPU-HJUNTIBCSA-N 370.471 2.473 30 40 FEEB COc1ccccc1-c1ccc(=O)n(C2CN(c3ncccc3C#N)C2)n1 1775974751 OEFGPUPLAXBDMZ-UHFFFAOYSA-N 359.389 2.247 30 40 FEEB COCCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 19593311 NYWLLLAHLGOIAZ-UHFFFAOYSA-N 360.417 2.433 30 40 FEEB N#Cc1nc(COc2ccccc2F)oc1NCCCN1CCOCC1 19911291 NDMIWRKXCLCFCL-UHFFFAOYSA-N 360.389 2.399 30 40 FEEB CCc1ncnc(N(C)CC2CCN(c3nccc(C#N)n3)CC2)c1F 1888863649 KFXVRQLLPDLDHI-UHFFFAOYSA-N 355.421 2.193 30 40 FEEB C[C@H](/C(O)=N/C1CC1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32777909 HSFINJXOLXQYFB-GFCCVEGCSA-N 355.398 2.436 30 40 FEEB N#Cc1c(NC(=O)COC(=O)c2cnccn2)sc2c1CCCCC2 3246610 LXRQOCRYYMHQAC-UHFFFAOYSA-N 356.407 2.474 30 40 FEEB C=CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 409038659 ALOZKYNJJZLZBG-UHFFFAOYSA-N 357.218 2.473 30 40 FEEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(C#N)CO)cc1 225640950 FAHZBRZTEJSCKF-GBESFXJTSA-N 371.414 2.166 30 40 FEEB C=CCN1CC[C@]2(CN(Cc3cnn(C)c3)C[C@H]2c2ccccc2)C1=O 96201892 BOHYEIKRMSCZPL-PZJWPPBQSA-N 350.466 2.424 30 40 FEEB CCCNC(=O)c1c(/N=C/c2cc(OC)c(OC)c(OC)c2)cnn1C 2798310 BRUYOMZXKOBOHG-KEBDBYFISA-N 360.414 2.336 30 40 FEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 3282432 UXBLXZJBVZRFQS-UHFFFAOYSA-N 357.391 2.073 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 101310759 YFFFKJDGVICJRS-FZJVYVCZSA-N 352.481 2.315 30 40 FEEB COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCO)c1 16742399 CFWLDIKGMZVTGL-OAHLLOKOSA-N 359.403 2.327 30 40 FEEB CCn1c(=O)c2c(nc(N/N=C/c3ccc(C(C)C)cc3)n2C)n(C)c1=O 36693394 QKXCRYUMPGKCJF-RGVLZGJSSA-N 368.441 2.023 30 40 FEEB C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 575420200 AOFGPUWNFAJUHS-INIZCTEOSA-N 357.497 2.057 30 40 FEEB CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCC#N)Cc1ccco1)C2=O 12947199 HTGROACTPKARBR-UHFFFAOYSA-N 372.425 2.023 30 40 FEEB Cc1nnc(SCc2nc3ccccc3c(=O)n2CC#N)n1C1CC1 7617539 ZOROCPOEBMXESG-UHFFFAOYSA-N 352.423 2.447 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2ccco2)c1 71837453 HBELYJZRBWEPID-OLZOCXBDSA-N 369.420 2.132 30 40 FEEB O=C(CCN1C(=O)CCC1=O)OCC#Cc1ccc(C(F)(F)F)cc1 72312605 VRENLZULIQAXTG-UHFFFAOYSA-N 353.296 2.139 30 40 FEEB C/C(=N/NC(=S)NCCCN1CCOCC1)c1cccc(Cl)c1 38687751 PWPVEZPVHZTPQE-UYRXBGFRSA-N 354.907 2.250 30 40 FEEB C=C[C@@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C(=O)O)CC[C@@H]4C[C@]34[C@]2(O)C(=O)C1 40879006 XKJPVKHJPNQLKG-KPHJKFSFSA-N 358.390 2.095 30 40 FEEB biogenic,in-vitro COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccc(C#N)cn2)cc1 583616033 DROIQMAFRSYBSA-UYAOXDASSA-N 351.406 2.474 30 40 FEEB CN(C)c1ccc([C@@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)nn1 591657104 GCBDTPAQIUDQJI-AWEZNQCLSA-N 356.817 2.440 30 40 FEEB C=CCN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298142 OBLDXPMLBOZDAR-OTWHNJEPSA-N 365.481 2.300 30 40 FEEB biogenic,in-vitro CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 5516433 XXBHLGZVICJEFR-XTJHUYNNSA-N 358.872 2.351 30 40 FEEB O=C1[C@H]2[C@@H](C(=O)[C@@]3(c4cc(Cl)ccc4Cl)O[C@@H]13)[C@H]1C[C@H]2[C@H]2O[C@@H]12 253618447 PTPJTLPLTXWJEC-KEHSEDBHSA-N 351.185 2.389 30 40 FEEB O=C1CC[C@@H]([C@H]2CCC/C2=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1O 4795249 WNGQDXDLPCVOHD-SSVNUPSBSA-N 362.342 2.411 30 40 FEEB Cc1c(C#N)c(NC(=O)CN2CCC(C(N)=O)CC2)n(C2CCCC2)c1C 29121324 OWBCKLITUWEQDH-UHFFFAOYSA-N 371.485 2.228 30 40 FEEB COc1ccc(-c2n[nH]c(/N=C(\O)CNC(=O)c3ccoc3)n2)c(OC)c1 58216569 BRCFLTJIUZELGM-UHFFFAOYSA-N 371.353 2.100 30 40 FEEB N#Cc1c(CSc2n[nH]c(=O)n2C[C@H]2CCCO2)cn2ccccc12 58370070 NAYPQLJAMFYQHB-CYBMUJFWSA-N 355.423 2.167 30 40 FEEB CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CC[C@](O)(C(F)(F)F)C1 72308488 ASTJVJUKVBNZOV-MRXNPFEDSA-N 373.350 2.045 30 40 FEEB C=CCN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(OC)cc1 22089313 RJXFXKLNHQSHDB-UHFFFAOYSA-N 360.435 2.171 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C#N)cc3)C2=O)c1 408527862 AEIZHLHTJSSVOF-MRXNPFEDSA-N 362.345 2.168 30 40 FEEB Cn1nc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1C(F)F 1623698045 PIPPLWWSKNZGRL-UHFFFAOYSA-N 357.324 2.250 30 40 FEEB N#Cc1ccc(OCC(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24031813 VPWDCDXONBGHGS-HXUWFJFHSA-N 365.433 2.127 30 40 FEEB c1cc2c(cc1C1=NN/C(=N\CCCN3CCOCC3)SC1)CCC2 12793358 ZDFWJXWQSAXFNU-UHFFFAOYSA-N 358.511 2.294 30 40 FEEB Cc1cc(=O)[nH]c(N/N=C/c2cn(CCC#N)nc2-c2ccc(F)cc2)n1 13302471 PDFOPESNRKUFAG-UFFVCSGVSA-N 365.372 2.441 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 5375678 YFFFKJDGVICJRS-SZGQWAQFSA-N 352.481 2.315 30 40 FEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)o1 71285268 POQRCOMYEXXRRH-UHFFFAOYSA-N 373.394 2.064 30 40 FEEB O=C(O)c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 409242896 WOZUGOKJHJOMPN-FYJGNVAPSA-N 368.389 2.373 30 40 FEEB COc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)cc1 225803691 NQJABDQGCQTOHP-IEXSPKMKSA-N 350.378 2.050 30 40 FEEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)c1ccc2c(c1)CCO2 48460389 UXOYOCQLGAKFKZ-UHFFFAOYSA-N 361.375 2.102 30 40 FEEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 12338822 NHKAVJRAKOMJDN-SJCJKPOMSA-N 353.374 2.351 30 40 FEEB CCOc1cccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)c1O 15008824 FSYHKMDTIZDZLQ-JMIUGGIZSA-N 361.377 2.003 30 40 FEEB COc1ccc2ccccc2c1/C=c1\sc(=C(C#N)C#N)n(C2CC2)c1=O 54995953 MFWOOEZJPUSHMY-GRSHGNNSSA-N 373.437 2.433 30 40 FEEB CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2cccs2)c1 4881057 FVJCELFVJQSXAM-XNTDXEJSSA-N 368.509 2.319 30 40 FEEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 77388428 HFZSAZVQRIQNLB-UHFFFAOYSA-N 366.446 2.249 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225670491 JECBMPMDVUMSFF-CKEIUWERSA-N 371.430 2.189 30 40 FEEB COc1ccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1F 206604572 IKLQZGSKOQGZOW-UHFFFAOYSA-N 369.400 2.142 30 40 FEEB Cc1cccn2c(=O)c3cc(C#N)c(=N)n(Cc4ccc(F)cc4)c3nc12 101148001 IAHYOZNBIOFYJU-UHFFFAOYSA-N 359.364 2.496 30 40 FEEB COc1ccc(C2CC(=O)C(=C3N[C@@H]4CCCC[C@H]4N3)C(=O)C2)cc1OC 9287954 SMZUMXAOIAAHPC-HUUCEWRRSA-N 370.449 2.435 30 40 FEEB COc1cc(C)c(N/C(S)=N\CCCN2CCOCC2)cc1OC 13687016 ZTGXGZAJGOCKKI-UHFFFAOYSA-N 353.488 2.432 30 40 FEEB CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)/C(O)=N/C1CC(F)(F)C1 329176339 LTVRYPBFAXZWCP-SWLSCSKDSA-N 355.433 2.447 30 40 FEEB C=CCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 5175944 BVCYRCUFEWOJOE-UHFFFAOYSA-N 358.463 2.488 30 40 FEEB C=CCN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 32770914 CRCUPIUPVBLIFR-QGZVFWFLSA-N 368.462 2.383 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(OC)cc1 102864956 VKNOKEAYTZIKTE-UYTDBDHRSA-N 357.362 2.356 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1ccco1 5576866 OWKPLIOSYLPVBE-IBOXJLQUSA-N 358.369 2.402 30 40 FEEB O=C(C[C@H]1S/C(=N\C[C@H]2CCCO2)NC1=O)Nc1ccc(F)cc1F 6671677 GEGBUWNTZKYGRS-ZWNOBZJWSA-N 369.393 2.060 30 40 FEEB O=[N+]([O-])c1ccc(/C=N\NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 34881022 REZHYZXMSTVEOF-ZAGBYUSBSA-N 372.366 2.335 30 40 FEEB C=CCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2c(C)noc2C)C[C@@H]1CC 5415215 NIFHKKCYODVIPY-GJZGRUSLSA-N 369.487 2.021 30 40 FEEB biogenic,in-vitro N#CC1(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)CCCCC1 13001304 KUCBBGWRQDCAQE-YAJBSZIVSA-N 360.454 2.204 30 40 FEEB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1/N=C/c1cccs1 2148501 AAQLRWLNCRZNLF-BSNPHMGVSA-N 364.430 2.359 30 40 FEEB biogenic Cc1nn(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c(=O)c(C#N)c1C 51293710 VVRKSGHZTCGCBG-CQSZACIVSA-N 353.300 2.364 30 40 FEEB O=C(C1=C(O)C(=O)N(CCOCCO)[C@H]1c1cccs1)c1ccccc1 6446219 JKLJWEIFZIETNI-INIZCTEOSA-N 373.430 2.335 30 40 FEEB CC(C)(C)OC(=O)N1CCC(NC(=O)COc2cccc(C#N)c2)CC1 57173813 RUUHDLXILUQFOJ-UHFFFAOYSA-N 359.426 2.453 30 40 FEEB O=c1c2ccccc2ncn1CC/C(O)=N/c1nc(C(F)(F)F)n[nH]1 26252924 UGIZGQQFGOLWSQ-UHFFFAOYSA-N 352.276 2.212 30 40 FEEB CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(CC#N)cc1 84631215 IDVQGKYTBYIYCF-MRXNPFEDSA-N 353.426 2.498 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 79158213 PXUCJHBSAOXMAG-ZWKOTPCHSA-N 354.385 2.067 30 40 FEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 48421560 ROBDHXVRGYJBNU-CYBMUJFWSA-N 350.440 2.431 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225633375 FHOQQMNWWGYZEU-JJRVBVJISA-N 353.440 2.050 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 95915205 HGUCMUSCDIICCD-FZJVYVCZSA-N 352.481 2.315 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(C#N)c2)C3)CC1 13566332 IQZOJOKFPNIFOC-UHFFFAOYSA-N 363.465 2.436 30 40 FEEB N#Cc1ccc(CC(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)cc1 2055795837 FQOYKGOWTIGKKW-UHFFFAOYSA-N 351.450 2.352 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(C(=O)NCC(F)(F)F)c1 40039171 KKFFBVXWSGGQCU-INIZCTEOSA-N 370.375 2.445 30 40 FEEB C=CCN1/C(=N\C(=O)CCC2CCCC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 101224949 OCDMVFYOOZBOBV-FZJVYVCZSA-N 356.513 2.240 30 40 FEEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2C[C@H]1O 89510034 LFCJSPBPRBVAGS-QUCCMNQESA-N 352.438 2.121 30 40 FEEB N#Cc1ccc(NC(=O)CCN2CCNC(=O)C[C@H]2c2ccccc2)cc1 60090318 QWZBHAMSPIKOLP-IBGZPJMESA-N 362.433 2.450 30 40 FEEB O=C(O)[C@@H](CS)n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387734 JQJZSEJFQQHMJQ-OAHLLOKOSA-N 366.402 2.267 30 40 FEEB N#Cc1ncccc1OCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 570746337 STEIKXVZRRLMLZ-UHFFFAOYSA-N 370.453 2.020 30 40 FEEB C#CCN1C(=O)N(CC#C)C(=O)C(CC#C)([C@@H](CC=C)c2ccccc2)C1=O 5601077 SAHZMSDZVVNQBP-IBGZPJMESA-N 372.424 2.413 30 40 FEEB C[C@@H](c1ccccc1Cl)N1CCN(CCC(=O)N(CC#N)CC#N)CC1 58134905 PLROEYHQBCDVJR-INIZCTEOSA-N 373.888 2.284 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cc(C)cc1C 5377534 YFRAQGXFVZPMHZ-SZGQWAQFSA-N 352.481 2.233 30 40 FEEB Cn1cc([C@H]2[C@H]3C(=O)CC(C)(C)C[C@@H]3O[C@@H](N)[C@H]2C#N)c(C(F)(F)F)n1 408717935 WBTSJQZSYFGMKH-LWMVMKKNSA-N 370.375 2.351 30 40 FEEB C[C@@](C#N)(NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 72952783 SLTSERDVHMBIKL-PXNSSMCTSA-N 357.454 2.182 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 408707458 BKCHNBDWHKFRNP-HNNXBMFYSA-N 365.433 2.461 30 40 FEEB Cc1ccc(S(=O)(=O)N=C2NCN([C@H]3CCCC[C@H]3C)CN2)cc1 19332647 FRWWBGRTYQVKEJ-ZBFHGGJFSA-N 350.488 2.028 30 40 FEEB C=CCN1C(=O)CCC12CCC(NC(=O)Cn1cc(Cl)cn1)CC2 2055819348 GXKOSHGDADHBMY-UHFFFAOYSA-N 350.850 2.143 30 40 FEEB C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 6170615 IONYSNPGZXQFGZ-LBPRGKRZSA-N 372.874 2.052 30 40 FEEB C[C@H](OC(=O)CN(C)c1ccc(C#N)cn1)C(=O)Nc1c(F)cccc1F 52261806 PEFMTNUMIAXSFH-NSHDSACASA-N 374.347 2.238 30 40 FEEB O=C1C(=O)N(CCO)[C@@H](c2cccc(O)c2)/C1=C(\O)c1ccc(Cl)cc1 102703736 YITBUDHRGLAEHQ-UYTDBDHRSA-N 373.792 2.460 30 40 FEEB C#CCOc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2 100765823 MNIKKYGCHWNPIX-ROUUACIJSA-N 351.450 2.447 30 40 FEEB COc1ccc(-c2nc3ncc4c(=O)n(CCS)ccc4n3n2)cc1 12324109 BJPXHRBQASDYSV-UHFFFAOYSA-N 353.407 2.045 30 40 FEEB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)cc1 12852618 AIMIPAMAGCCMBF-UHFFFAOYSA-N 371.823 2.383 30 40 FEEB C=CCc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)c1 12900943 MWXOMWPIJCKDRI-IKGGRYGDSA-N 371.433 2.115 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccnc2)cc1 5409054 YESNNHZCBSJHNG-CXAGYDPISA-N 352.390 2.349 30 40 FEEB C[C@H](OC(=O)[C@H]1CCC(=O)NC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 83862121 QOORDKBFKYMFAT-UQVNSJMISA-N 370.449 2.325 30 40 FEEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218152107 GOGLQIDWESQYDM-IRXDYDNUSA-N 352.371 2.389 30 40 FEEB N#C[C@@H](NC(=O)c1cc2n(n1)CCO2)c1ccc(OC(F)(F)F)cc1 570495931 AXSWKGFATOZYGW-GFCCVEGCSA-N 352.272 2.169 30 40 FEEB COc1ccc2[nH]cc(CC/N=C(\N)Nc3ncccc3[N+](=O)[O-])c2c1 225241978 PXIJMKSOUGIZHR-UHFFFAOYSA-N 354.370 2.449 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 16741065 GRNAJNAVFGVJJQ-WTIYMYMHSA-N 366.508 2.126 30 40 FEEB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 104308229 CSJSPNOKMAILIL-FXBPSFAMSA-N 372.450 2.455 30 40 FEEB CCN1C(=O)/C(=C\N(C)C)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100975469 OIBZCKYGLQBZAF-KDKDSYKCSA-N 373.887 2.383 30 40 FEEB NC(=O)COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 409226592 VDYRCBYDPCSHTH-UHFFFAOYSA-N 366.417 2.252 30 40 FEEB Cc1cc(C)nc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 4082530 FYZSRPDVDIUIOK-WOJGMQOQSA-N 356.386 2.284 30 40 FEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(NC(=O)c2ccc[nH]2)CC1 65514676 VDQVXSXKRRNHOP-AWEZNQCLSA-N 366.421 2.075 30 40 FEEB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2ccc(C#N)cn2)CC1 14303038 XBEIXAZSDRFVIV-SFHVURJKSA-N 354.385 2.129 30 40 FEEB CC(=O)c1cccc(O[C@@H](C)/C(O)=N/S(=O)(=O)C2CCOCC2)c1 71844006 NWFVHDFZPSIWFN-LBPRGKRZSA-N 355.412 2.122 30 40 FEEB C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 72310619 DZADLXCUVOWGHR-VXGBXAGGSA-N 360.845 2.237 30 40 FEEB CC(C)C(=O)N1CC[C@@H](NC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 95453903 ZLXAPYWZAQYEGK-CHWSQXEVSA-N 356.451 2.277 30 40 FEEB Cc1cc(C)nc(N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 409020509 QBHHHJNBLHNPCT-WQRHYEAKSA-N 356.386 2.284 30 40 FEEB NC(=S)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21 46085189 ZBMXEXUKQSUPDX-SILNSSARSA-N 354.435 2.040 30 40 FEEB C=CCN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1cccs1)CC2 96071943 NPYYHIACEQSFFO-INIZCTEOSA-N 354.497 2.470 30 40 FEEB CN(CC(=N)O)C[C@@H]1CN(C(O)=Nc2ncc(C(C)(C)C)s2)CCO1 331246043 PRICVKWDKDIILP-LLVKDONJSA-N 369.491 2.154 30 40 FEEB CCOCCC1(CN/C(=N/CCO)N2C[C@H](CC)O[C@@H](CC)C2)CC1 1615588433 GRDFFJXEYZUSQR-IRXDYDNUSA-N 355.523 2.021 30 40 FEEB COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 25703089 IPYFGELOQGNVGL-GOSISDBHSA-N 367.449 2.129 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(O)cc1 102525570 BSTKPOZFEWPUIW-UYTDBDHRSA-N 357.362 2.362 30 40 FEEB N#Cc1ccc(CN2CCN(CC(=O)N3CCc4ccccc4C3)CC2)cc1 22804824 ZHLKDFCHPDCKDK-UHFFFAOYSA-N 374.488 2.261 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)c1ccccc1N1CCOCC1 64337083 IEHOJILYSPLWIS-UHFFFAOYSA-N 368.412 2.376 30 40 FEEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccccn1 8743861 UEERNYHVVPQVCY-HVESIFNPSA-N 369.421 2.438 30 40 FEEB CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc1 16606626 CVMLNRLIEXHGDU-FABXCBLPSA-N 357.406 2.341 30 40 FEEB C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(c2nccnc2C#N)CC1 206602166 DYMZURAMRCETHO-OAHLLOKOSA-N 365.437 2.148 30 40 FEEB CCOC(=O)/C(=N\Nc1cc(-c2ccccc2)n[nH]1)C1=NC(=O)CS1 5398422 PKNIZBSVAUBUSR-STZFKDTASA-N 357.395 2.080 30 40 FEEB N#Cc1cccnc1NCCNC(=O)Cc1csc(-c2ccccn2)n1 47252552 CEJZVHHKIQVPSW-UHFFFAOYSA-N 364.434 2.243 30 40 FEEB N/N=C(/Cc1nnc(-c2ccccc2N)nc1O)c1ccc(Cl)cc1 96936178 SBLIGQRJJZHLKL-HMAPJEAMSA-N 354.801 2.385 30 40 FEEB NC(=O)Cn1cc(/C=N\NC(=S)Nc2ccccc2)c2ccccc21 33599311 BRJSMKZZZOXCSW-JMIUGGIZSA-N 351.435 2.447 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245228721 DBMHIDLKZJEAQN-LRIJRHOHSA-N 370.540 2.318 30 40 FEEB Cc1ncnc(OC[C@@]23CCC[C@H]2CN(c2nccc(C#N)n2)C3)c1C 1888864167 DWKVNOOOYRDOOW-KXBFYZLASA-N 350.426 2.441 30 40 FEEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@@H]3c2cccnc2)cc1 21775563 JOEZYRODWKXFMM-AUUYWEPGSA-N 374.404 2.492 30 40 FEEB C#CCNC(=O)CN1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 48274181 YAMPTSPMJZXLBN-INIZCTEOSA-N 351.491 2.093 30 40 FEEB CCO/N=C(\C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 13269082 NKNYAQQRDVUZGQ-YHZJOHHESA-N 354.428 2.075 30 40 FEEB Cc1ccc(Cn2c3nc(C#N)c(C#N)nc3c3c(=O)[nH]c(C)nc32)cc1 5504460 IWNDDXDYRFWPMQ-UHFFFAOYSA-N 355.361 2.076 30 40 FEEB COC(=O)[C@](C)(c1ccccn1)N(C)C(=O)[C@H](C)Oc1ccccc1C#N 95462372 HXDSCIAIIGXVFX-XOBRGWDASA-N 367.405 2.267 30 40 FEEB O=C(Cc1noc2ccccc12)NCC#CCOc1ccc2c(c1)OCO2 90730678 AMTGBWCLIKYGOP-UHFFFAOYSA-N 364.357 2.298 30 40 FEEB Cc1ccc(S(=O)(=O)NC(=O)O/N=C/c2ccc3c(c2)OCO3)cc1 1572898 LLYCGDRZXLZULE-RQZCQDPDSA-N 362.363 2.173 30 40 FEEB COc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1Cn1cc([N+](=O)[O-])cn1 2793581 MUFLDFOINJICBM-UBKPWBPPSA-N 373.398 2.293 30 40 FEEB Cc1csc(C/C(N)=N/OCC(=O)N[C@H]2CCCc3ccccc32)n1 54390712 AOZVVBXDOMWILQ-HNNXBMFYSA-N 358.467 2.477 30 40 FEEB CC(C)(C)c1nc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)no1 58185718 ZUNLZFWTSVAXMD-SFHVURJKSA-N 353.382 2.206 30 40 FEEB C=C(C)CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36358895 NDDYHHUEGCYZDQ-LJQANCHMSA-N 371.437 2.045 30 40 FEEB Cc1[nH]c2ccccc2c1/C=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 5603640 VFZPUGXJSJZDLU-GIJQJNRQSA-N 373.394 2.478 30 40 FEEB C=CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)CC)s2)cc1 9135061 ILTONNYGIWWNIQ-UHFFFAOYSA-N 353.425 2.149 30 40 FEEB COc1ccc(-c2c(C#N)c(N)nc3c2CNCC3)cc1Cn1cccn1 72171617 ZMELBCIFNHLGOS-UHFFFAOYSA-N 360.421 2.102 30 40 FEEB C#CCN(Cc1ccco1)C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 60183054 QHOKYSPNNNFXMX-OAHLLOKOSA-N 352.390 2.303 30 40 FEEB N#Cc1cccnc1N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1 1775995064 WQYBGTGKOLOIPR-UHFFFAOYSA-N 374.452 2.375 30 40 FEEB CN(C(=O)NCc1ccc(Cl)cc1)C1CN(c2nccnc2C#N)C1 1776008061 VXLQOWKERCJQME-UHFFFAOYSA-N 356.817 2.032 30 40 FEEB COc1ccc(/C=N/N2C[C@@]3(C)[C@H]4CC[C@@]3(C)[C@@]2(C(N)=O)C4)cc1OC 100920888 LZJCLTMEUVKVBN-AGYMPFLZSA-N 357.454 2.404 30 40 FEEB CC(=O)ON1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104085541 FLPKKKZBPUAXKH-XGMKGGNISA-N 358.992 2.127 30 40 FEEB CCc1nc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cs1 107754198 CIKFQVLQFTZOAI-UHFFFAOYSA-N 356.455 2.004 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 20445321 BQOCKLURBPQTNJ-GGNAOWBESA-N 366.508 2.330 30 40 FEEB CN(C)c1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 5625554 WDKYVZHSAHLVCT-VCHYOVAHSA-N 353.455 2.394 30 40 FEEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@H]2c1ccc(O)cc1 40283726 PILUZBKJPWUQHT-INIZCTEOSA-N 352.394 2.346 30 40 FEEB CCCS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 712352907 OYUBSUCMLYQJFR-UHFFFAOYSA-N 355.265 2.146 30 40 FEEB N#CCCN(/N=C/c1ccccc1O)C1=NS(=O)(=O)c2ccccc21 3669276 ACQYQWMTEVIXCP-XDHOZWIPSA-N 354.391 2.091 30 40 FEEB Cn1cc(-c2cncc(N3CCN(Cc4cccc(C#N)c4)CC3)n2)cn1 2298222284 RYPNRJGBSGMCCL-UHFFFAOYSA-N 359.437 2.071 30 40 FEEB C/C(=N\NC(N)=S)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643605 SWQAXEUFXIMKNG-RGVLZGJSSA-N 352.419 2.254 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 5372241 MZQOWKNYSMRNTM-AUHJOAGFSA-N 362.835 2.100 30 40 FEEB COc1cc(OC)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 408586889 CVXCNQFYEUMZGH-TXWSZRKOSA-N 360.797 2.498 30 40 FEEB CCCOc1c(Br)cc(/C=N\n2nnnc2N)cc1OCC 34903105 PDXREIRENSWPFC-PXNMLYILSA-N 369.223 2.088 30 40 FEEB Cc1oc(-c2nc(C#N)c(NC3CC3)o2)cc1S(=O)(=O)N1CCCC1 40266855 LDXBNXOADHTOON-UHFFFAOYSA-N 362.411 2.474 30 40 FEEB CCCn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)n[nH]c1=O 8724201 AOWDVNOGHPJLLC-UHFFFAOYSA-N 363.418 2.159 30 40 FEEB C#CCOc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc1 100765445 UCSBWPYPTMNDQQ-QZTJIDSGSA-N 351.450 2.447 30 40 FEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 978558 FDUMBIMOIMCBII-HNNXBMFYSA-N 359.378 2.168 30 40 FEEB biogenic N#Cc1ccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12507318 GVVWJKCIZJHKLY-KRWDZBQOSA-N 360.377 2.166 30 40 FEEB C=CCOC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C 2095774 LMOHENGZGPCVDU-UHFFFAOYSA-N 360.362 2.233 30 40 FEEB biogenic C=CCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)OCC)CC1 27392099 GPHXMUUPSIQSPK-UHFFFAOYSA-N 359.426 2.409 30 40 FEEB C[C@@H](OC(=O)c1nccnc1N)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 9368602 IADMWELJYOKMET-PILJQMSFSA-N 366.421 2.485 30 40 FEEB C=CCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OCC)c2)C1=O 409072626 JYDAWVSIUUEWPA-NTEUORMPSA-N 362.407 2.172 30 40 FEEB O=[N+]([O-])c1cc(/C=N/Nc2nc(O)c3ccccc3n2)c(O)c([N+](=O)[O-])c1 408730053 DVEGYQIBXJREOE-FRKPEAEDSA-N 370.281 2.303 30 40 FEEB C=CCN1C(=O)[C@]2(NC(=O)c3oc4ccccc4c(=O)c32)c2ccccc21 12062797 JNPMBOJOKUKHRI-NRFANRHFSA-N 358.353 2.313 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 18087390 GTVQPKCWCMUUMC-PLDZJGDPSA-N 366.508 2.330 30 40 FEEB COC[C@H](C)S(=O)(=O)/N=C(\O)c1cc2c(nc3sccn32)s1 73838832 SYRCJCDEUVCLOZ-ZETCQYMHSA-N 359.454 2.280 30 40 FEEB CCOc1cc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)ccc1O 32170363 FSGVDYLQPSMDOK-JMIUGGIZSA-N 361.377 2.003 30 40 FEEB N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 225859413 IUQMMTZGUYRAEJ-UHFFFAOYSA-N 358.829 2.045 30 40 FEEB N#Cc1cnc(N2CCN(c3nc(O)cc(C(F)F)n3)CC2)c(Cl)c1 1888869684 OIWLRXWQDGKKCU-UHFFFAOYSA-N 366.759 2.366 30 40 FEEB Cc1ccc(NC(=O)CCN2CCN(CC#N)CC2)cc1Br 20507139 PJMCMOIBAWVWGD-UHFFFAOYSA-N 365.275 2.227 30 40 FEEB CN(CC(=O)NC1(C#N)CCCCCC1)Cc1nc2ccccc2c(=O)[nH]1 22842453 VFXLCOUPZXWIDG-UHFFFAOYSA-N 367.453 2.088 30 40 FEEB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 104308261 QQMCARUWKPLGDM-FXBPSFAMSA-N 372.450 2.455 30 40 FEEB C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OCC 59139933 OBARFCFTWJGVFU-UHFFFAOYSA-N 374.462 2.421 30 40 FEEB C[C@@]12C(=O)N(/N=C/c3ccncc3)CC(=O)N1CCc1c2[nH]c2ccccc12 4045955 CMPWCCUOARNOJZ-OVRHDEQLSA-N 373.416 2.039 30 40 FEEB biogenic Cc1ccc(S(=O)(=O)NCC/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 9426207 NXEMXFKFTFKOCQ-GZTJUZNOSA-N 363.395 2.006 30 40 FEEB COc1ccccc1S(=O)(=O)NCC#CCN1CCc2ccccc2C1 75165093 PRUCCBHODYOKOA-UHFFFAOYSA-N 370.474 2.035 30 40 FEEB COc1cc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)ccc1C#N 594973666 DBUSCBJTBICJHE-PXNSSMCTSA-N 350.422 2.271 30 40 FEEB COc1cccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1OC 225480973 QBZUCTSEOGJLIV-CYBMUJFWSA-N 368.393 2.049 30 40 FEEB CCCCn1c(SCC(=O)NC2(C#N)CCCCCC2)n[nH]c1=O 40050501 MPHHLXTWQDVMBR-UHFFFAOYSA-N 351.476 2.196 30 40 FEEB COc1ccc(/C=N\n2nnc(C(=O)NCc3ccccc3)c2OC)cc1 33337963 RBCQBDRJPKHZKN-BKUYFWCQSA-N 365.393 2.108 30 40 FEEB C[C@H](OC(=O)c1ccccc1CC#N)C(=O)NCc1ccc2c(c1)OCO2 22558462 TXADSEFWRRPUJL-ZDUSSCGKSA-N 366.373 2.343 30 40 FEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47347510 CPSUOAANNIDZSP-FQEVSTJZSA-N 360.373 2.276 30 40 FEEB C=C[C@H](C)n1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O 13815179 PMKHEYDCFHKXTI-ZDUSSCGKSA-N 365.437 2.358 30 40 FEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 9834389 XERVLTBNYNVBBI-IBGZPJMESA-N 369.327 2.486 30 40 FEEB COc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)cc1F 125483806 CPNMDATXFBYKOO-ZKKXHLJNSA-N 362.401 2.488 30 40 FEEB N#CC1(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)CC1 225992172 MPJVBGZSBHBKFB-SFHVURJKSA-N 361.401 2.401 30 40 FEEB COc1ccc(/C=N/Nc2nc3ccccc3c3nc(=O)c(C)nn23)cc1 585157919 MIKMCZHCBVLBRW-RGVLZGJSSA-N 360.377 2.401 30 40 FEEB C=CCc1cc(CNC(=O)[C@H]2CCCN(C(C)=O)C2)cc(OC)c1OC 50527055 OMRPBMOBALZKCJ-KRWDZBQOSA-N 360.454 2.307 30 40 FEEB C[C@@H](NC(=O)COC(=O)COc1ccc(C#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102240098 CBZMLGBXAGAHBT-GRZALLJUSA-N 356.422 2.421 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1cc2c(cc1Cl)OCO2 100237278 JTXWSZAFELZYOI-XODVREQESA-N 370.792 2.456 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@H]2c2ccc(C)cc2)cc1 102566559 RXUPDQCOULKXMI-GHNGSUTGSA-N 367.401 2.418 30 40 FEEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1 102800763 SZFCHRNKSOANMP-SELCWUDQSA-N 367.401 2.499 30 40 FEEB CCc1c(C)sc(N[C@](NC(C)=O)(C(=O)OC)C(F)(F)F)c1C#N 2337681 HXBXSQSAZNYHCQ-CYBMUJFWSA-N 363.361 2.470 30 40 FEEB COc1ccc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)cc1OC 6073867 MXDAGQODCHFXOK-MFOYZWKCSA-N 369.373 2.493 30 40 FEEB biogenic C=CCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(C)cn23)n(C)c1=O 4250664 ILSMTUBUMVYEBE-UHFFFAOYSA-N 369.812 2.286 30 40 FEEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1OC 409039703 DBFZRXRNUCEQDY-CXDLLEFQSA-N 366.417 2.481 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32634164 WZYARDGPBBDMMD-LIPKEOFVSA-N 370.471 2.473 30 40 FEEB Cn1ccnc1[C@@H]1[C@@H](CNc2cccnc2C#N)CCC(=O)N1C1CC1 596561634 JYQSLDQGWQOZEU-ACJLOTCBSA-N 350.426 2.241 30 40 FEEB C#CCN1C(=O)S/C(=C\c2cn(CC(=O)OC)c3ccccc23)C1=O 5879467 QBMWEDOEFKKUPY-DHDCSXOGSA-N 354.387 2.484 30 40 FEEB C=CCNC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399741 RZEULPMMCCLUGQ-UHFFFAOYSA-N 369.512 2.041 30 40 FEEB C=CCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C 5215972 YSGTUODINYYFMP-UHFFFAOYSA-N 358.419 2.318 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 5249696 AKJQTXLBCBVYOV-SZGQWAQFSA-N 352.481 2.397 30 40 FEEB Cc1cc(NCC2(C(N)=O)CCOCC2)n2c(nc3ccccc32)c1C#N 78724400 SNWZTTIZXKUEFY-UHFFFAOYSA-N 363.421 2.362 30 40 FEEB N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCN(c4ccccc4)C3)C2)nc1 562725353 RXXCJFNRKKFYLH-HKUYNNGSSA-N 362.433 2.459 30 40 FEEB Cc1cnc([C@H](C)/N=C(/O)N2CCC(C)(CN3CCN(C)CC3)CC2)o1 329841727 NOJOSTBPSPGKJX-INIZCTEOSA-N 363.506 2.308 30 40 FEEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@@H]2c1cccc(O)c1 40267326 CKYQRZCNQKXDIK-MRXNPFEDSA-N 352.394 2.346 30 40 FEEB N#Cc1cccc(CCNS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 571906833 BVHUURPHKORKNE-UHFFFAOYSA-N 358.419 2.096 30 40 FEEB N#Cc1ccc(S(=O)(=O)NCC2CCN(CC(F)(F)F)CC2)cc1 188332124 HAZRCRHNRUMKDO-UHFFFAOYSA-N 361.389 2.111 30 40 FEEB C[C@]12CN(/N=C/c3ccc4c(c3)OCCO4)[C@]3(C(N)=O)C[C@@H]1CC[C@@]23C 100920504 HYDLBECAYASHLH-QKWMYONBSA-N 355.438 2.158 30 40 FEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1OC 100301913 XMHDEEIHFNLZDA-DFTLCKDTSA-N 352.390 2.091 30 40 FEEB C=CCn1c(N2CCN(C(C)=O)CC2)nc2sc3c(c2c1=O)CCCC3 12391969 ZBCXTRGJJMSYHP-UHFFFAOYSA-N 372.494 2.191 30 40 FEEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)C1CC1 101317299 QOXIKMJPQDGVJB-BLCHQYFCSA-N 370.883 2.351 30 40 FEEB N#Cc1ncn(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 58193316 KFWPAHNPGZKVLW-UHFFFAOYSA-N 352.379 2.102 30 40 FEEB C=CCSCC(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1 58224437 WGJDHGCHMMWQIT-UHFFFAOYSA-N 360.439 2.388 30 40 FEEB C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1 28291239 LJPQQPQAOQWMEY-MRXNPFEDSA-N 362.451 2.234 30 40 FEEB C=C(C)CNC(=S)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13637323 ZRHPKEGXSHVMST-UHFFFAOYSA-N 352.485 2.020 30 40 FEEB CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1N 20842904 RIMRQEVQXNYHFH-UHFFFAOYSA-N 362.484 2.097 30 40 FEEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 5516620 KRUNUBNEDARZSE-WFDFJMSYSA-N 374.434 2.222 30 40 FEEB COc1ccc(C#N)cc1CN1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1775957497 XSXIZNZZOBLNIP-CVEARBPZSA-N 353.426 2.067 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CCN(c4ncc(Br)cn4)[C@@H]3C2)nc1 1889089528 ZUMRWTUUSTXSEE-GXTWGEPZSA-N 371.242 2.221 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 225480052 IJJBNDJAYRCFAD-ZDUSSCGKSA-N 363.377 2.102 30 40 FEEB C=CCNC(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 4092561 MSFKEFJIWPKREO-TZWRJOPASA-N 372.424 2.181 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 5165114 QYMIHXCJHUIJEW-UHFFFAOYSA-N 364.449 2.145 30 40 FEEB COc1cc(/C=N/n2c(=O)[nH]c3ccccc3c2=O)cc(Cl)c1OC 5272525 JKMUREWVHXXCIA-DJKKODMXSA-N 359.769 2.243 30 40 FEEB C#CCOc1cc(Br)c(/C=C2/NC(=O)NC2=O)cc1OCC 4704882 BFVGKGWXNVHPNF-IZZDOVSWSA-N 365.183 2.040 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccc(C)cc1 408709396 SBPXGIUMINPXGT-UHFFFAOYSA-N 351.406 2.166 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 225481246 IXEPPEANFUGKDA-OAHLLOKOSA-N 372.812 2.450 30 40 FEEB C=CCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)c1cccs1)C2 96229962 YYCJWOAYLAPBSB-INIZCTEOSA-N 354.497 2.470 30 40 FEEB N#Cc1ccc(OC[C@@H]2CO[C@@H]3CN(C(=O)CCc4ccc[nH]4)C[C@H]23)cc1 1565553277 RHHDPSVTMQRIRV-NSISKUIASA-N 365.433 2.371 30 40 FEEB COc1ccc(Cn2c(=N)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 100861846 WHHUMLQXJIETBA-UHFFFAOYSA-N 371.400 2.366 30 40 FEEB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)c1C 23274109 WWZIRQSEPCTLHQ-JTQLQIEISA-N 373.438 2.416 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 101306635 GTVQPKCWCMUUMC-NHYXNVPJSA-N 366.508 2.330 30 40 FEEB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)NC(=O)N[C@H]1C 5089330 KOYLMYJTRNUCJE-LBPRGKRZSA-N 374.466 2.489 30 40 FEEB CC(C)(C)OC(=O)N[C@@]1(C=O)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218656986 BVRQXPLLGPJATG-HEHGZKQESA-N 373.858 2.313 30 40 FEEB C=CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 224935939 VBVCHLRCDKPFPD-QINSGFPZSA-N 356.378 2.370 30 40 FEEB CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CCN2CCC[C@@H]2C1 19367094 PKFJLOBBSGMIMS-QZTJIDSGSA-N 365.485 2.169 30 40 FEEB O=C(OC[C@]12O[C@@H]1C=C[C@@H](OC(=O)c1ccccc1)[C@H]2O)c1ccccc1 253387330 BHNSEWKVMCNSGO-IKVWTGGYSA-N 366.369 2.137 30 40 FEEB biogenic,in-vitro Cc1ccc(C)c(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101312955 UAMCMXCGELZXME-NHYXNVPJSA-N 364.492 2.315 30 40 FEEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cccc([N+](=O)[O-])c1 408535886 OWONSMCLZNLGKC-AZHAFVHUSA-N 370.365 2.180 30 40 FEEB COc1cc(/C=N\n2nnnc2N)cc(Cl)c1OCc1ccccc1 32223237 GOWITFZPSLUUIF-OCKHKDLRSA-N 358.789 2.379 30 40 FEEB CCOC(=O)c1cc(-c2cccc(Br)c2)nn(CC#N)c1=O 225965308 MNKOCWZJKAAQCZ-UHFFFAOYSA-N 362.183 2.373 30 40 FEEB N#Cc1ccc(CN(CC(=O)N2CCNC2=O)Cc2cccc(F)c2)cc1 58161694 XIFHTQGVHDXFDC-UHFFFAOYSA-N 366.396 2.251 30 40 FEEB N#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 3299506 KYIYTBALYYRUBY-UHFFFAOYSA-N 369.402 2.003 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 7784195 YCCSYIBEMLPART-FQEVSTJZSA-N 374.437 2.377 30 40 FEEB O=C1[C@H]2O[C@]2(c2cc(Cl)ccc2Cl)C(=O)[C@H]2[C@H]3C[C@@H]([C@H]4O[C@@H]34)[C@@H]12 253618446 PTPJTLPLTXWJEC-GPQNDCJASA-N 351.185 2.389 30 40 FEEB CCOC(=O)[C@@H]1[C@H]2CCC/C(=N/NS(=O)(=O)c3ccc(C)cc3)[C@@H]21 104157884 SYEXJYQWAYIRHY-ZFERXQLQSA-N 350.440 2.239 30 40 FEEB CCn1c(SCC(=O)N(CCC#N)CCC#N)nc2ccccc2c1=O 9053894 NYAUWSDUASCXCX-UHFFFAOYSA-N 369.450 2.164 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225670544 JECBMPMDVUMSFF-JJRVBVJISA-N 371.430 2.189 30 40 FEEB CCN(CC(=O)NC)C(=O)c1cccc(OCc2ccccc2C#N)c1 55249319 ZVFICDSLQVDPSJ-UHFFFAOYSA-N 351.406 2.345 30 40 FEEB N#Cc1cnc(SCC(=O)Nc2ccccc2Br)nc1N 5590730 YFRNWEMPMSIJQI-UHFFFAOYSA-N 364.228 2.424 30 40 FEEB Cc1ccc(S(=O)(=O)N=C2NCN([C@@H]3CCCC[C@@H]3C)CN2)cc1 19330765 FRWWBGRTYQVKEJ-GOEBONIOSA-N 350.488 2.028 30 40 FEEB Cc1nc(N2CC[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]32)c2ccncc2n1 1889186700 BXCNBGGCKRRPQP-CRAIPNDOSA-N 357.421 2.315 30 40 FEEB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc(C#N)cc2)o1 4585632 OUBRRGIUULBGIC-UHFFFAOYSA-N 368.374 2.264 30 40 FEEB CC(=O)Nc1cccc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1 7735181 WNESHNFMDQHURO-AWEZNQCLSA-N 357.391 2.443 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(OC)cc1 102864954 VKNOKEAYTZIKTE-IBOXJLQUSA-N 357.362 2.356 30 40 FEEB CN1CCN(c2ncccc2CNC(=O)Nc2cccc(C#N)c2)CC1 58201912 QNEHJMYIEYHKBE-UHFFFAOYSA-N 350.426 2.027 30 40 FEEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cnc3ccccc3n2)n1 9254321 YMYZPWPTPAVSRF-LLVKDONJSA-N 352.375 2.428 30 40 FEEB Cc1ccc(OCC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 225481533 LPHLJOAMSUSKSC-INIZCTEOSA-N 352.394 2.106 30 40 FEEB Cc1cc(O)c(C(c2ccc(C#N)cc2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1 17119929 YTKOZZZJMMYWSG-UHFFFAOYSA-N 363.373 2.143 30 40 FEEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc(OC)c1O 18195891 SZNQAQLTDTWOHX-CYBMUJFWSA-N 357.366 2.403 30 40 FEEB Cc1ccc(S(=O)(=O)N/N=C2/C(=O)N(C)c3ccc(Cl)cc32)cc1 4545271 AGVPQBYANHFBMY-OBGWFSINSA-N 363.826 2.307 30 40 FEEB C=CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(F)cc2)n(C)c1=O 13554329 VTWLRWUBCSZFAB-LBPRGKRZSA-N 369.400 2.010 30 40 FEEB CN1C(=O)c2cccnc2C12CCN(C(=O)Cc1ccc(C#N)cc1)CC2 1565554934 LHCDUBDKQGWVKD-UHFFFAOYSA-N 360.417 2.099 30 40 FEEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 10326888 LQFLAOYFWOEVKQ-UHFFFAOYSA-N 357.753 2.195 30 40 FEEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N[C@@H](C)c1ccc(F)c(F)c1 32932189 QIPACBYBNYODNA-VIFPVBQESA-N 371.347 2.313 30 40 FEEB CC/N=C1/S[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC(=O)N1CC 100203595 HTHAQQWHMVTWJA-OYLHUBKDSA-N 363.439 2.142 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 101318162 LNPWGEOQVXFUBI-UICBKRPASA-N 364.492 2.315 30 40 FEEB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccccc2C#N)n1 12989238 LPYOJALILLFRMK-UHFFFAOYSA-N 362.393 2.477 30 40 FEEB CC/N=C1\S[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1CC 4158997 YRVMJLKASUVULQ-KXEGMRRWSA-N 350.400 2.263 30 40 FEEB C#CCN1CCC(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 65549960 DVSSTCMCZNPSIS-OAHLLOKOSA-N 361.436 2.253 30 40 FEEB COc1ccc(CNC(=O)NO[S@](=O)c2ccc(OC)cc2)cc1 26952915 MKLUEDRZDYSNJZ-XMMPIXPASA-N 350.396 2.157 30 40 FEEB Cc1ccc2c(c1)c(=O)n(C)c1nnc(COc3ccc(C#N)c(F)c3)n21 66749291 NYHWXBMIQFMDKZ-UHFFFAOYSA-N 363.352 2.479 30 40 FEEB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 46830039 SFJCJBJSELMNAG-WMZOPIPTSA-N 371.485 2.380 30 40 FEEB C=CCc1cc(CNC(=O)CCNc2ncccn2)cc(OC)c1OC 50860089 SARBVWNDNURXDA-UHFFFAOYSA-N 356.426 2.341 30 40 FEEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 4944457 XZUZVKSVXDEPQM-JTQLQIEISA-N 357.391 2.251 30 40 FEEB Cc1ccccc1N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 24364533 VOHBOHBFQOBGSI-IBGZPJMESA-N 351.450 2.429 30 40 FEEB CCOC(=O)[C@H]1[C@H]2CCC/C(=N\NS(=O)(=O)c3ccc(C)cc3)[C@@H]21 104157895 SYEXJYQWAYIRHY-XOKUYBRLSA-N 350.440 2.239 30 40 FEEB Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 58190699 XJLHJTABYGOTRT-UHFFFAOYSA-N 373.434 2.043 30 40 FEEB C=CCN(CCc1ccccc1)C(=O)Cc1c(C)nc2nc(N)nn2c1C 58195055 YHOFVILFUGHQJT-UHFFFAOYSA-N 364.453 2.123 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 5369961 SSCTXESVJNZKCE-HJPHCXOUSA-N 352.481 2.397 30 40 FEEB CCOC(=O)[C@@]1(C#N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218188840 VMZGUXZAYLUGGS-SGMGOOAPSA-N 372.240 2.033 30 40 FEEB CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(C=O)NC(=O)OC(C)(C)C)cc1 218661908 SIICYELYPCOWAD-IIDMSEBBSA-N 367.467 2.222 30 40 FEEB CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccccc1C#N)n2CC 5109492 OPZXPRWIFOLOEO-UHFFFAOYSA-N 367.409 2.157 30 40 FEEB C=CCN(C(=O)CN1CCC(CN2CCOCC2)CC1)c1ccccc1 40153594 LQSQYUMKOQHREN-UHFFFAOYSA-N 357.498 2.250 30 40 FEEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCCCN1CCOCC1 20149973 MXQOVVIOQIWKCK-UHFFFAOYSA-N 357.370 2.256 30 40 FEEB C=C1[C@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@H](O)[C@@]5([C@H]4N(CC)C6)[C@@H]3CC2=O)[C@@H]1O 100767369 CBOSLVQFGANWTL-WKWZDXHKSA-N 357.494 2.000 30 40 FEEB C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncccc2O)ccc1Cl 12786998 ZIWLNWKTZMDWQP-UHFFFAOYSA-N 367.814 2.157 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cc(C)cc1C 5377530 YFRAQGXFVZPMHZ-HJPHCXOUSA-N 352.481 2.233 30 40 FEEB N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 96004291 MUGXQHNWEQWJLO-UHFFFAOYSA-N 370.340 2.274 30 40 FEEB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@H]3N3CCCN23)cc1 85892440 BEKUHNVFELTGNQ-ZCNNSNEGSA-N 372.428 2.402 30 40 FEEB Cc1csc(NC(=O)CCN/C=C2/C(=O)Oc3ccccc3C2=O)n1 1547200832 JQENQMSATQFNGO-XYOKQWHBSA-N 357.391 2.056 30 40 FEEB CC1=CC(=O)/C(=C\Nc2cccc(Oc3ccc4nncn4n3)c2)C(=O)O1 1547201110 WMVDNYMHCQEIBF-NTEUORMPSA-N 363.333 2.242 30 40 FEEB N#Cc1ccc(OCC[C@H]2CO[C@H]3CN(C(=O)c4ccoc4)C[C@@H]23)nc1 306129632 IIPDLPNFYYTUMM-XIRDDKMYSA-N 353.378 2.102 30 40 FEEB C=CCOc1ccccc1CN1C(=O)/C(=N\NC(N)=S)c2ccccc21 46084954 XZKYAUCBGYVRGU-FXBPSFAMSA-N 366.446 2.336 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 225488161 QIDBGARJGUFGON-CRAIPNDOSA-N 364.405 2.032 30 40 FEEB C/C(=N\c1ccc(C(=O)N2CCCCC2)cc1)c1c(O)[nH]c(=O)sc1=O 95101232 WMUSGCWMTUMACL-YBFXNURJSA-N 373.434 2.269 30 40 FEEB Cc1cc(NC(=O)[C@H](C)N2CCCN(c3ccc(C#N)cc3)CC2)on1 52800047 RWWKWDBYKZULRV-HNNXBMFYSA-N 353.426 2.394 30 40 FEEB C=CCc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(OCC)c1OC 5872115 IADSRYWPLSYNEL-UKTHLTGXSA-N 360.435 2.079 30 40 FEEB C=CCc1cc(CNC(=O)[C@@H]2CCCN(C(C)=O)C2)cc(OC)c1OC 50527057 OMRPBMOBALZKCJ-QGZVFWFLSA-N 360.454 2.307 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(OC)c1 5370889 CEYIAPZASAIFQH-QPRSIOOTSA-N 368.480 2.097 30 40 FEEB CSc1nc(N)nc(SCC(=O)Nc2nc(C)cs2)c1C#N 8743038 OGNGVMRMRAUYEN-UHFFFAOYSA-N 352.470 2.148 30 40 FEEB CCN1/C(=C(/C)NC(=O)c2ccco2)C(=O)c2ccccc2S1(=O)=O 9418551 KGKYPAOTTAZEGG-PTNGSMBKSA-N 360.391 2.148 30 40 FEEB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cccc(F)c2C#N)C1 95999577 DSRARCLEDKMJES-LBPRGKRZSA-N 357.389 2.389 30 40 FEEB COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc(Cl)c1O 226661997 DOAZLJJZTAJMSX-MEJHBKSZSA-N 372.808 2.441 30 40 FEEB CC#CCCCC(=O)N1CCC(O)(CNc2nc(C)ccc2[N+](=O)[O-])CC1 1615611731 PTCJNMBYURUKAH-UHFFFAOYSA-N 374.441 2.257 30 40 FEEB Cc1nc(N2C[C@@H]3CN(c4ncccc4C#N)C[C@H]3C2)c2ccncc2n1 2086865430 WROJSLCTCVXEBM-HOTGVXAUSA-N 357.421 2.173 30 40 FEEB CC(C)/N=C(\S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 8686965 WAWMBQAGURAIPY-UHFFFAOYSA-N 351.457 2.384 30 40 FEEB CCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1/C=N/N1CCN(C)CC1 1301535 WTWNONIGVKUQBG-CPNJWEJPSA-N 372.429 2.020 30 40 FEEB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)OCC(F)(F)F)cc1 57709589 JPZRLRVMPZPVBZ-UHFFFAOYSA-N 365.251 2.246 30 40 FEEB C=C[C@@H](C)n1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 8652146 BWPURRBOQLKIGF-CYBMUJFWSA-N 351.410 2.104 30 40 FEEB C=CCc1cc(C(=O)N2CCN(c3ncccn3)CC2)cc(OC)c1OC 14015163 LEQONVZAANZYEW-UHFFFAOYSA-N 368.437 2.185 30 40 FEEB COc1ccc([C@]2(O)CC(C)=NN2C(=O)COc2ccccc2C#N)cc1 408562931 GSPSWCGWCDORQC-HXUWFJFHSA-N 365.389 2.399 30 40 FEEB N#Cc1cccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1 9856136 YJWYFFWZAMCFAC-ZRDIBKRKSA-N 355.419 2.477 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 32634782 WWXQNCRPTGWKLI-BHQQRDBZSA-N 374.434 2.366 30 40 FEEB COc1ccccc1C/N=C\[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408527952 AKWOYGRTQHKELZ-GMDDEGIZSA-N 369.352 2.304 30 40 FEEB CC[C@H]1Cc2c(nc3nc(C)[nH]c4nc(N5CCOCC5)c(C#N)c2c34)O1 2626490 XNTOLZBQDMJBRP-NSHDSACASA-N 364.409 2.236 30 40 FEEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1 8726624 BYHQUAHFARUIOI-UHFFFAOYSA-N 352.419 2.175 30 40 FEEB C#CCOC(=O)Nc1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O 5380561 JMOGNWWVXYJDPN-UHFFFAOYSA-N 362.288 2.400 30 40 FEEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 5341863 UMXBNQAFWFFVOQ-OVJMFRMASA-N 356.444 2.083 30 40 FEEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537659 WNYOCOHKFJBIJW-CYBMUJFWSA-N 355.325 2.436 30 40 FEEB C=CCn1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871388 SIVAUYXINQQTBK-UHFFFAOYSA-N 351.410 2.183 30 40 FEEB CC(C)(C)c1nn2cnnc2n(/N=C/c2ccc(OC(F)F)cc2)c1=O 1100627 MHELTUUFBRSMLJ-DNTJNYDQSA-N 362.340 2.067 30 40 FEEB C=CCN1CCO[C@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@H]2C1 1565549928 JRVHQXYIBSZIJB-KXBFYZLASA-N 355.438 2.106 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2C)n(C)c1=O 8778524 MJOCWJCHDZAZMA-UHFFFAOYSA-N 365.437 2.241 30 40 FEEB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@H](Oc3nccnc3C#N)C2)cc1 225805064 SWVYGUXYUMLWLY-BPLPYTOXSA-N 370.434 2.111 30 40 FEEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccc([N+](=O)[O-])cc2)n1 10338892 LIWDINVGPZJCGI-UHFFFAOYSA-N 363.337 2.311 30 40 FEEB N/C(=N/OCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 21585759 ZMLBVZNUFFTOAU-UHFFFAOYSA-N 361.785 2.022 30 40 FEEB CC(=O)c1ccc(N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 57480039 CMJBUIIZYHPJBT-FQEVSTJZSA-N 356.470 2.066 30 40 FEEB Cn1c(Nc2ccc(NCC3CCCC3)cc2)c(C#N)c(=O)n(C)c1=O 58227282 SPDNUHOIROTNKJ-UHFFFAOYSA-N 353.426 2.301 30 40 FEEB C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 28665742 CMCRLPMYNWTNCD-QGZVFWFLSA-N 372.446 2.405 30 40 FEEB C#CCN1CCC(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 65549955 DVSSTCMCZNPSIS-HNNXBMFYSA-N 361.436 2.253 30 40 FEEB Clc1ccc(CO/N=C/Cc2nc(Cn3cncn3)n[nH]2)c(Cl)c1 6453184 COYUHWHVXQMXFV-RMOCHZDMSA-N 366.212 2.496 30 40 FEEB CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(Nc2cccnn2)CC1 96003059 AQCXBPAUNRMYEF-IBGZPJMESA-N 373.457 2.141 30 40 FEEB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(CC#N)cc2)nc1N 9316996 QDYZHICUGBPGGI-UHFFFAOYSA-N 371.422 2.032 30 40 FEEB Cc1nc(C)c(C(=O)NC2(C#Cc3cncc(C(N)=O)c3)CCCCC2)o1 12224600 SOEXBEGMFMVYHF-UHFFFAOYSA-N 366.421 2.270 30 40 FEEB CN(C)CCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O 1405745 NTRXYZQZJIKOHP-UHFFFAOYSA-N 372.446 2.362 30 40 FEEB C=CCn1c(SCC(=O)O)nnc1[C@@H](C)NC(=O)c1ccccc1F 72328149 KUFYSCNRZKFYOX-SNVBAGLBSA-N 364.402 2.271 30 40 FEEB C=CCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)CCC2 20801808 FKOVUKGDGRKIOQ-UHFFFAOYSA-N 364.453 2.315 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 32506182 ODTFYBMCAAUOGU-FZJVYVCZSA-N 352.481 2.478 30 40 FEEB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1/N=C/Cc1ccccc1 4046456 RKFAURMVJJNZPN-BLXMRYOQSA-N 372.428 2.492 30 40 FEEB biogenic CCOc1c(I)cc(/C=N/n2cnnc2)cc1OC 4118836 UGIYWEWWTAOFLN-OMCISZLKSA-N 372.166 2.172 30 40 FEEB CCOc1cccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)c1O 5625456 NTMNXRSAZYZION-GIJQJNRQSA-N 370.438 2.432 30 40 FEEB C#CC(CC)(CC)NC(=O)CSc1nnc(-c2ccccc2F)n1N 18524839 IAIWCNOHUMPAFQ-UHFFFAOYSA-N 361.446 2.198 30 40 FEEB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 97377743 PHUKVJYQZGDXSQ-CXAGYDPISA-N 370.430 2.360 30 40 FEEB N#Cc1sccc1S(=O)(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 594572011 LUZHFBCJFGEVOL-QWHCGFSZSA-N 362.432 2.109 30 40 FEEB C=CCCCN1CCO[C@](C)(CNC(=O)c2cccc3ncn(C)c23)C1 1615610935 ROWKBJWQKRKETM-HXUWFJFHSA-N 356.470 2.360 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CN(C(=O)Cc4ccc(F)cc4F)C[C@H]3C2)nc1 1889139263 ZBZQOTXVRSTREF-HZPDHXFCSA-N 368.387 2.369 30 40 FEEB N/C(=N/OCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(F)cc1 29464611 NQGUSHSKIUBARD-UHFFFAOYSA-N 359.357 2.263 30 40 FEEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1 12764257 LUIYAGWARXZFEF-UHFFFAOYSA-N 366.468 2.378 30 40 FEEB COc1nc(N/N=C/c2ccc(N(C)C)cc2)nc(N2CCCCC2)n1 408730901 VOGVYRHRUVKVRE-CPNJWEJPSA-N 355.446 2.383 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 32504691 CKAKRWCZBZAMKP-UICBKRPASA-N 366.508 2.474 30 40 FEEB N#Cc1c(-c2ccccc2)[n+]([O-])c2cc(N3CCCC3)c(F)cc2[n+]1[O-] 6659143 WVNJMBQLIZRNRX-UHFFFAOYSA-N 350.353 2.385 30 40 FEEB COc1ccc(N2C[C@H](/C(O)=N/c3nc([C@@H]4CCCO4)n[nH]3)CC2=O)cc1 95474753 UOYYCYRLTYUMBM-RISCZKNCSA-N 371.397 2.306 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)[C@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242437269 BVRQXPLLGPJATG-XJKCOSOUSA-N 373.858 2.313 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 14093884 PRZAFIYXEGMXOV-UHFFFAOYSA-N 374.441 2.220 30 40 FEEB N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1 4984895 MVOPQWQADMJJIW-SFHVURJKSA-N 374.400 2.148 30 40 FEEB N#CCOc1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 103411991 CKHWQVLKMPWEQU-HZPDHXFCSA-N 355.394 2.093 30 40 FEEB CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1ccc(F)cc1 20237296 LNWRWCIKHKLVLA-UHFFFAOYSA-N 361.398 2.296 30 40 FEEB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C[C@@H](C)O1 58249073 RHPHOYVYFLXRPW-MTNOOBJLSA-N 371.481 2.426 30 40 FEEB COCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Br)cc1 18279760 IBSGLTOEHWMFCK-ZDUSSCGKSA-N 354.200 2.380 30 40 FEEB O=C(O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 5026651 VUOQNZMMUFOZAP-MRXNPFEDSA-N 355.321 2.489 30 40 FEEB Cn1c(N)c2c(=O)n(C)c3c(c2c(C#N)c1=O)CCSc1ccccc1-3 1582950 VBILWVCONRHBHS-UHFFFAOYSA-N 364.430 2.006 30 40 FEEB Cc1nc(NC(=O)[C@H](C)NC(=O)c2ccco2)sc1SCC#N 48363799 XHCSCSTYPQKGRF-QMMMGPOBSA-N 350.425 2.417 30 40 FEEB N#Cc1ccccc1-c1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])o1 6495659 SQQZGLVXGBPHCU-FNORWQNLSA-N 350.290 2.273 30 40 FEEB C=CC[N+](CC)(CC)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 5799752 GXTGVVQQYMHEFU-UHFFFAOYSA-O 362.494 2.122 30 40 FEEB Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)c(C#N)c1C 583618227 UDVZEFIDIVXRDY-MAUKXSAKSA-N 353.474 2.218 30 40 FEEB CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCO[C@H](C#N)C1 282781275 FDLPHQNUZJPQQD-MSOLQXFVSA-N 356.470 2.221 30 40 FEEB CC(=O)c1ccc(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 57480038 CMJBUIIZYHPJBT-HXUWFJFHSA-N 356.470 2.066 30 40 FEEB CN(C(=O)CCc1c[nH]c2ccccc12)C1CN(c2nccnc2C#N)C1 1775973229 KRVPHRXEFWIEIN-UHFFFAOYSA-N 360.421 2.109 30 40 FEEB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)/N=C1/NCCS1 30871565 SKUIYYQUELQSNH-HNNXBMFYSA-N 358.467 2.070 30 40 FEEB C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n([C@H](C)CC)c1=N 100628107 ZKHSRIVPXBMBQG-CYBMUJFWSA-N 365.437 2.324 30 40 FEEB CCOC(=O)/C(=N/CCCN(C)C)NNc1ccc(Br)cc1 3188805 RFTYOTCQYFISSA-UHFFFAOYSA-N 371.279 2.279 30 40 FEEB O=C(O)CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 102524893 BLYKBNFUDWEBCE-UYTDBDHRSA-N 355.321 2.332 30 40 FEEB C=CCN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 27364066 IDZHYPCIGNKWDG-UHFFFAOYSA-N 352.481 2.463 30 40 FEEB N#CC1(NC(=O)COC(=O)C[C@H]2C(=O)Nc3ccccc32)CCCCCC1 58349254 NBJFLRBXBBMUEL-OAHLLOKOSA-N 369.421 2.388 30 40 FEEB CN(Cc1cccc(C#N)c1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 45244349 ZIMLMOLKEMBEKM-IAGOWNOFSA-N 353.422 2.082 30 40 FEEB CCc1cc(NCC(=O)NCCOC)n2c(nc3ccccc32)c1C#N 8375790 ALKJXBXBXYJWMU-UHFFFAOYSA-N 351.410 2.096 30 40 FEEB CN(C)c1ccc(/C=N/N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 13721072 SWQMQPASFQOQLA-SSDVNMTOSA-N 360.421 2.175 30 40 FEEB COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 6381684 HIXQGDDONFXGHV-HNNXBMFYSA-N 354.318 2.469 30 40 FEEB C/C(=N\OCC(=O)Nn1c(C)nc2ccccc2c1=O)c1cccs1 4898858 XHHIVFDBZHABOF-RGVLZGJSSA-N 356.407 2.277 30 40 FEEB O=c1c2ccccc2ncn1/N=C/c1ccc(SCCO)c([N+](=O)[O-])c1 32125011 BZTJROVBUNDRGE-VXLYETTFSA-N 370.390 2.271 30 40 FEEB COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc(Br)c1OCC#N 96580190 VQQFVGKKWRKBOP-BXKDBHETSA-N 373.228 2.148 30 40 FEEB COc1ccc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)c(OC)c1 12878603 VDIZDNFAXCOXTI-IUXPMGMMSA-N 369.373 2.493 30 40 FEEB biogenic O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)C1CC1 5206121 QOXIKMJPQDGVJB-OJVXUPTESA-N 370.883 2.351 30 40 FEEB N#Cc1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 16925838 WJBWAMOMSDTRTG-UHFFFAOYSA-N 360.373 2.446 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 4814149 VFBNPTZTAKXDGJ-CQSZACIVSA-N 371.824 2.302 30 40 FEEB CO/N=C(\C(=O)Sc1nc2ccccc2s1)c1nsc(N)n1 21992460 XJESSAAEFWMELV-PXNMLYILSA-N 351.438 2.399 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3COc2ncccc2F)c1 306129877 IPIIFYYTUUJPPG-INIZCTEOSA-N 367.380 2.402 30 40 FEEB N#Cc1ccc(OCC[C@H]2CO[C@H]3CN(CC4CCOCC4)C[C@@H]23)nc1 306131319 KBRDTIYUKFELQY-FHWLQOOXSA-N 357.454 2.096 30 40 FEEB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4032972 PGKIJCLVBDYRKO-CRALRDPISA-N 352.316 2.033 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 101318248 CVCNKGUARBFDBW-OVZRNVPMSA-N 352.481 2.315 30 40 FEEB CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)c(OCc2ccccc2)n1 170013165 NKPDCEDXNRUJQE-UHFFFAOYSA-N 355.247 2.421 30 40 FEEB CN(CC#N)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O 62581107 VGPCXKUAXPAQQZ-UHFFFAOYSA-N 362.433 2.175 30 40 FEEB COc1ccc([C@@]2(O)CC(C)=NN2C(=O)COc2ccccc2C#N)cc1 408562928 GSPSWCGWCDORQC-FQEVSTJZSA-N 365.389 2.399 30 40 FEEB N#Cc1cccnc1N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888842867 UASSEYCJTPECMP-BETUJISGSA-N 360.343 2.335 30 40 FEEB O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc([N+](=O)[O-])cc2)=C1O 9110453 LETXHYIAMNICFT-AWEZNQCLSA-N 369.289 2.369 30 40 FEEB COc1ccc(C(=O)[C@@H]2C(C#N)(C#N)[C@@]23CC[C@@H]2CO[C@@H]3O2)cc1OC 100792775 DGCMRHAWYXCCBH-LOFBVBFDSA-N 354.362 2.072 30 40 FEEB N#Cc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 3600710 JCOXATOVTMSKJK-NRFANRHFSA-N 374.400 2.280 30 40 FEEB CN(CCC#N)C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 13294703 QCPICQRCFZFPQM-UHFFFAOYSA-N 370.413 2.419 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 5516187 PDXHWEYEOZMVCB-XTJHUYNNSA-N 358.872 2.351 30 40 FEEB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccccc2C#N)C1=O 7006492 HDUGQCXYZLDMNA-HXUWFJFHSA-N 363.373 2.297 30 40 FEEB COc1ccc(CN2CCN(c3ccc(C#N)nc3)CC2)c(OC)c1OC 301592119 QWSBHZZGFSWMHW-UHFFFAOYSA-N 368.437 2.301 30 40 FEEB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(CC#N)c2)[C@@H](C#N)C1 75104558 ZFIVQZFBHRILKP-INIZCTEOSA-N 354.410 2.338 30 40 FEEB CCc1nc(SCC(=O)Nc2sc3c(c2C#N)CCN(C)C3)n[nH]1 408581985 KNULAEYTZAGRJU-UHFFFAOYSA-N 362.484 2.019 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3OC)C2=O)c1 408528620 BQGPUSSHQBKMGR-AWEZNQCLSA-N 367.361 2.305 30 40 FEEB CN1CCN([C@@H]2CCCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 91688251 OSWSHLFMAZVFFA-NDDJGDGRSA-N 352.482 2.200 30 40 FEEB CN(Cc1ccc(C#N)cc1)C1CN(S(=O)(=O)Cc2ccccc2)C1 1888928803 VZONDRZKFZCPKF-UHFFFAOYSA-N 355.463 2.204 30 40 FEEB Cc1cnc(Nc2ccc(C(=O)N3CC=C(CCC(=O)NO)C3)cn2)s1 2037850110 YEFIZPUGIYPDTQ-UHFFFAOYSA-N 373.438 2.258 30 40 FEEB CC/N=C1\S[C@H](CC(=O)Nc2ccc(OC(C)=O)cc2)C(=O)N1CC 101127104 PKJKKQSDUCNDNO-MGPWXQLLSA-N 363.439 2.280 30 40 FEEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC 4992976 DHMKIMXFDAJIMT-RVDMUPIBSA-N 368.389 2.112 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 6368722 AYLPKDLGMAKHOX-UHFFFAOYSA-N 360.435 2.477 30 40 FEEB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)C1 3321470 YKXLXVDIILCJIJ-KBPBESRZSA-N 357.410 2.200 30 40 FEEB CCOC(=O)c1ccc(N/N=C2\C(=N)N(c3ccccc3)N=C2N)cc1 16948984 SELZFMRPRDBNER-NNRUXHFMSA-N 350.382 2.401 30 40 FEEB C=CCn1c(=C(C#N)C#N)s/c(=C\c2ccc(Cl)cc2Cl)c1=O 6158518 YQRFWPBSNXUICB-NSIKDUERSA-N 362.241 2.429 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 5369709 JODBWCZJRQWQKS-QPRSIOOTSA-N 352.481 2.334 30 40 FEEB COc1ccccc1C/N=C\[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408535949 PEOUYKWAUIGCLF-WDODUAFFSA-N 369.421 2.149 30 40 FEEB CCC(CC)C(=O)N1CC[C@@]2(CN(C)/C(=N/c3ccccc3)O2)[C@@H](O)C1 257203306 APLMECDXJRXIGQ-BXCQRQNESA-N 359.470 2.404 30 40 FEEB C[C@@H](c1cccc(C#N)c1)N1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 284479664 GMWKZCJQPXYXSI-YJBOKZPZSA-N 359.470 2.203 30 40 FEEB CC(C)(C)n1nnc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)n1 594248689 TZZBEFCPVWYHIO-OAHLLOKOSA-N 353.430 2.177 30 40 FEEB COc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(C(=O)O)cc1 4524056 TXHBYKVIGPFWFJ-DJKKODMXSA-N 359.407 2.140 30 40 FEEB N#Cc1cc(Br)cnc1N[C@H]1CCN(C2CCOCC2)C1 1889057294 LLPIDGSEVRRDJM-ZDUSSCGKSA-N 351.248 2.381 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)cc1 225679437 QJKHHQXIMVXNLX-OAHLLOKOSA-N 356.403 2.465 30 40 FEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 225802065 RYBYDAWXQSMJJB-NSHDSACASA-N 363.299 2.056 30 40 FEEB Cc1cccn2c(=O)c3cc(C#N)c(=N)n(CCCOC(C)C)c3nc12 101087573 WJDUWOQMYXCAEY-UHFFFAOYSA-N 351.410 2.124 30 40 FEEB COc1ccc(C(=O)OCC#N)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 21992537 XPQIIQDFRXQXPM-STQMWFEESA-N 366.439 2.042 30 40 FEEB N#CCC[C@@H](C#N)Cn1c(C[C@H]2CCS(=O)(=O)C2)nc2ccccc21 25062891 UJIJPKHCHHSOFD-CABCVRRESA-N 356.451 2.457 30 40 FEEB CN(C)c1ccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533066 JHYBKXHVKUFWCL-PYTWLRIVSA-N 368.437 2.338 30 40 FEEB CCS(=O)(=O)c1ccc(O)c(NC=C2C(=O)CC(C)(C)CC2=O)c1 5689866 SWUYZULAHHPFNP-UHFFFAOYSA-N 351.424 2.440 30 40 FEEB O=C(C1=C(O)C(=O)N(CCOCCO)[C@@H]1c1ccccc1)c1cccs1 9358358 OCPJOLJXYBZRRY-MRXNPFEDSA-N 373.430 2.335 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(F)c1 32635454 RODKDQNMPQCUIK-LTUGMUNRSA-N 356.444 2.146 30 40 FEEB C[C@@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)N(C)C 55253769 PZVYAGYMRZMZLO-CQSZACIVSA-N 351.406 2.344 30 40 FEEB COc1ccc(NC(=O)C[C@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 6006712 LVZCWEBBZOMMPN-YFEUJDIGSA-N 372.406 2.239 30 40 FEEB CCc1cnc(N2CC[C@@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)nc1 107226279 SWRFNEYPUJDLLF-VQIMIIECSA-N 350.426 2.156 30 40 FEEB CC[C@@H](NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)O 26920482 YRUXJRNAJLNUKP-FZKQIMNGSA-N 354.406 2.250 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 3522921 RFSNYIZEFAVOMJ-UHFFFAOYSA-N 357.439 2.249 30 40 FEEB Cc1cc(N2CCOCC2)nc(N2CCN(c3ccccc3)CC2)c1C#N 71279876 MDPKYRKKAQEEDW-UHFFFAOYSA-N 363.465 2.425 30 40 FEEB C#Cc1cccc(Nc2ncnc3cc(OCCO)c(OCCO)cc23)c1 22057163 YWSAEKIQJPQSDJ-UHFFFAOYSA-N 365.389 2.097 30 40 FEEB in-vitro Cc1nnc(-c2ccccc2C(=O)N2CCN(c3cccc(C#N)n3)CC2)o1 546199193 ODUWLETXXLVOTQ-UHFFFAOYSA-N 374.404 2.274 30 40 FEEB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 15030356 ZAGBAZOJSQHXQZ-UHFFFAOYSA-N 357.435 2.232 30 40 FEEB COC(=O)c1ccc(NC(=O)CO/N=C/c2cc(OC)ccc2OC)cc1 15554466 KEUVFMKRYHMNLE-RGVLZGJSSA-N 372.377 2.480 30 40 FEEB N#CC1(C(=O)N2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)CCCC1 1565552638 QWYLMSKWTUJIKF-BEFAXECRSA-N 355.442 2.123 30 40 FEEB CO/C(=N\[C@@H](NC(=S)NN)C(Cl)(Cl)Cl)c1ccc(C)cc1 102628477 SLTWZHKHOSAPOE-HLGUWXJESA-N 369.705 2.422 30 40 FEEB N#Cc1ccccc1/N=C(\O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 82093509 FQZZRAJMPRNEMR-HNNXBMFYSA-N 373.434 2.429 30 40 FEEB COc1cc(C#N)ccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2 16084402 JGFRFEINUBLNDR-UHFFFAOYSA-N 361.375 2.496 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 7979214 ATFPWPOEWPVHMJ-UHFFFAOYSA-N 370.361 2.318 30 40 FEEB C=C(C)CN1CCN([C@@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36352735 XNSGYLJDVYKUHB-GOSISDBHSA-N 371.437 2.196 30 40 FEEB Cc1occc1C(=O)N1C[C@@H]2OC[C@H](CCOc3ccc(C#N)cn3)[C@@H]2C1 248040150 SNWLXWPSUIZBFP-SZMVWBNQSA-N 367.405 2.411 30 40 FEEB O=C1N/C(=N\S(=O)(=O)Cc2ccccc2)S/C1=C/c1cccnc1 20828719 LFQPWPDYEAQENG-NTEUORMPSA-N 359.432 2.172 30 40 FEEB COc1ccccc1-c1n[nH]c(/N=C(\O)CNC(=O)/C=C/c2ccco2)n1 52779039 SWZPYKKYKOACLB-CMDGGOBGSA-N 367.365 2.491 30 40 FEEB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1/N=C/c1ccc(Cl)cc1Cl 106537291 DKGFBWOOMIITLX-LGYSFZEESA-N 364.279 2.476 30 40 FEEB C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OCC)c1OCC 409073969 ONVKYLKLGJSZBM-UHFFFAOYSA-N 360.435 2.127 30 40 FEEB C=CCNC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1C1CC1 2732257 NSJIRVNYOXVNPX-LFIBNONCSA-N 371.462 2.432 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(C(=O)[C@@H]4COc5ccccc5C4)C[C@H]3C2)nc1 1888879430 TWYLTBCZKZVBLT-GBESFXJTSA-N 374.444 2.099 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 5271799 YOXNFYGTYFAVEN-JBYPSWIKSA-N 352.481 2.431 30 40 FEEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(CCCOC)C1=O 4744570 OAGUVASPLAKLRM-ZGTROFRASA-N 356.469 2.122 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(=O)O)[C@H]2c2ccccc2)cc1 102721919 BAGVQABBARUCCW-HVESIFNPSA-N 367.357 2.202 30 40 FEEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl)C1CC1 101299175 BTWVNBYAMZDJAU-BREGNPSQSA-N 370.883 2.351 30 40 FEEB C[C@H](NC(=O)c1ccccc1)/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48505280 AFCCEYBFXIDWMB-ZDUSSCGKSA-N 371.418 2.163 30 40 FEEB C=CCNC(=O)[C@H](CCSC)NC(=O)N1CC(O)=Nc2ccccc21 13625141 QDKRLMUYGRMVSQ-ZDUSSCGKSA-N 362.455 2.228 30 40 FEEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)C1CC1 5270146 JJTZOTSSFWENJK-RGHHBTPQSA-N 370.883 2.351 30 40 FEEB CNC(=O)N(O)[C@H]1N(/N=C/c2ccccc2OC)C(=S)SC1(C)C 4795119 SCRKGNWPTAUYHH-UDPFGDFPSA-N 368.484 2.498 30 40 FEEB CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCC(N)=O 408979068 LBUGGGZFORRUDV-UHFFFAOYSA-N 366.421 2.344 30 40 FEEB O=C1c2ccccc2C(=O)N1CC/C(O)=N/S(=O)(=O)Cc1ccccc1 48595016 UYDPWMAFGPFSMC-UHFFFAOYSA-N 372.402 2.159 30 40 FEEB N#Cc1cn(CCC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c(=O)nc1O 602051803 FGQYIAGTEVTFRB-OAHLLOKOSA-N 372.812 2.228 30 40 FEEB N#CC1(CNC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CCCCC1 600104284 DSRHLMUCZVNJNO-UHFFFAOYSA-N 355.438 2.363 30 40 FEEB CCCOc1c(Br)cc(/C=N/n2nnnc2N)cc1OCC 5708148 PDXREIRENSWPFC-LZYBPNLTSA-N 369.223 2.088 30 40 FEEB N#CC1(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)CCCC1 1565544866 UDTNWAZRHCFLFC-UHFFFAOYSA-N 356.474 2.080 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 100937578 MZQOWKNYSMRNTM-KBUSKATCSA-N 362.835 2.100 30 40 FEEB C=CCNC(=O)CSc1nnc(CCn2nc(C)cc2C)n1C1CC1 2792358 QFCWQBFOMZKPPI-UHFFFAOYSA-N 360.487 2.063 30 40 FEEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2ccco2)c2ccccc21 1889225 BHHWNBAIJOPXRZ-NXVVXOECSA-N 352.346 2.333 30 40 FEEB C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)N1CCc2sccc2C1 26839745 DJJVTSNGJQYJQA-ZDUSSCGKSA-N 361.492 2.345 30 40 FEEB N#Cc1ccc(OC/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)cc1 58151590 YZNBAMUEJNOOHJ-UHFFFAOYSA-N 365.798 2.472 30 40 FEEB COc1cc(/C(O)=N/S(C)(=O)=O)ccc1OCc1c(C)noc1C 48479392 ZDUUMEZXDKZYSR-UHFFFAOYSA-N 354.384 2.143 30 40 FEEB C=CCn1c(CC)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 13945014 KWKRNDQHYSTIOQ-UHFFFAOYSA-N 371.510 2.467 30 40 FEEB C=CCN1C(=O)c2ccc(C(=O)NC3(C(=O)OC)CCCCC3)cc2C1=O 14162581 NECJTBRUJYFMAK-UHFFFAOYSA-N 370.405 2.074 30 40 FEEB Cc1nc(-c2ccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)s2)cs1 14166624 MXHLWWNYDDQGPP-UHFFFAOYSA-N 373.463 2.061 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245229304 SXNKVXSDDHEEDA-SQRZCKLUSA-N 356.513 2.072 30 40 FEEB CC1=NN(c2ccccc2)C(=O)[C@@]12O[C@@]21C(=O)N(c2ccccc2)N=C1C 16607532 XJAFBOLYABJBRZ-PMACEKPBSA-N 360.373 2.340 30 40 FEEB CC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C#N)C1 4275192 HNCBLYGQFOIUEM-UHFFFAOYSA-N 360.351 2.278 30 40 FEEB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N(C)C[C@H](C)C#N)C(C)C)c1 45851799 VBVZELPTQFEBJQ-CXAGYDPISA-N 361.442 2.076 30 40 FEEB COC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 6962480 STGMBPQFHDGBBI-UHFFFAOYSA-N 362.389 2.077 30 40 FEEB C=CCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 13845176 CAHCUBPQECISKM-GOSISDBHSA-N 372.446 2.254 30 40 FEEB N#CC(C#N)=c1s/c(=C\c2cccs2)c(=O)n1-c1ccc(F)cc1F 96793395 VYBFLVBDASNHLE-CHHVJCJISA-N 371.393 2.265 30 40 FEEB C=CCN(CC(=O)OCC)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 95427914 FUUNIZRHSBXMRQ-UHFFFAOYSA-N 365.817 2.061 30 40 FEEB CCc1cnc(N2CC[C@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)nc1 96219262 SWRFNEYPUJDLLF-LPHOPBHVSA-N 350.426 2.156 30 40 FEEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 95915221 KRUNUBNEDARZSE-INGRWJPNSA-N 374.434 2.222 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245229319 UJADGYYPDMOHQB-HTCUDKSTSA-N 370.540 2.318 30 40 FEEB Cc1nc(N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)c2ccncc2n1 1889186703 BXCNBGGCKRRPQP-YJBOKZPZSA-N 357.421 2.315 30 40 FEEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)CC1 244986218 JLALKVGNZURAGP-HDJSIYSDSA-N 366.377 2.197 30 40 FEEB N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(F)c1 72065279 SUCFJHWLRVIYLV-UHFFFAOYSA-N 353.353 2.388 30 40 FEEB Cc1cc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)on1 4945456 HLBAIHAWSHECLQ-UHFFFAOYSA-N 362.392 2.194 30 40 FEEB C=CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2674158 NIOJOLUZBIJIQM-YPKPFQOOSA-N 374.443 2.265 30 40 FEEB N#Cc1ccc(CN2CCN([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 23249318 AMYFQUSPPOAEJB-FQEVSTJZSA-N 374.444 2.008 30 40 FEEB N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3ccccc3nc12 2237790 MLORBBNJIGWMME-UHFFFAOYSA-N 356.389 2.468 30 40 FEEB aggregator C=C(C)CN(CC)C(=O)COC(=O)[C@H](NC(=O)c1ccccc1)C(C)C 28785399 SXODXPCRYLEKFN-GOSISDBHSA-N 360.454 2.409 30 40 FEEB CC(C)[C@H](NC(=O)c1ccccc1)/C(O)=N/S(=O)(=O)c1cccnc1 48531654 XXOSBMPAZOCCDG-HNNXBMFYSA-N 361.423 2.181 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/Cc3ccccc3)C2=O)c1 408536597 SEZUHCBTVXAQHG-DDLUMYACSA-N 351.362 2.165 30 40 FEEB C=CCNC(=O)CCn1c(=O)cc(C(F)(F)F)c2cn(C(C)C)nc21 36621509 QLNFHZHXNLTGOI-UHFFFAOYSA-N 356.348 2.490 30 40 FEEB CCOCCC/N=C(/NCCN(CC)CC)NCc1ccc(OC)cc1 58307517 SFYIRRKOMCHUNS-UHFFFAOYSA-N 364.534 2.499 30 40 FEEB Cn1nccc1C1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 163145333 UOXMHQNZXHJOMB-UHFFFAOYSA-N 362.430 2.140 30 40 FEEB CCCc1nnsc1C(=O)N[C@H]1CC[C@H](Oc2nccnc2C#N)CC1 252551427 UFQDKJFJSWOMEL-HAQNSBGRSA-N 372.454 2.272 30 40 FEEB COc1ccc(C2=C(C(C)=O)Sc3nnc(C)n3N2C(C)=O)cc1OC 4727563 ODMZBQUYYBOPDO-UHFFFAOYSA-N 374.422 2.152 30 40 FEEB C=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 8318366 KLGBNMZKUFGIFE-GOSISDBHSA-N 358.463 2.187 30 40 FEEB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC#N 409409801 XDXWAXODGYWCTK-VBKFSLOCSA-N 363.373 2.449 30 40 FEEB O=C(C[C@H]1NC(N/N=C\c2ccccc2)=NC1=O)Nc1cccc(Cl)c1 61721243 LGLQRXHEBVKZGS-UWOKGBPVSA-N 369.812 2.147 30 40 FEEB N#Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccccc2)cc1 19169483 KBSZIIDSUPTJLQ-FHWLQOOXSA-N 358.401 2.094 30 40 FEEB Oc1ccc2ccccc2c1/C=N\NC(=S)N[C@@H]1CN2CCC1CC2 17379810 XFQFDFWONSBRIF-LELXDKESSA-N 354.479 2.438 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccc(OC)c(OC)c2)cc1 103515378 IWKKMFTVVLDWLE-GROYHEBESA-N 369.373 2.422 30 40 FEEB C=C(C)C[C@@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 3231239 BMKMRTFBOUSADG-ZPFYTHJMSA-N 355.390 2.401 30 40 FEEB biogenic C=C(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O 12648356 CAWZUHPQDAQTTG-UHFFFAOYSA-N 369.400 2.154 30 40 FEEB Cc1cccc2c(=O)n(C/C(O)=N/c3nc(-c4ccco4)n[nH]3)cnc12 12893190 NHIGWXMEJBZZHJ-UHFFFAOYSA-N 350.338 2.371 30 40 FEEB C#CCN1CCN(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CC1 95446522 DQTQBTYFWZBOSA-UHFFFAOYSA-N 351.834 2.148 30 40 FEEB S=C(NN=C1CCCc2cccnc21)N1CCN(c2ccccn2)CC1 1453378927 UTDAKQMBNSHJJB-UHFFFAOYSA-N 366.494 2.214 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1CC 16741017 WLPQJYLVUCMHDA-HJPHCXOUSA-N 352.481 2.260 30 40 FEEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 102508913 ZBKHFSVZENPVEG-GHNGSUTGSA-N 365.433 2.373 30 40 FEEB CCCCCCCCn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C 8424645 REKFAEQCDRNYPV-UHFFFAOYSA-N 366.487 2.465 30 40 FEEB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 97377745 PHUKVJYQZGDXSQ-DYVFJYSZSA-N 370.430 2.360 30 40 FEEB N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCSCCCO)n1 513112776 FIJKQBKUPOCASA-UHFFFAOYSA-N 363.418 2.120 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 95915203 HGUCMUSCDIICCD-QLXQBBHQSA-N 352.481 2.315 30 40 FEEB COc1ccc(C#N)cc1CN1CCC[C@](O)(c2cn(C(C)C)nn2)C1 583617976 PLZPICWSEKORLX-LJQANCHMSA-N 355.442 2.223 30 40 FEEB N#Cc1cnn2c(O)cc(CSc3nc(-c4ccccc4)cn3N)nc12 40114130 QTAHIBAJSMFFKN-UHFFFAOYSA-N 363.406 2.176 30 40 FEEB CCc1ccc(C(=O)/C=C\Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1 4957219 PZTKCRVTWGWODD-QXMHVHEDSA-N 372.450 2.229 30 40 FEEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)n1 7138931 YIPLAYGNKXSQBU-ZDUSSCGKSA-N 367.386 2.326 30 40 FEEB CC1=CC(=O)/C(=C2/C[C@@H](c3cn(C)nc3C)N(c3ccccc3)N2)C(=O)O1 102449295 VVYPWSDIRKOHSW-PJCCXHTNSA-N 364.405 2.468 30 40 FEEB Cc1cccc(S(=O)(=O)N2CCN(Cc3cccc(C#N)c3)CC2)c1 14162345 SGVCETNIOCACLE-UHFFFAOYSA-N 355.463 2.373 30 40 FEEB N#Cc1cc(I)c(N)c(I)c1 138480922 KZAZYYFHLABYQG-UHFFFAOYSA-N 369.931 2.350 30 40 FEEB CN(C)c1ccc(/C=C/C=N/NC2=NS(=O)(=O)c3ccccc32)cc1 3671460 QECDJWYTQXJUBK-NRNUCHLISA-N 354.435 2.490 30 40 FEEB C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 22406742 UZXTZNIHRAFQRU-HIFRSBDPSA-N 366.483 2.468 30 40 FEEB N#Cc1cccc(OCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 24779224 AXDSCDIXUJLKPW-UHFFFAOYSA-N 366.377 2.194 30 40 FEEB Nc1nc(N2CCOCC2)nc2c1[C@H](c1ccco1)C1=C(CCCC1=O)N2 20673793 TUQMAFRHFTYWNU-OAHLLOKOSA-N 367.409 2.053 30 40 FEEB COCCN1CCCC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1=O 108533522 FCEDIIMAJHBCGC-UHFFFAOYSA-N 355.438 2.049 30 40 FEEB C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C(/N)c1cccnc1N1CCCCC1 58406610 WERMIBOJTGBQGF-WBVHZDCISA-N 373.501 2.404 30 40 FEEB Cc1ccc[n+](-c2[nH]c(=O)sc2/C=N/NC(=S)Nc2ccccc2)c1 13161869 CNLVERKMBLBBJE-UHFFFAOYSA-O 370.483 2.342 30 40 FEEB Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N1C[C@@H](C)O[C@H](C)C1 407983483 POUCJIODWIALDG-CHWSQXEVSA-N 373.840 2.471 30 40 FEEB C=C[C@H]1OCC[C@@H]1CNC(=O)c1cc(Br)cc(C(=O)O)c1 1616053266 WXTUBJFHGLIPAG-NOZJJQNGSA-N 354.200 2.468 30 40 FEEB N#Cc1c(I)ccnc1I 12359359 INCJBCHICXNSJJ-UHFFFAOYSA-N 355.904 2.162 30 40 FEEB C[C@H]1CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CC2)C[C@@H](C)O1 12622684 FLEQTDQLCKIVDS-VNHYZAJKSA-N 365.437 2.129 30 40 FEEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccncc1 4857897 JXUHHWAMXZLMLM-CQSZACIVSA-N 359.455 2.217 30 40 FEEB CCC[C@@H](C)NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32777905 HCYDEKAOSJZZGC-CQSZACIVSA-N 371.441 2.233 30 40 FEEB Cc1ccc([C@H]2CCC[C@@H]2N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)cc1 76063796 HUEOXNJPYKABHO-WBVHZDCISA-N 352.438 2.037 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccco2)[C@H]1c1ccccn1 20566823 YSFCZBYVGPBWCE-IUCWEXEZSA-N 367.405 2.214 30 40 FEEB CCOc1cc(/C=N/NC(=N)N)ccc1OC(=O)c1ccc(OC)cc1 408767203 DXFPQBVHQUNYNA-SRZZPIQSSA-N 356.382 2.130 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)ccc1O 222313268 YTDUBYPQQWZWGR-CQGASEIVSA-N 352.390 2.178 30 40 FEEB C[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@]12CCN(c1cccnc1)C2=O 1614932604 LTMDLPWMILJIIH-FOIQADDNSA-N 352.438 2.367 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 101313034 UTIBLNXEZQIYCS-QLXQBBHQSA-N 352.481 2.315 30 40 FEEB COc1ccc(NC(=O)CN(C)CC(=O)Nc2sccc2C#N)cc1 3541553 BTKNLEXMIWIDDR-UHFFFAOYSA-N 358.423 2.137 30 40 FEEB C=CCNc1nnc(SCC(=O)NC(=O)c2ccccc2OC)s1 7779609 WOAFXRDZGWDFBO-UHFFFAOYSA-N 364.452 2.193 30 40 FEEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OCC#N)cc23)CC1 40286782 BYBNKTUOTPIHBV-LJQANCHMSA-N 368.437 2.390 30 40 FEEB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 46830037 SFJCJBJSELMNAG-AEFFLSMTSA-N 371.485 2.380 30 40 FEEB Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)N[C@](C)(C#N)C1CC1 55852086 RFVLCPHUCMVDOT-HXUWFJFHSA-N 354.454 2.451 30 40 FEEB C/C(=C/C(=O)ONC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccccc1 16136455 LTIRLTBOKPBPJS-QBFSEMIESA-N 355.350 2.476 30 40 FEEB CC1=NN(c2ccccc2)C(=O)[C@]12O[C@@]21C(=O)N(c2ccccc2)N=C1C 16607535 XJAFBOLYABJBRZ-BGYRXZFFSA-N 360.373 2.340 30 40 FEEB N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)N1CCOCC1 5144417 PAWGFIQPSQYUGQ-UHFFFAOYSA-N 350.374 2.241 30 40 FEEB CCN(CC)c1ccc(/C=N/NC(=S)NC[C@@H]2CCCO2)c(O)c1 6407491 ZTFQZOPBZUQPDR-BKQORJHRSA-N 350.488 2.215 30 40 FEEB Cc1cccc([C@H]2CCCCN2c2c(C#N)c(=O)n(C)c(=O)n2C)c1C 80758342 QPRKTSHXWNCTOJ-QGZVFWFLSA-N 352.438 2.304 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)NC1=S 231388717 GROWQOMGVONWDQ-RMKNXTFCSA-N 351.771 2.061 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)c(Cl)c1 581477472 LOFLRXDQGNKSSE-TZMCWYRMSA-N 352.843 2.401 30 40 FEEB C#CCCCCC(=O)NC/C=C/CNC(=O)c1ccc(-n2cccn2)cc1 1775996907 MLHHGESCIXVPOA-VOTSOKGWSA-N 364.449 2.468 30 40 FEEB C=CCN1C(=O)N=C(O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C1=O 8994521 BLCWKTNERRHLLE-ZQHYZAEZSA-N 355.398 2.102 30 40 FEEB COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 3541614 SHQRJXQEPBUTTD-CQSZACIVSA-N 366.421 2.464 30 40 FEEB O=S(=O)(c1cccc(N/N=C2/C=Nc3ccccc32)c1)N1CCOCC1 109953226 YLKVVXKRLJVMHO-UZYVYHOESA-N 370.434 2.240 30 40 FEEB O/N=C\C(=N/c1ccc(-c2ccc(/N=C(\C=N\O)NO)cc2)cc1)NO 104246313 JVUHOZSZCPTZEW-BUOZRGFLSA-N 356.342 2.291 30 40 FEEB CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 108064080 KCGGOJPFAITKPS-CSFVBSKPSA-N 353.422 2.472 30 40 FEEB N#Cc1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 10959194 NOZMQBXYHUZKIG-UHFFFAOYSA-N 352.419 2.282 30 40 FEEB C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1 3437810 RXYUKTKEZMPBDS-UHFFFAOYSA-N 360.435 2.090 30 40 FEEB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sccc2C#N)C1=O 14171419 SOCOCYZLNDMKBH-QGZVFWFLSA-N 354.391 2.025 30 40 FEEB C#CCOc1ccc(F)cc1NC(=O)NC1CCN(C[C@@H](O)CC)CC1 95996553 XWAVOEXRXGESED-INIZCTEOSA-N 363.433 2.195 30 40 FEEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 5629745 KEPMFXDRQTVZMG-LBPRGKRZSA-N 354.362 2.379 30 40 FEEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O 51316063 XARZPWXTKIXUKT-UHFFFAOYSA-N 353.353 2.127 30 40 FEEB COCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 36656469 BCVFRBNGCPBMMD-CQSZACIVSA-N 358.394 2.156 30 40 FEEB COc1ccc(CNC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 225489141 XSNUEEMZUIFPQS-MRXNPFEDSA-N 367.409 2.110 30 40 FEEB N#Cc1cccnc1N1CCCN(C(=O)CCc2ccccc2O)CC1 55740543 NQGQARRYCDOBBM-UHFFFAOYSA-N 350.422 2.330 30 40 FEEB C=CCNC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)N1CCCC1 10333922 YONSFUXGZDKMLC-IBGZPJMESA-N 351.450 2.395 30 40 FEEB N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCOc3ccccc32)cc1 40131095 NEYRRJZQCLCDTC-QGZVFWFLSA-N 370.430 2.113 30 40 FEEB CC(=O)NCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 101478514 ATDOOLMKUSKGCA-SELCWUDQSA-N 364.401 2.244 30 40 FEEB CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4318793 RDDMGLHUBKAVJO-INIZCTEOSA-N 365.433 2.211 30 40 FEEB N#Cc1ccccc1OCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 5830091 PDVWFAYBENPSNU-QGZVFWFLSA-N 370.430 2.157 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)c(Cl)c1 97054140 QPMGNSMJKBGDSM-CQSZACIVSA-N 363.826 2.449 30 40 FEEB N=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)N[N+](=O)[O-] 408718476 ZOHOOQQBSNRLQQ-CHHVJCJISA-N 352.148 2.349 30 40 FEEB C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)NC1=S 220547207 MPAYCOZGMSACJW-JXMROGBWSA-N 351.771 2.061 30 40 FEEB C#CCOc1cc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1OC 524734000 LIXLXJDZCLWUHH-CQSZACIVSA-N 353.374 2.155 30 40 FEEB COc1ccc(Cc2n[nH]c(N/N=C/c3ccc(C)o3)nc2=O)cc1OC 12139756 RDGIXBJOKWULHJ-VXLYETTFSA-N 369.381 2.120 30 40 FEEB Cc1ccccc1NC(=O)C(=O)[C@H]([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-] 1626678 ATJDQFODUOZFLO-ZBFHGGJFSA-N 354.318 2.060 30 40 FEEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 51316040 TUSBJRLYHLJUEA-UHFFFAOYSA-N 353.353 2.127 30 40 FEEB C[C@]12CC[C@@H]3[C@@]45CCC(=O)C=C4CC[C@@]3(O[C@@H]5O)[C@@H]1CC[C@@H]2C(=O)CO 118940005 NZXFRHUXGRUMMY-PSZFZNCLSA-N 360.450 2.147 30 40 FEEB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(C#N)cc1 12555306 ZDJIMCVSNDYIEV-UHFFFAOYSA-N 365.433 2.432 30 40 FEEB N#Cc1cccc(S(=O)(=O)/N=C(\O)[C@H]2CC(=O)Nc3ccccc32)c1 48601129 IINOHIAIGDALIQ-AWEZNQCLSA-N 355.375 2.329 30 40 FEEB CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CC[C@@](O)(C(F)(F)F)C1 72308489 ASTJVJUKVBNZOV-INIZCTEOSA-N 373.350 2.045 30 40 FEEB C#CCOc1c(Br)cc([C@H]2N[C@@H](C(=O)O)CS2)cc1OC 408814700 HLXJBMMQOCTOTJ-MFKMUULPSA-N 372.240 2.258 30 40 FEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(Cc4ccncc4)C3)C2)n1 96229101 WNHMPOJDMHUJQF-OAQYLSRUSA-N 363.465 2.467 30 40 FEEB N#Cc1c2n(c(=O)n(Cc3csc(-c4cccs4)n3)c1=O)CCC2 58016305 BSPXRNPKSVOHDG-UHFFFAOYSA-N 356.432 2.061 30 40 FEEB COc1cc(/C=C/C(=O)C(CN(C)C)CN(C)C)cc(OC)c1OC 1582574 FRHCUPRMFQUAAT-CMDGGOBGSA-N 350.459 2.034 30 40 FEEB Cc1nonc1CN1CCN(c2oc(-c3ccccc3)nc2C#N)CC1 28405912 FIXKSBJPGNBQOS-UHFFFAOYSA-N 350.382 2.227 30 40 FEEB CCCCCCCCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12 100960723 QYGXXRKUPWVVJP-UHFFFAOYSA-N 358.442 2.016 30 40 FEEB C[C@H]1CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CC2)C[C@H](C)O1 2348135 FLEQTDQLCKIVDS-KCQAQPDRSA-N 365.437 2.129 30 40 FEEB NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 2779716 NCPXDQNFCZEIEJ-UHFFFAOYSA-N 368.230 2.105 30 40 FEEB C#CCNC(=O)[C@@H](C)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 56170876 NSXSOOLWQFDYTF-MRXNPFEDSA-N 356.470 2.051 30 40 FEEB CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](/N=C\c2ccccc2)[C@H]1O 104169327 OYPGACRUYYAGDH-WDEURTATSA-N 369.417 2.321 30 40 FEEB N#Cc1c(NC(=O)COC(=O)c2nccnc2N)sc2c1CCCCC2 10139299 NUJXVKRQOOCYBK-UHFFFAOYSA-N 371.422 2.056 30 40 FEEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@@H](C)NC(=O)OC(C)(C)C)c1 48560847 LMNMGGLRWHLCJE-SNVBAGLBSA-N 370.427 2.448 30 40 FEEB COc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(C#N)c2)c1 6561424 HBXNPTMNGOOAAG-UHFFFAOYSA-N 352.394 2.076 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1OC 5516580 QBBLIJOQVHKVNU-SWHNUFMDSA-N 368.480 2.015 30 40 FEEB CNc1oc(-c2cc(S(=O)(=O)N3CCCCC3)c(C)o2)nc1C#N 40288094 AHECYSSLGZTTGO-UHFFFAOYSA-N 350.400 2.331 30 40 FEEB CC(C)NC(=O)c1cn2c(n1)[C@H](C)N(C(=O)c1cccc(C#N)c1)CC2 585096611 WBGWXVYFAQNJFN-ZDUSSCGKSA-N 351.410 2.110 30 40 FEEB C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]12 17375946 OIGPMJCLTDSPPN-BMLONVNBSA-N 374.477 2.236 30 40 FEEB O=c1[nH]c2cc(Cl)ccc2nc1/C(=N\O)[C@H](O)c1ccc([N+](=O)[O-])cc1 17917090 BUNZELLKAVADAP-OOWUWCJESA-N 374.740 2.397 30 40 FEEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 69284122 HRHJOVOCULFITF-DOMZBBRYSA-N 353.440 2.405 30 40 FEEB Cc1ccc([C@H](CNC(=O)COc2ccc(C#N)cc2)N2CCOCC2)o1 12622974 KBXRBKAQYLSBEV-SFHVURJKSA-N 369.421 2.028 30 40 FEEB COCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2302868 WYMWYIQTKUGUQH-OAHLLOKOSA-N 367.453 2.380 30 40 FEEB Cn1cncc1CN1CCO[C@]2(CCCN(c3cccc(C#N)c3)C2)C1 96226292 MTTGERNMRYKGIZ-HXUWFJFHSA-N 351.454 2.163 30 40 FEEB C=CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(C)n1 19552340 PENGSJMUGXBYBW-FDFHNCONSA-N 366.509 2.240 30 40 FEEB C=CCS(=O)(=O)N(C)Cc1nc(N2CCCC2)ncc1-c1ccccn1 19586332 HLVFBCYSHBQMLU-UHFFFAOYSA-N 373.482 2.086 30 40 FEEB C[C@H]1CN(CCCNC(=O)CSCc2ccc(C#N)cc2)C[C@H](C)O1 40120884 XXJRQJZPQJPZDI-HOTGVXAUSA-N 361.511 2.407 30 40 FEEB Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H]2COc3ccccc3O2)n1 6606087 YCKODBVUPSKYRW-IAQYHMDHSA-N 358.375 2.011 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 21472472 WZRBJMHJXWRUQT-HXUWFJFHSA-N 363.417 2.042 30 40 FEEB COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 14161131 YHVWYBURUCFDRP-UHFFFAOYSA-N 371.462 2.073 30 40 FEEB CSc1ncccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N 5858884 SPABTFQJIILXSG-UHFFFAOYSA-N 372.362 2.379 30 40 FEEB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1/N=C/c1ccc(Cl)cc1Cl 9575252 DKGFBWOOMIITLX-LYWBVARKSA-N 364.279 2.476 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)Nc2ccccc2OC(F)F)c1C#N 32776370 YVQJXNZNZLSYQM-UHFFFAOYSA-N 366.349 2.282 30 40 FEEB C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3 40393738 VKWNXJLVNFOOOS-QNIDSSLUSA-N 352.427 2.340 30 40 FEEB biogenic,in-vitro O=C(NCC#CCN1CCOCC1)NC(c1ccccc1)c1ccccc1 85470586 TWTPLPHBWSOOPQ-UHFFFAOYSA-N 363.461 2.411 30 40 FEEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)c1 575608095 WHONEOZPTGWLID-OAHLLOKOSA-N 365.389 2.408 30 40 FEEB COc1cc(C#N)ccc1C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 1584576782 RRGCATRVGYOQLW-UHFFFAOYSA-N 371.418 2.141 30 40 FEEB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)c1 6639683 YYKWLOGSENVWDK-CQSZACIVSA-N 366.421 2.464 30 40 FEEB CCN1C(=O)C(=NNc2ccc(C(F)(F)F)cc2)C(=O)N(CC)C1=O 103464433 LZDXDMROOIZLDX-UHFFFAOYSA-N 356.304 2.304 30 40 FEEB CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1cccc(C#N)c1 12920641 SOBKXRIXEZSIRL-UHFFFAOYSA-N 369.446 2.271 30 40 FEEB CC(=O)N[C@@H](/C(O)=N/S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCCC1 48472802 BFEAKNRZAZUOBE-MRXNPFEDSA-N 366.439 2.229 30 40 FEEB O/N=C(/CN1CCN(C/C(=N/O)c2ccccc2)CC1)c1ccccc1 104058508 ILFLQUVVXWLGEO-WRBBJXAJSA-N 352.438 2.361 30 40 FEEB COc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(OC)c1O 96792624 VKRHYVNNVMPULF-GHXNOFRVSA-N 360.387 2.463 30 40 FEEB O/N=C(\CN1CCN(C/C(=N/O)c2ccccc2)CC1)c1ccccc1 22947451 ILFLQUVVXWLGEO-OLAQIDGISA-N 352.438 2.361 30 40 FEEB COc1ccccc1OCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 58201484 YLRUFZIFSYDWMN-UHFFFAOYSA-N 366.421 2.080 30 40 FEEB N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccccc4)C3)C2)nc1 562725356 RXXCJFNRKKFYLH-PKOBYXMFSA-N 362.433 2.459 30 40 FEEB O=S1(=O)CCC[C@@H]1C/N=C(/O)N1CCCn2c(cc3ccccc32)C1 329275347 JTYYCUWMGRCUNX-MRXNPFEDSA-N 361.467 2.338 30 40 FEEB Cc1cn2nc(N3CCN(c4ncc(C#N)cc4Cl)CC3)ccc2n1 1888888091 BSQNCXNVLLXOQY-UHFFFAOYSA-N 353.817 2.284 30 40 FEEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 12741608 SCNNHCRXMLDIIF-UHFFFAOYSA-N 364.452 2.132 30 40 FEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 5218763 ICXZTPMWPZHFED-GOSISDBHSA-N 365.380 2.156 30 40 FEEB COC(=O)c1ccc(CNC(=O)COc2ccc(C#N)cc2OC)cc1 5629876 DOTSLHOZNOPBEE-UHFFFAOYSA-N 354.362 2.049 30 40 FEEB Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c([N+](=O)[O-])n1 9492864 IAIVCIYXGHUBQJ-UHFFFAOYSA-N 357.282 2.096 30 40 FEEB O/C(=N/Cc1nnc2n1CCCCC2)C1CCN(c2cnccn2)CC1 329188841 PLUVNMQUSARNEL-UHFFFAOYSA-N 355.446 2.168 30 40 FEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 48421563 ROBDHXVRGYJBNU-ZDUSSCGKSA-N 350.440 2.431 30 40 FEEB CN(CC#CCNS(=O)(=O)c1c(F)cccc1F)Cc1ccccc1 85470681 RUYWGBLNYUWALF-UHFFFAOYSA-N 364.417 2.379 30 40 FEEB Cc1noc(C)c1CN1C[C@]2(CCN(C(=O)C3(C#N)CCCC3)C2)CC1=O 1565554711 DWYJPXBZZZFUGR-LJQANCHMSA-N 370.453 2.326 30 40 FEEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN4CCOCC4)[C@H]3C[C@H]12 20410698 ZKEGPMBXUFJNDZ-DRJBRKBZSA-N 362.514 2.222 30 40 FEEB biogenic N#Cc1ccc(CN2CCC3(CC2)CC(NS(=O)(=O)C2CC2)C3)cc1 108525229 NTFQZEUNDRTLQM-UHFFFAOYSA-N 359.495 2.385 30 40 FEEB C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C(/N)c1ccc(N2CCCCC2)nc1 58355285 VTSPOOVJSAWYFK-RDJZCZTQSA-N 373.501 2.404 30 40 FEEB CCCn1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)n[nH]c1=O 9054160 XOMBJILZGPVXCV-UHFFFAOYSA-N 359.455 2.329 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 33739822 MTBBFHBPYFTXNJ-UHFFFAOYSA-N 366.483 2.287 30 40 FEEB O=C1[C@H]2[C@@H](C(=O)[C@]3(c4cc(Cl)ccc4Cl)O[C@@H]13)[C@H]1C[C@H]2[C@H]2O[C@@H]12 253618444 PTPJTLPLTXWJEC-BMFRLYOCSA-N 351.185 2.389 30 40 FEEB CCOc1ccnc(N2CCCN(C(=O)c3ccc(C#N)s3)CC2)n1 610863117 ZWZXVFWYGXXJQP-UHFFFAOYSA-N 357.439 2.161 30 40 FEEB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)n1 18190044 HWEMAHGBUUUNIM-UHFFFAOYSA-N 373.394 2.233 30 40 FEEB CCc1nnc2n1N(C(C)=O)C(c1ccc(OC)cc1)=C(C(C)=O)S2 4518285 SWKFTUWGWKZMMH-UHFFFAOYSA-N 358.423 2.397 30 40 FEEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1CC 4699843 JYAMWUGHBQCJGF-FKEVTRRJSA-N 363.439 2.142 30 40 FEEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1)OC 5445590 HLQVUXRMMZPBQO-KRWDZBQOSA-N 368.389 2.279 30 40 FEEB Cc1ncnc(OC[C@]23CCC[C@H]2CN(c2nccc(C#N)n2)C3)c1C 1888864166 DWKVNOOOYRDOOW-HNAYVOBHSA-N 350.426 2.441 30 40 FEEB C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCCCC2)nc1 31507099 JDZGARGNRLLQLW-AWEZNQCLSA-N 374.441 2.019 30 40 FEEB N#CCc1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 22679204 NXCDMIXBDBPRGJ-UHFFFAOYSA-N 352.346 2.319 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 101316696 GCPMYUYAAISWPX-TVZSIIEJSA-N 352.481 2.431 30 40 FEEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)C1CC1 101317301 QOXIKMJPQDGVJB-BREGNPSQSA-N 370.883 2.351 30 40 FEEB CNC(=O)c1ccc(/C=C/C(O)=N/S(=O)(=O)c2ccc(OC)cc2)cc1 48585138 QNVAMXGXCQVJBY-LFYBBSHMSA-N 374.418 2.413 30 40 FEEB CN(/N=C/c1ccc(Br)o1)C1=NS(=O)(=O)c2ccccc21 4715509 XEJJWUOFCRVCBE-OVCLIPMQSA-N 368.212 2.457 30 40 FEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(CN3CCCCC3)o1)[C@H]1C=C[C@H]2C1 409142139 BPNSSLVLLOMRJM-FPHLNOBYSA-N 353.422 2.407 30 40 FEEB CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 591617316 ARBVYUDNARZMTR-INIZCTEOSA-N 355.360 2.387 30 40 FEEB CCOC(=O)[C@@H]1O[C@]12c1cccc3cccc(c13)[C@]21O[C@H]1C(=O)OCC 5085989 CGMQEBARDLMDNR-XAMWDVODSA-N 354.358 2.168 30 40 FEEB O=C(O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 14408822 XRXLWMPODPRXNC-LZYBPNLTSA-N 360.282 2.412 30 40 FEEB C=CCN1CCOC[C@@]2(C1)CN(C(=O)c1cccc(Cl)c1)CCO2 2055815447 TXPNFCYUIKZGTH-GOSISDBHSA-N 350.846 2.069 30 40 FEEB Cc1cccc(NC(=O)CSc2sc3c(=O)[nH]c(=O)[nH]c3c2C#N)c1 4993689 JINRKFUOUFPKOU-UHFFFAOYSA-N 372.431 2.189 30 40 FEEB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2ccncc2)C1=O 3579826 WBXIVAODZHIRLT-LYUVJKPTSA-N 360.320 2.484 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3510534 WDOKBYWBYCHACN-UHFFFAOYSA-N 366.373 2.086 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 408724119 FPTNXZGIDJBRLN-NJBDKOPYSA-N 367.361 2.135 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 32504709 BNBFZLNTHHPCTB-LQBMZVQASA-N 366.508 2.330 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 253618422 BNBFZLNTHHPCTB-PIYAOJSRSA-N 366.508 2.330 30 40 FEEB C[C@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)c1cccnc1N1CCCCC1 58406613 WERMIBOJTGBQGF-DOTOQJQBSA-N 373.501 2.404 30 40 FEEB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(C#N)cc1 3493317 AFVVNYIYDDPALN-WOJGMQOQSA-N 363.373 2.217 30 40 FEEB C=CCc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(OCC)c1OCC 408916647 FOTVDEVVLQOMBD-GXDHUFHOSA-N 374.462 2.469 30 40 FEEB N#C[C@]1(C=O)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218152232 QJYYDIWGRMIQGV-SQNIBIBYSA-N 355.371 2.064 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(CC[C@H](CNC(=O)CC4CC4)CO3)C2)c1 575405313 RZVIDLSYEUMGJR-QGZVFWFLSA-N 367.449 2.096 30 40 FEEB COc1ccc(NC(=O)C[C@H]2S/C(=N\CC(C)C)NC2=O)c(OC)c1 21883886 DJCGVLLLCRILAN-CQSZACIVSA-N 365.455 2.276 30 40 FEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O 9834386 BXGLHNMDBCXWHT-IBGZPJMESA-N 369.327 2.486 30 40 FEEB CC/N=C1\S[C@H](CC(=O)NCCc2ccc(OC)cc2)C(=O)N1CC 12540200 UEWYGXMAFNLZEC-RAJOGRCSSA-N 363.483 2.084 30 40 FEEB N#Cc1ccc(N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)nc1 1888901026 KGHDPBYMMFFCKQ-UHFFFAOYSA-N 358.405 2.442 30 40 FEEB CN(C)c1ccc(N2CCN(c3nc4ccccc4cc3C#N)CC2)nn1 1889191560 LHPNNKFKNBHLJQ-UHFFFAOYSA-N 359.437 2.289 30 40 FEEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccn1 20228953 QTMCIGLERXDHCF-INIZCTEOSA-N 355.394 2.205 30 40 FEEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)c(F)c2)c1=O 51316069 KVFJFTZRHVWDOT-UHFFFAOYSA-N 367.380 2.435 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)N[C@@H]2CCCc3ccccc32)c1C#N 32776378 VGCINPMUZCBLBK-OAHLLOKOSA-N 354.435 2.236 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309640 SXNKVXSDDHEEDA-JFTBPRHVSA-N 356.513 2.072 30 40 FEEB C=CCn1cnnc1SCC(=O)NCC1(c2ccccc2)CCOCC1 53574995 MGQKDDGVSBIODF-UHFFFAOYSA-N 372.494 2.421 30 40 FEEB C=CCN(Cc1ccc(OC)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 55891012 RFVIDWRSODSQGO-UHFFFAOYSA-N 371.437 2.074 30 40 FEEB C=CCOc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NC)c2)cc1 6787701 YGPXZOJXRSSHPX-UHFFFAOYSA-N 374.462 2.432 30 40 FEEB CC(C)N/C(O)=N/S(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 19815469 KUUDCXGUWLYZPK-OUCADQQQSA-N 352.460 2.283 30 40 FEEB O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@@H](c1ccccc1F)N1CCOCC1 329861185 QBYCSMUVAKCHDS-RDTXWAMCSA-N 358.417 2.436 30 40 FEEB CN1CC[C@H](N2CCC(/N=C(/O)CCn3cnc4ccccc43)CC2)C1=O 329342730 SSCFYEVVIZQJGO-SFHVURJKSA-N 369.469 2.078 30 40 FEEB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)SC(N/N=C\c2ccco2)=N1 5769538 IOVLFZXNEIGECK-ODGFMFMFSA-N 360.370 2.369 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 5887722 YFXGTINWOHLDQR-AWEZNQCLSA-N 371.824 2.302 30 40 FEEB N#CCc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 12802121 QRSPSVPFUCJOPP-UHFFFAOYSA-N 355.419 2.446 30 40 FEEB CSc1nc2c(c(N3CCN(c4ncccc4C#N)CC3)n1)CCC2 1888857258 WJGBIZUPKMVGLM-UHFFFAOYSA-N 352.467 2.280 30 40 FEEB N#Cc1nccnc1N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888890815 NGKVWBYOQVBEQR-CALCHBBNSA-N 369.432 2.378 30 40 FEEB Cc1cnc2c(S(=O)(=O)N3CCN([C@@H](C)CC#N)CC3)cccc2c1 40149688 AFLYQLJVYJXLQE-HNNXBMFYSA-N 358.467 2.152 30 40 FEEB Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1 102889382 FAFFDMFTTCIQRJ-HVESIFNPSA-N 371.389 2.019 30 40 FEEB COC(=O)c1cc(N/N=C2\C=CC(=O)c3ncccc32)cc(C(=O)OC)c1 12625508 FRNSYNHXRFJJPY-PXLXIMEGSA-N 365.345 2.224 30 40 FEEB C[C@H](c1nc2ccccc2s1)N1CCN(CC(=O)NCCC#N)CC1 27366553 VMUVLBBCHZDBDM-CQSZACIVSA-N 357.483 2.005 30 40 FEEB CN1C(=O)C(/C(N)=N/OCc2c(F)cccc2Cl)=C(N)C12CCCC2 58370807 MJCCJHBUXNDCBD-UHFFFAOYSA-N 366.824 2.266 30 40 FEEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)c1 4487889 JEKLMIFBLVJBRL-AWEZNQCLSA-N 367.405 2.272 30 40 FEEB CN1Cc2cc(NS(=O)(=O)c3ccc(C#N)cc3F)ccc2NC1=O 548477909 MROZFPGIKOCVJC-UHFFFAOYSA-N 360.370 2.475 30 40 FEEB Nc1ccc(/C=N\N=C2\NC(=O)[C@H](CC(=O)c3ccccc3)S2)cc1 32594688 KVFXDSNZPRGVAM-VBNMEBLOSA-N 352.419 2.463 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 226669032 KWYWMVFAEKHVOI-CYJGZNMTSA-N 361.195 2.429 30 40 FEEB N#Cc1cccc(C(=O)N2Cc3cncn3[C@H](C(=O)NC3CCCC3)C2)c1 585096143 UQAXEWLFJVDYND-SFHVURJKSA-N 363.421 2.011 30 40 FEEB N#C[C@@H](NC(=O)c1cn2c(n1)COCC2)c1ccc(OC(F)(F)F)cc1 599403369 NXJZVMRGCUZZIC-GFCCVEGCSA-N 366.299 2.307 30 40 FEEB CC[N+](CC)=C1S[C@]2(C)CS(=O)(=O)C[C@]2(Br)S1 4935895 MQFOQDBSHUNOEK-ZJUUUORDSA-N 359.356 2.153 30 40 FEEB Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N\O)CC(C)(C)C2 101108433 QZKRFLKXJYZSMO-STZFKDTASA-N 363.458 2.191 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1C 101303511 ZXSPPLMVZKJYDY-UCYUTRIASA-N 358.872 2.270 30 40 FEEB COc1ccc(C(=O)[C@H]2C(C#N)(C#N)[C@@]23CC[C@@H]2CO[C@@H]3O2)cc1OC 100792774 DGCMRHAWYXCCBH-HYLIHCSXSA-N 354.362 2.072 30 40 FEEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(CC=C)C2=O)cc1OCC 4478043 RVJQKIKRYDQMJE-SDNWHVSQSA-N 356.378 2.298 30 40 FEEB COc1ccc(-n2nnnc2SCC(=O)Nc2sccc2C#N)cc1 6406261 QTQDDBXHYHGHNL-UHFFFAOYSA-N 372.435 2.335 30 40 FEEB COc1ccccc1C/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408528396 BDBRPWZETMBLCM-VRCTWVPOSA-N 365.389 2.474 30 40 FEEB CCC[C@H](C#N)NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 60341964 PJWOQIDYFTZRNT-GFCCVEGCSA-N 359.455 2.251 30 40 FEEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)c1cccnc1)OCO3 35311327 XESTVCARMWFLEA-UHFFFAOYSA-N 361.361 2.072 30 40 FEEB Cc1ccc(N2C(=O)N(CC(=O)NC3(C#N)CCCCC3)C(=O)[C@H]2C)cc1 7018915 JEBYCOLJYFYSED-OAHLLOKOSA-N 368.437 2.495 30 40 FEEB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 20028860 AFNKOONVSZGJOW-IBGZPJMESA-N 368.433 2.219 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(=O)Nc2ccccc21 118619810 JSAFHIIKXCFEMR-UHFFFAOYSA-N 364.405 2.171 30 40 FEEB C[C@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)c1ccc(N2CCCCC2)nc1 58355289 VTSPOOVJSAWYFK-DOTOQJQBSA-N 373.501 2.404 30 40 FEEB N#CCn1c(COC(=O)c2ccc3c(c2)OCO3)nc2ccccc2c1=O 3447108 CIGXQNZTQPIZHA-UHFFFAOYSA-N 363.329 2.006 30 40 FEEB Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 79019143 SJLVADSIOMRNBR-LSDHHAIUSA-N 361.446 2.032 30 40 FEEB N#Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](Nc2ncccn2)CO3)c1 96221617 RYXZBTYJWUEQLY-QGZVFWFLSA-N 363.421 2.224 30 40 FEEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)COc2ccccc2F)CC1 252537685 MALJLPWEZNOVDI-HDJSIYSDSA-N 370.384 2.373 30 40 FEEB CCN1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)CC1 20112153 PWZIDACZWRSZDD-WHHPXKAQSA-N 362.514 2.151 30 40 FEEB biogenic COc1ccc(/C=N/OCC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 2652997 HOMJLGPMTPXTDF-DJKKODMXSA-N 358.350 2.422 30 40 FEEB CN(Cc1cccc(C#N)c1)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 103065022 ZIMLMOLKEMBEKM-CALCHBBNSA-N 353.422 2.082 30 40 FEEB CC(=O)N[C@@H](C/C(O)=N/S(=O)(=O)c1cccnc1)c1ccc(C)cc1 42322325 WOSSNYDSTKEUGR-INIZCTEOSA-N 361.423 2.303 30 40 FEEB Cc1ccc(S(=O)(=O)/N=C(\O)NCc2ccc(CN(C)C)cc2)cc1 23718862 CZYJKPRUFGQWPR-UHFFFAOYSA-N 361.467 2.449 30 40 FEEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 408536327 QXCQPODHQRCSHG-CQSZACIVSA-N 367.361 2.305 30 40 FEEB CCN1CCc2c(C#N)c(N3CCOCC3)nc(N3CCCCC3)c2C1 13763862 WLDRXQLOCIDSSH-UHFFFAOYSA-N 355.486 2.158 30 40 FEEB NC(=O)COc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O 408527333 AEKMIIPLMRHCIF-GDNBJRDFSA-N 353.403 2.442 30 40 FEEB CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCc3ccccc32)CC1 92617318 YTXTWHVHBBVZSB-UXHICEINSA-N 354.498 2.298 30 40 FEEB CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cccc(F)c2C#N)C1 95999519 GBPQPQSKEOKITC-LLVKDONJSA-N 363.418 2.176 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 32634780 WWXQNCRPTGWKLI-INGRWJPNSA-N 374.434 2.366 30 40 FEEB C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 46830043 SFJCJBJSELMNAG-FUHWJXTLSA-N 371.485 2.380 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245229320 UJADGYYPDMOHQB-PQDHEXRLSA-N 370.540 2.318 30 40 FEEB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 12568689 PLFKJWRCWKCAIE-UHFFFAOYSA-N 373.434 2.418 30 40 FEEB CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 12986364 LSFOKXZUUNHASR-UHFFFAOYSA-N 361.405 2.255 30 40 FEEB COCc1cc(C)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c1C#N 4384508 JMRGFLUXMWLHRF-UHFFFAOYSA-N 369.465 2.260 30 40 FEEB C=CCOc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409405481 HGPKYZKKWCIAIU-MWDDYTRKSA-N 367.361 2.301 30 40 FEEB N#Cc1ccc(OC[C@]23COC[C@H]2CN(C(=O)C2=CCCCC2)C3)nc1 96109119 UZLQFCRRKSXYOE-XLIONFOSSA-N 353.422 2.307 30 40 FEEB CCCCCc1c(C)[nH]n(/C(N)=N/CCSCc2nc[nH]c2C)c1=O 5501715 JQZOSWZBOUISDT-UHFFFAOYSA-N 364.519 2.345 30 40 FEEB N#CC1(C(=O)N2C[C@@H]3Cc4cnc(N5CCCC5)nc4[C@H]3C2)CCCC1 1565554026 PFYKLHSVUJIIQN-HOTGVXAUSA-N 351.454 2.259 30 40 FEEB CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)ON1C(=O)CCC1=O 2567665 PMWRHLDHQHKTNM-ZDUSSCGKSA-N 368.430 2.457 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC 101306837 YIBWZEGRKSPOEF-QMFPKIHNSA-N 368.480 2.097 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1 24993137 CRWKBXYDTSTZRZ-AWEZNQCLSA-N 372.446 2.098 30 40 FEEB C=C(C)CN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 27940233 XXELQVFFKJKGQZ-UHFFFAOYSA-N 351.877 2.330 30 40 FEEB C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(CC)cc1 4278884 SEJPSNHHMNRQKB-HNNXBMFYSA-N 367.405 2.186 30 40 FEEB Cc1ccc([C@H]2/C(=C(\O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)o1 6382659 AGOSDSHLJQCYDP-HVESIFNPSA-N 369.421 2.356 30 40 FEEB COc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1Br 97940134 HFEFPJUPDLBNRA-XVNBXDOJSA-N 354.156 2.078 30 40 FEEB C/C(=N\Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccn1 7813338 BLKHUATUHIMURV-XSFVSMFZSA-N 359.455 2.487 30 40 FEEB C=C1C(=O)O[C@@H]2/C=C(/C)[C@H]3C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 104215101 UEFXHAIMDIUNBV-UXHZOYDWSA-N 362.422 2.221 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 5375656 YFFFKJDGVICJRS-HJPHCXOUSA-N 352.481 2.315 30 40 FEEB COc1ccc(/C=N/n2c(-c3cnccn3)nn(C)c2=S)cc1OC 1099646 BVAGHXJANYVWMV-DJKKODMXSA-N 356.411 2.307 30 40 FEEB CCOC(=O)c1sc(N)c(C#N)c1Cn1cnc2ccccc2c1=O 31681236 RZQMCCKQBWKZAB-UHFFFAOYSA-N 354.391 2.137 30 40 FEEB N#Cc1ccc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 25286759 GXWSERZMHKDCCB-UHFFFAOYSA-N 360.417 2.149 30 40 FEEB C=CCc1c(COC)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O 22448681 NIXASANKYDPDDR-UHFFFAOYSA-N 358.417 2.111 30 40 FEEB CCOc1ccc(N2/C(=N\C(=O)CC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 32505326 GBDZUTUALMWVNB-BKJYESAMSA-N 368.480 2.097 30 40 FEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)CO)cc1 218104962 GULZMGUKVRZKRD-GUDVDZBRSA-N 357.431 2.446 30 40 FEEB C=CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)CC)s2)cc1 223212549 BBOKXIKMXKIUEP-UHFFFAOYSA-N 368.440 2.252 30 40 FEEB N#Cc1ccc(C(=O)N2CCCn3nnc(COCC4CC4)c3C2)cc1 96258968 CFZDEYBVCCXALA-UHFFFAOYSA-N 351.410 2.122 30 40 FEEB Cn1c(=O)n(Cc2ccccc2C#N)c(=O)c2ccc(C(F)(F)F)nc21 31452497 ZMFPRCOXWJXSBC-UHFFFAOYSA-N 360.295 2.034 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 16995141 YSRDLQFOMABVER-HNNXBMFYSA-N 354.318 2.469 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccccc1F 8737954 OTLPNUKPYLNKEA-IBOXJLQUSA-N 358.369 2.402 30 40 FEEB COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2C#N)cc1 32899543 ICBSKPYHYCBSDZ-LJQANCHMSA-N 363.417 2.089 30 40 FEEB COc1cc(/C=N/N=c2/sc3ccccc3n2C)ccc1OCC(N)=O 96688255 RWXMFSVBSGWPEU-GSTIJIFKSA-N 370.434 2.047 30 40 FEEB Cc1cc(C)cc(OCc2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)c1 1775975118 DVVUOXLQLHFPLJ-UHFFFAOYSA-N 354.410 2.444 30 40 FEEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)OC 5445587 MKNVDTQMHJGXHP-MRXNPFEDSA-N 357.362 2.477 30 40 FEEB COc1ccc2cc(C(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)ccc2c1 23043205 CACZROGUJABOMD-VQHVLOKHSA-N 350.374 2.142 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 12508267 SQLPVZNQWSFBHY-UHFFFAOYSA-N 360.391 2.101 30 40 FEEB C=CCN1C(=O)[C@@](O)(c2sc(N3CCOCC3)nc2C)c2ccccc21 3289522 CVDHYEMGSBJVGX-IBGZPJMESA-N 371.462 2.057 30 40 FEEB C=C(C)C[C@H]1N(CCc2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4044176 PQWSQJPHBKAWTP-YXZMJPADSA-N 353.418 2.431 30 40 FEEB biogenic N#Cc1c(F)cccc1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 65489580 PTQCFZMEIDJOHM-ZDUSSCGKSA-N 355.369 2.434 30 40 FEEB CN(C)c1ccc(/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4738566 ZYPQWAPHCICWQB-XYHOIZSOSA-N 368.368 2.493 30 40 FEEB Cc1c(C)n(CCO)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 9302729 AJJOJYBYDRGYEN-UFFVCSGVSA-N 364.409 2.239 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 96286711 WLPBEPHDACUUEX-HJPHCXOUSA-N 352.481 2.084 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 32502858 BJZIXEKHKHOZPU-KRGDBVFUSA-N 370.471 2.473 30 40 FEEB Cc1sc(NC(=O)CN2CCN(c3ccccn3)CC2)c(C#N)c1C 19559616 VNBBWXNRJMXRCV-UHFFFAOYSA-N 355.467 2.392 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(OC)c1 101313354 CEYIAPZASAIFQH-FZJVYVCZSA-N 368.480 2.097 30 40 FEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)Sc2nncn2C)c(C)c1 48476389 RHRHRZOYWHPRLH-NSHDSACASA-N 354.457 2.258 30 40 FEEB COc1cc(CCNC(=O)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC 14184801 KTUNRFQFFZPKME-UHFFFAOYSA-N 355.350 2.456 30 40 FEEB C=CCN(c1ccc(C(=O)NCCCOC(C)C)cc1)S(C)(=O)=O 408549510 ZEMHXNKOTOUIPT-UHFFFAOYSA-N 354.472 2.184 30 40 FEEB CC1(C)OB(C2CCN(C(=O)NCC3[C@H]4COC[C@H]34)CC2)OC1(C)C 1776007406 AHOHTOCUSZWFRI-HUUCEWRRSA-N 350.268 2.147 30 40 FEEB N#Cc1ccccc1NC(=O)C(=O)NCC1(c2ccsc2)CCOCC1 952990284 XUHJROZGTIBMSB-UHFFFAOYSA-N 369.446 2.423 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CN(C(=O)[C@@H]4COc5ccccc5C4)C[C@H]3C2)nc1 1888879432 TWYLTBCZKZVBLT-IPMKNSEASA-N 374.444 2.099 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(O)cc1 104235888 DEEFWWUYQPYHSK-GROYHEBESA-N 353.374 2.460 30 40 FEEB Cn1ccnc1SCc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 58228072 MPIFKSOIVMZRLX-UHFFFAOYSA-N 363.406 2.431 30 40 FEEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1 3392737 PUCVMXVPWQPQAU-XSFVSMFZSA-N 373.478 2.452 30 40 FEEB C=CCSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 5114152 ZOKBADFYJVDBTD-UHFFFAOYSA-N 367.496 2.355 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 6515305 BNZOESRIGQHBCW-UHFFFAOYSA-N 354.790 2.052 30 40 FEEB COc1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)c2C#N)cc1OC 9315113 ILUICVVPZCCZJK-SECBINFHSA-N 373.438 2.254 30 40 FEEB C/C(=N/N1CCOCC1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 83812972 QXQFNNGUGNMHIR-PGMHBOJBSA-N 373.478 2.221 30 40 FEEB COc1cc(/C=C2/C(=O)c3ccccc3N2C(C)=O)ccc1OCC(N)=O 102442117 FHCUTEBQLXSUML-SXGWCWSVSA-N 366.373 2.150 30 40 FEEB C/C(=N\N=C(/C)c1nnn(-c2nonc2N)c1C)c1ccc(Cl)cc1 3983696 PHCHFKZHBUKUEK-GCBPPVMSSA-N 358.793 2.428 30 40 FEEB COCc1cc(C)nc(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C#N 4819953 KRBKNPOKPGEVSP-FBCYGCLPSA-N 369.337 2.491 30 40 FEEB CC(C)C(=O)N1CCC[C@H]1/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 84370529 JNHYXWIUXQGSOH-INIZCTEOSA-N 364.467 2.468 30 40 FEEB CC(C)C(=O)N1CC[C@@H](NC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 95453905 ZLXAPYWZAQYEGK-OLZOCXBDSA-N 356.451 2.277 30 40 FEEB C=CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 95459009 DAQFGTFADWNWPB-UHFFFAOYSA-N 362.373 2.318 30 40 FEEB COc1ccc(C(=O)Oc2ccc(/C=N/n3cnnc3)cc2OC)cc1 7891959 JSAZQNNUOOCPOB-UFFVCSGVSA-N 352.350 2.397 30 40 FEEB N#CCCN(C(=O)CN1CCN(c2ccccn2)CC1)c1ccccc1F 23995430 QBXSQUKLEIWHDC-UHFFFAOYSA-N 367.428 2.290 30 40 FEEB Cn1c(Nc2cccc(/C=C/c3ccccn3)c2)c(C#N)c(=O)n(C)c1=O 12564284 PORRVAGLSHZYGZ-MDZDMXLPSA-N 359.389 2.265 30 40 FEEB C[C@@H](OS(=O)(=O)c1ccc(Br)cc1)C(F)(F)[N+](=O)[O-] 2066579 KUNZVHBBXOKNIP-ZCFIWIBFSA-N 360.132 2.412 30 40 FEEB C=CCO[C@@H](C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 58208474 GMCMHHOASXGIPF-NSHDSACASA-N 355.232 2.485 30 40 FEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)Sc2nncn2C)c(C)c1 48476385 RHRHRZOYWHPRLH-LLVKDONJSA-N 354.457 2.258 30 40 FEEB C=CCN1/C(=N/C(=O)c2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@@H]21 13629888 MWKQAZXCXUXNPE-TWWIOWFMSA-N 370.883 2.237 30 40 FEEB COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 6457787 HIXQGDDONFXGHV-OAHLLOKOSA-N 354.318 2.469 30 40 FEEB N#CC1(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)CCCC1 9512542 AGJBGDLIDZNFNI-UHFFFAOYSA-N 360.502 2.054 30 40 FEEB COC(=O)COc1ccc(/C=N/NCc2ccccc2OC)cc1OC 20762949 QQZLLMCVKVISNL-RGVLZGJSSA-N 358.394 2.379 30 40 FEEB O=c1[nH]c2sc3c(c2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1)CCCC3 4067184 SZTJLRWHEYYXMK-GIJQJNRQSA-N 370.390 2.421 30 40 FEEB COc1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@H]4N3)C(=O)C2)c(OC)c1 9287938 JSINZUVYAIZKTP-SFESLNEESA-N 370.449 2.435 30 40 FEEB COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 2500662 ABRVHGVEXGVWMK-OAHLLOKOSA-N 372.421 2.199 30 40 FEEB C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 6170616 IONYSNPGZXQFGZ-GFCCVEGCSA-N 372.874 2.052 30 40 FEEB N#Cc1cccc(/C=c2/s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)c1 104748262 XRMBNKYJWAFJBY-XXGRXQMWSA-N 366.829 2.454 30 40 FEEB COc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1[N+](=O)[O-] 3442464 JFAITQMBJOXTDS-UHFFFAOYSA-N 355.306 2.271 30 40 FEEB C=CCN1C(=O)[C@@]2(NC(=O)c3cc(OC)c(OC)cc3N2)c2ccccc21 63775226 QKBNRXTWMJSRIW-FQEVSTJZSA-N 365.389 2.245 30 40 FEEB COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccncc1 5045382 FYOSUHNTCAYXQF-QGZVFWFLSA-N 368.389 2.315 30 40 FEEB C=CCN(CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1cccs1 14093971 XUXPBULUYPIBIF-KRWDZBQOSA-N 371.462 2.016 30 40 FEEB C[C@H]1CCC[C@@H](N2CNC(=NS(=O)(=O)c3ccc(F)cc3)NC2)[C@@H]1C 22607960 CBRVECYDAHLVGN-WOSRLPQWSA-N 368.478 2.105 30 40 FEEB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(CC#N)cc2)cc1 224860287 MLIBDYKEHRRIGB-UHFFFAOYSA-N 360.391 2.041 30 40 FEEB C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO 44963781 PIDANAQULIKBQS-HZCIDLMISA-N 372.461 2.012 30 40 FEEB biogenic,in-vitro CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1 20229515 XTKIIBGYHMWUOC-HNNXBMFYSA-N 357.435 2.283 30 40 FEEB C=C[C@H](C)n1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 13813960 PYZMRVZMORERQL-ZDUSSCGKSA-N 351.410 2.104 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2)n(C)c1=O 13814387 JENLYNRVURQXTH-UHFFFAOYSA-N 371.828 2.278 30 40 FEEB COc1ccc(NC(=O)COCC(=O)Nc2ccc(C#N)cc2)c(OC)c1 4679656 GUPVWSJMWHDFDV-UHFFFAOYSA-N 369.377 2.169 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32634162 WZYARDGPBBDMMD-WXRSUEGYSA-N 370.471 2.473 30 40 FEEB CC(C)=NOC1(ON=C(C)C)N=C(N)[C@@]2(C#N)[C@H](C(=O)C(C)(C)C)[C@@]12C#N 35323549 XIHJFXWXSRVLBY-JCURWCKSSA-N 372.429 2.101 30 40 FEEB C=CCSc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1 3379243 KFWZHVLHNVMPSQ-UHFFFAOYSA-N 359.436 2.165 30 40 FEEB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1/N=C/c1ccccc1 2148465 LQDLFBOPTPCJRW-QKXOWGBTSA-N 358.401 2.298 30 40 FEEB C=CCN1/C(=N/C(=O)c2ccc(Cl)cc2)S[C@@H]2CS(=O)(=O)C[C@H]21 13629890 MWKQAZXCXUXNPE-OVJMFRMASA-N 370.883 2.237 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 5370711 RIMPXQJTQJWWAX-UXCNFHJLSA-N 352.481 2.315 30 40 FEEB C=CCOc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC 9752974 RIASKMMERKVBRF-UHFFFAOYSA-N 373.409 2.160 30 40 FEEB N#Cc1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)c(F)c1 1542698815 AHXQGVQAUFUXMT-UHFFFAOYSA-N 367.306 2.402 30 40 FEEB CC1(C)OB([C@H]2CCN(C(=O)Cc3ccccc3C(N)=O)C2)OC1(C)C 1776007772 WTFSKIUBRCJNOM-AWEZNQCLSA-N 358.247 2.023 30 40 FEEB N#Cc1ccnc(N2CCN(C(=O)c3cncc(Br)c3)CC2)c1 40049508 GXADFMOWVKXGGB-UHFFFAOYSA-N 372.226 2.073 30 40 FEEB N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)cc1 4984892 MVOPQWQADMJJIW-GOSISDBHSA-N 374.400 2.148 30 40 FEEB O=C1Nc2ccccc2C(=O)/C1=C\NC(=S)NCCc1ccccc1 104301233 QWTLRVMWDRDAOT-NTCAYCPXSA-N 351.431 2.412 30 40 FEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cc2ccccc2F)CC1 58162216 DQGOKPIIIMQODJ-UHFFFAOYSA-N 354.385 2.454 30 40 FEEB CC(=O)C1=C(C)N=C(N[N+](=O)[O-])N[C@H]1c1ccc(Br)cc1 408730257 GKRXCDBNVFINDE-LBPRGKRZSA-N 353.176 2.094 30 40 FEEB Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccco1 13730524 BMFLJQJMGQCRIF-MRXNPFEDSA-N 372.425 2.150 30 40 FEEB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@]2(C#N)CCSC2)cc1 77034793 NPTDKCUDRLVRJZ-MRXNPFEDSA-N 359.480 2.058 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 36638605 BNBFZLNTHHPCTB-NRLKNGLESA-N 366.508 2.330 30 40 FEEB N#C[C@@]1(C=O)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218152320 QJYYDIWGRMIQGV-FGTMMUONSA-N 355.371 2.064 30 40 FEEB C[N+]1(CC(=O)Nc2ccc(F)cc2)CCN(C(=O)/C=C/c2ccco2)CC1 3192827 AUQJRKWHTYLFER-CMDGGOBGSA-O 372.420 2.359 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(C(=O)[C@H]4COc5ccccc5C4)C[C@H]3C2)nc1 1888879433 TWYLTBCZKZVBLT-QRVBRYPASA-N 374.444 2.099 30 40 FEEB N#CCC(=O)NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 3045218 MPARDPCTVVULQZ-UHFFFAOYSA-N 358.151 2.143 30 40 FEEB CC[C@@H]1Cc2c(nc3nc(C)[nH]c4nc(N5CCOCC5)c(C#N)c2c34)O1 2626491 XNTOLZBQDMJBRP-LLVKDONJSA-N 364.409 2.236 30 40 FEEB C=CCNc1nnc(SCC(=O)Nc2sccc2C(N)=O)s1 5783368 IAFBSULWKMEWSB-UHFFFAOYSA-N 355.470 2.027 30 40 FEEB CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(C)n2)c(C#N)c1C 408528904 XJZUBJNNRUEANU-UHFFFAOYSA-N 365.440 2.262 30 40 FEEB O=C1[C@H](/N=C(/O)[C@H]2CCn3cncc3C2)CCN1Cc1ccc(F)cc1 330158917 QJXKPNFSMXAHSI-WMLDXEAASA-N 356.401 2.342 30 40 FEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)c1 50207000 DBYTWBQVAMHCSK-UHFFFAOYSA-N 361.375 2.197 30 40 FEEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(O)c(OC)c4)cnc3c2c1 2271513 ROIGPCBZPUKYOJ-ZVBGSRNCSA-N 364.361 2.483 30 40 FEEB N#Cc1cnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c(Cl)c1 2298032739 GFRCDLZQZNGXMH-UHFFFAOYSA-N 359.817 2.002 30 40 FEEB Cc1cc(C(=O)OCCOc2ccc(C#N)cc2)cc(S(N)(=O)=O)c1C 21485493 WCQFGMKUWJWWTI-UHFFFAOYSA-N 374.418 2.058 30 40 FEEB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cccc(C#N)c1 3493115 PGHZPYXBUWHFJP-WOJGMQOQSA-N 363.373 2.217 30 40 FEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218092387 SYKBMHDJNOROTH-RYRKJORJSA-N 357.387 2.229 30 40 FEEB Cc1cc(C(=O)N2CC[C@@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)[nH]n1 96072605 JZCKDMUSXRFWNW-VQIMIIECSA-N 351.410 2.076 30 40 FEEB N#Cc1cccc(CN2CCC(NC(=O)c3ccc4nc[nH]c4n3)CC2)c1 593885350 CSKVSSGIVLZTOE-UHFFFAOYSA-N 360.421 2.224 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 225490756 HLOHZWSWNHCINE-OQRGYWNNSA-N 370.434 2.192 30 40 FEEB C=CCn1c(SCc2cscn2)nnc1[C@H]1CCS(=O)(=O)C1 8391531 NIXVXZSCYRHZRI-JTQLQIEISA-N 356.498 2.115 30 40 FEEB CCC[C@@H](C#N)NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 60341963 PJWOQIDYFTZRNT-LBPRGKRZSA-N 359.455 2.251 30 40 FEEB C[C@@H]1CN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)CCO1 24044845 NAUCVQVORWEUIP-GFCCVEGCSA-N 358.467 2.081 30 40 FEEB CCOc1ccc2nc(NCCNC(=S)NCCOC)c(C#N)cc2c1 20151204 JBDPJJLQZGVQLR-UHFFFAOYSA-N 373.482 2.028 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@H](CC)C2 3552824 ZHFIKHRDSXMSJB-NSHDSACASA-N 350.440 2.432 30 40 FEEB CCOc1ccc(S(=O)(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 3526730 CQJZXRYVCLENNM-LDADJPATSA-N 362.407 2.169 30 40 FEEB N#CCn1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc21 409379277 WLXMGSRMGOVIHZ-NTUHNPAUSA-N 357.416 2.451 30 40 FEEB Cc1cc(=N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C#N)c[nH]1 563019521 HCYIISAAVIHFQX-CQSZACIVSA-N 362.480 2.010 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 225480276 GQSHQYVTXMKSOL-OAHLLOKOSA-N 361.405 2.442 30 40 FEEB Cc1ccc(S(=O)(=O)OC[C@H]2Oc3ccc([N+](=O)[O-])cc3O2)cc1 255189438 PWZZRHFUWYXYFH-HNNXBMFYSA-N 351.336 2.406 30 40 FEEB C#CCN1C(=O)N(CC#C)C(=O)C(CC#C)([C@H](CC=C)c2ccccc2)C1=O 5601119 SAHZMSDZVVNQBP-LJQANCHMSA-N 372.424 2.413 30 40 FEEB COc1nc(N/N=C/c2cccc3ccccc23)nc(N2CCOCC2)n1 4596752 DGAKOHLKRHTYJQ-DEDYPNTBSA-N 364.409 2.316 30 40 FEEB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2ccc(C#N)cc2)n1C 4625592 ATXLNSQOZSPCMC-UHFFFAOYSA-N 369.410 2.441 30 40 FEEB CCCNC(=O)c1c(/N=C/c2cc(OC)c(OC)cc2OC)cnn1C 2798344 KSDGSOKDUIDPPK-KEBDBYFISA-N 360.414 2.336 30 40 FEEB CCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 42302765 NFVKNDCKPOJMNZ-KPKJPENVSA-N 356.403 2.475 30 40 FEEB N#Cc1cccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 48642841 YOMWSWUHRJPPQW-UHFFFAOYSA-N 355.375 2.136 30 40 FEEB C#CCNC(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 13005864 BPKVHGDBJUXMOY-UHFFFAOYSA-N 351.431 2.491 30 40 FEEB COc1ccc(CNC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 225489109 XSNUEEMZUIFPQS-INIZCTEOSA-N 367.409 2.110 30 40 FEEB Cc1nc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)ccc1C#N 583619475 ITWYSZQYAMXVKH-OALUTQOASA-N 350.422 2.063 30 40 FEEB CN(C)c1ccnc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1 1888913338 QITKWJINYBJMTQ-UHFFFAOYSA-N 359.437 2.289 30 40 FEEB N#CCSc1ccccc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 12550801 NGGSXYPZTXIMTR-CHWSQXEVSA-N 355.419 2.192 30 40 FEEB C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@]4([C@@H]3CC2=O)[C@@H]1[N+]([O-])(CC)C5 100770582 YAFVVJNTIALWDB-CCKTXCGWSA-N 373.493 2.013 30 40 FEEB COC(=O)c1occc1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1 58185332 MVONNDSZQPTSJR-RMKNXTFCSA-N 357.362 2.429 30 40 FEEB N#Cc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6047467 GZDMFICLYXNQNF-RQZCQDPDSA-N 364.770 2.432 30 40 FEEB CC(=O)Oc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409409790 XBNNMTYZIZRQEU-KUDNYVPYSA-N 358.781 2.406 30 40 FEEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2S(=O)(=O)c1ccccc1F 96082495 UYXXCVPIYPDMDW-JLJPHGGASA-N 355.431 2.196 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245229119 NRAWHIODSJYFAC-PDBNWRLCSA-N 370.540 2.318 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/Cc3ccccc3)C2=O)cc1 408537285 UYBGGYWJKTZTSZ-DORSJAEJSA-N 351.362 2.165 30 40 FEEB CC1(C)OB(C2=CCN(C(=O)NCCC3(O)CCC3)CC2)OC1(C)C 1776000152 DRXGFSYTSCJTCU-UHFFFAOYSA-N 350.268 2.265 30 40 FEEB C[C@H]1CN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)C[C@H](C)O1 23749271 HVYCDSMDJPCCIC-STQMWFEESA-N 372.494 2.470 30 40 FEEB C#CCN1C(=O)[C@](O)(CC(=O)c2ccco2)c2cc(Br)ccc21 2493122 RGNCCIVNSCVBAA-KRWDZBQOSA-N 374.190 2.483 30 40 FEEB C=CCSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)s1 21586168 FKRIGCNCDSKATI-UHFFFAOYSA-N 370.481 2.440 30 40 FEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1565556228 ZKQGLLZGPJFUJX-GHTZIAJQSA-N 369.465 2.040 30 40 FEEB Cc1cc(C)n(-c2cc(N3CCN(c4ccnc(C#N)c4)CC3)nc(C)n2)n1 2086889409 SZVJTDCIMJIXSS-UHFFFAOYSA-N 374.452 2.181 30 40 FEEB C[C@@](C#N)(NC(=O)CN1CCN(Cc2cccc(Cl)c2)CC1)C1CC1 22790004 CODCZEHIANYXPU-IBGZPJMESA-N 360.889 2.266 30 40 FEEB N#Cc1ccc(OC[C@@H](O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 14051470 SIFFZNDWPZHPQV-HNNXBMFYSA-N 355.785 2.305 30 40 FEEB C=CCN(CC(=O)NC(CC)CC)S(=O)(=O)c1ccc(C(C)=O)cc1 14237077 GMZDJLWELSLEDA-UHFFFAOYSA-N 366.483 2.371 30 40 FEEB CC1CCC2(CC1)NC(N1CCN(c3ccccc3)CC1)=NC(=O)[C@H]2C#N 20101721 JWASZKHEVCPSNN-NCYVPVAZSA-N 365.481 2.383 30 40 FEEB CC(C)(C)OC(=O)N[C@@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218657097 MRGPIPIRANVGLC-WWGRRREGSA-N 373.858 2.313 30 40 FEEB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)Cc1ccccc1C#N 24990156 IKRZDOUYUYNHGW-PBHICJAKSA-N 363.483 2.015 30 40 FEEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 3408850 CYQOPTFXIIEOSN-UHFFFAOYSA-N 372.768 2.498 30 40 FEEB CC(=O)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409404100 KGBIJQZOSBMEOO-GVAFMPQTSA-N 358.781 2.406 30 40 FEEB Cn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1cccnc1 9050226 YTIPPQWTUJPGGX-UHFFFAOYSA-N 350.407 2.480 30 40 FEEB C#CCN1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 95365000 NGKFDLHGBRTKAV-LJQANCHMSA-N 353.466 2.027 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@]12C#N 5501050 KJCNTJWPQJELGD-QRQLOZEOSA-N 363.421 2.106 30 40 FEEB Cc1cccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 16741154 CFSNCLWFQPZSKD-HJPHCXOUSA-N 352.481 2.252 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 17028985 QXWGRJKLRCVYDW-BLCHQYFCSA-N 372.899 2.347 30 40 FEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 42233437 OGLYBZBSCIZYMA-NSHDSACASA-N 364.810 2.484 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 17028981 QXWGRJKLRCVYDW-YXEAAEFPSA-N 372.899 2.347 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 5490116 PJCZQMMZVJADLU-OJVXUPTESA-N 356.444 2.227 30 40 FEEB CO[C@@H](/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 83897637 PFMBUBWYNRCLHH-MRXNPFEDSA-N 363.391 2.491 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cc(OC)c(O)cc2Br)C1=O 409125671 JUCVWXFPYZIJAJ-BJMVGYQFSA-N 353.172 2.242 30 40 FEEB C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2C)C(=O)NC1=S 408960392 LJMRLAGFQODARR-VBKFSLOCSA-N 355.463 2.408 30 40 FEEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)c1ccco1)OCO3 35311934 CSWBPHISCWYDFG-UHFFFAOYSA-N 350.334 2.270 30 40 FEEB N#Cc1cccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 190382938 DTQZTUROWABRJL-INIZCTEOSA-N 374.443 2.064 30 40 FEEB N#CC1(NC(=O)CSc2nnc(-c3ccccc3F)n2N)CCCCC1 15278678 MWAFPIMNFIKCQZ-UHFFFAOYSA-N 374.445 2.233 30 40 FEEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 97323822 YXLKLPXMYWXKSZ-XDJHFCHBSA-N 367.321 2.484 30 40 FEEB C[C@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1sccc1C#N 7132237 JURFAZZSJLNEBD-NSHDSACASA-N 359.407 2.208 30 40 FEEB CN1CCN(/N=C/c2nc(-c3cccc([N+](=O)[O-])c3)n3ccccc23)CC1 956905 FINGJGIIYWMEBV-XSFVSMFZSA-N 364.409 2.491 30 40 FEEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(C)=O)CC4)[C@H]3C[C@H]12 20612385 UIGGMXAEKSOOLI-DRJBRKBZSA-N 360.498 2.465 30 40 FEEB biogenic CCOC(=O)C(=NNc1cc(OC)c(Cl)cc1OC)C(=O)OCC 1578222 SRJKHFFXGZXJBA-UHFFFAOYSA-N 358.778 2.251 30 40 FEEB CCO[C@H](C)n1cc([C@@H]2[C@H](C#N)[C@H](N)O[C@@H]3CC(C)(C)CC(=O)[C@@H]32)cn1 408717913 HMTDBNOQQCQJMQ-UOXUNFCQSA-N 360.458 2.350 30 40 FEEB N#Cc1ccc(CC(=O)N2Cc3nccn3C[C@H](CN3CCCC3)C2)cc1 1565552212 WLERFJUNRIPLTP-IBGZPJMESA-N 363.465 2.052 30 40 FEEB Cc1cc(C)cc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101309369 LAZWDEVEKZVHPI-NHYXNVPJSA-N 364.492 2.315 30 40 FEEB C=CCN1/C(=N/C(=O)CC2CCCCC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 13626401 NGHSJBKEGDXWCM-XJFZTKQQSA-N 356.513 2.240 30 40 FEEB C#Cc1cccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)c1 95960542 WOROZVJIVJUNFH-KRWDZBQOSA-N 361.445 2.339 30 40 FEEB CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2(C=O)NC(=O)OC(C)(C)C)cc1 218661758 SIICYELYPCOWAD-RVKKMQEKSA-N 367.467 2.222 30 40 FEEB CCCS(=O)(=O)ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 226859246 PCBDOKVWNUKGCQ-UHFFFAOYSA-N 364.335 2.015 30 40 FEEB O=C1[C@H]2O[C@@]2(c2cc(Cl)ccc2Cl)C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]12)[C@H]1O[C@H]31 101459590 PTPJTLPLTXWJEC-CHFWLUNDSA-N 351.185 2.389 30 40 FEEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 102508919 ZBKHFSVZENPVEG-SELCWUDQSA-N 365.433 2.373 30 40 FEEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl)C1CC1 101299165 BTWVNBYAMZDJAU-BLCHQYFCSA-N 370.883 2.351 30 40 FEEB C#CCOc1ccc(OC)cc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 112264483 ZKPZVYHCUZGUSQ-VTRWUZPTSA-N 364.401 2.238 30 40 FEEB C=CCn1c(N/N=C(C)/C=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4729164 HDRMZLKYGJZNOG-VZHWJRQPSA-N 364.409 2.111 30 40 FEEB CS(=O)(=O)Nc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cn1 585123822 AVRZKGVQLHPWOS-UHFFFAOYSA-N 370.434 2.134 30 40 FEEB O=c1[nH]c2cc(Cl)ccc2nc1/C(=N\O)[C@@H](O)c1cccc([N+](=O)[O-])c1 17213151 SVSIEPUBEGWJQC-NPRIEWAGSA-N 374.740 2.397 30 40 FEEB O=C1NC(=O)N(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[C@@H]1O 1567923 VEVCGFUNQDTPCR-KVLOYDHYSA-N 354.149 2.458 30 40 FEEB Cc1[nH]c2ccc(F)cc2c1CCN/C(N)=N/S(=O)(=O)c1ccccc1 22625348 XMRIDYIISVOYCH-UHFFFAOYSA-N 374.441 2.451 30 40 FEEB C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 40090111 WDANYQJAZHETSJ-CYBMUJFWSA-N 373.434 2.186 30 40 FEEB CCOc1ccc(C(C)=O)cc1Cn1cc(C(=O)OC)cc(C#N)c1=O 25963489 KJRAEMJTSWQKKW-UHFFFAOYSA-N 354.362 2.156 30 40 FEEB C[C@]12CC[C@@H]3[C@@]45CCC(=O)C=C4CC[C@@]3(O[C@H]5O)[C@@H]1CC[C@@H]2C(=O)CO 118940004 NZXFRHUXGRUMMY-CBSPIHFOSA-N 360.450 2.147 30 40 FEEB COc1ccc(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c(O)c1 28680917 USTDZTGXCGWMQC-QGZVFWFLSA-N 352.346 2.235 30 40 FEEB C=C(C)C[C@@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 4028915 BMKMRTFBOUSADG-QOSLBHJFSA-N 355.390 2.401 30 40 FEEB biogenic Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(C#N)cc1 6286195 MONPDZQHOGPPLF-UHFFFAOYSA-N 373.434 2.135 30 40 FEEB C=CCN1CCN([C@H](c2ccc(OC)cc2)c2nnnn2C(C)(C)C)CC1 20139496 PIBLNMPQIZSVSU-GOSISDBHSA-N 370.501 2.330 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl 101316576 NCRDPORGBNIPPH-TWWIOWFMSA-N 372.899 2.347 30 40 FEEB COc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1OC 20436659 ZOKKNHZHSSFKDK-UHFFFAOYSA-N 372.425 2.365 30 40 FEEB N#CCCN(CCC#N)C(=O)COC(=O)c1sccc1-n1cccc1 22887857 OORTYWLRMUJIBD-UHFFFAOYSA-N 356.407 2.352 30 40 FEEB N#CCOc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409407535 MLXLVYQIDSYCAK-KUDNYVPYSA-N 355.781 2.383 30 40 FEEB COc1ccccc1C/N=C\[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408528388 BDBRPWZETMBLCM-OFNOZLENSA-N 365.389 2.474 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2F)C1=O 408535873 OWDRSMGYNWVZEM-LLVKDONJSA-N 355.325 2.436 30 40 FEEB C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1 7018817 ICTRXFNTLTUTGI-UZLBHIALSA-N 355.438 2.403 30 40 FEEB CN(CCC#N)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 19074833 VQXLJXQTFCBPAO-UKTHLTGXSA-N 361.448 2.322 30 40 FEEB O=[N+]([O-])c1cc(/C=N\NC(=S)N[C@@H]2CN3CCC2CC3)ccc1Cl 33615406 QAEPWEWYYUOSQG-RSQQOUAVSA-N 367.862 2.140 30 40 FEEB N#C[C@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 618256030 DKSSVUKCULUNJL-HUUCEWRRSA-N 374.360 2.396 30 40 FEEB N#C[C@@H]1C(=O)N=C(N2CCCCC2)NC12CCN(Cc1ccccc1)CC2 14608382 VLRWFULUIXWNFH-GOSISDBHSA-N 365.481 2.133 30 40 FEEB O=[N+]([O-])c1cccc(/C=N/Nc2ccc3nnc(C(F)(F)F)n3n2)c1O 36024539 DPXGUHGQKDAQQN-UBKPWBPPSA-N 367.247 2.203 30 40 FEEB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 4487608 CUBRZTDOLHZVHX-CQSZACIVSA-N 369.421 2.363 30 40 FEEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)c2ccc3c(C)nn(C)c3n2)s1 95461531 NDVMQJLEKMFFLO-UHFFFAOYSA-N 365.440 2.044 30 40 FEEB C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(CC)C2=O)cc1OC 409008222 WSCUNKFMHRTSRZ-WQLSENKSSA-N 350.827 2.438 30 40 FEEB CCCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 57683817 BNUGMRQHLFSSKZ-MRXNPFEDSA-N 366.508 2.217 30 40 FEEB C=CCn1cc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)c(C)n1 12121784 BJEPLADIBVUNNR-UHFFFAOYSA-N 362.437 2.493 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)cc1 16741080 UKRUUMFKDDBCSG-QLXQBBHQSA-N 368.480 2.097 30 40 FEEB C#CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 32678813 NLOGQOIQURYYAM-MRXNPFEDSA-N 351.431 2.320 30 40 FEEB N=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)N[N+](=O)[O-] 2190223 NACCBCCUGNEWTP-GIDUJCDVSA-N 352.694 2.148 30 40 FEEB C=CCn1c(Cc2csc(NC(=O)c3cnccn3)n2)n[nH]c1=S 12823670 GWSQUDIUXQHCHT-UHFFFAOYSA-N 359.440 2.216 30 40 FEEB COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)c1 4095382 ZTYPLRMTVGVVCY-QGZVFWFLSA-N 353.374 2.266 30 40 FEEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)CCc1nccs1 65763621 RYJKYAGBDFSLNE-UHFFFAOYSA-N 354.409 2.208 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 5442995 GTVQPKCWCMUUMC-MPOGACDISA-N 366.508 2.330 30 40 FEEB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 96000130 YQCKVAOLPNGHOM-MRXNPFEDSA-N 370.428 2.365 30 40 FEEB COC(=O)C1=C(C(C)=O)[C@H](c2cccc(Cl)c2)c2c(nc(C)[nH]c2=O)O1 66089414 OZGXQIIHOSBTKA-ZDUSSCGKSA-N 374.780 2.272 30 40 FEEB C[C@@H]1CN(Cc2ccccc2)CCCN1/C(O)=N/CCc1ccn(C)n1 329514585 LXRSWUKYBQSYFS-QGZVFWFLSA-N 355.486 2.473 30 40 FEEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 95915220 KRUNUBNEDARZSE-BHQQRDBZSA-N 374.434 2.222 30 40 FEEB CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@H]2c1cccc(O)c1 40267325 CKYQRZCNQKXDIK-INIZCTEOSA-N 352.394 2.346 30 40 FEEB CCOc1cc(C#N)ccc1OCC(=O)OCc1ccc(C(N)=O)cc1 17731928 DFKDTDHFNSHMSL-UHFFFAOYSA-N 354.362 2.178 30 40 FEEB CCOC(=O)[C@@]1(CCC(C)C)C[C@](C)(C(=O)C[n+]2ccccc2)OC1=O 1743547 CDQRNCFTFIEAEK-WOJBJXKFSA-N 362.446 2.235 30 40 FEEB CCN(CC)C(=O)CN(C)C(=O)CCCOc1ccc(C#N)cc1OC 36397799 JOHQPAHBPFFDOO-UHFFFAOYSA-N 361.442 2.053 30 40 FEEB COc1ccc(/C(N)=N/OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 8986229 LVXBIEGTBTYVFZ-UHFFFAOYSA-N 359.338 2.398 30 40 FEEB Cc1ccnc2nc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)nn12 40051048 KGBZECBIROLNOU-UHFFFAOYSA-N 354.373 2.480 30 40 FEEB COc1ccc(CNC2=C(NC(C)=O)C(=O)c3ccccc3C2=O)cc1 20309842 PGONJRZDVLPWET-UHFFFAOYSA-N 350.374 2.212 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1OC 100199946 WMVSNTSUKSHDGJ-NCUUVHBZSA-N 352.390 2.091 30 40 FEEB COc1ccccc1OCCN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 58245191 YOAUTNDUKKNFKR-FQEVSTJZSA-N 365.389 2.413 30 40 FEEB N#Cc1ccccc1CSCCNC(=O)Cn1nnc2ccccc21 12762439 UWQWYOHTVMPAKW-UHFFFAOYSA-N 351.435 2.353 30 40 FEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1OC 409039708 DBFZRXRNUCEQDY-PKKPIOHMSA-N 366.417 2.481 30 40 FEEB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c1C 8719304 FNEMCEQCLAKEEU-LBPRGKRZSA-N 369.377 2.474 30 40 FEEB COC(=O)c1ccc(/C=N/n2c(-n3nc(C)cc3C)n[nH]c2=S)cc1 7757212 PZKVPJCKVGZIIF-RQZCQDPDSA-N 356.411 2.412 30 40 FEEB C=CCN(Cc1ccc(Cl)s1)C(=O)CN(C)CC(=O)NC(C)C 7794879 VXRXXPZRMZDBQR-UHFFFAOYSA-N 357.907 2.373 30 40 FEEB C#CCN(CC#C)CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 72305362 JXXDYMMLRPFERF-CYBMUJFWSA-N 358.463 2.166 30 40 FEEB C[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 95398182 UJHKABPEYCKWES-GXTWGEPZSA-N 353.875 2.459 30 40 FEEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3cccc(O)c3)C(=O)NC2=S)cc1 408758452 KDWTVLPVZPBSCU-RPJLVFAOSA-N 353.403 2.467 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccncc1 6812672 RYCWTTULHGURQU-UYTDBDHRSA-N 355.394 2.048 30 40 FEEB Cc1ccc(-n2nnnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1C 15522080 GOCXCXCDFYYTPT-QGZVFWFLSA-N 358.471 2.426 30 40 FEEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 5445573 MNLIPMDYLIJHCT-KRWDZBQOSA-N 367.357 2.144 30 40 FEEB Nc1nc(N2CCOCC2)nc2c1[C@@H](c1ccco1)C1=C(CCCC1=O)N2 20673796 TUQMAFRHFTYWNU-HNNXBMFYSA-N 367.409 2.053 30 40 FEEB N#Cc1ncn(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 14144182 TZFMLRSHQQNXGR-UHFFFAOYSA-N 364.340 2.180 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccnc1 5445158 XROCGWXRWNIVLZ-SELCWUDQSA-N 365.433 2.455 30 40 FEEB C[C@@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1C#N 8282015 PKAGWJSLCPJNMI-SJKOYZFVSA-N 352.346 2.268 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 3446781 IFTLPUOCJUNKID-UHFFFAOYSA-N 367.405 2.421 30 40 FEEB NC(N)=N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 59399022 FTEKWCIRAUPTCC-DJKKODMXSA-N 361.199 2.276 30 40 FEEB C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 12983859 DLPLSLMZAFTSMY-UHFFFAOYSA-N 362.476 2.411 30 40 FEEB Cn1ncc([C@H]2[C@@H]3C(=O)CC(C)(C)C[C@H]3O[C@@H](N)[C@H]2C#N)c1C(F)(F)F 408717940 WNANDJIMTDRPRE-VCKDSHSUSA-N 370.375 2.351 30 40 FEEB CN(CC(=O)Nc1ccccc1C#N)S(=O)(=O)/C=C/c1ccccc1 9501152 QFMYYAKZIBQQRP-VAWYXSNFSA-N 355.419 2.429 30 40 FEEB Cc1cccc(C(C)C)c1NC(=O)CO/N=C(/N)CN1CCSCC1 95945054 NUYWNNBSBNAELV-UHFFFAOYSA-N 364.515 2.395 30 40 FEEB C=CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)CC)s2)c1 225837842 UJLLHGSPWVZKFA-UHFFFAOYSA-N 368.440 2.252 30 40 FEEB Cc1noc([C@@]23CCN(C)C[C@@H]2CN(c2ccc(Cl)c(C#N)n2)C3)n1 685940619 QBCOKTLGRBXZEA-SJKOYZFVSA-N 358.833 2.008 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 16741064 GRNAJNAVFGVJJQ-QDASYUEBSA-N 366.508 2.126 30 40 FEEB N#Cc1cccnc1N1C[C@H]2CN(c3ncc(Br)cn3)C[C@H]2C1 2086861240 XQELBLILMCCFDU-BETUJISGSA-N 371.242 2.078 30 40 FEEB Cc1ccc(CN2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101302018 FCXXMGFSPXNMQU-NHYXNVPJSA-N 366.508 2.248 30 40 FEEB CC1CCN(C(=O)[C@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 23258295 TZAKIDANAUDNMU-SFHVURJKSA-N 354.498 2.323 30 40 FEEB O=C1Oc2ccccc2C(=O)/C1=C\NC(=S)NCCc1ccccc1 104301261 BUGUKQMPICETQB-NTCAYCPXSA-N 352.415 2.379 30 40 FEEB Cc1cccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101312414 LUVYUNKFNBXUDW-BKJYESAMSA-N 350.465 2.006 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 101299335 XXBHLGZVICJEFR-DDGKQPTKSA-N 358.872 2.351 30 40 FEEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 58201766 OXOKUCOEXLEPIX-SFHVURJKSA-N 363.333 2.168 30 40 FEEB COC(=O)c1cc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1OC 18060216 PEWCIQVGMINQQO-ZDUSSCGKSA-N 368.389 2.437 30 40 FEEB O=C1C(Br)=C[C@H]2[C@H]1[C@H]1C=C[C@]2(Br)C12OCCO2 4127766 CWLJXBQYHGTEDC-YRCORFKGSA-N 362.017 2.157 30 40 FEEB COc1ccc2c(c1)N(C)/C(=C1\C(=O)SC(=S)N1CC(=O)O)S2 35190351 KHDIKGLSURNPSM-QXMHVHEDSA-N 368.461 2.351 30 40 FEEB C=CCN1CCC(NC(=O)[C@H](C)n2cc(COc3ccccc3)nn2)CC1 257173074 CBISFCXMMQQZGH-INIZCTEOSA-N 369.469 2.185 30 40 FEEB CC(C)(C)OC(=O)N1CCc2c(sc(NS(C)(=O)=O)c2C#N)C1 1252635227 LUBIBPGYTHLFFZ-UHFFFAOYSA-N 357.457 2.284 30 40 FEEB CCNC(=S)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 6205738 QDIADQSXJSZTNC-FZSIALSZSA-N 350.227 2.275 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccc(OC)c(OC)c2)cc1 103515374 IWKKMFTVVLDWLE-HVESIFNPSA-N 369.373 2.422 30 40 FEEB N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCOc3ccccc32)cc1 40131097 NEYRRJZQCLCDTC-KRWDZBQOSA-N 370.430 2.113 30 40 FEEB C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCCCC2)nc1 31507096 JDZGARGNRLLQLW-CQSZACIVSA-N 374.441 2.019 30 40 FEEB CS/C(=N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O 100930598 VWYLWXZKYRNENR-YPOGWSRFSA-N 360.395 2.186 30 40 FEEB CC/C(=N\c1cccc(C(F)(F)F)c1)c1c(O)n(C)c(=O)n(C)c1=O 102442961 OOIOAUBEVSSRGX-RGVLZGJSSA-N 355.316 2.339 30 40 FEEB N#Cc1ccc(OCC[C@H]2CO[C@H]3CN(Cc4ccccn4)C[C@@H]23)nc1 306141578 WAXCGYAAXZUOOR-WDSOQIARSA-N 350.422 2.264 30 40 FEEB COc1cc(C(=O)O)cc(NS(=O)(=O)c2ccc(C#N)cc2)c1OC 72306292 XCSVXIBSZSABNJ-UHFFFAOYSA-N 362.363 2.074 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 101306196 TUPHGCOGKPLHKJ-GGNAOWBESA-N 370.471 2.473 30 40 FEEB N#Cc1ccc(N2CCCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 56061061 GGBDAFBJTFSVPW-UHFFFAOYSA-N 366.446 2.331 30 40 FEEB Cc1nc(C#N)c(N2CCN(C(=O)CN(c3ccccc3)C(C)C)CC2)o1 58218301 YUIZFLKRTZLRHY-UHFFFAOYSA-N 367.453 2.418 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 5341941 CEACFUDOXMKWEQ-OVJMFRMASA-N 356.444 2.227 30 40 FEEB C=CCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 14120505 NKPJXNPBDLLUOV-CSKARUKUSA-N 352.456 2.087 30 40 FEEB CCc1cccc(CC)c1N1/C(=N/C(C)=O)S[C@@H]2CS(=O)(=O)C[C@H]21 6658499 CPRPPRMLCKNNJE-WTIYMYMHSA-N 366.508 2.433 30 40 FEEB C=CCNc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1 5785820 IZXCJCPLNBQQMD-UHFFFAOYSA-N 362.436 2.442 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@]1(C=O)NC(=O)OC(C)(C)C 218670592 JECBMPMDVUMSFF-CPUCHLNUSA-N 371.430 2.189 30 40 FEEB COc1cc(/C=C2\C(=O)ON=C2C)cc(I)c1O 59109315 WTLZLSNRKMSWLU-BAQGIRSFSA-N 359.119 2.322 30 40 FEEB Cc1ccccc1N1/C(=N\C(=O)C(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 101312141 YWZWGSAJEGQBPX-BKJYESAMSA-N 352.481 2.252 30 40 FEEB C=C1C(=O)O[C@@H]2[C@H](OC(=O)/C(C)=C\C)/C(C)=C\C(=O)/C=C(\C)C[C@H](O)[C@@H]12 100061968 SCJIZBIZKYTHRQ-GJRMTMLFSA-N 360.406 2.189 30 40 FEEB biogenic,in-vitro C#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc1 100765443 UCSBWPYPTMNDQQ-ROUUACIJSA-N 351.450 2.447 30 40 FEEB Cc1ccc(S(=O)(=O)Nc2ncn(-c3ccc(C#N)cc3)n2)c(F)c1 95431429 CUXWLHXDTJYLOF-UHFFFAOYSA-N 357.370 2.387 30 40 FEEB C#CCN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 408916789 HKXQVQOUBYUQTF-PTNGSMBKSA-N 373.390 2.101 30 40 FEEB C[C@H](c1ccccc1Cl)N1CCN(CCC(=O)N(CC#N)CC#N)CC1 58134911 PLROEYHQBCDVJR-MRXNPFEDSA-N 373.888 2.284 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 409138818 IMXLYSHRHMEZKA-WEVVVXLNSA-N 368.143 2.142 30 40 FEEB N#Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(F)c1 10864439 OBYMFFXSADMXBI-IBGZPJMESA-N 351.337 2.427 30 40 FEEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242688293 VMZGUXZAYLUGGS-OUCADQQQSA-N 372.240 2.033 30 40 FEEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3c3nccc(C(F)(F)F)n3)C2)nc1 1889084234 OPLSBLPRMMXRKO-CHWSQXEVSA-N 360.343 2.477 30 40 FEEB N#Cc1nc(I)ccc1I 12359403 JUHZELURVFSDST-UHFFFAOYSA-N 355.904 2.162 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)cn23)n(C)c1=O 12374093 BHIBRCVTOZSPDD-UHFFFAOYSA-N 363.421 2.332 30 40 FEEB Cc1oc(NC(=O)CSc2nnnn2-c2ccccc2)c(C#N)c1C 8334983 MMTGINUIWVMUSL-UHFFFAOYSA-N 354.395 2.475 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccn1 5576932 PWRNMOLZGYKWMP-HVESIFNPSA-N 351.406 2.065 30 40 FEEB Cc1ccc(S(=O)(=O)N/N=C/c2cc3cc(C)ccc3[nH]c2=O)cc1 9290757 NJLVSNXNAUEAQU-YBFXNURJSA-N 355.419 2.457 30 40 FEEB C#CCN(CC#CC)CC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 72305200 KQGYJFBOJOZKJM-HDICACEKSA-N 353.466 2.197 30 40 FEEB N/C(=N\N=C\c1c(O)ccc2ccccc12)c1nc2ccccc2[n+]([O-])c1N 35183067 IKOFIFZATPWVQX-FOKLQQMPSA-N 372.388 2.049 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218005676 HGKCKJHNKGKERB-WFASDCNBSA-N 359.831 2.348 30 40 FEEB CCc1cnc(N2CC[C@@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)nc1 96219264 SWRFNEYPUJDLLF-QFBILLFUSA-N 350.426 2.156 30 40 FEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(CN2CCOCC2)cs1 21128456 RMMHPDIIPJQYHY-ZDUSSCGKSA-N 372.450 2.253 30 40 FEEB C(=N/Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1)\c1ccsc1 59514384 IVRWGAYAMHIDPA-LDADJPATSA-N 373.486 2.206 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 101312012 SSCTXESVJNZKCE-BKJYESAMSA-N 352.481 2.397 30 40 FEEB C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)OCC)nnc12 58217946 ITTDJTZCSKVRQX-LLVKDONJSA-N 358.423 2.274 30 40 FEEB N#Cc1ccccc1OCC(=O)NCc1ccc(CN2CCOCC2)cc1 12809831 RNYNVUUTPBFSHS-UHFFFAOYSA-N 365.433 2.086 30 40 FEEB Cc1nn(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c(=O)c(C#N)c1C 12886009 QCUFAFSRFHQWDA-GOSISDBHSA-N 356.401 2.384 30 40 FEEB N#Cc1ccc(CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 21412113 SSLSSVDIEBULKQ-UHFFFAOYSA-N 358.449 2.401 30 40 FEEB COc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OCC#N 6490546 SJXYOPYVEROQNH-POHAHGRESA-N 368.212 2.499 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 14190669 VUYUAHDRXCGSHJ-UHFFFAOYSA-N 362.480 2.143 30 40 FEEB O=C(O)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 4739409 IDJARYAGKBNGHJ-LEBHLANCSA-N 367.386 2.151 30 40 FEEB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N/N=C/c1ccco1 5781247 BEYSNWIWCOJQND-LFIBNONCSA-N 364.383 2.418 30 40 FEEB CC(=O)c1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1 6809462 JNVKRBXWBYFAAF-UHFFFAOYSA-N 356.341 2.073 30 40 FEEB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCCNc2ncccc2C#N)C1 76083102 UXWRWKCOKJBZEW-DZGCQCFKSA-N 373.457 2.175 30 40 FEEB CCCN(CCC)C(=O)CCC(=O)NC1(C#N)CCC2(CC1)OCCO2 68419432 ZIGBLXVPUVANTC-UHFFFAOYSA-N 365.474 2.111 30 40 FEEB C=CCN(Cc1nnn(C(C)(C)C)n1)S(=O)(=O)c1cccc(Cl)c1 655662563 GNGQOEPIGYIPEQ-UHFFFAOYSA-N 369.878 2.458 30 40 FEEB C=CCOc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1OC 105740613 UCVRWRCTOZLFDW-QYYRWZOBSA-N 373.474 2.234 30 40 FEEB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1C 22096256 BCAPHKHAHXVVBM-UHFFFAOYSA-N 351.410 2.063 30 40 FEEB O=C1C=CC=C/C1=C1\N/C(=C2\C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 100504309 FMSOAWSKCWYLBB-IKBKFCNISA-N 373.368 2.112 30 40 FEEB in-vitro N#Cc1ccnc(N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c1 30940450 QANSZLMRNMXOQH-UHFFFAOYSA-N 364.405 2.077 30 40 FEEB N#Cc1c(N)nc(N2CCOCC2)c(C#N)c1[C@@H](C#N)Cc1ccccc1 20268299 YEFLHKCPGDIVNY-OAHLLOKOSA-N 358.405 2.094 30 40 FEEB O=C(O)COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 102044884 PXKQQCIOVIWVST-CQSZACIVSA-N 355.350 2.143 30 40 FEEB CCn1cc(C#N)c(=O)n(CC(=O)c2ccc3c(c2)-c2ccccc2C3)c1=O 10851079 WYUXHLNREPAOHD-UHFFFAOYSA-N 371.396 2.356 30 40 FEEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1 6662047 URUKCVFNTVKTPL-LSDHHAIUSA-N 352.481 2.346 30 40 FEEB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1/C=N/c1cccc([N+](=O)[O-])c1 4738564 RLTRLTDECDOHQO-FRSZACSASA-N 370.296 2.335 30 40 FEEB N#Cc1ccc(N2C[C@H]3CCN(c4ncc(Br)cn4)[C@H]3C2)nc1 1889089530 ZUMRWTUUSTXSEE-OCCSQVGLSA-N 371.242 2.221 30 40 FEEB COc1ccccc1N1C(=O)C(=O)/C(=C(\C)N)[C@@H]1c1cccc([N+](=O)[O-])c1 100252645 HBGVJXMYBHBCAN-YTBHAWNYSA-N 367.361 2.493 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 101312007 SSCTXESVJNZKCE-OVZRNVPMSA-N 352.481 2.397 30 40 FEEB Cc1cnc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)nc1 1775970784 QZDHNQCUDFGMBO-MRXNPFEDSA-N 372.450 2.136 30 40 FEEB CCOc1ccc(NC(=O)/C(Cc2nc3ccccc3[nH]c2=O)=N\O)cc1 17214474 SIFRMNSUCYOQPL-QJOMJCCJSA-N 366.377 2.333 30 40 FEEB Cc1ncnc(OC[C@]23CCC[C@@H]2CN(c2nccc(C#N)n2)C3)c1C 1888864165 DWKVNOOOYRDOOW-DNVCBOLYSA-N 350.426 2.441 30 40 FEEB C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C(/N)c1cccnc1N1CCCCC1 58406611 WERMIBOJTGBQGF-RDJZCZTQSA-N 373.501 2.404 30 40 FEEB CC(C)(C)NC(=O)NC(=O)C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 3362618 LZFNGRPKHFGEDR-UHFFFAOYSA-O 371.417 2.097 30 40 FEEB N#Cc1ccc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)nc1 1775972568 LGGUZJCBVQXVLT-UHFFFAOYSA-N 374.452 2.375 30 40 FEEB CC1(C)OB(c2ccc(C(=O)NCCN3CCCCC3)cc2)OC1(C)C 2239473237 RNIPDXRHMHPSJP-UHFFFAOYSA-N 358.291 2.202 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@H]2c2ccccc2)cc1 103581413 JUFANHLDTUTARZ-HVESIFNPSA-N 353.374 2.109 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccncc2)c1 306124404 BOUZFVFXOAIKFS-LJQANCHMSA-N 363.417 2.401 30 40 FEEB C=CCNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 32999828 HPHXQQFMILTCMS-UHFFFAOYSA-N 370.780 2.329 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccco2)[C@H]1c1ccco1 20218973 SUCKIQJCHWXLRU-XNWKIXORSA-N 356.378 2.412 30 40 FEEB C=CCN(CC=C)CC1=C(C(=O)OC)[C@H](c2ccc(C)cc2)NC(=O)N1 51318445 FWFVKFZGUBEKDF-SFHVURJKSA-N 355.438 2.450 30 40 FEEB C[C@@H]1CN(CC2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 58227389 KXKVYXKHFKIGQI-IAGOWNOFSA-N 370.497 2.318 30 40 FEEB COCc1nn2c(N)c(C#N)nnc2c1-c1ccc(Br)cc1 20636154 VPGPPGXSWXQIJM-UHFFFAOYSA-N 359.187 2.154 30 40 FEEB N#Cc1cccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1F 513230469 CLOBJHHYUCOWES-LJQANCHMSA-N 351.337 2.427 30 40 FEEB N#Cc1cc2c(nc1N1CC(Cn3nc(C4CC4)ccc3=O)C1)CCCC2 585602947 RYJHXKJPVORJKA-UHFFFAOYSA-N 361.449 2.403 30 40 FEEB O=C1C(=O)N(CCO)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccccc1 102797580 DRBCHVABALFKMA-CFBLSMTOSA-N 368.345 2.009 30 40 FEEB C/N=C1\S[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N1C 2727693 CFINSZKPQOWFIU-ZSNVJIKNSA-N 356.245 2.337 30 40 FEEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)C1CC1 5206126 QOXIKMJPQDGVJB-OVJMFRMASA-N 370.883 2.351 30 40 FEEB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(C#N)c2)cc1 7734790 PUQBVYJXVWWEPF-UHFFFAOYSA-N 373.434 2.264 30 40 FEEB C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 72310622 DZADLXCUVOWGHR-RYUDHWBXSA-N 360.845 2.237 30 40 FEEB O=S(=O)(N=C1NCN(CCC2=CCCCC2)CN1)c1ccc(F)cc1 30874939 BYDYXXNPXSXXLQ-UHFFFAOYSA-N 366.462 2.171 30 40 FEEB C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1 57029076 BABMISZUTHJRJB-UHFFFAOYSA-N 362.373 2.318 30 40 FEEB N#Cc1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 5111657 WGQPJNMJBARZFD-UHFFFAOYSA-N 358.419 2.158 30 40 FEEB NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1c1cccc(Cl)c1 5091821 YEUPHLRFYXXABW-UHFFFAOYSA-N 352.781 2.293 30 40 FEEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)c1OC 40283342 AFXBYDQDMFEECF-INIZCTEOSA-N 368.393 2.021 30 40 FEEB Cc1cccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c1 8233480 VKYNCGUHMFPMJO-AWEZNQCLSA-N 365.389 2.167 30 40 FEEB Cc1ccccc1N1/C(=N\C(=O)C(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 101312137 YWZWGSAJEGQBPX-OVZRNVPMSA-N 352.481 2.252 30 40 FEEB C=CCO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 48368976 SPQWJTAIDNWYLI-HNNXBMFYSA-N 366.483 2.069 30 40 FEEB N#Cc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 12914479 NYGRZEFRRNJUNG-UHFFFAOYSA-N 366.396 2.094 30 40 FEEB COc1cccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 7058822 XXYKRDCZAKCAPE-UHFFFAOYSA-N 357.435 2.078 30 40 FEEB Cc1ccc(-n2nnnc2SCC(=O)N[C@@](C)(C#N)C(C)C)cc1C 15522079 GOCXCXCDFYYTPT-KRWDZBQOSA-N 358.471 2.426 30 40 FEEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccco1 20219550 XOQLXONWUNZQEO-INIZCTEOSA-N 355.394 2.205 30 40 FEEB O=C(O)COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409353333 JFBSCICYJDMTAN-UHFFFAOYSA-N 373.752 2.101 30 40 FEEB COc1nc(N/N=C/c2cccc([N+](=O)[O-])c2)nc(N2CCCCC2)n1 408730739 UWWNLIVCLVFDBX-GZTJUZNOSA-N 357.374 2.225 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225670780 AAMZJKGABLTRPA-JJRVBVJISA-N 371.430 2.189 30 40 FEEB Cn1c(Oc2ccccc2/N=C/c2ccc(O)cc2)cc(=O)n(C)c1=O 2273301 UPOYYGHSYRRBSO-UDWIEESQSA-N 351.362 2.333 30 40 FEEB COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1O 5617740 WFJGTPBVTZRBGH-LICLKQGHSA-N 350.396 2.030 30 40 FEEB CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C)COC 101451779 SOKFVFDEIKLZEA-CVEARBPZSA-N 371.522 2.029 30 40 FEEB N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1cccc([N+](=O)[O-])c1 6622497 UFPJKNKXVBIGBP-PJMHOZITSA-N 373.756 2.293 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@H](C)c1ccccc1 11999721 JEFCIQGMPRZLGF-KOLODPJJSA-N 352.481 2.255 30 40 FEEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(O)c(O)c1O)CCCC3 3233795 CJDUKHNFJHIOFF-FBCYGCLPSA-N 357.391 2.336 30 40 FEEB C=CCn1c(S[C@H](C(C)=O)C(=O)NC)nc2sc(CC)cc2c1=O 3268782 YENKBIKNOOLYST-GFCCVEGCSA-N 365.480 2.002 30 40 FEEB COc1cc(OC)c(OC)cc1/C=N/NS(=O)(=O)c1ccccc1 3526607 CVLWVERMWGDTEQ-GZTJUZNOSA-N 350.396 2.025 30 40 FEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 409180374 RDBCYSCLXKOUGI-DANMIINGSA-N 352.390 2.091 30 40 FEEB N#Cc1cc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)ccn1 286055397 CFZYLWNGZPHSHM-SFHVURJKSA-N 362.481 2.387 30 40 FEEB CNC(=O)NC(=O)[C@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 56153506 SGTHJEPSYZCQCK-ZDUSSCGKSA-N 352.394 2.393 30 40 FEEB CNC(=O)[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1(C#N)CCCC1 37197426 VRCQYZRGQLLSFT-MRXNPFEDSA-N 362.861 2.011 30 40 FEEB N#Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)cc1 102683950 KBSZIIDSUPTJLQ-IPMKNSEASA-N 358.401 2.094 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C\c1ccc(Br)o1 100237610 KWYWMVFAEKHVOI-LMBAPCFESA-N 361.195 2.429 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 101317393 ZRVIAQNUNWXELW-AZNAFKMUSA-N 358.872 2.351 30 40 FEEB COc1cccc([C@@H](CNS(=O)(=O)c2cccc(C#N)c2)N(C)C)c1 10091263 SDTJMJUGFPTTPO-GOSISDBHSA-N 359.451 2.148 30 40 FEEB N#Cc1ccc(N2CCN(C(=O)CCCOc3ccccc3)CC2)nc1 58174389 HIRPAMPWWZQKFX-UHFFFAOYSA-N 350.422 2.461 30 40 FEEB Cc1cc(=O)c(C(=O)NCC#Cc2ccccc2)nn1-c1ccccc1F 58357597 MYXQABIJQOTYSN-UHFFFAOYSA-N 361.376 2.462 30 40 FEEB COc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c(OC)c1 5012166 FGKZTRINUFJXBH-UHFFFAOYSA-N 350.378 2.297 30 40 FEEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@@H]2c1ccc([N+](=O)[O-])cc1 18199996 BTQUJTCHHCKAQW-CQSZACIVSA-N 354.370 2.427 30 40 FEEB COc1ccc(SCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 7451529 KRGPLSUYPXUARJ-KRWDZBQOSA-N 350.440 2.385 30 40 FEEB C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccnc1 573272353 CFIQKJHRGDBMTP-DNVCBOLYSA-N 362.433 2.364 30 40 FEEB CN(C)CCOc1ccc2c(c1)CC/C(=C\c1ncc([N+](=O)[O-])n1C)C2=O 1562811 OMXBYAZWEHKRHC-SDNWHVSQSA-N 370.409 2.481 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)c(OC)c1 100058636 USHYQJVTSVUMHD-ZVCFCMFFSA-N 352.390 2.235 30 40 FEEB CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 40132964 XEPXDCIQLUANRY-WMLDXEAASA-N 363.483 2.187 30 40 FEEB COc1ccc2nc(NC(=N)/N=C(\C)c3c(O)ccoc3=O)nc(C)c2c1 100121416 CHZUFHJWNGTWAL-KEBDBYFISA-N 367.365 2.461 30 40 FEEB CC(C)(C)OC(=O)N1CCC(NC(=O)COc2ccc(C#N)cc2)CC1 57173315 MPHHWRTVVGPQOY-UHFFFAOYSA-N 359.426 2.453 30 40 FEEB COc1ccccc1C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 6604411 FMGZKPQJBQJNID-FQEVSTJZSA-N 363.373 2.217 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C#N)C2=O)c1 408529685 CXKPWQGULDLUEM-HNNXBMFYSA-N 362.345 2.168 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32502837 NEVCNDVCSYIWFG-PTTFWAKNSA-N 370.471 2.473 30 40 FEEB CN(C)/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccccc1 5317230 RQBSEBLCGDGHQI-SZHLLGMXSA-N 367.365 2.243 30 40 FEEB N#CC1(C(=O)N2C[C@@H]3CN(Cc4cccs4)CCO[C@@H]3C2)CCCC1 1565555382 GLTLIZDTPJZOQB-DOTOQJQBSA-N 359.495 2.491 30 40 FEEB N#Cc1cc2c(nc1N1C[C@H]3CN(c4ncccc4F)C[C@@H]3C1)CCOC2 2086861293 BQTUEGRDLZBPQV-HOTGVXAUSA-N 365.412 2.133 30 40 FEEB CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)c2c(n[nH]c2O)C[C@]1(C)O 106823166 WCUPRTCWMOCUQC-IIMJZQEZSA-N 369.421 2.384 30 40 FEEB COc1ccc(CN/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 20196108 SMKZMPKOXUMSDX-DJKKODMXSA-N 359.338 2.464 30 40 FEEB COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)c1 4095383 ZTYPLRMTVGVVCY-KRWDZBQOSA-N 353.374 2.266 30 40 FEEB N#CCCN(CCC#N)C(=O)COC(=O)COc1cccc2ccccc12 22556209 LKRVYCKTTJNMAW-UHFFFAOYSA-N 365.389 2.418 30 40 FEEB C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 575424733 WHJHBVAQUAANAY-INIZCTEOSA-N 357.497 2.057 30 40 FEEB CN1CCN(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)CC1 19891797 ANEYDMMUSYLRHH-INIZCTEOSA-N 351.450 2.044 30 40 FEEB COC1(CC(=O)N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CCC1 1614936323 JSDQLDQUEXJCDX-HXUWFJFHSA-N 367.449 2.473 30 40 FEEB CC(=O)N1CCCc2ccc(NC(=O)C(=O)Nc3ccccc3C#N)cc21 5252496 KCCLFZYBPSYHCS-UHFFFAOYSA-N 362.389 2.435 30 40 FEEB C[C@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1C#N 8282014 PKAGWJSLCPJNMI-YVEFUNNKSA-N 352.346 2.268 30 40 FEEB N#CC1(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CCCC1 22779547 KBXSBHGUCRYTFO-UHFFFAOYSA-N 360.889 2.410 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CN1CCC[C@H](C)C1 55403503 CFCUVQQJLWWLBR-UONOGXRCSA-N 358.486 2.033 30 40 FEEB Cc1cccc(COc2ccc(/C=N/N=C(\N)c3nonc3N)cc2)c1 4677337 RTODHHYBNYMQMI-UFFVCSGVSA-N 350.382 2.279 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(C(=O)OCC)cc2)C1=O 9088668 ZFAIPKGYIWNXPX-CCEZHUSRSA-N 371.393 2.204 30 40 FEEB CCc1n[nH]c([C@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)n1 95430529 UVUHYMMXMOAQKV-QGZVFWFLSA-N 354.458 2.290 30 40 FEEB Cn1cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 25310699 GTVGBHUSKCTGRU-UHFFFAOYSA-N 366.381 2.395 30 40 FEEB COCC(=O)Nc1nc2ccc(N/C=C3\C(=O)C=C(C)OC3=O)cc2s1 1547200848 KVOVXPRUILVZMG-YRNVUSSQSA-N 373.390 2.207 30 40 FEEB COc1cccc2cc(C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)oc12 225798101 ZCPFEZWUWMLCKY-CYBMUJFWSA-N 364.361 2.397 30 40 FEEB C#CCNC(=O)CSc1nnc(N2CCCCC2)n1-c1ccccc1 7103452 PAZGLWHHFMFHOY-UHFFFAOYSA-N 355.467 2.099 30 40 FEEB CC(C)(C)c1cn2nc(N3CCN(c4nccc(C#N)n4)CC3)ccc2n1 1888888420 YRZYNFSSKJXOHU-UHFFFAOYSA-N 362.441 2.015 30 40 FEEB COC(CN(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21)OC 59478070 CBRPEKGZJWTLTP-MGTDTEAMSA-N 367.486 2.064 30 40 FEEB biogenic C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC)cc1)CC(=O)N2 4944384 FWTVWMKXHJNMQT-ZDUSSCGKSA-N 355.419 2.368 30 40 FEEB Cc1ccc(OCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1C 42307792 KGTXLLHWLZDCGV-UHFFFAOYSA-N 358.419 2.200 30 40 FEEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NC(N)=O 3351568 UBBNVYLHCSTHDD-UHFFFAOYSA-N 355.375 2.061 30 40 FEEB COc1ccc(/C=N/N(CCC#N)C2=NS(=O)(=O)c3ccccc32)cc1 3669449 NDUWPAYDFFMMKA-DEDYPNTBSA-N 368.418 2.394 30 40 FEEB C[C@H]1Oc2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2NC1=O 619461505 NGGJRPNKFWRKBP-LLVKDONJSA-N 357.391 2.273 30 40 FEEB C/C(=N\Nc1cc(N2CCOCC2)nc(C)n1)c1ccc([N+](=O)[O-])cc1 5003250 JOMPVJDSOSQFHH-UDWIEESQSA-N 356.386 2.366 30 40 FEEB COC(=O)c1ccc(NC(=S)N/N=C2/C(=O)Nc3ccccc32)cc1 5529626 UJCFUZSTTKCAFO-UHFFFAOYSA-N 354.391 2.116 30 40 FEEB Cc1c(NN=C2C(=O)CC(C)(C)CC2=O)c(=O)n(-c2ccccc2)n1C 100399813 SOENRPVWQOGWIK-UHFFFAOYSA-N 354.410 2.211 30 40 FEEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccn1 4858868 WOIMAABZRAIGCP-AWEZNQCLSA-N 359.455 2.217 30 40 FEEB N#Cc1ccc(NCCNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1 32911861 SCJLCQNIOGCMQX-UHFFFAOYSA-N 354.794 2.136 30 40 FEEB COc1cc(/C=N/NC(N)=S)ccc1OCc1cccc(C(=O)O)c1 59248794 GYDWRMWBGFRSDD-DJKKODMXSA-N 359.407 2.140 30 40 FEEB N#Cc1ccc(O[C@H]2CN(C(=O)C3=CCCCC3)Cc3ccnn3C2)nc1 306126206 DPPCWVHQSFGMKX-SFHVURJKSA-N 363.421 2.440 30 40 FEEB C#CCOc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1 19291462 VILSSZWJAOOYTI-HTZLVSCSSA-N 351.450 2.447 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccn2)cc1 15109808 IYEFFTIPIXBBDR-QGZVFWFLSA-N 368.389 2.051 30 40 FEEB N#Cc1cc2c(N)c(C(=O)NCCc3ccc(F)cc3)sc2nc1N 20029628 WBKIBYFIMXNQPV-UHFFFAOYSA-N 355.398 2.444 30 40 FEEB COc1ccc(/C=N/N2C[C@@]3(C)[C@H]4CC[C@]3(C)[C@@]2(C(N)=O)C4)cc1OC 100920889 LZJCLTMEUVKVBN-QKWMYONBSA-N 357.454 2.404 30 40 FEEB COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccccc2)n2ncnc2N1 102420625 CCILDWYJCKCBCC-HNNXBMFYSA-N 350.334 2.196 30 40 FEEB C=CCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c1C 3351849 CVUHEQJHYJOJLW-UHFFFAOYSA-N 354.406 2.447 30 40 FEEB aggregator N#CCc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 7821826 YCPHRAIYMQGPEM-OAQYLSRUSA-N 374.400 2.085 30 40 FEEB COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C)CC3)o2)cc1OC 8375944 STQCZRNMVQLMHB-FNORWQNLSA-N 354.410 2.486 30 40 FEEB CC(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84370652 YHXANNRFPRKQLS-ZDUSSCGKSA-N 364.452 2.222 30 40 FEEB CCN(C[C@@H](C)C#N)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 95460726 HOZQXNFBYIMFSH-LBPRGKRZSA-N 354.414 2.293 30 40 FEEB CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(C#N)c2)c1 223016016 SHPHFXIABKFNKU-UHFFFAOYSA-N 359.407 2.117 30 40 FEEB COc1ccc(N2C[C@H](/C(O)=N/c3nc([C@H]4CCCO4)n[nH]3)CC2=O)cc1 95474755 UOYYCYRLTYUMBM-BXUZGUMPSA-N 371.397 2.306 30 40 FEEB C=CCCn1cc(C(=O)N[C@H]2[C@@H]3CN(Cc4cccc(CC)c4)C[C@@H]32)nn1 1615057690 GYMZMBUTAPLIGG-RUYXUALKSA-N 365.481 2.277 30 40 FEEB COc1ccccc1CCN/C(N)=N\S(=O)(=O)c1ccc(C)c(C)c1 22625548 GCJLPPSGUBWAKG-UHFFFAOYSA-N 361.467 2.148 30 40 FEEB N#Cc1ncn(CC(=O)Nc2cccc(CSc3ccccn3)c2)n1 50247563 UEQDXUHZGBMSQW-UHFFFAOYSA-N 350.407 2.476 30 40 FEEB N#Cc1ccccc1CSCCNC(=O)c1ccc(CNC(N)=O)cc1 32738413 UCGAWBUWWGTJPV-UHFFFAOYSA-N 368.462 2.390 30 40 FEEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 101314316 UHPOVFFKKXOUGP-KRGDBVFUSA-N 370.471 2.079 30 40 FEEB CC(C)(C)OC(=O)N[C@H](C(=O)ON1C(=O)CCC1=O)C1CCCCC1 100362620 FEJGVPWBNBVXNO-AWEZNQCLSA-N 354.403 2.067 30 40 FEEB CS(=O)(=O)NCCc1ccc(C(=O)OCc2cccc(C#N)c2)cc1 17262238 DUIHDUWHGVTJDR-UHFFFAOYSA-N 358.419 2.007 30 40 FEEB COC(=O)c1ccc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)cc1 58202430 DJCXWPPKYRKTET-FQEVSTJZSA-N 363.373 2.312 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 5369707 JODBWCZJRQWQKS-HJPHCXOUSA-N 352.481 2.334 30 40 FEEB N#Cc1cc(F)ccc1CS(=O)(=O)N1CCO[C@@H](CC(F)(F)F)C1 595397683 WXDYMXDBJQQXSN-ZDUSSCGKSA-N 366.336 2.180 30 40 FEEB N=C(N)N/N=C(/C[C@@H]1OC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 5739377 QRDUENKISWLVKL-CPOQMQJTSA-N 353.338 2.084 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 104116089 KAFVTCGZUOSTSC-DPEHCCBOSA-N 354.318 2.313 30 40 FEEB COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc(Br)c1O 6982338 APMXMHRAYCRRIF-GIDUJCDVSA-N 353.176 2.001 30 40 FEEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 25117567 OGBRONYQYPWDNJ-UHFFFAOYSA-N 362.349 2.319 30 40 FEEB CCOc1ccc(N2/C(=N\C(=O)CC)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 32505328 GBDZUTUALMWVNB-FZJVYVCZSA-N 368.480 2.097 30 40 FEEB COc1cc(OC(C)C)cc2c1C(=O)C(C(O)(O)C(F)(F)F)=CC2=O 1611543 PGWINFCFUPSWPT-UHFFFAOYSA-N 360.284 2.031 30 40 FEEB N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 46849658 CWYPPCJGESKVFO-FQEVSTJZSA-N 363.417 2.437 30 40 FEEB Cc1oc(NC(=O)CN2CCN(c3ccccc3O)CC2)c(C#N)c1C 57919498 LEOJNNGHPKJVAS-UHFFFAOYSA-N 354.410 2.234 30 40 FEEB COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)c1 13130884 NAKBBGCAAFXSHE-INIZCTEOSA-N 355.398 2.348 30 40 FEEB Cc1cc(C)n2nc(SCC(=O)N(CC#N)c3ccccc3)nc2n1 8769555 ZOIRVCFPLUQVKX-UHFFFAOYSA-N 352.423 2.390 30 40 FEEB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(CC#N)c2)[C@H](C#N)C1 75104555 ZFIVQZFBHRILKP-MRXNPFEDSA-N 354.410 2.338 30 40 FEEB CCCc1nnc(/N=C(\O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)s1 30606077 AHFLOGJWMCMWLH-LBPRGKRZSA-N 358.427 2.199 30 40 FEEB Cc1ccc2cc(C#N)c(NCCNC(=S)NC[C@@H]3CCCO3)nc2c1 35312819 GLJWTJVLJFCXFE-INIZCTEOSA-N 369.494 2.470 30 40 FEEB N#Cc1ccc(OC[C@]23COC[C@H]2CN(C(=O)c2cccs2)C3)nc1 96109115 WYHZQQCHEXDKGN-KDOFPFPSSA-N 355.419 2.182 30 40 FEEB N#CCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 5279946 QTFMGSREFAWZKH-UHFFFAOYSA-N 350.407 2.459 30 40 FEEB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 14097527 WRTMUOTXMLZTFV-UHFFFAOYSA-N 350.421 2.153 30 40 FEEB C=CCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 107797952 JWSCTQGPRZQYDC-UHFFFAOYSA-N 374.462 2.334 30 40 FEEB CCOCCCn1cc(C(=O)c2cc(OC)ccc2O)cc(C#N)c1=O 3250975 ZBGYSZYOXDPXTK-UHFFFAOYSA-N 356.378 2.092 30 40 FEEB Cn1c([C@@H](C#N)C(=O)NCCCOCc2ccco2)nc2ccccc21 95455114 OPXBMZIPDROGJW-OAHLLOKOSA-N 352.394 2.497 30 40 FEEB C=CCNC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 524729994 QMZNDVWLBZOGTP-ZDUSSCGKSA-N 359.378 2.192 30 40 FEEB biogenic CC(C)(C)OC(=O)N[C@@]1(C=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218005750 HGKCKJHNKGKERB-SWLSCSKDSA-N 359.831 2.348 30 40 FEEB C=CCOc1ccccc1CN1CCc2c(nc(N3CCCC3)[nH]c2=O)C1 12184552 NRDDGGOLLRAPSV-UHFFFAOYSA-N 366.465 2.493 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1 20229517 XTKIIBGYHMWUOC-OAHLLOKOSA-N 357.435 2.283 30 40 FEEB C[C@@H](NC(=O)COC(=O)COc1ccc(C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102240084 CBZMLGBXAGAHBT-VKZRIFJHSA-N 356.422 2.421 30 40 FEEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3COCCO3)c2)c1 32962790 CZLKRHFWFASYEQ-LJQANCHMSA-N 365.385 2.227 30 40 FEEB COc1ccccc1S(=O)(=O)N1CCCN(c2ccc(C#N)cc2)CC1 56061083 OJJWLWSIHJUDIY-UHFFFAOYSA-N 371.462 2.468 30 40 FEEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)cc1 6662045 URUKCVFNTVKTPL-GJZGRUSLSA-N 352.481 2.346 30 40 FEEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\C[C@@H]3CCCO3)NC2=O)c(C)c1 7882653 RWKQZKHKTYGNDA-ZFWWWQNUSA-N 361.467 2.399 30 40 FEEB CCCOc1ccc(-c2nc(SCC(N)=O)nc(O)c2C#N)cc1OC 7995215 GRWQOOXMPQTWRN-UHFFFAOYSA-N 374.422 2.096 30 40 FEEB C#CCOc1ccc(F)cc1NC(=O)c1ccc(CS(C)(=O)=O)o1 72295545 HLTJGZPWWIOTOM-UHFFFAOYSA-N 351.355 2.228 30 40 FEEB COc1ccccc1C/N=C\[C@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408528391 BDBRPWZETMBLCM-RANIVTSPSA-N 365.389 2.474 30 40 FEEB O=C1Oc2ccccc2C(=O)/C1=C\NCC1(N2CCOCC2)CCCCC1 1565518464 IRUHQSTVIBLQPG-SAPNQHFASA-N 370.449 2.297 30 40 FEEB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccc(CC#N)cc1 225879765 TWJSXFDPAJMPQC-UHFFFAOYSA-N 364.452 2.166 30 40 FEEB C=CCn1cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)n1 12122072 RAMXXFTWUIJXTN-UHFFFAOYSA-N 362.437 2.493 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C\N[C@@H](CC)Cc2c[nH]c3ccccc23)C1=O 101033932 AFGPOBMSOGZVCB-AOHITCTBSA-N 366.421 2.227 30 40 FEEB C[C@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1C#N 8282012 PKAGWJSLCPJNMI-SJCJKPOMSA-N 352.346 2.268 30 40 FEEB CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 6228153 APAVEHQFOVHKMH-HZSPNIEDSA-N 354.410 2.414 30 40 FEEB CCOC(=O)c1ccc(N2CCCN(c3ncccc3C#N)CC2)nc1 57147860 QSDYAVQHHZDFHC-UHFFFAOYSA-N 351.410 2.242 30 40 FEEB Cc1ccc(CN2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101301825 FDUFFMCEMHPSFI-WPIBOPBSSA-N 364.492 2.002 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(OC)cc2OC)C1=O 5625225 ADCXBCKRPDCSDX-NTCAYCPXSA-N 359.382 2.044 30 40 FEEB CCn1cc(C#N)c(=O)n(Cc2nc3ccccc3c(C)c2Cl)c1=O 71918111 SOLKCORSWDCRIM-UHFFFAOYSA-N 354.797 2.460 30 40 FEEB COC(=O)C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)cc1 48229925 INQWCTGXPRQVSK-KRWDZBQOSA-N 356.353 2.497 30 40 FEEB COc1cccc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)c1 252550894 TTZBVEJWPGRGES-SHTZXODSSA-N 352.394 2.477 30 40 FEEB CC(=NNc1nnc(SCC(=O)NC2CCCC2)[nH]1)c1ccccn1 253476408 JUGOMLOATJINEO-UHFFFAOYSA-N 359.459 2.187 30 40 FEEB O=S(=O)(N/N=C/c1ccccc1O)c1ccc(Br)cc1 2739004 XKXNTWIYYZWDMU-OQLLNIDSSA-N 355.213 2.467 30 40 FEEB N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 14042766 ZSKRTXOVUDQGMF-UHFFFAOYSA-N 362.842 2.118 30 40 FEEB C=CCN(Cc1cccs1)Cn1nc(C(=O)NC)c2ccccc2c1=O 14138037 JGYVOUKALWHLLT-UHFFFAOYSA-N 368.462 2.463 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 6935997 REKRCDSUWSPARX-CYBMUJFWSA-N 357.797 2.292 30 40 FEEB C#Cc1cccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1 95960541 WOROZVJIVJUNFH-QGZVFWFLSA-N 361.445 2.339 30 40 FEEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1OCC#N 409359869 YNJPBQZPKSJEKN-UHFFFAOYSA-N 364.361 2.285 30 40 FEEB COc1cc(/C=N\NS(=O)(=O)c2ccccc2)cc(OC)c1OC 32561925 RBKRKGPHWHICOM-BOPFTXTBSA-N 350.396 2.025 30 40 FEEB COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1OC 409404684 LRRHJIZKCSXYRV-LWWSYDQCSA-N 360.797 2.498 30 40 FEEB CN1CCc2ccc(S(=O)(=O)Nc3nn(C(C)(C)C)cc3C#N)cc21 332242888 PSHIEAFJLZGHMT-UHFFFAOYSA-N 359.455 2.303 30 40 FEEB COc1ccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)cc1 256047543 NATMOFKSMFSYGD-UHFFFAOYSA-N 374.448 2.470 30 40 FEEB CC(C)n1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 12558800 SQWNVVHTJCSZKF-DJKKODMXSA-N 374.832 2.114 30 40 FEEB COc1cc(/C=N/NC(=N)N)ccc1OCc1nc2ccccc2nc1C 16265359 MSWATMRCWKZNCW-LSHDLFTRSA-N 364.409 2.343 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 15360201 RLBYQTHGOPGGRI-HNNXBMFYSA-N 353.407 2.127 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1C 101303499 ZXSPPLMVZKJYDY-KEIDQJNISA-N 358.872 2.270 30 40 FEEB C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(OC)c(F)c2)c1 47194660 FXHCKFHOAUXMKC-UHFFFAOYSA-N 354.381 2.455 30 40 FEEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c(C(=O)O)n(C)c3ccccc23)CC1 36357424 OUIDYRAMVRUCBK-GOSISDBHSA-N 371.437 2.196 30 40 FEEB C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC=C2C(=O)CO 70664712 UAEUTSQWOUBCLN-MYMZKXAHSA-N 360.425 2.455 30 40 FEEB biogenic Cc1cccn2c(=O)c(/C=N/C[C@@H]3CCCO3)c(NC[C@H]3CCCO3)nc12 96517718 IKAITTIJOLZLNG-PYVXVDTPSA-N 370.453 2.192 30 40 FEEB N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)c(F)c1 333421570 JEEROSALESHMIS-INIZCTEOSA-N 350.397 2.471 30 40 FEEB N#Cc1c(I)cncc1I 12359460 CKTZXTXSOCLOBD-UHFFFAOYSA-N 355.904 2.162 30 40 FEEB C=C(Cl)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 16250672 AABSWBVRPXVTTM-UHFFFAOYSA-N 372.874 2.446 30 40 FEEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)N1CCC[C@@H](O)C1 19399817 CDWVQXMXBFLTFX-HXUWFJFHSA-N 372.428 2.264 30 40 FEEB COc1cc(NC(=O)CO/N=C(/N)COc2ccccc2)cc(OC)c1 50820622 HVAFOSQBPQDSON-UHFFFAOYSA-N 359.382 2.010 30 40 FEEB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(CC(=O)NCCC#N)c2ccccc21 106170981 NLOANMLWZPHKIA-ZMSDIMECSA-N 356.470 2.313 30 40 FEEB C=C(C)CN(CC)C(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 5289455 SSSJSSMNYUIPLA-HNNXBMFYSA-N 362.451 2.457 30 40 FEEB C=CCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nnc1-c1ccncc1 13930153 VZNDLJTWOVYKJQ-OKILXGFUSA-N 373.482 2.254 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 5516559 ZRVIAQNUNWXELW-LQTLPLJTSA-N 358.872 2.351 30 40 FEEB CCN(C[C@H](C)C#N)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 95460727 HOZQXNFBYIMFSH-GFCCVEGCSA-N 354.414 2.293 30 40 FEEB C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1[N@+]([O-])(CC)C5)[C@@H]3CC2=O 252695304 YAFVVJNTIALWDB-NAOKLRGGSA-N 373.493 2.013 30 40 FEEB biogenic Cc1cccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 16741152 CFSNCLWFQPZSKD-QPRSIOOTSA-N 352.481 2.252 30 40 FEEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccnc1)c1ccco1 795074 BAFMZRSIUKAOJC-BBRMVZONSA-N 354.362 2.432 30 40 FEEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 101314320 UHPOVFFKKXOUGP-HJUNTIBCSA-N 370.471 2.079 30 40 FEEB CCOc1ccccc1C(=O)NC/C(O)=N/c1nc(C(F)(F)F)n[nH]1 36744263 JKKQJPFGTDHSQL-UHFFFAOYSA-N 357.292 2.240 30 40 FEEB Cc1cc(C)cc(N(CCC#N)C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1 12985147 BUXZCUDTBWCVFC-UHFFFAOYSA-N 363.421 2.296 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccn1 5576885 PWRNMOLZGYKWMP-GROYHEBESA-N 351.406 2.065 30 40 FEEB CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 95939164 UASSEQSMEWBRER-CFVMTHIKSA-N 357.410 2.038 30 40 FEEB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sccc3C#N)C2=O)cc1 14677351 HJHHKVFTMJOVBA-SFHVURJKSA-N 368.418 2.334 30 40 FEEB N#Cc1cnc(N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1 1888852988 ILZWPCHTQFBLGT-ZIAGYGMSSA-N 352.781 2.232 30 40 FEEB N#Cc1nc(-c2ccccc2)oc1NCCC(=O)NCCCn1ccnc1 32622261 XCQRFXOMPZHSNE-UHFFFAOYSA-N 364.409 2.418 30 40 FEEB Cc1cc(/C(O)=N/S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C)s1 54487360 QMHHMEYLTHVBND-UHFFFAOYSA-N 373.477 2.462 30 40 FEEB CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 108064078 KCGGOJPFAITKPS-GUDXXQAFSA-N 353.422 2.472 30 40 FEEB O=S1(=O)N=C(N(CCO)/N=C/c2ccccc2Cl)c2ccccc21 4269908 CHMMZFJQWOPKJP-WOJGMQOQSA-N 363.826 2.117 30 40 FEEB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C#N)cc3)C2=O)cc1 14168514 ZNTQOAFWWMZTIU-HXUWFJFHSA-N 362.389 2.272 30 40 FEEB COC(=O)c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 5719969 QXDFVBBPKKPQKU-LICLKQGHSA-N 352.799 2.439 30 40 FEEB C=CCOc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 4938189 WLDQQPJQJKINAW-UHFFFAOYSA-N 372.402 2.035 30 40 FEEB Cc1cnc2c(S(=O)(=O)N3CCN([C@H](C)CC#N)CC3)cccc2c1 40149689 AFLYQLJVYJXLQE-OAHLLOKOSA-N 358.467 2.152 30 40 FEEB CN(C)C(=O)CN1CCC[C@@]12CCCN(C(=O)c1ccccc1C#N)CC2 585100593 OWNBXYKAPUCBDG-OAQYLSRUSA-N 368.481 2.107 30 40 FEEB Cc1nc([C@H](C)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n[nH]1 591016826 TYSUDVXGKQLTHE-NSHDSACASA-N 353.386 2.116 30 40 FEEB COc1cc(OC)c(OC)cc1/C=N/N1CCN(c2ccccn2)CC1 100573156 PYDRNQJGMKDYOP-KGENOOAVSA-N 356.426 2.264 30 40 FEEB COc1cc(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)O)cc1OC 12548384 FYBZTBBPOHGGIH-UHFFFAOYSA-N 362.363 2.074 30 40 FEEB N#CC1(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)CCCC1 12582732 DAMQUYGWDGPPAY-NSHDSACASA-N 367.500 2.174 30 40 FEEB O=C(C[C@@H]1S/C(=N\C[C@H]2CCCO2)NC1=O)Nc1ccc(F)cc1F 6671679 GEGBUWNTZKYGRS-MFKMUULPSA-N 369.393 2.060 30 40 FEEB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)cc1 97229133 KRRTYCCAFMYQQZ-UHFFFAOYSA-N 368.411 2.292 30 40 FEEB CC(C)c1cc(/C(O)=N/S(=O)(=O)c2ccccc2Cn2ccnc2)[nH]n1 95469296 PWYKGVRGGVCUKS-UHFFFAOYSA-N 373.438 2.471 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@H]1c1ccccc1 102485649 BNQCZYKCNNCXTP-SELCWUDQSA-N 365.433 2.455 30 40 FEEB Cc1ccccc1N1/C(=N\C(=O)C2CC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 101312054 DKSNNDLCPNKXGU-FZJVYVCZSA-N 350.465 2.006 30 40 FEEB CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 783769 HOALSGLTTQFRPG-CPSHHHPTSA-N 351.358 2.252 30 40 FEEB N#Cc1ccc(CS(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 10959392 CGZQGXAUBKMOSY-UHFFFAOYSA-N 366.446 2.423 30 40 FEEB COCc1cc(C)n(CC(=O)Nc2cc(Cl)ccc2O)c(=O)c1C#N 408600068 SSZIKPDBPKPZAJ-UHFFFAOYSA-N 361.785 2.173 30 40 FEEB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2cc(C#N)ccn2)cc1 583621054 SJLMJIDTZZHKTJ-UYAOXDASSA-N 351.406 2.474 30 40 FEEB N#Cc1cc2c(nc1N1C[C@H]3CN(c4ncccc4F)C[C@H]3C1)CCOC2 2086861295 BQTUEGRDLZBPQV-IYBDPMFKSA-N 365.412 2.133 30 40 FEEB N#Cc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1 105631860 PLAWRRJRMRKJHG-XFQWXJFMSA-N 366.829 2.454 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 20445388 PQRXBMJGPZVPGK-BLCHQYFCSA-N 352.481 2.334 30 40 FEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4284994 JZRZBPUMOFEQER-HXUWFJFHSA-N 355.438 2.195 30 40 FEEB CCOc1cc(C#N)ccc1OCC(=O)N1CC(=O)Nc2ccccc21 6540470 NZHVZUVDYJZOHI-UHFFFAOYSA-N 351.362 2.321 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)ccc1OC 409048994 VKSPXSQVUDDLCK-BOQMQCLQSA-N 366.417 2.481 30 40 FEEB CCCCOC(=O)C(C)(C)O/N=C(\C(=O)OCC)c1csc(N)n1 72482094 YCRONEJFOLWEFP-WQRHYEAKSA-N 357.432 2.131 30 40 FEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 36806928 HROSFTXZAWTXIZ-HXUWFJFHSA-N 360.373 2.276 30 40 FEEB CC(C)[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)C(=O)O 594539339 ZKXRUAODCGJXBI-INIZCTEOSA-N 358.442 2.137 30 40 FEEB C=CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC=C)[C@H]1c1ccccc1 4223229 WVFVEGCATABCCP-OOSNJVJTSA-N 372.417 2.185 30 40 FEEB Cc1cc(F)ccc1N1CCC[C@@H](/N=C(/O)N2C[C@H]3COC[C@@H](C2)O3)C1 328725612 ZDQIWLWWLBAWSZ-ZACQAIPSSA-N 363.433 2.117 30 40 FEEB COc1ccccc1[C@H](C#N)NC(=O)c1cnc(C2CCN(C)CC2)[nH]1 685942065 MROSZJQDSHLXIC-HNNXBMFYSA-N 353.426 2.222 30 40 FEEB Oc1ccc2ccccc2c1/C=N\NC(=S)N[C@H]1CN2CCC1CC2 17379812 XFQFDFWONSBRIF-BCUAHEQISA-N 354.479 2.438 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CCN(c4ncc(Br)cn4)[C@H]3C2)nc1 1889089529 ZUMRWTUUSTXSEE-JSGCOSHPSA-N 371.242 2.221 30 40 FEEB COC(=O)c1ccc(C(=O)NCC#CCN2CCc3ccccc3C2)cc1 75164987 WXCBBIWIJVFGPE-UHFFFAOYSA-N 362.429 2.265 30 40 FEEB CNC(=O)NC(=O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 52798040 UYBBEICLGOZBNA-UHFFFAOYSA-N 354.385 2.155 30 40 FEEB Cc1ccc(C(=O)NC/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)s1 48496923 MOSKCILLQZLCRL-UHFFFAOYSA-N 363.420 2.003 30 40 FEEB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)no1 12971683 IRQOHLODVJWLIK-LLVKDONJSA-N 356.338 2.019 30 40 FEEB COc1ccccc1/C=N/N(CCC#N)C1=NS(=O)(=O)c2ccccc21 4700680 GQMUBSLAJBIERX-DEDYPNTBSA-N 368.418 2.394 30 40 FEEB N#CCSc1ccccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 84460248 NGGSXYPZTXIMTR-STQMWFEESA-N 355.419 2.192 30 40 FEEB C=CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409344461 GXQSARREBWSROZ-UHFFFAOYSA-N 366.333 2.457 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 85902141 BMTFQTMRFOSRNN-MRXNPFEDSA-N 370.365 2.166 30 40 FEEB CCCCCCCCSCCNC(=O)CCn1cc(F)c(=O)[nH]c1=O 97949592 UFKREYRBZZKFLZ-UHFFFAOYSA-N 373.494 2.276 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(C#N)cc2)C3)CC1 13566331 INBDXCCXQAONBA-UHFFFAOYSA-N 363.465 2.436 30 40 FEEB N#Cc1cc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)nc2ccccc12 1889139062 MACNJOXRXDFJMH-CQSZACIVSA-N 356.451 2.157 30 40 FEEB CC/N=C1/S[C@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC(=O)N1CC 100203592 HTHAQQWHMVTWJA-BZSIDJSBSA-N 363.439 2.142 30 40 FEEB C#CCCN1CCN(Cc2cn(CC(=O)NC3CC3)c3ccccc23)CC1 22917299 NUHUHTOLAKHTSD-UHFFFAOYSA-N 364.493 2.061 30 40 FEEB CN1CCN(CCC2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)CC1 58009161 BMUGWXVXZAGYFM-UHFFFAOYSA-N 355.486 2.440 30 40 FEEB N#Cc1ccc(CS(=O)(=O)N2CCN(Cc3ccccc3F)CC2)cc1 14122589 ZYBVUDNTTQATLC-UHFFFAOYSA-N 373.453 2.345 30 40 FEEB CN(CCC#N)c1ccc(/C=C2\C(=O)SC(=S)N2CC(=O)O)cc1 40227649 FHPWPRSQAQAYHQ-UKTHLTGXSA-N 361.448 2.322 30 40 FEEB O=C1Nc2ccc(Br)cc2/C1=N\n1cnc2ccccc2c1=O 1050687 DNHZTAQCJDULFM-UHFFFAOYSA-N 369.178 2.364 30 40 FEEB Cc1cccc(C)c1NC(=O)CN1CCN(C[C@H](C#N)CCC#N)CC1 24590512 NJIFIISOGGMGLH-SFHVURJKSA-N 353.470 2.303 30 40 FEEB C[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC(C)(C)O1 58191947 SAKNFNUNWJUGSB-CQSZACIVSA-N 353.426 2.182 30 40 FEEB C=C(C)CN(CC)C(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 5289451 SSSJSSMNYUIPLA-OAHLLOKOSA-N 362.451 2.457 30 40 FEEB C[C@H](C(=O)Nc1sccc1C#N)N(C)Cc1nc2ccccc2c(=O)[nH]1 14136246 PTIHMOOVYFJCGK-LLVKDONJSA-N 367.434 2.315 30 40 FEEB N#Cc1ccc(N2CC[C@H](OC(=O)c3cnc4ccccc4n3)C2=O)cc1 84605621 QHZRHYMVZHBWCX-SFHVURJKSA-N 358.357 2.464 30 40 FEEB COc1ccccc1C/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408527958 AKWOYGRTQHKELZ-PUFAJPFRSA-N 369.352 2.304 30 40 FEEB N#Cc1cc2ccccc2nc1N1CCC[C@H](NS(=O)(=O)C2CC2)C1 1889139068 PNRRHRVXDXFVDN-HNNXBMFYSA-N 356.451 2.157 30 40 FEEB C=CCN1CCO[C@@H]2CN(C(=O)COc3cc(F)ccc3F)CC[C@@H]2C1 1565550067 OHPXEVDTPMEKMG-RDTXWAMCSA-N 366.408 2.079 30 40 FEEB COc1cc2c(cc1OC)[C@@H]1[C@@H](C)C(=O)C3=C(CSCC3=O)N1CC2 1050064 YIFQANBRSXPXSB-MGNBDDOMSA-N 359.447 2.392 30 40 FEEB N#CCCN(Cc1ccco1)C(=O)Cn1cccc(C(F)(F)F)c1=O 31814356 ZIUGSBUFHUOGQQ-UHFFFAOYSA-N 353.300 2.403 30 40 FEEB C=CCc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1OCC(=O)OC 2801001 NPIPAKWLOMDZSX-MDWZMJQESA-N 363.391 2.299 30 40 FEEB C=CC[C@@]1(CO)C[C@@H](O)[C@H]2[C@@H](CC=C3CC4(CC[C@@]32C)OCCO4)[C@H]1O 4831287 UATRNPBZSKTJEY-YRYYUTHUSA-N 364.482 2.163 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 3492987 LXLBSBMPICVQLR-OAHLLOKOSA-N 364.862 2.462 30 40 FEEB COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1OCc1ccccc1F 3947298 IPIYCKGKWBNWTC-AWQFTUOYSA-N 369.356 2.338 30 40 FEEB CN(C)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 32277470 NDVMHEWNAMFYPC-SFHVURJKSA-N 367.428 2.309 30 40 FEEB O=C(c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1)N1CCC(O)CC1 19337191 FTQJTHKRPDZIFR-UHFFFAOYSA-N 372.428 2.264 30 40 FEEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 6048834 NWNCTWSGXYLFSE-UHFFFAOYSA-N 374.740 2.498 30 40 FEEB N#Cc1ccc(OC[C@H](O)CNC[C@H](c2ccco2)N2CCCC2)cc1 40160697 PVOVAMGOJIXORH-IEBWSBKVSA-N 355.438 2.318 30 40 FEEB CCCC/N=C1\NC(=O)[C@@H](CC(=O)NCCc2ccc(OC)cc2)S1 6480951 WYXINHCWBDIWBV-OAHLLOKOSA-N 363.483 2.132 30 40 FEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2cn3ccccc3n2)CC1 21835587 PODRPINTVABCIO-UHFFFAOYSA-N 362.393 2.436 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(Cc2ccc(OCC(F)(F)F)cc2)c1 47172302 AYXMUZZGYWEHJD-UHFFFAOYSA-N 366.295 2.496 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)c1ccc(N2CCOC2=O)cc1 53469337 GAVXWSFIJGZVGS-UHFFFAOYSA-N 368.368 2.496 30 40 FEEB N#Cc1ccc(OC[C@@H](O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 14185747 MNYTZLIRZUTQFL-AWEZNQCLSA-N 355.781 2.361 30 40 FEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc([N+](=O)[O-])c1 408740440 KQQGFEJDOIQONW-YFEUJDIGSA-N 368.374 2.361 30 40 FEEB COc1ccc(C(=O)c2c(C#N)c(N)nc(Br)c2C#N)cc1 96336576 DQZMFLKDWDOCNZ-UHFFFAOYSA-N 357.167 2.409 30 40 FEEB N#C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)N=C1c1ccc(Cl)cc1 255188280 JGUSHGPBSBHJOR-GFCCVEGCSA-N 360.826 2.351 30 40 FEEB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CCC#N)C2=O)cc1 8391943 UEQGRPRQJXYOAJ-UHFFFAOYSA-N 365.389 2.413 30 40 FEEB COC(=O)c1c(C)[nH]c(C(/C=C2\C(=O)N(C)c3ccccc32)=N\N)c1C 17837101 AVRQYDLVCXDVFK-BUXVXYNSSA-N 352.394 2.141 30 40 FEEB COc1cc(C2CC(=O)C(=C3NCCS3)C(=O)C2)cc(OC)c1OC 20800944 MFQSCGRRVRYQCS-UHFFFAOYSA-N 363.435 2.276 30 40 FEEB COc1ccc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc1 6315137 LKILFTVARDEPLU-UHFFFAOYSA-N 357.435 2.078 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(C)cc1 32503171 RDYSDJRWVOHEPS-UICBKRPASA-N 366.508 2.392 30 40 FEEB N#CC1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218151946 GOGLQIDWESQYDM-SJORKVTESA-N 352.371 2.389 30 40 FEEB COc1cc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2=O)ccn1 1775973981 VBBWQIIENRVVLV-UHFFFAOYSA-N 359.389 2.363 30 40 FEEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1)OC 5445585 FGBDJCQIRINXJF-QGZVFWFLSA-N 368.389 2.279 30 40 FEEB C[C@H]1C[C@H](C)CN(CCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 40110356 BSPSECGNRGDNHD-IRXDYDNUSA-N 369.513 2.264 30 40 FEEB N#Cc1c(N)nc(N2CCOCC2)c(C#N)c1[C@H](C#N)Cc1ccccc1 20268297 YEFLHKCPGDIVNY-HNNXBMFYSA-N 358.405 2.094 30 40 FEEB COc1ccc(C2=[N+]([O-])[C@](C)(C(=O)c3ccccc3)N(O)[C@@H]2OC)cc1 7813309 LOAJGWMQBKWIDB-MOPGFXCFSA-N 356.378 2.271 30 40 FEEB COc1ccc(OCCN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1 24588140 QXUWNLAXRKENPP-KRWDZBQOSA-N 356.422 2.317 30 40 FEEB COc1cc(CNC(=O)COc2ccc(C#N)cc2)cc(OC)c1OC 7890555 ZQZFKOCOFJTAMP-UHFFFAOYSA-N 356.378 2.279 30 40 FEEB CCOC(=O)CN1/C(=C/c2ccccc2)C(=O)c2ccccc2S1(=O)=O 5274934 WFBRGCCPMAEREM-FOWTUZBSSA-N 371.414 2.478 30 40 FEEB C/C=C/Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 4730569 YRYXBSRBWTZZAG-VAKDNYGLSA-N 372.816 2.099 30 40 FEEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)c2ccc([S@](C)=O)cc2)s1 83150454 HORNEOHMACVMHL-OAQYLSRUSA-N 358.466 2.191 30 40 FEEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 408527800 ABTSPXHMZAVVPT-MRXNPFEDSA-N 367.361 2.305 30 40 FEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccn2)CC1 33237493 BBCGHOZLWUVPNH-INIZCTEOSA-N 350.422 2.065 30 40 FEEB N#Cc1ccc(C(=O)N2CCC(c3nccc(-c4cncnc4)n3)CC2)[nH]1 1775960352 GYPWRWNUOQSAGR-UHFFFAOYSA-N 359.393 2.153 30 40 FEEB CN(C)c1ccc(/C=N/c2c(C#N)[nH]c(=O)n(-c3ccccc3)c2=N)cc1 100946984 CSDNYWSYGSNSKX-ZYVIXVCZSA-N 358.405 2.333 30 40 FEEB CCN(CC(=O)NC(C)C)C(=O)CSc1nc(C)c(C)c(C)c1C#N 32887958 ADZAZDIZIDXHMK-UHFFFAOYSA-N 362.499 2.344 30 40 FEEB CC(C)CC(=O)N1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 24986813 QXTIWTAVHASJAQ-UHFFFAOYSA-N 362.861 2.340 30 40 FEEB Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 13689222 OFDQKMKJJGDCPA-HNNXBMFYSA-N 374.466 2.228 30 40 FEEB CON(C)S(=O)(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 6550790 UVSNEPWZVCGLFE-UHFFFAOYSA-N 366.439 2.123 30 40 FEEB COc1ccc(C(=O)Oc2ccccc2/C=N/NC2=NC(=O)CS2)cc1 4682572 VDJZSVMHVPNSBF-VXLYETTFSA-N 369.402 2.467 30 40 FEEB CCN1CCc2c(C#N)c(NCCN)nc(NCc3ccccc3)c2C1 5791276 BNLZUTXQZFFART-UHFFFAOYSA-N 350.470 2.314 30 40 FEEB COc1cc(OC)c(OC)cc1/C=N/n1nnnc1Nc1ccccc1 5393848 RGHFIZDFKWCHKL-WOJGMQOQSA-N 354.370 2.325 30 40 FEEB COc1ccccc1N1C(=O)C(=O)/C(=C(\C)N)[C@H]1c1cccc([N+](=O)[O-])c1 100252650 HBGVJXMYBHBCAN-ABPVARSCSA-N 367.361 2.493 30 40 FEEB C#CCn1/c(=N\C(=O)c2cc(C)no2)sc2cc3c(cc21)OCCO3 101135190 VFCJYEBKIGIMFW-ISLYRVAYSA-N 355.375 2.145 30 40 FEEB COCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2313161 WTYPWJMMNUDZIA-HNNXBMFYSA-N 367.453 2.380 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1cccnc1Nc1ccccc1F 6158451 SNMLDSUOGFQSQR-UHFFFAOYSA-N 372.356 2.133 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 5887583 MKRUHIZBSKCRCE-CQSZACIVSA-N 371.824 2.302 30 40 FEEB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC#N 409328466 VUDSQDHCLBCBSO-GQCTYLIASA-N 358.310 2.267 30 40 FEEB CN(C)CC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1 12222330 KPBBOGWQJAVEIA-UHFFFAOYSA-N 368.481 2.162 30 40 FEEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)COc2ccccc2)n1 14608420 BMKZFVPHUKPBRP-UHFFFAOYSA-N 362.393 2.477 30 40 FEEB CCOc1cc(C#N)ccc1OCC(=O)NCc1ccc(C(=O)O)cc1 13230974 ZEXRZSSAIUIKIB-UHFFFAOYSA-N 354.362 2.350 30 40 FEEB Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(C#N)cc1 217871985 YDYACQXOVGIFQT-UHFFFAOYSA-N 367.434 2.104 30 40 FEEB COc1ccc(/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1 829438 FBDYJPIHSKXVJQ-XUTLUUPISA-N 351.406 2.452 30 40 FEEB CC/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(O)cc1 58168483 QFEVCWQXRWATRI-GHRIWEEISA-N 364.383 2.174 30 40 FEEB O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCC(CO)CC1 84374350 BTUHKCWOKXVIFX-UHFFFAOYSA-N 368.458 2.317 30 40 FEEB NC(=O)NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 33355051 FMTMUAQGOCRPLX-GSVOUGTGSA-N 372.090 2.216 30 40 FEEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)[C@H]1CCS(=O)(=O)C1 67982320 OZDNFEWQNXLZOH-HFUDNHEJSA-N 366.508 2.331 30 40 FEEB C=CCNC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682359 GTBXQQFGEONCJU-SFHVURJKSA-N 372.446 2.086 30 40 FEEB O=C1NC(=O)[C@@H]([N+](=O)[O-])[C@H](/C=C/c2ccc(OCc3ccccc3)cc2)N1 6223262 LOCSSCIIUYAGTP-BAMWUGHESA-N 367.361 2.132 30 40 FEEB C#CCN1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O 208493106 QBMWEDOEFKKUPY-OQLLNIDSSA-N 354.387 2.484 30 40 FEEB Cc1noc(CN2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)n1 218595748 BAKYKIIEVIBYAE-UHFFFAOYSA-N 353.407 2.214 30 40 FEEB COc1cc(/C=N/n2c(S)nnc2-c2ccncc2)cc(OC)c1O 1478503 DQLODUIDPPSZOB-GIJQJNRQSA-N 357.395 2.234 30 40 FEEB N#Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408536982 UFCBKFSDJLCHRS-LMRQPLJMSA-N 350.378 2.144 30 40 FEEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N[C@@H]1c2ccccc2C[C@@H]1O 53602062 FRZPYDFJVVDECH-JCGIZDLHSA-N 374.400 2.480 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)cc1 40073700 UORCDLFMQUKFKE-UHFFFAOYSA-N 372.432 2.097 30 40 FEEB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 51163220 LHJLVYQVPFHCHA-UHFFFAOYSA-N 373.434 2.043 30 40 FEEB CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(S(=O)(=O)O)cc1 101491663 NKTYUDPGWKZYKR-OBGWFSINSA-N 358.379 2.124 30 40 FEEB C=CCNC(=O)CSc1nnc2c3cc(OCC)ccc3n(C)c2n1 4856476 NEVVUXSYCOARFT-UHFFFAOYSA-N 357.439 2.310 30 40 FEEB N#Cc1cc(CN2C[C@H](C(=O)NCc3ccco3)[C@H]3OCC[C@H]32)ccc1F 108524719 KXEFCZRZFIEQAQ-QXAKKESOSA-N 369.396 2.196 30 40 FEEB COC(CN(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12)OC 61992824 VDNOZODENXPGDB-AARGWZFMSA-N 367.486 2.063 30 40 FEEB biogenic N#CCCN(CCC#N)C(=O)CSc1cc(C(N)=O)c2ccccc2n1 12788304 PETSLBBFCBNXOF-UHFFFAOYSA-N 367.434 2.082 30 40 FEEB Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@@](C)(C#N)C(C)C 15520553 FFNGNGGCJLQAFK-KRWDZBQOSA-N 358.471 2.426 30 40 FEEB N#Cc1ccsc1C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005255 MQLYLIIUFBABBJ-CQSZACIVSA-N 367.496 2.086 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 95915233 JODBWCZJRQWQKS-BKJYESAMSA-N 352.481 2.334 30 40 FEEB Cc1c(NC(=O)COc2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C 5108931 PYTZIFDNPNPFHH-UHFFFAOYSA-N 362.389 2.374 30 40 FEEB Cc1cccc(NC(=O)C(=O)[C@@H]([C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C 1627898 JYENQJXMPABEPI-RDJZCZTQSA-N 368.345 2.368 30 40 FEEB C[C@H]1CCc2c(sc(NC(=O)CCN3C(=O)NC(C)(C)C3=O)c2C#N)C1 32722049 IFAFCSLDUUUANF-JTQLQIEISA-N 374.466 2.404 30 40 FEEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 101300699 UMXBNQAFWFFVOQ-LTUGMUNRSA-N 356.444 2.083 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3535356 OWPOCWOAQQTAKV-SFHVURJKSA-N 357.435 2.403 30 40 FEEB N#Cc1cc(C(=O)c2ccccc2O)cn(-c2ccccc2C(=O)O)c1=O 14141229 XFVSFJFLTYHGPS-UHFFFAOYSA-N 360.325 2.344 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N\Cc3ccccc3)C2=O)c1 408536599 SEZUHCBTVXAQHG-DEFALTHMSA-N 351.362 2.165 30 40 FEEB C[C@@H]1CO[C@@H]2C3=C(C(=O)C=CC3=O)[C@H]3OC(=O)[C@H]4CC[C@H]5[C@H]1CC[C@]25[C@H]43 85776320 QCPDBEXGCHOIDE-GETJIQAASA-N 354.402 2.004 30 40 FEEB C[C@@H]1CN(/C(O)=N/Cc2ncnn2C(C)(C)C)CCN1CC(F)(F)F 330393215 QGMQCTDCQBGIGH-LLVKDONJSA-N 362.400 2.016 30 40 FEEB CC/N=C1\S[C@@H](CC(=O)NCCc2ccc(OC)cc2)C(=O)N1CC 12540198 UEWYGXMAFNLZEC-IJYGLTAASA-N 363.483 2.084 30 40 FEEB O=[N+]([O-])c1cccc(/C=N/NC(=S)N/N=C/c2cccc([N+](=O)[O-])c2)c1 1682560 OBVRGSYPWFPNQE-CZCYGEDCSA-N 372.366 2.335 30 40 FEEB C=CCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3Cl)ccc2c1=O 4792912 MELITHWHEHNSLO-UHFFFAOYSA-N 369.808 2.459 30 40 FEEB C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 56140042 NNVMXMBRYVUIMF-MRXNPFEDSA-N 365.476 2.204 30 40 FEEB O=C(C[C@@H]1NC(N/N=C\c2ccccc2)=NC1=O)Nc1ccccc1Cl 61721976 RHTFDRMGCUUEOF-PFHZTYADSA-N 369.812 2.147 30 40 FEEB C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3CC2=O 100764217 CBOSLVQFGANWTL-VQTJOCDLSA-N 357.494 2.000 30 40 FEEB biogenic,in-vitro CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 101306430 WLPBEPHDACUUEX-QLXQBBHQSA-N 352.481 2.084 30 40 FEEB C#CCOc1ccc2ccccc2c1C=C1C(=O)N(C)C(=S)N(C)C1=O 2183789 YSSOJKRWTOUXSI-UHFFFAOYSA-N 364.426 2.451 30 40 FEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc3c2OCCO3)C1=O 58308116 SORMIKLJKALSDJ-FQEVSTJZSA-N 363.373 2.297 30 40 FEEB Cc1ccc([C@@H]2/C(=C(\O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)o1 6382656 AGOSDSHLJQCYDP-GROYHEBESA-N 369.421 2.356 30 40 FEEB O/N=C(\c1ccccc1)C12C3[C@@H]4[C@H]1C1[C@H]2[C@H]3C4(Br)C12OCCO2 4617502 WTEAORZRLOVQJG-LUYJNLGMSA-N 374.234 2.493 30 40 FEEB C=C(C)Cn1c(=O)n(CCCO)c(=O)c2c3c(sc21)COC(C)(C)C3 6756240 RWSTUOURQUBXCM-UHFFFAOYSA-N 364.467 2.035 30 40 FEEB COc1ccc(C/C(N)=N/OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 85408675 WGQCGHJMNMEFIQ-UHFFFAOYSA-N 374.393 2.393 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c(OC)c1 222248425 HCKZNPLHWXTKAE-UJLZMTJVSA-N 352.390 2.091 30 40 FEEB O=C(O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 4311649 XVWCAEMLHDZFLM-INIZCTEOSA-N 355.321 2.489 30 40 FEEB CO[C@@H](C)C/C=N/N=c1\[nH][nH]/c(=N\N=C\C[C@@H](C)OC)c2ccccc12 4946375 BRCPZVOBLPHGKE-LZRYJZFRSA-N 358.446 2.119 30 40 FEEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1cccc(C#N)c1 64100168 LHAWXECYADJYON-OCCSQVGLSA-N 352.412 2.178 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC 5516466 YIBWZEGRKSPOEF-SXLZIHSGSA-N 368.480 2.097 30 40 FEEB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 5652187 QHIBYOSYLYNJLE-ZDUSSCGKSA-N 356.455 2.486 30 40 FEEB Cc1cn2nc(N[C@H]3CCN(c4ncc(C#N)cc4Cl)C3)ccc2n1 570386823 PFPJGGUQPFNROY-ZDUSSCGKSA-N 353.817 2.649 30 40 FEEB C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 96181273 KJPJVCQAWZNXEU-UYAOXDASSA-N 355.482 2.281 30 40 FEEB N#Cc1nccnc1N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1888900893 KDOWBPCYNPYMAG-UHFFFAOYSA-N 364.384 2.114 30 40 FEEB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)C[C@@H](C)C#N)cc1 58201663 HKUXOTWOSTUBNQ-UONOGXRCSA-N 351.472 2.385 30 40 FEEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc5c(c4)OCO5)c(=O)[nH]c3c2c1 9168844 GVASLVNFUVXDOK-DNTJNYDQSA-N 362.345 2.090 30 40 FEEB C/C(=N\OC(=O)c1nn(C)cc1I)c1ccncc1 5621304 DMYSQIAGYMSGQX-LZYBPNLTSA-N 370.150 2.001 30 40 FEEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@@H]2C1 2086968390 PXGHJTSGZQRKBZ-ROUUACIJSA-N 356.433 2.281 30 40 FEEB O=C(/C=C/c1ccc(Br)cc1)c1c(O)[nH]c(=O)sc1=O 20803224 JBWKCSNHIROMMZ-ZZXKWVIFSA-N 354.181 2.161 30 40 FEEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(O)cc1 102729816 LYNYTLQYXGLGOG-UYTDBDHRSA-N 357.362 2.443 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1O 105182498 HIGSFETWXVOBRR-BIIANNILSA-N 352.390 2.322 30 40 FEEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccc2O)CC1 58158643 PMMIZEOAJREFHO-OAHLLOKOSA-N 350.422 2.413 30 40 FEEB C=C(Br)CNC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 58418797 FXGYWUCMNJQICK-LLVKDONJSA-N 353.216 2.215 30 40 FEEB Cc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[n+]([O-])c2ccccc2[n+]1[O-] 5810839 MHRGTPRZPJAAJS-ZHACJKMWSA-N 351.318 2.219 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl 17028149 NCRDPORGBNIPPH-YXEAAEFPSA-N 372.899 2.347 30 40 FEEB C=CCNC(=O)CN1CCN(C(=O)Cc2coc3cc(C)c(C)cc23)CC1 53309794 WRYXAKOLBDAMCY-UHFFFAOYSA-N 369.465 2.039 30 40 FEEB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccc(C#N)c(Cl)c1 12762220 ILRDAXHJJXMPPH-UHFFFAOYSA-N 359.769 2.337 30 40 FEEB COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 14136834 JCJPALOHKCDJHN-UHFFFAOYSA-N 371.462 2.073 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 5489870 HGUCMUSCDIICCD-HJPHCXOUSA-N 352.481 2.315 30 40 FEEB CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)NC(C)(C)C 6638055 ALDSDAIKNKWZLV-UHFFFAOYSA-N 350.850 2.387 30 40 FEEB O=C(O)c1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 9412475 HAEAFFSZELWILD-CAOOACKPSA-N 354.395 2.026 30 40 FEEB O/C(=N/CCc1ccn(-c2ccccc2)n1)N[C@@H]1CCO[C@]2(CCOC2)C1 329096348 BRVMSFBIHNFMBF-YLJYHZDGSA-N 370.453 2.257 30 40 FEEB Cc1cc(C(=O)N2CC[C@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)[nH]n1 96072604 JZCKDMUSXRFWNW-APWZRJJASA-N 351.410 2.076 30 40 FEEB Cn1ccnc1[C@@H]1[C@@H](CNc2cnccc2C#N)CCC(=O)N1C1CC1 596561656 KLVBPOPLQFWECO-KDOFPFPSSA-N 350.426 2.241 30 40 FEEB N#Cc1cccnc1NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 52386613 CXZYZAILQFIOJZ-INIZCTEOSA-N 372.450 2.023 30 40 FEEB COc1ccc(N/N=C2/N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1 6668139 FGHZVPWEAMNVLY-LTGZKZEYSA-N 355.350 2.441 30 40 FEEB N#Cc1ccc(CN2CCN([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 101490619 AMYFQUSPPOAEJB-HXUWFJFHSA-N 374.444 2.008 30 40 FEEB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc([N+](=O)[O-])cc2)=C1O 9110452 LETXHYIAMNICFT-CQSZACIVSA-N 369.289 2.369 30 40 FEEB N#Cc1cnc(N2CCN(Cc3ccc(Br)s3)CC2)cn1 106462718 JVZZKYOBGBKFCQ-UHFFFAOYSA-N 364.272 2.494 30 40 FEEB C=CC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]1C[C@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 101327214 LSVIWPNZJIGKRQ-KBKXGUEOSA-N 367.513 2.255 30 40 FEEB NC(=O)c1ccc(OC/C(O)=N/S(=O)(=O)c2cccc(Cl)c2)cc1 64666455 NVKFEZCVQQPADN-UHFFFAOYSA-N 368.798 2.163 30 40 FEEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 5370303 SDFFEYOWUVDLQY-RGHHBTPQSA-N 356.444 2.083 30 40 FEEB Cc1cc(Nc2nc(C(=O)O)cs2)nc([C@H]2CCCN(CC#N)C2)n1 585290024 PYMDVJZHMRVQHK-NSHDSACASA-N 358.427 2.386 30 40 FEEB COc1cc(/C=N/NC(N)=S)ccc1OCC(=O)Nc1ccccc1C 13747159 MCSLKYZSQGOTFL-KEBDBYFISA-N 372.450 2.188 30 40 FEEB Cn1cc(-c2ccc(CCNC(=O)C(=O)Nc3ccccc3C#N)cc2)cn1 1889271540 BWYYXRBJDHQMJB-UHFFFAOYSA-N 373.416 2.256 30 40 FEEB C=CCNC(=O)N1CCN(c2ncnc(-c3ccc(OC)cc3)c2F)CC1 1775972518 IYHURHLLRHEEEY-UHFFFAOYSA-N 371.416 2.309 30 40 FEEB O=C1C[C@@H](/C(O)=N/c2ncn[nH]2)CN1c1ccccc1Br 23140609 LWZHGGLIGRYJAZ-MRVPVSSYSA-N 350.176 2.208 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)n([C@@H](C)CC)n2)cc1 95463239 WSWFMQGHRRSYLC-ZDUSSCGKSA-N 374.466 2.326 30 40 FEEB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC#N)NC1=S 409005939 HJRIBMKDZAUBFX-FLIBITNWSA-N 366.240 2.429 30 40 FEEB N#Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 12886955 ITQPDZNJEKURFE-QGZVFWFLSA-N 371.462 2.188 30 40 FEEB COc1ccc([C@H](CNc2ccc(C#N)cn2)N2CCOCC2)cc1OC 40049880 ZTZMOUHSZQTIFB-KRWDZBQOSA-N 368.437 2.456 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C#N)C2=O)c1 408529686 CXKPWQGULDLUEM-OAHLLOKOSA-N 362.345 2.168 30 40 FEEB CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(N)=N/OCC(=O)NC(C)(C)C 40158260 LCBLHNJXEFKBPL-LBPRGKRZSA-N 358.483 2.129 30 40 FEEB C=CCN1CCO[C@H]2CN(C(=O)COc3cc(F)ccc3F)CC[C@H]2C1 1565550066 OHPXEVDTPMEKMG-KSSFIOAISA-N 366.408 2.079 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC 101306835 YIBWZEGRKSPOEF-WWEKPDJXSA-N 368.480 2.097 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@H]1c1ccco1 6160431 SBJVRCZGZIJWBB-IBOXJLQUSA-N 355.394 2.048 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccn1 4326104 QGRYBEQHRKJXKT-SELCWUDQSA-N 365.433 2.455 30 40 FEEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 9467052 CAJCTZNQZKZASP-UHFFFAOYSA-N 356.407 2.280 30 40 FEEB C=CCn1c(S[C@H](C)C(=O)/N=C2/NCCS2)nnc1-c1cccnc1 35655222 OSZZDXKKRBWFKN-LLVKDONJSA-N 374.495 2.226 30 40 FEEB COC(=O)C1=C(C(C)=O)[C@@H](c2cccc(Cl)c2)c2c(nc(C)[nH]c2=O)O1 66089415 OZGXQIIHOSBTKA-CYBMUJFWSA-N 374.780 2.272 30 40 FEEB O=C(c1ccccc1)N1CCC(/N=C(/O)N2CC3(CCOCC3)C2)CC1 330172462 GLFVJANGQGZNBA-UHFFFAOYSA-N 357.454 2.318 30 40 FEEB C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 331973843 UUJYNCMJCJBPNF-UXHICEINSA-N 368.481 2.367 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1[N+](=O)[O-] 847087 GMVGNXGARSBWFC-INIZCTEOSA-N 370.365 2.166 30 40 FEEB CCOc1cc(C#N)ccc1OCC(=O)N1CCN(c2nccs2)CC1 10270434 GPNIQQCCMKZXCI-UHFFFAOYSA-N 372.450 2.141 30 40 FEEB N#Cc1cccnc1N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58217739 JLHVULLCNDOGFP-GOSISDBHSA-N 362.481 2.387 30 40 FEEB COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(OC)c1 12971679 KSIMRDJHJCYGIE-UHFFFAOYSA-N 355.394 2.452 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccsc1)C1=C(N2)c2ccccc2C1=O 3646258 UWPKEWROTLCVMD-GFCCVEGCSA-N 363.398 2.300 30 40 FEEB C#CCN1C(=O)S/C(=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C1=O 13892742 ITTMTRQYBWGPGE-AHEVQNHNSA-N 361.375 2.217 30 40 FEEB COCCN(CCC#N)S(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 78822717 LLBXDDAXQNFIRN-LLVKDONJSA-N 358.847 2.214 30 40 FEEB CCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 31610495 KXXFKSBNMMHHAC-UHFFFAOYSA-N 372.450 2.326 30 40 FEEB Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCC1(C#N)CCCCC1 599345967 FHLMPYSKDOJVAM-UHFFFAOYSA-N 350.366 2.191 30 40 FEEB N#CC1(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CCC1 95999161 KXPORDIIKXVNKP-INIZCTEOSA-N 373.478 2.064 30 40 FEEB COc1ccc(C2(O)CCN(C/C(O)=N/c3nnc(C)s3)CC2)cc1 19288329 AZOMUUVKWIOWPR-UHFFFAOYSA-N 362.455 2.427 30 40 FEEB C=C1[C@H]2C[C@@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3CC2=O 100764212 CBOSLVQFGANWTL-ZSMWLREKSA-N 357.494 2.000 30 40 FEEB biogenic N#Cc1ccc(CS(=O)(=O)CC(=O)NCCSc2ccccc2)cc1 40131285 AXVUMCCRYSIISP-UHFFFAOYSA-N 374.487 2.382 30 40 FEEB Cc1cccc(C)c1N1/C(=N\C(=O)C2CC2)S[C@H]2CS(=O)(=O)C[C@@H]21 101309927 ZXBUIWMTCGXPMT-NIQMNWOISA-N 364.492 2.315 30 40 FEEB C[C@H](CC#N)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 58299642 CSESGLVSGHRDIB-GFCCVEGCSA-N 352.416 2.483 30 40 FEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 9450506 LGGCNGQVPDOZRO-SFHVURJKSA-N 365.380 2.156 30 40 FEEB N#Cc1cc(N/N=C/c2cc([N+](=O)[O-])ccc2O)c([N+](=O)[O-])cc1C#N 38163829 KWMWKULUWJGKNO-QGMBQPNBSA-N 352.266 2.398 30 40 FEEB C=CCNC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 223572082 CNQJUQSOFIZIKE-UHFFFAOYSA-N 366.483 2.105 30 40 FEEB N#Cc1cc2c(nc1N1CCN(Cc3cccc(F)c3)C(=O)C1)CCC2 329581545 AEWWUJGTNOBGTN-UHFFFAOYSA-N 350.397 2.430 30 40 FEEB COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1/C2=N/NC(N)=S 5080651 DEXPUVAVLVLOIU-VKAVYKQESA-N 373.350 2.078 30 40 FEEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)C2CCCC2)CC1 23057582 ZJMYUGDAXDSNOX-MRXNPFEDSA-N 360.502 2.052 30 40 FEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(C(=O)c2ccccn2)CC1 57140637 JDWIENDNDWCOBP-UHFFFAOYSA-N 351.366 2.214 30 40 FEEB N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCC(=O)NCC(=O)O 8382613 XMWZYMLIKCZBKL-UHFFFAOYSA-N 359.329 2.142 30 40 FEEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1Cc1ccc2c(c1)OCO2 12981140 JESBUNCIVVHPHJ-UHFFFAOYSA-N 363.377 2.228 30 40 FEEB NC(=O)c1ccccc1OCC#CCNC(=O)c1nc2ccccc2s1 90610543 BEKOFGRZNIDKCY-UHFFFAOYSA-N 365.414 2.207 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N 5501053 KJCNTJWPQJELGD-QXAKKESOSA-N 363.421 2.106 30 40 FEEB CN(C)CCOc1ccc2c(c1)C(=O)/C(=C\c1ncc([N+](=O)[O-])n1C)C2 17064209 JJRNMSJFNVLPDG-LCYFTJDESA-N 356.382 2.091 30 40 FEEB COc1cc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc(OC)c1O 12322575 JNAASYFXWWQGGV-CQSZACIVSA-N 358.354 2.378 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309639 SXNKVXSDDHEEDA-AXYFJBAVSA-N 356.513 2.072 30 40 FEEB N#Cc1ccc(OCC(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1 12555365 VOWFCKOSYSKFPS-UHFFFAOYSA-N 365.418 2.109 30 40 FEEB N#Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 3309968 PURCPEBWOJQDJL-XBXARRHUSA-N 350.330 2.482 30 40 FEEB C#CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 58213655 FGHCQDWNCWBASB-UHFFFAOYSA-N 364.243 2.442 30 40 FEEB COC(=O)[C@H]([C@H](SC(C)=O)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] 2239927 QUDSEISCSVORLY-LSDHHAIUSA-N 364.379 2.441 30 40 FEEB COc1cc(OC)c(OC)cc1C=Nn1c(O)nc2ccccc2c1=O 409358617 MNOFPTXWDKTAMZ-UHFFFAOYSA-N 355.350 2.010 30 40 FEEB C=C(C)C[C@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 5389818 NAMJXTOLLRLBNM-XFEYQPKCSA-N 355.390 2.401 30 40 FEEB N#C[C@@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCNC1 592955832 FMMSYRCQUGYDIX-SFHVURJKSA-N 353.451 2.148 30 40 FEEB COc1cc(C#N)ccc1OS(=O)(=O)c1ccc(N2CCCC2=O)cc1 30495464 ZYVDPSJEPDLOHM-UHFFFAOYSA-N 372.402 2.461 30 40 FEEB CCN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)CC1 20756440 OURZJOAJOVHDAD-KFYPDWBNSA-N 362.514 2.149 30 40 FEEB N#Cc1cccc(S(=O)(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 10670434 YTBKRTRLRXZPHG-UHFFFAOYSA-N 355.419 2.385 30 40 FEEB C/C(=N/N=C1NC(=O)/C(=C/C(=O)O)S1)c1ccc(Br)cc1 408717978 GOHPSJFCJHDUDD-WUOUCUFGSA-N 368.212 2.361 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(CC(C)C)s1 39978443 NBIRHILTDWFVFF-UHFFFAOYSA-N 359.455 2.485 30 40 FEEB N#Cc1cccnc1N1CCN(CC(=O)Nc2ccccc2Cl)CC1 14068372 UDAUUIFQHVRCTF-UHFFFAOYSA-N 355.829 2.367 30 40 FEEB N#Cc1ccc(NCc2cccnc2N2CCC(C(N)=O)CC2)c(F)c1 78445620 AJBIVNGVJFZSJK-UHFFFAOYSA-N 353.401 2.406 30 40 FEEB Cc1cccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 75104576 OAMJIOMEWQZMHV-HNNXBMFYSA-N 359.426 2.345 30 40 FEEB O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc3nnc(C(F)(F)F)n3n2)c1 36034008 QDFQTGAZKRWJPX-UBKPWBPPSA-N 367.247 2.203 30 40 FEEB O=C1NC(=O)N(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[C@H]1O 5639791 VEVCGFUNQDTPCR-YVTAIUNXSA-N 354.149 2.458 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@H](c3cccc(Cl)c3Cl)[C@]12C#N 100196611 PAVLOZGXEKMXSF-YUTCNCBUSA-N 351.193 2.428 30 40 FEEB C=CCOc1ccc(C(=O)N2CCC(c3nnn[nH]3)CC2)cc1OCC 55154898 IGTUFHGBINKNPE-UHFFFAOYSA-N 357.414 2.183 30 40 FEEB Cc1cccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c1C(=O)N1CCCC1 55846439 IPEQTRHNAVPOOI-FQEVSTJZSA-N 354.454 2.451 30 40 FEEB COc1ccc(-c2c(C#N)c(N)nc3c2CN(C)CC3)c(OC)c1OC 18222890 PDHJLDKUGMGOGM-UHFFFAOYSA-N 354.410 2.216 30 40 FEEB CSc1ccc(/C=N/Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 4934804 LJLVGWLKTBNBQF-CXUHLZMHSA-N 366.424 2.410 30 40 FEEB C=CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCOCC1 226278407 LPWIOPDBHIUQDI-UHFFFAOYSA-N 372.343 2.391 30 40 FEEB COC(=O)c1ccccc1/N=C(\O)N1CCN(CCc2ccncc2)CC1 31809198 PHWJWNOQHJEFST-UHFFFAOYSA-N 368.437 2.274 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1cccc(O)c1 102873615 ITXJEPSJCNWTGS-UYTDBDHRSA-N 357.362 2.362 30 40 FEEB C=C1[C@H]2C[C@@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3CC2=O 100764215 CBOSLVQFGANWTL-VRVLKEOGSA-N 357.494 2.000 30 40 FEEB CCCCCCCN1C(=O)NC(=O)/C(=C/NCCCN(CC)CC)C1=O 101240107 PNBFAZXRYMVKAT-NXVVXOECSA-N 366.506 2.241 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)N1CCc2ccccc2C1 68237569 ZUVXMCWGOBVUBJ-UHFFFAOYSA-N 371.462 2.317 30 40 FEEB C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCO2 5990417 MLVWZLZYQSGEPD-GFCCVEGCSA-N 368.345 2.236 30 40 FEEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(CC)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908863 QAXDOHCZUUIXCB-OXFYSEKESA-N 356.422 2.462 30 40 FEEB CC1(C)Cc2c(sc(NC(=O)C(=O)NCc3ccco3)c2C#N)CO1 6662075 ZDVBJNBZJSFXFE-UHFFFAOYSA-N 359.407 2.319 30 40 FEEB C=C1CN2C(=O)[C@@](NC(=O)c3ccc(C)cc3)(C(F)(F)F)N=C2S1 4721653 SYRYREMSLCSFFQ-AWEZNQCLSA-N 355.341 2.442 30 40 FEEB CCOC(=O)c1cc(S(=O)(=O)Nc2c(C#N)ccc(F)c2F)cn1C 95944153 DICUHKUMWXQYAG-UHFFFAOYSA-N 369.349 2.152 30 40 FEEB C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)c2cccs2)c1 32842996 MQVBBHHOLZNADV-ZDUSSCGKSA-N 362.476 2.493 30 40 FEEB Cn1ncc2c(NCCCc3nn(-c4ccccc4)c(N)c3C#N)ncnc21 32827748 PYLGPCMYXKYQBW-UHFFFAOYSA-N 373.424 2.048 30 40 FEEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 4944629 RNCINSHWJTZWIQ-LLVKDONJSA-N 371.418 2.261 30 40 FEEB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 58215395 ALEMTQXHWQVQHS-OXJNMPFZSA-N 368.437 2.116 30 40 FEEB Cc1ncc2c(n1)[C@@H]1CN(C(=O)C3(C#N)CCCC3)C[C@H]1N(CC1CC1)C2 1565555202 VVGDUZTWOGBNMA-QZTJIDSGSA-N 365.481 2.389 30 40 FEEB COc1ccc(C(=O)O/N=C2\CCS(=O)(=O)c3sccc32)cc1 1393078 YGEOTMZIYIVDOT-DTQAZKPQSA-N 351.405 2.495 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccccc3)CC2)cc1 58122859 YBTOEKOSGJCKBR-UHFFFAOYSA-N 371.418 2.064 30 40 FEEB CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2339026 AXEUGPWKZYBBST-CQSZACIVSA-N 354.410 2.417 30 40 FEEB C=CCN(CC=C)C(=O)[C@H](C)n1nc(-c2c(C)nn(C)c2C)ccc1=O 72339966 MMJOOSFGOOTOTA-HNNXBMFYSA-N 355.442 2.022 30 40 FEEB C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2S(=O)(=O)c1ccc(F)cc1 96082491 QKTRZPFMPHOOOW-RRQGHBQHSA-N 355.431 2.196 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 225478686 QGZKBOSKUWSQLV-MRXNPFEDSA-N 361.405 2.373 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@@H]2c2ccccc2)cc1 103581424 JUFANHLDTUTARZ-GROYHEBESA-N 353.374 2.109 30 40 FEEB Cc1ccsc1/C(O)=N/S(=O)(=O)c1cccc(S(C)(=O)=O)c1 54487053 YSOSAXIWAGOBDZ-UHFFFAOYSA-N 359.450 2.154 30 40 FEEB C=CCNC(=O)CNC1(c2cccc(Br)c2)CCOCC1 55055540 GVLRDDJIXQSCEJ-UHFFFAOYSA-N 353.260 2.347 30 40 FEEB CCOc1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)cc1 5904716 GEUAGTUZXJEKEH-PGMHBOJBSA-N 367.434 2.343 30 40 FEEB N#Cc1cc(N2CCC(NS(=O)(=O)C3CC3)CC2)nc2ccccc12 1889136245 IAGJEHMHSZFMGY-UHFFFAOYSA-N 356.451 2.157 30 40 FEEB CN(C)c1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N 12421094 OCGKZSLBNFPLEY-UHFFFAOYSA-N 360.439 2.454 30 40 FEEB CC(C)NC(=O)[C@H](C)N1CCN(c2cc(C#N)c3ccccc3n2)CC1 2086868772 GMYUNRZWUPBGEZ-HNNXBMFYSA-N 351.454 2.142 30 40 FEEB Cc1nc2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc2nc1C 6650849 DAGGKPTWVBKPJB-LJQANCHMSA-N 354.410 2.458 30 40 FEEB CC(=O)C(C(=O)Nc1ccc2c(c1)OCO2)=C1SC(C(=O)O)S1 62716063 MVIAGJVACTUZQX-UHFFFAOYSA-N 353.377 2.045 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CN(C(=O)Cc4noc5ccccc45)C[C@H]3C2)nc1 1888914282 YEKSJPSPYOQYBM-HZPDHXFCSA-N 373.416 2.232 30 40 FEEB CN(C)c1ccc(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1 101574586 VKECTNBRWFXAFH-SRZZPIQSSA-N 368.368 2.187 30 40 FEEB COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 25573708 AKKQCXIVZLKTNW-UHFFFAOYSA-N 366.377 2.437 30 40 FEEB C=CC/N=C1/S/C(=C/N(C)C)C(=O)N1S(=O)(=O)c1ccc(C)cc1 105769963 RPASYDYGMNPVTN-YYFCYBIDSA-N 365.480 2.204 30 40 FEEB Cc1ccc(-c2nc(Cn3c(=O)c(C#N)c4n(c3=O)CCC4)co2)c(C)c1 48326915 REGOXKWZGRHVCC-UHFFFAOYSA-N 362.389 2.148 30 40 FEEB C[C@@H](OCC1CC1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 64667577 OOIAGTQUJCCXLK-SNVBAGLBSA-N 352.412 2.032 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4291657 UDJJEEPAQMNLSF-CQSZACIVSA-N 371.462 2.346 30 40 FEEB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)ccc21 5805220 NMQHQGOMXQMXNO-ZDUSSCGKSA-N 369.425 2.339 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1OC 222252331 WMVSNTSUKSHDGJ-CQGASEIVSA-N 352.390 2.091 30 40 FEEB N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)c(F)c1 333421572 JEEROSALESHMIS-MRXNPFEDSA-N 350.397 2.471 30 40 FEEB CC(=O)N[C@@H](/C(O)=N/S(=O)(=O)Cc1ccccc1C#N)C1CCCC1 48506035 GIHAVIFCZVNLBM-MRXNPFEDSA-N 363.439 2.039 30 40 FEEB COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCC(F)(F)F 202758195 DQJDBEPFSOSFSE-UHFFFAOYSA-N 361.125 2.109 30 40 FEEB CCOC(=O)[C@](C#N)(Cc1ccc(C(=O)c2ccccc2)cc1)NC(C)=O 2525829 LGUNMAHNWXJYJY-OAQYLSRUSA-N 364.401 2.422 30 40 FEEB in-vitro CN(Cc1ccccc1N1CCOCC1)C(=O)COc1ccc(C#N)cc1 10900791 WOCLDFRPJTVUEU-UHFFFAOYSA-N 365.433 2.432 30 40 FEEB COc1cc(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)cc(OC)c1OC 4558042 WWRHWXVJUGUCBC-RMKNXTFCSA-N 371.389 2.473 30 40 FEEB biogenic Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(C#N)cc1 408916467 CTOIDVRTVSUSIT-CXUHLZMHSA-N 364.430 2.222 30 40 FEEB C=C(C)CN1CCN([C@@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36366137 DRCLUSVNPBNVQP-GOSISDBHSA-N 371.437 2.196 30 40 FEEB CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(C=O)NC(=O)OC(C)(C)C)cc1 225669234 SIICYELYPCOWAD-VKJFTORMSA-N 367.467 2.222 30 40 FEEB COc1ccc2oc(C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)cc2c1 225803736 PFFGGSPFFZPZJV-CQSZACIVSA-N 364.361 2.397 30 40 FEEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(O)nn1 85474035 NFHNBBSDTKMFMC-UHFFFAOYSA-N 351.284 2.013 30 40 FEEB N#Cc1ccccc1N1CCCN(C(=O)CN2Cc3ccccc3C2=O)CC1 609264517 IEKVLMBNVMDDLJ-UHFFFAOYSA-N 374.444 2.253 30 40 FEEB Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1sccc1C#N 53048770 RUAAIZAJTHQCHZ-UHFFFAOYSA-N 354.391 2.460 30 40 FEEB N#Cc1ncn(CC(=O)N2CCc3sccc3[C@H]2c2cccs2)n1 21915169 XWYFTUICSXMWAS-INIZCTEOSA-N 355.448 2.447 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)COc3cc(F)ccc3F)C[C@H]2C)C1=O 1614935130 PICCTFWDAUDLFF-BFUOFWGJSA-N 364.392 2.227 30 40 FEEB C=CCNc1nc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cs1 10136657 YSOCNSIXFGKVIC-UHFFFAOYSA-N 373.390 2.112 30 40 FEEB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O 3340576 OFFROVCLFPGYDM-FQEVSTJZSA-N 362.389 2.354 30 40 FEEB COc1ccc(OC)c(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 5182938 YRTAFPKEUCGWFP-UHFFFAOYSA-N 364.405 2.307 30 40 FEEB C=CCNCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 6639376 UAPJLXGDTHOLFN-UHFFFAOYSA-N 371.890 2.229 30 40 FEEB CCOc1cc2c(cc1C=Nn1c(O)nc3ccccc3c1=O)OCO2 409357248 HYBPVINIWOWEDR-UHFFFAOYSA-N 353.334 2.112 30 40 FEEB CCN(CC)C[C@H](C(=O)Nc1c(C)cccc1C)/C(C)=N\NC(N)=S 5809928 XHWUYFYYKFGRCQ-JTMDUIFQSA-N 363.531 2.409 30 40 FEEB O=c1[nH]c(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc12 13147160 IOLSBSYNWFYQBI-REZTVBANSA-N 353.294 2.006 30 40 FEEB C#CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1nnnn1C1CC1 72268181 GJNKDZZNZLIMNZ-OAHLLOKOSA-N 366.425 2.321 30 40 FEEB C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 331973834 UUJYNCMJCJBPNF-PMACEKPBSA-N 368.481 2.367 30 40 FEEB CCc1nnc(N/N=C/c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1N 5130233 RRIABCVKWRTOMY-YBFXNURJSA-N 372.433 2.145 30 40 FEEB O=c1[nH]c2cc(Cl)ccc2nc1/C(=N\O)[C@H](O)c1cccc([N+](=O)[O-])c1 17213156 SVSIEPUBEGWJQC-OOWUWCJESA-N 374.740 2.397 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccco2)[C@@H]1c1cccnc1 20218960 GBHGKKULPGZIAM-UYNHHXCZSA-N 367.405 2.214 30 40 FEEB O=C1C(=O)N(CCO)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)c1ccccc1 102863184 MJVFUISPMOZXBD-IBOXJLQUSA-N 368.345 2.009 30 40 FEEB COc1ccc(/C=N/NC(N)=S)cc1COc1ccc2c(c1)OCO2 4740876 MBCOMZLSBBZRSD-UFWORHAWSA-N 359.407 2.170 30 40 FEEB CCN(Cc1ccc(Cl)s1)C(=O)Cn1nc(C)c(C)c(C#N)c1=O 7385324 UEDZZMVLLHBEBW-UHFFFAOYSA-N 364.858 2.495 30 40 FEEB COc1cc(/C=C\C(=O)C(CN(C)C)CN(C)C)cc(OC)c1OC 17139655 FRHCUPRMFQUAAT-HJWRWDBZSA-N 350.459 2.034 30 40 FEEB CSc1nc2c(c(N3CCN(c4ccc(C#N)nc4)CC3)n1)CCC2 1888863927 FWMPCQOMCANSNM-UHFFFAOYSA-N 352.467 2.280 30 40 FEEB CC(C)N1CCN(CC#CCOC2CCN(c3nccs3)CC2)CC1 1889077237 QUAMXAGVWZOJRX-UHFFFAOYSA-N 362.543 2.158 30 40 FEEB Cc1nc(N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)c(C#N)c(C)c1Cl 1889115710 PUABKPYDDIWRLE-GFCCVEGCSA-N 368.890 2.274 30 40 FEEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)C1CCN(CC(F)(F)F)CC1 40153184 KDIBADVHJNFPNH-UHFFFAOYSA-N 369.365 2.211 30 40 FEEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)C1CC1 101300956 JJTZOTSSFWENJK-YXEAAEFPSA-N 370.883 2.351 30 40 FEEB COc1ccc(/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)c(OC)c1 48505083 BLRLYQLJVLEJOV-UHFFFAOYSA-N 360.391 2.410 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)OC)c1 24260669 CPIWPOYPSCWBCE-UHFFFAOYSA-N 374.418 2.190 30 40 FEEB O=C1C(Br)=C[C@H]2[C@H]1[C@@H]1C=C[C@@]2(Br)C12OCCO2 4127765 CWLJXBQYHGTEDC-NKDUMWKVSA-N 362.017 2.157 30 40 FEEB C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 33794381 SESFNUXMUWRAMG-MRXNPFEDSA-N 350.484 2.315 30 40 FEEB OC(=Nc1ccc(N2CCCCC2)nc1)N1CCC(n2cnnc2O)CC1 328929645 HDNUZWAJDYXZSE-UHFFFAOYSA-N 371.445 2.252 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(Cc2ncc(-c3ccc(F)cc3)o2)c1 25965225 XNVYQKFAWOGFAP-UHFFFAOYSA-N 353.309 2.349 30 40 FEEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 25103297 QNARZIUSDSKTIW-UHFFFAOYSA-N 362.349 2.319 30 40 FEEB COC(=O)C1(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)CCCCC1 45793544 MYLALUXMVPVZLK-UHFFFAOYSA-N 370.453 2.162 30 40 FEEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408537625 WKALDIYSUFBKOF-GVAFMPQTSA-N 355.394 2.281 30 40 FEEB C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1 8037735 SSBKKQIQUJECOR-UHFFFAOYSA-N 353.422 2.421 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(C)cc1 32503173 RDYSDJRWVOHEPS-YTRIFDNDSA-N 366.508 2.392 30 40 FEEB COc1c(O)c2c3c(c1O)C(=O)[C@]1(O)C(=C3C(C)=CC2=O)O[C@@H](C)C1(C)C 14615022 PKJJEYCUTMFGJW-FHZGZLOMSA-N 372.373 2.332 30 40 FEEB biogenic N#Cc1ccc(COC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 22369579 HPCVQUHOPQXDBS-UHFFFAOYSA-N 356.422 2.411 30 40 FEEB CCOC(=O)[C@@H](C#N)c1nc(C)nc2c1nnn2Cc1ccccc1Cl 1345203 UNHMPXJRHORWSL-LBPRGKRZSA-N 370.800 2.402 30 40 FEEB O=C1C=C[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]1N2Cc1ccccc1 102873073 WKEXHQLBCFZJRL-RSPOEFSDSA-N 358.397 2.184 30 40 FEEB N#Cc1cccc(S(=O)(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1 58168684 WEVXDVQXLUMKJY-UHFFFAOYSA-N 356.382 2.362 30 40 FEEB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cccc(C#N)c1 14867702 QXPPMBDYVWITCL-UHFFFAOYSA-N 350.421 2.071 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1)N(C)C 16599635 JRDNKDXQNORWAG-LJQANCHMSA-N 366.465 2.215 30 40 FEEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(CC(F)(F)F)CC1 95469871 INVYGKUUCGXMID-UHFFFAOYSA-N 360.767 2.330 30 40 FEEB N#Cc1cc(N2CCCN(S(=O)(=O)C3CC3)CC2)nc2ccccc12 328757246 UWSOHWOUUDDXOG-UHFFFAOYSA-N 356.451 2.111 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CCN(c4nccc(C(F)(F)F)n4)[C@H]3C2)nc1 1889084237 OPLSBLPRMMXRKO-STQMWFEESA-N 360.343 2.477 30 40 FEEB COc1ccc(/C=N/N2CCN(c3ccccn3)CC2)c(OC)c1OC 100573149 KRCPBMPOEZLYRW-KGENOOAVSA-N 356.426 2.264 30 40 FEEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 101314322 UHPOVFFKKXOUGP-QJGXAYKQSA-N 370.471 2.079 30 40 FEEB CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)NC1(C#N)CCCC1 57995998 YNLRYVMPBQVGJV-OAHLLOKOSA-N 364.490 2.318 30 40 FEEB N#Cc1ccccc1-c1ccc(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 12750883 KKSZSICLYKQACN-UHFFFAOYSA-N 374.356 2.442 30 40 FEEB C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 14094729 GJGDYUQFOIRDLU-UHFFFAOYSA-N 354.431 2.339 30 40 FEEB CN(CC(=O)Nc1sccc1C#N)S(=O)(=O)/C=C/c1ccccc1 9501173 OMAYLMKDCKSHJJ-CSKARUKUSA-N 361.448 2.491 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O 218657168 MRGPIPIRANVGLC-DVOMOZLQSA-N 373.858 2.313 30 40 FEEB N#Cc1c(C2CC2)n[nH]c1NS(=O)(=O)c1ccc2c(c1)CCCC2=O 296102723 XJQKYAURRLPASW-UHFFFAOYSA-N 356.407 2.479 30 40 FEEB COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2cccs2)n2nnnc2N1 13123701 WKSLJOOEHUAOQL-AWEZNQCLSA-N 367.390 2.060 30 40 FEEB COc1ccc(/C=C/C(=O)c2c(O)[nH]c(=O)n(-c3ccccc3)c2=O)cc1 17027425 VBYKURYQRSGJAH-FMIVXFBMSA-N 364.357 2.136 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F 101314776 ZMTMOUIRPABKMS-HJUNTIBCSA-N 370.471 2.392 30 40 FEEB COc1cccc(C(=O)N2CCCN(c3nnc(C)c(C)c3C#N)CC2)c1 57142309 AXLAPIGDYPQZHS-UHFFFAOYSA-N 365.437 2.326 30 40 FEEB C=CCn1c(C)nnc1SCCC(=O)NC(=O)NCc1ccccc1 10277852 PSQMKBVJQBVDFX-UHFFFAOYSA-N 359.455 2.281 30 40 FEEB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C#N 3553741 OMKGSBCBKBNTNF-LBPRGKRZSA-N 372.402 2.146 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 5516558 ZRVIAQNUNWXELW-DDVQTAGUSA-N 358.872 2.351 30 40 FEEB N=C(NC(=O)OCCOC(=O)/N=C(/N)c1ccccc1)c1ccccc1 31623845 LRQQIJFHTIXNPQ-UHFFFAOYSA-N 354.366 2.280 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 251716395 DPDGBJDYAWCKRF-IJMXOLJRSA-N 370.471 2.473 30 40 FEEB CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 58183585 KOAUKGLNTSFVCC-AWEZNQCLSA-N 351.472 2.337 30 40 FEEB C=C(C)C[C@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100634790 PQWSQJPHBKAWTP-YKGACUOXSA-N 353.418 2.431 30 40 FEEB CCOC(=O)Cc1csc(N/C=C2/C(=O)Oc3ccccc3C2=O)n1 102968946 KTYXESLULQLQGN-XYOKQWHBSA-N 358.375 2.346 30 40 FEEB N/C(=N\OC(=O)c1occc1Br)c1cccc([N+](=O)[O-])c1 13957924 DUZOTRAYXNJROY-UHFFFAOYSA-N 354.116 2.428 30 40 FEEB N#Cc1cc2c(N)c(C(=O)Nc3cccc([N+](=O)[O-])c3)sc2nc1N 18240953 APORTUROCALLRC-UHFFFAOYSA-N 354.351 2.493 30 40 FEEB C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 84637510 WVIOVIDRPOJEJJ-RHSMWYFYSA-N 367.371 2.428 30 40 FEEB C[C@@H]1CN(/C(O)=N/CCc2cnc(C3CC3)nc2)CCN1CC(F)(F)F 328863573 BDSCRWYFLGQCRG-GFCCVEGCSA-N 371.407 2.379 30 40 FEEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 58181787 JZUDJKUALVBNFW-HXUWFJFHSA-N 368.437 2.164 30 40 FEEB COc1cc(OC)c(OC)cc1/C=N/c1ccc(S(N)(=O)=O)cc1 4293715 MYZBKOOMOROANX-VCHYOVAHSA-N 350.396 2.110 30 40 FEEB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C#N)cc3)C2=O)c1 4498444 XJJHWMIBINECLC-LICLKQGHSA-N 360.373 2.398 30 40 FEEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cnccn1)C2 2056225152 FUGZQXBMKWBFJZ-NRFANRHFSA-N 372.432 2.410 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4ccccc4CC)c(C)cn23)n(C)c1=O 4250603 REBFZMZQGVWULK-UHFFFAOYSA-N 363.421 2.195 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 101312011 SSCTXESVJNZKCE-QLXQBBHQSA-N 352.481 2.397 30 40 FEEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 58192023 KENDSBKJHNXSDP-FQEVSTJZSA-N 360.373 2.276 30 40 FEEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C/c1ccccc1OCC)N2 12807665 GXFAITTXKOJLMA-QBFSEMIESA-N 355.394 2.005 30 40 FEEB C=CCNC(=O)CC[C@@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O 9049577 BPZYUOAKQFOBBQ-INIZCTEOSA-N 372.400 2.057 30 40 FEEB N#Cc1cnc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c(Cl)c1 2087127154 ZZNSQJAZLVKUAU-CYBMUJFWSA-N 370.787 2.070 30 40 FEEB CN([C@H]1CCCN(Cc2ccc(C#N)cc2F)C1)S(=O)(=O)C1CC1 2086889746 WFVXQIXQHPBHPP-HNNXBMFYSA-N 351.447 2.086 30 40 FEEB CCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 40157861 DMVUCXFKIXVQLB-UHFFFAOYSA-N 363.483 2.158 30 40 FEEB Cc1ccc([C@H]2CCC[C@H]2N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)cc1 76063803 HUEOXNJPYKABHO-NVXWUHKLSA-N 352.438 2.037 30 40 FEEB CN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)C(=O)N(C)C1=S 642036 GZSDSAJHSDVULV-UHFFFAOYSA-N 351.387 2.417 30 40 FEEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@H]3c2cccnc2)cc1 21775567 JOEZYRODWKXFMM-LIRRHRJNSA-N 374.404 2.492 30 40 FEEB CC(=O)Nc1ccc(C#CC2(NC(=O)[C@@H]3CCOC3)CCCCC2)cn1 12219572 XHRXUJKFELMIIQ-QGZVFWFLSA-N 355.438 2.247 30 40 FEEB CCCc1cc(N2CCN(CCO)CC2)n2c(nc3ccccc32)c1C#N 20026977 AMWYJACUAQGPQE-UHFFFAOYSA-N 363.465 2.426 30 40 FEEB Cc1c(C#N)c(NC(=O)COC(=O)Cn2cccn2)n(C2CCCC2)c1C 10770837 YYCZGEWXAGISOU-UHFFFAOYSA-N 369.425 2.470 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nc(NC2CC2)c2ccccc2n1 8936371 OOEHEOCVCMGFNJ-UHFFFAOYSA-N 357.439 2.308 30 40 FEEB Cc1ccc2nc3c(cc(C#N)c(=O)n3Cc3ccc(F)cc3)c(=O)n2c1 6809446 FJWIRKLPIXJIIU-UHFFFAOYSA-N 360.348 2.377 30 40 FEEB COc1cc(N2CCCC2)ccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409403720 ATXHUEJXMKUXDN-KODHJQJWSA-N 365.433 2.436 30 40 FEEB CCCCCCCCC(NCCN(C)C)=C1C(=O)N(C)C(=O)N(C)C1=O 97949815 DGEXDHMCQLFXGE-UHFFFAOYSA-N 366.506 2.193 30 40 FEEB N#Cc1ccnc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)n1 1888854310 XIFPQJRFTLZYNF-TXEJJXNPSA-N 360.343 2.335 30 40 FEEB CC(=O)ON1C(=O)[C@H]2[C@H](C1=O)[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104085547 FLPKKKZBPUAXKH-YUGWGPBPSA-N 358.992 2.127 30 40 FEEB C=C(C)CN(CC)C(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 28785395 SXODXPCRYLEKFN-SFHVURJKSA-N 360.454 2.409 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1C 5339625 IKYZGFGSYIWHMY-QPRSIOOTSA-N 352.481 2.315 30 40 FEEB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N(CCC#N)CCC#N 5537686 BRPDMHQLRIJOCG-UHFFFAOYSA-N 366.377 2.463 30 40 FEEB Cc1cc(C)c(C#N)c(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 329477270 UKBSOTQGVKUTMO-HNNXBMFYSA-N 356.451 2.445 30 40 FEEB N#Cc1ccccc1COc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1 55114443 XBZOWUGGDYCIAB-UHFFFAOYSA-N 363.417 2.475 30 40 FEEB N#CCCN1CCN(C2=NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)CC1 13388767 CRINVWTYLNXYIB-QINSGFPZSA-N 371.422 2.096 30 40 FEEB C=CCNC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682362 GTBXQQFGEONCJU-GOSISDBHSA-N 372.446 2.086 30 40 FEEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1 20166890 IAMWWYQCCCLCFD-UHFFFAOYSA-N 358.467 2.006 30 40 FEEB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1/N=C/c1cccs1 11692246 AAQLRWLNCRZNLF-WZIKDTQPSA-N 364.430 2.359 30 40 FEEB O=C1CC[C@@H]([C@@H]2CCC/C2=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1O 4795251 WNGQDXDLPCVOHD-ZLPYBXPWSA-N 362.342 2.411 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 101301132 PDXHWEYEOZMVCB-AZNAFKMUSA-N 358.872 2.351 30 40 FEEB N#Cc1cccnc1N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 24002160 RHEBGZPIUPCYBA-UHFFFAOYSA-N 362.842 2.118 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309635 UJADGYYPDMOHQB-CNQWKDOOSA-N 370.540 2.318 30 40 FEEB CCCCN1C(=O)/C(=N\NC(=S)NC[C@@H]2CCCO2)c2ccccc21 102976585 DNJFJIMWAJHTSS-BPHPCYGNSA-N 360.483 2.181 30 40 FEEB N#Cc1c(NC(=O)COC(=O)Cn2cccn2)sc2c1CCCCC2 11116079 NIOKFCVLTMDJJL-UHFFFAOYSA-N 358.423 2.267 30 40 FEEB COc1ccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2c(C)noc2C)cc1 48491133 NHHYUZZUBCCYTQ-LLVKDONJSA-N 354.384 2.413 30 40 FEEB C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 12900123 NHDJXRCRIOPCQH-BEFAXECRSA-N 363.421 2.229 30 40 FEEB COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)c(OC)c2c1OCO2 35326345 JZIHHRCZXGTQHG-SNAWJCMRSA-N 360.318 2.296 30 40 FEEB Cc1cc(C)n(-c2cc(N3CCN(c4ncccc4C#N)CC3)nc(C)n2)n1 1888870194 WIDNFCJTJJLANV-UHFFFAOYSA-N 374.452 2.181 30 40 FEEB C=CCn1c(SCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 2625560 YKBQUZRMEYPRDP-UHFFFAOYSA-N 351.819 2.072 30 40 FEEB C#CCOc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 100765825 MNIKKYGCHWNPIX-QZTJIDSGSA-N 351.450 2.447 30 40 FEEB N#Cc1c(NC(=O)CN2CCC(C(N)=O)CC2)sc2c1CCCCC2 6552834 NDFYZFKRAKNWIL-UHFFFAOYSA-N 360.483 2.024 30 40 FEEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4cccc([N+](=O)[O-])c4)c3nc12 16741998 QRULWMWETVTPRV-UHFFFAOYSA-N 373.328 2.087 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1 9950276 HIOOAGMJJBXEOL-UHFFFAOYSA-N 363.464 2.430 30 40 FEEB NC(=O)COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 409218575 GFRSWSTYXREJAD-UHFFFAOYSA-N 366.417 2.252 30 40 FEEB N#Cc1ccccc1COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 32139007 OPFCGKDDARHCBD-UHFFFAOYSA-N 363.398 2.052 30 40 FEEB O=c1ccc(-c2ccccc2)nn1C/C(O)=N/c1nc([C@H]2CCCO2)n[nH]1 95475863 USJUTQNGXGHJRN-CQSZACIVSA-N 366.381 2.168 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245229040 LQWWUZDUGQSMCA-LRIJRHOHSA-N 370.540 2.462 30 40 FEEB CN1C[C@@]2(CN(Cc3nccs3)CC[C@@H]2O)O/C1=N/c1ccccc1 257208107 BKULCWXJSIWQEP-LXMAKODISA-N 358.467 2.098 30 40 FEEB N#CC1(C(=O)NCc2cccc(COC3CCOCC3)c2)CCOCC1 609513307 CLLVFAAWIONLFE-UHFFFAOYSA-N 358.438 2.319 30 40 FEEB NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(-n2cccc2)cc1 90743666 ANOIYHQSAZWLMK-UHFFFAOYSA-N 373.412 2.388 30 40 FEEB C/C(=N/NC(N)=S)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 5729472 PMQMUXXSEJJAES-PDGQHHTCSA-N 362.480 2.353 30 40 FEEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1OC 40266868 CHMGAUHHGCQTJI-KRWDZBQOSA-N 368.393 2.021 30 40 FEEB Cc1oc(-c2nc(C#N)c(N(C)C)o2)cc1S(=O)(=O)N1CCCCC1 40267020 WVOOTZKPAHEMNN-UHFFFAOYSA-N 364.427 2.355 30 40 FEEB COC(=O)c1ccc(CCNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 29577797 WYTPLGAPTYNRES-AWEZNQCLSA-N 352.390 2.471 30 40 FEEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccc(O)cc2)CC1 58158640 ZQANXMRIYUBBAA-OAHLLOKOSA-N 350.422 2.413 30 40 FEEB N#CCSc1ccccc1NC(=O)Cn1nnc2ccccc2c1=O 5157505 FUWRSTIFBIRHBN-UHFFFAOYSA-N 351.391 2.046 30 40 FEEB O=S1(=O)N=C(N/N=C/c2cc3c(cc2Cl)OCO3)c2ccccc21 6283392 DOIFOSSUBQGSCQ-REZTVBANSA-N 363.782 2.141 30 40 FEEB O=C1C=C[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]1N2Cc1ccccc1 61916298 WKEXHQLBCFZJRL-OJAHFUOMSA-N 358.397 2.184 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 5442998 GTVQPKCWCMUUMC-WTIYMYMHSA-N 366.508 2.330 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 32634783 WWXQNCRPTGWKLI-WBWGMUNBSA-N 374.434 2.366 30 40 FEEB C=CCCC(=O)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1776001631 CTHXLOCUYINEMB-UHFFFAOYSA-N 368.363 2.148 30 40 FEEB COc1ccc([C@H](CN/C(N)=N/C[C@@H]2CCCO2)N2CCCCC2)cc1 58193458 RLJQDNAZEWVQPH-OALUTQOASA-N 360.502 2.306 30 40 FEEB Cc1nn(C[C@H](O)CO[C@H]2CCCc3ccccc32)c(=O)c(C#N)c1C 45821604 BIBNKVJRNIQUON-LPHOPBHVSA-N 353.422 2.187 30 40 FEEB N#CCCn1ncc(C(=O)N2CCc3c(O)ncnc3C2)c1-c1ccccc1 551906355 LELDMLNQRLJLSQ-UHFFFAOYSA-N 374.404 2.158 30 40 FEEB COc1ccccc1C/N=C\[C@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408529701 CYASTBPTQSUFQK-IXGURIBZSA-N 365.389 2.474 30 40 FEEB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1=O 8943573 JVZAKJHAMCENPG-VQTJNVASSA-N 370.453 2.288 30 40 FEEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCC)cc1)CC(=O)N2 4944385 FWTVWMKXHJNMQT-CYBMUJFWSA-N 355.419 2.368 30 40 FEEB C=C1C(=O)O[C@@H]2[C@@H](OC(=O)/C(C)=C\C)/C(C)=C\C(=O)/C=C(\C)C[C@H](O)[C@@H]12 100061964 SCJIZBIZKYTHRQ-QRVGWKQVSA-N 360.406 2.189 30 40 FEEB biogenic,in-vitro CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 101317395 ZRVIAQNUNWXELW-NZQCTYEBSA-N 358.872 2.351 30 40 FEEB COC(=O)c1ccc(CN(C)S(=O)(=O)Cc2ccccc2C#N)cc1 12808671 FFHFRWBGPGHDTB-UHFFFAOYSA-N 358.419 2.307 30 40 FEEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)c1 4487890 JEKLMIFBLVJBRL-CQSZACIVSA-N 367.405 2.272 30 40 FEEB C=CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)C(=O)NC1=S 4723744 XEVNAXYYHJXAMM-JLHYYAGUSA-N 360.435 2.295 30 40 FEEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(OC)c1 9060798 TYKIVYPNTCCXPB-LSDHHAIUSA-N 352.481 2.346 30 40 FEEB N#Cc1cnc(SCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)nc1N 4935438 SRDGNXIJKVXIPV-UHFFFAOYSA-N 363.786 2.013 30 40 FEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 12850642 XAKKOIBURBWZML-LLVKDONJSA-N 368.418 2.282 30 40 FEEB C=CCN1CCO[C@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@@H]2C1 1565549925 JRVHQXYIBSZIJB-BEFAXECRSA-N 355.438 2.106 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 101318165 LNPWGEOQVXFUBI-WPIBOPBSSA-N 364.492 2.315 30 40 FEEB Cc1c(C#N)c2nc3ccccc3n2c(=O)/c1=C\Nc1ccc2c(c1)OCO2 5020300 NCVPSCXWDSNDEP-GDNBJRDFSA-N 370.368 2.326 30 40 FEEB Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 7378605 VYAGEOXLLSNSBJ-UHFFFAOYSA-N 357.435 2.434 30 40 FEEB COc1ccc(C#N)cc1CN1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 582860700 NXEOSMZCMIJFBK-MRXNPFEDSA-N 353.426 2.316 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2C)n(C)c1=O 10104941 QZTIGBXZOMPOPI-UHFFFAOYSA-N 365.437 2.241 30 40 FEEB C=CCNS(=O)(=O)c1ccc(Br)c(C(=O)OC(C)C)c1 28259345 YJBYGEURWXXAIH-UHFFFAOYSA-N 362.245 2.479 30 40 FEEB C#CCOc1ccc(OC)cc1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 250401920 ZKPZVYHCUZGUSQ-ZQFKZEMUSA-N 364.401 2.238 30 40 FEEB CC(C)=NN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575423025 NKMFGLCTEZBFOR-OAHLLOKOSA-N 372.512 2.185 30 40 FEEB C#CCN(Cc1ccco1)C(=O)c1cc(S(=O)(=O)NCC)ccc1C 60185014 CPBDZLWQJXKWMD-UHFFFAOYSA-N 360.435 2.162 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(OC)c1 101313352 CEYIAPZASAIFQH-BKJYESAMSA-N 368.480 2.097 30 40 FEEB Cc1ccc(/C(N)=N/OCC(=O)Nc2ccccc2N2CCCC2=O)cc1 54179371 DZILUXKNLULKNO-UHFFFAOYSA-N 366.421 2.397 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@H](c3ccc(Cl)cc3Cl)[C@]12C#N 103027973 AWROAYYIUQYNID-UBHSHLNASA-N 351.193 2.428 30 40 FEEB CC(=O)NCc1ccc(/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)cc1 48505772 AJNQNIIBMWUIPJ-UHFFFAOYSA-N 371.418 2.029 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 14136338 XQANSMBPOSJABP-UHFFFAOYSA-N 369.333 2.023 30 40 FEEB COc1ccccc1C(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 6604415 FMGZKPQJBQJNID-HXUWFJFHSA-N 363.373 2.217 30 40 FEEB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 7059928 RFERFYBFOMAVQB-UHFFFAOYSA-N 357.435 2.078 30 40 FEEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(=O)O)cc1 20611663 WQHFNPMNTUUPBO-KRWDZBQOSA-N 367.357 2.358 30 40 FEEB biogenic C=CCN1C(=O)[C@](NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1 19939472 SVMNKKANYGDMAI-INIZCTEOSA-N 351.328 2.246 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(C)cc1 32503304 CHTWOYPTJAOAHM-OVZRNVPMSA-N 352.481 2.002 30 40 FEEB C=C(C)CN1CCN(CCc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 72403639 CLLOCJFVHOHZDD-UHFFFAOYSA-N 372.469 2.490 30 40 FEEB N#Cc1ccc(S(=O)(=O)NCCc2ccc(-n3cccn3)cc2)cc1 14168625 WURDXRSLXTZQHU-UHFFFAOYSA-N 352.419 2.265 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(C(=O)Cc4noc5ccccc45)C[C@H]3C2)nc1 1888914283 YEKSJPSPYOQYBM-IYBDPMFKSA-N 373.416 2.232 30 40 FEEB Cc1ccccc1CN1CCCN(CC(=O)NC2(C#N)CCCC2)CC1 30153901 PWPITNSIABJZND-UHFFFAOYSA-N 354.498 2.455 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H]2CCCc3ccccc32)c1C#N 32776379 VGCINPMUZCBLBK-HNNXBMFYSA-N 354.435 2.236 30 40 FEEB COc1cc(/C(O)=N/S(=O)(=O)c2ccccc2)cc(OC)c1OC 46708547 NHJWELVKAVFNBY-UHFFFAOYSA-N 351.380 2.406 30 40 FEEB COc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1 13942158 FBDYJPIHSKXVJQ-VZCXRCSSSA-N 351.406 2.452 30 40 FEEB O=C(O)c1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408742247 VOHUNUZUPRHOGU-FVOVHSBVSA-N 367.386 2.151 30 40 FEEB Cc1nc(C)c(S(=O)(=O)/N=C(\O)c2ccc([S@@](C)=O)cc2)s1 83150455 HORNEOHMACVMHL-NRFANRHFSA-N 358.466 2.191 30 40 FEEB O=C(CO/N=C/c1ccc(OCc2ccccc2)cc1)N1CCOCC1 9452850 BKCBRSSMBPWSTQ-KGENOOAVSA-N 354.406 2.475 30 40 FEEB O=C1CSC(=S)N1/N=C/c1ccc(I)o1 409350530 YLGPVCIRLRWXRX-XCVCLJGOSA-N 352.178 2.078 30 40 FEEB CCC[C@H](C)NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32777907 HCYDEKAOSJZZGC-AWEZNQCLSA-N 371.441 2.233 30 40 FEEB N#Cc1ccc(CS(=O)(=O)NC(=O)/C=C/c2ccccc2C#N)cc1 42308691 PDQYWZGWRJKVGE-MDZDMXLPSA-N 351.387 2.089 30 40 FEEB Cc1sc2ncn(/N=C/c3ccc(N(C)CCO)cc3)c(=O)c2c1C 24038065 LCMLCAJUXUAMIM-KEBDBYFISA-N 356.451 2.386 30 40 FEEB COc1ccc(Cn2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 2228618 MDIQZFJWLZLTFW-UHFFFAOYSA-N 372.384 2.246 30 40 FEEB C=CCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 12949272 LNHHUGKJAUHJSK-UHFFFAOYSA-N 372.446 2.362 30 40 FEEB NC(=O)c1ccc(CO/N=C(/N)c2cc(Br)cs2)cc1 48640055 MLUGYJCOLXKOEZ-UHFFFAOYSA-N 354.229 2.447 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4248265 OCBBRUHMPQVHLG-CYBMUJFWSA-N 357.435 2.336 30 40 FEEB COc1cc(/C=N/NC(N)=S)ccc1OCC(=O)Nc1ccc(C)cc1 13858362 HJPALVQNWFRKHH-KEBDBYFISA-N 372.450 2.188 30 40 FEEB aggregator COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 104100627 ISDOWDQIDBBNCI-DPEHCCBOSA-N 354.318 2.313 30 40 FEEB Cc1ccc(CNC(=O)Cc2c(C)nc3c(c(O)nn3C)c2C)cc1C#N 1303417714 NOBZDDACQAMDJW-UHFFFAOYSA-N 363.421 2.330 30 40 FEEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(O)C1)C2 585107203 RJPPSIFFGSAOJQ-CPAJTMIGSA-N 364.449 2.077 30 40 FEEB CC(C)(C)c1nc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)no1 40154037 JVLUCRHAPSJRSI-UHFFFAOYSA-N 356.430 2.426 30 40 FEEB COc1ccc(-c2cnc3nc(/N=C/N(C)C)nn3c2/N=C/N(C)C)cc1 17723456 STHVRRJPUDSEFZ-HGEIODPWSA-N 366.429 2.243 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 32504688 CKAKRWCZBZAMKP-WPIBOPBSSA-N 366.508 2.474 30 40 FEEB O=[N+]([O-])c1cccc(/C=N\NC(=S)N/N=C\c2cccc([N+](=O)[O-])c2)c1 33737362 OBVRGSYPWFPNQE-CQRYCMKKSA-N 372.366 2.335 30 40 FEEB CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 6438734 RDHFPMQOAFSZSN-JTQLQIEISA-N 356.245 2.385 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CCN(c4nccc(C(F)(F)F)n4)[C@@H]3C2)nc1 1889084236 OPLSBLPRMMXRKO-QWHCGFSZSA-N 360.343 2.477 30 40 FEEB CCOC(=O)CN(CC(=O)NC1(C#N)CCCC1)Cc1ccc(F)cc1 50964631 UAFKEXHMUJKASG-UHFFFAOYSA-N 361.417 2.143 30 40 FEEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)o1 102730440 CZTOUOXPJYTBSN-GROYHEBESA-N 369.421 2.356 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 101316698 GCPMYUYAAISWPX-LKGOISKRSA-N 352.481 2.431 30 40 FEEB C[C@H]1CCCC[C@H]1N1CNC(=NS(=O)(=O)c2ccc(Cl)cc2)NC1 30874840 YJWQTESXSNWZJV-SWLSCSKDSA-N 370.906 2.373 30 40 FEEB C=CCN1C[C@H]2CN(C(=O)c3csnn3)CC[C@@]2(c2ccccc2)C1 248178416 XDLIRAXVOWNIIO-LPHOPBHVSA-N 354.479 2.440 30 40 FEEB CCOCCC1(CN/C(=N/CCO)N2C[C@H](CC)O[C@H](CC)C2)CC1 1615588432 GRDFFJXEYZUSQR-CALCHBBNSA-N 355.523 2.021 30 40 FEEB N#Cc1cccnc1N1CCN([C@@H](C(=O)O)c2c[nH]c3ccccc23)CC1 32093242 ZRKHEPHTNODFFB-GOSISDBHSA-N 361.405 2.382 30 40 FEEB COc1cc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2cc1OC 1355190 VCXUNHIBBJKQGT-UHFFFAOYSA-N 373.434 2.075 30 40 FEEB CC(=O)OC1=C(Cl)C(=O)C(OC(=O)c2ccccc2)=C(Cl)C1=O 100930710 RWOWDKDRZCNLFH-UHFFFAOYSA-N 355.129 2.459 30 40 FEEB Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C#N)c3)CC2)s1 16926366 ZMMRQMNFISKFQR-UHFFFAOYSA-N 361.492 2.435 30 40 FEEB N#Cc1c(CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)cn2ccccc12 58370068 NAYPQLJAMFYQHB-ZDUSSCGKSA-N 355.423 2.167 30 40 FEEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C1=O 9550349 UBNZTSDQVDRHKX-UHFFFAOYSA-N 350.330 2.419 30 40 FEEB O=S(=O)(/N=C(\O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccnc1 42322028 JFICOONTQWJAAJ-OAHLLOKOSA-N 362.407 2.333 30 40 FEEB C[C@H]1CCCC[C@@H]1N1CNC(=NS(=O)(=O)c2ccc(Cl)cc2)NC1 30874830 YJWQTESXSNWZJV-WFASDCNBSA-N 370.906 2.373 30 40 FEEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1ccccn1 223736321 RSQBYALFQAFAKQ-FXBPSFAMSA-N 370.434 2.377 30 40 FEEB N#Cc1cc(F)c(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)c(F)c1 576124545 WJTCCYAFUMJOBK-QGZVFWFLSA-N 369.371 2.410 30 40 FEEB Cc1c(C#N)c(N2CCC[C@](O)(CC(=O)N(C)C)C2)nc2ccccc12 591618813 VGDWCSBZBDZGOJ-FQEVSTJZSA-N 352.438 2.225 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCCO2 5307249 YWNNDSYGUPRJHY-XZXOBPBMSA-N 358.394 2.069 30 40 FEEB N#Cc1ccc(NCC(=O)NCCC(=O)N2CCc3sccc3C2)cc1 52220724 DDRIEZARUPTVMK-UHFFFAOYSA-N 368.462 2.123 30 40 FEEB Cc1n[nH]c(C)c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 102741346 JNHXOGDHVHIMTI-HVESIFNPSA-N 368.437 2.010 30 40 FEEB O=C1C(=O)N(CCOCCO)[C@@H](c2ccccc2)/C1=C(\O)c1cccs1 102883639 WZUVSBKSPHAPOA-UYTDBDHRSA-N 373.430 2.179 30 40 FEEB N#Cc1ccc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)nc1 58179990 NZEPKDCQVNUXRT-LJQANCHMSA-N 362.481 2.387 30 40 FEEB C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1OC 6077180 SGOQLXWNFXPPOW-UHFFFAOYSA-N 374.466 2.091 30 40 FEEB COCCCn1c(S[C@@H](C)C#N)nc2cc(C(=O)OC)ccc2c1=O 6374421 NQBKQULIKUMWCN-NSHDSACASA-N 361.423 2.224 30 40 FEEB CCc1cccc(CC)c1N1/C(=N/C(C)=O)S[C@@H]2CS(=O)(=O)C[C@@H]21 6658502 CPRPPRMLCKNNJE-PLDZJGDPSA-N 366.508 2.433 30 40 FEEB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/NC(=N)N[N+](=O)[O-])o2)cc1Cl 3093088 FUQYGOOJVDOUBY-OMCISZLKSA-N 366.721 2.456 30 40 FEEB O=C(C[C@@H]1NC(N/N=C\c2ccccc2)=NC1=O)Nc1cccc(Cl)c1 61721244 LGLQRXHEBVKZGS-PFHZTYADSA-N 369.812 2.147 30 40 FEEB COC(=O)c1sccc1S(=O)(=O)/N=C(\O)c1ccc2c(c1)CCO2 48513157 XRMKKRYELPTJHH-UHFFFAOYSA-N 367.404 2.163 30 40 FEEB COc1cc(OC)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 408586894 CVXCNQFYEUMZGH-ZEHSZQAISA-N 360.797 2.498 30 40 FEEB CCOCCCn1c(=C(C#N)C#N)s/c(=C\c2ccccc2Cl)c1=O 96793355 OGMGGNSWODALFM-YBEGLDIGSA-N 373.865 2.016 30 40 FEEB COc1ccccc1N1C[C@H](/C(O)=N/c2nc([C@@H]3CCCO3)n[nH]2)CC1=O 95475694 VDBZGUMRDQJGPD-RISCZKNCSA-N 371.397 2.306 30 40 FEEB CN(C)c1ccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533065 JHYBKXHVKUFWCL-MGBSGCIJSA-N 368.437 2.338 30 40 FEEB N#Cc1ccc(Br)c(CN2CCS(=O)(=O)C[C@@H]2C2CC2)c1 333108312 RNOHBKCXQRWGQM-OAHLLOKOSA-N 369.284 2.330 30 40 FEEB C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 1560411839 OSFLLTPULMHIFQ-PQXSVQADSA-N 373.469 2.347 30 40 FEEB CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)C1(C#N)CCCC1)CC2 1565554181 LPDKAPPBXPVWBW-MRXNPFEDSA-N 361.486 2.194 30 40 FEEB C=CCOc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)cc1 1565553554 DCDFEMVZFJBPLR-GUDVDZBRSA-N 370.449 2.103 30 40 FEEB Cc1cc(NCC2CCN(CC#N)CC2)n2nc(C(F)(F)F)nc2n1 79096179 XSTPQYIHAMGDPU-UHFFFAOYSA-N 353.352 2.099 30 40 FEEB C[C@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 25617676 VNWIXDYJRBVUHG-OAHLLOKOSA-N 371.462 2.398 30 40 FEEB CCOC(=O)c1c(NC(=O)Cn2cnc(C#N)n2)sc2c1CC[C@H](C)C2 12791896 UHZWOEYVXFMYKA-JTQLQIEISA-N 373.438 2.151 30 40 FEEB N#C/C(C(N)=O)=c1/ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31N=2 4339809 OHWJDSSZXTZAES-XBGGRFOOSA-N 360.461 2.404 30 40 FEEB CC(=O)c1cccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)c1 5444086 AFWSHMAZXZWIQX-PGMHBOJBSA-N 365.418 2.147 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccn1 8997675 UDUNVSWUSYSZOZ-IDTYTIONSA-N 357.435 2.126 30 40 FEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O 9834388 BXGLHNMDBCXWHT-LJQANCHMSA-N 369.327 2.486 30 40 FEEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1O[C@H](C)C(=O)O 409009685 HMAAQPCTCPRGFD-NCMFSIOGSA-N 360.326 2.296 30 40 FEEB N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 25375748 NDYWEUATOJDVPG-UHFFFAOYSA-N 374.378 2.039 30 40 FEEB COc1ccc(N2C(=O)C(=O)/C(=C(\C)N)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 100252669 LLFXROGGVAAOLY-YTBHAWNYSA-N 367.361 2.493 30 40 FEEB CCC(=O)Nc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1C 4125496 NNZWYSPODOZCQQ-UHFFFAOYSA-N 370.438 2.318 30 40 FEEB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C#N)c2)c1=O 57485877 QRRRETWRKLSHAO-UHFFFAOYSA-N 368.418 2.145 30 40 FEEB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1C#N 12608327 RZCSTYXJVBZVIL-UHFFFAOYSA-N 365.433 2.432 30 40 FEEB Cc1c(NS(=O)(=O)c2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C 6315575 IZKWRQUOQDCOMK-UHFFFAOYSA-N 368.418 2.157 30 40 FEEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)CNC(=O)CC(C)(C)C)cc1 65763881 IIFBRNCMRQIPCV-UHFFFAOYSA-N 354.428 2.087 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 5490119 PJCZQMMZVJADLU-TWWIOWFMSA-N 356.444 2.227 30 40 FEEB C[C@](C#N)(NC(=O)COC(=O)/C=C/c1c(Cl)nc2ccccn12)C1CC1 5562230 CRJKWCIHJDMMCI-LKGOPFMKSA-N 372.812 2.353 30 40 FEEB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1/C=N/c1cccc([N+](=O)[O-])c1 4738563 RLTRLTDECDOHQO-MRGVZLDZSA-N 370.296 2.335 30 40 FEEB C=CCNc1nnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1 7476009 NRJDNMRMEBHOJT-ZETCQYMHSA-N 369.497 2.416 30 40 FEEB COc1ccccc1/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408741045 NOEFKCWNGOIGNZ-OTGIAGGSSA-N 353.403 2.462 30 40 FEEB C=CCNC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 23236883 FFSXLVAZIIKMJA-UHFFFAOYSA-N 351.453 2.135 30 40 FEEB N#Cc1ccc(OCCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 26485243 UJMMHIBUUKAILU-UHFFFAOYSA-N 353.382 2.062 30 40 FEEB C=CCN1C(=O)C[C@@H](c2cnn(C)c2)C12CCN(c1ccccn1)CC2 96199885 AUFHLJZRBPITAK-KRWDZBQOSA-N 351.454 2.356 30 40 FEEB C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 331973849 UUJYNCMJCJBPNF-VQTJNVASSA-N 368.481 2.367 30 40 FEEB N#CC1(C(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OCc2ccncc2)CCCC1 585108854 WNTGXHOLLHKUEX-OKZBNKHCSA-N 355.438 2.441 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4cccc(C)c4C)c(C)cn23)n(C)c1=O 4370341 OILXZKFGEKQWOF-UHFFFAOYSA-N 363.421 2.250 30 40 FEEB N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 672235 ISAKPYHGYGZBBA-UHFFFAOYSA-N 351.391 2.253 30 40 FEEB C#CCNS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3128175 OCDQWGLACAYBSD-UHFFFAOYSA-N 363.748 2.456 30 40 FEEB COc1cccc(N2CCN(CC(=O)Nc3sccc3C#N)CC2)c1 35889580 XMTCPWCLZQXVFW-UHFFFAOYSA-N 356.451 2.389 30 40 FEEB C=CCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nnc1-c1ccncc1 2663841 VZNDLJTWOVYKJQ-KBPBESRZSA-N 373.482 2.254 30 40 FEEB N#Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1N 4537194 HAJKFADOSNEFFO-UHFFFAOYSA-N 356.436 2.323 30 40 FEEB COCCN(CCC#N)S(=O)(=O)c1ccc(C)cc1Br 71141160 AFUKZQYAXAZENB-UHFFFAOYSA-N 361.261 2.308 30 40 FEEB CCOc1cc(N(C)C)ccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409408408 QIPCWKSUDKJNEI-DSIZOQBWSA-N 353.422 2.292 30 40 FEEB C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@H](C)CC 32777046 KLPDXMJNOWRFOG-OAHLLOKOSA-N 365.547 2.499 30 40 FEEB N#Cc1c(F)cccc1N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 29856676 TVWGTQIQGAKXLE-UHFFFAOYSA-N 363.396 2.256 30 40 FEEB C#CCOc1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1OC 17150117 ODHKWKBHJBTIAQ-ATVHPVEESA-N 362.385 2.477 30 40 FEEB CCOC(=O)[C@H](Cc1ccc(O)cc1)NC1=CC(=O)C(=O)c2ccccc21 100539066 LGGXWQIJJMSYOO-SFHVURJKSA-N 365.385 2.263 30 40 FEEB N#Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2)N2CCCN32)cc1 100793589 KBSZIIDSUPTJLQ-QRVBRYPASA-N 358.401 2.094 30 40 FEEB COc1ccc([C@]2(C)NC(=O)N(CCOc3ccc(C#N)cc3)C2=O)cc1 8889529 XAQGSRLMMPOVBV-FQEVSTJZSA-N 365.389 2.413 30 40 FEEB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)/C(O)=N/S(C)(=O)=O 65764032 JVHCOUZXHXXQSA-KRWDZBQOSA-N 362.451 2.439 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2cccnc2)cc1OC 5408739 ALRYMAALADYCBB-INIZCTEOSA-N 354.362 2.307 30 40 FEEB CCCn1c(N/N=C(C)\C=C\c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 13108163 JTOBARHDOQBEIW-SNOGGGIRSA-N 366.425 2.335 30 40 FEEB CC(C)=NOC1(ON=C(C)C)N=C(N)[C@@]2(C#N)[C@H](C(=O)C(C)(C)C)[C@]12C#N 100242192 XIHJFXWXSRVLBY-VUCTXSBTSA-N 372.429 2.101 30 40 FEEB COC(=O)c1sc2c(c1/N=C/N1C[C@H](C)O[C@H](C)C1)NC(=O)CS2 100933968 IFURXWRPCMPIOV-YJGMGPPYSA-N 369.468 2.348 30 40 FEEB C=C(C)CN(CC)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 63505522 VBPXRNIOWXTGTC-UHFFFAOYSA-N 367.290 2.196 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 4746592 WQXGKQKGHYZGPC-UVTDQMKNSA-N 366.329 2.293 30 40 FEEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\C[C@H]3CCCO3)NC2=O)c(C)c1 7882654 RWKQZKHKTYGNDA-UKRRQHHQSA-N 361.467 2.399 30 40 FEEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=C1C(=O)c2ccccc2C1=O 8053994 VBTJYXUOKIFJNX-CYBMUJFWSA-N 370.430 2.322 30 40 FEEB N#Cc1ccc(C2CCN(C(=O)CCc3cccc4c3B(O)OC4)CC2)cc1 1776002914 LXCBDGDYOBDPOW-UHFFFAOYSA-N 374.249 2.115 30 40 FEEB C[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@]12CCN(Cc1cccnc1)C2=O 1614933063 CQZXRECNKKQKHU-IIBYNOLFSA-N 366.465 2.363 30 40 FEEB N#CC1(NC(=O)COC(=O)C[C@@H]2C(=O)Nc3ccccc32)CCCCCC1 102378004 NBJFLRBXBBMUEL-HNNXBMFYSA-N 369.421 2.388 30 40 FEEB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C#N)c2)c1=O 57477579 UCTUMWKUMHKPLB-UHFFFAOYSA-N 362.389 2.084 30 40 FEEB N=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1nonc1N 2200476 PRBHIHLJYBWENP-ZVBGSRNCSA-N 354.345 2.319 30 40 FEEB C=CCN1CCC(NC(=O)[C@@H](C)n2cc(COc3ccccc3)nn2)CC1 257173075 CBISFCXMMQQZGH-MRXNPFEDSA-N 369.469 2.185 30 40 FEEB CC1(C(=O)NCCn2ccnn2)CCN(c2ccc(Cl)cc2C#N)CC1 587997762 ICVCAGXILPFJAM-UHFFFAOYSA-N 372.860 2.226 30 40 FEEB C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C=O 5663266 DJLICGGNASJAQR-ZPOLXVRWSA-N 358.434 2.196 30 40 FEEB in-vitro C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)C=O 17124782 DJLICGGNASJAQR-YMLCXZJMSA-N 358.434 2.196 30 40 FEEB C[C@H](NC(=O)COC(=O)COc1ccc(C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102240090 CBZMLGBXAGAHBT-MBGYTDRXSA-N 356.422 2.421 30 40 FEEB C=CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007576 QEOKXKQKOFGVGW-KRWDZBQOSA-N 362.426 2.018 30 40 FEEB COc1ccccc1NC(=O)[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 12953933 SZLIQBQITVFIJH-HNNXBMFYSA-N 365.437 2.111 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 408724117 FPTNXZGIDJBRLN-AJDWZLQPSA-N 367.361 2.135 30 40 FEEB COc1ccccc1-n1cnnc1SCC(=O)N[C@@](C)(C#N)C1CC1 6082092 PSTHJXBSSPWFNR-KRWDZBQOSA-N 357.439 2.176 30 40 FEEB N#Cc1cncc(S(=O)(=O)NC[C@H]2CCCN(c3ccccc3)C2)c1 589291192 UMWJAGRUVQVYRL-OAHLLOKOSA-N 356.451 2.148 30 40 FEEB CN1C(=O)/C(=C\c2c(O)c3ccccc3n(C)c2=O)C(=O)c2ccccc21 1087348 XTQHDFIGPVLJGJ-PTNGSMBKSA-N 360.369 2.487 30 40 FEEB C=C[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 5530230 KQBJOLMOYBZETE-GFCCVEGCSA-N 356.451 2.447 30 40 FEEB N#Cc1nccnc1N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1 1775974686 LKPXVOMYSFKQFI-UHFFFAOYSA-N 364.796 2.287 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(C[C@H](O)c2ccccc2C(F)(F)F)c1 60522916 GRDRKUIVLNPULV-AWEZNQCLSA-N 366.295 2.259 30 40 FEEB C/N=C1\S[C@@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N1C 2727695 CFINSZKPQOWFIU-QMLLPTRZSA-N 356.245 2.337 30 40 FEEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 32904704 XIKUQYUOWZBRFB-UHFFFAOYSA-N 374.418 2.190 30 40 FEEB C[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC(C)(C)O1 58191950 SAKNFNUNWJUGSB-AWEZNQCLSA-N 353.426 2.182 30 40 FEEB N#Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CC(c3ccccc3)=NO2)cc1 48504015 QHYQPGYHCZLLFG-MRXNPFEDSA-N 355.375 2.397 30 40 FEEB CCOc1cc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)ccc1O 5625440 RXSYFSUZETTWOG-GIJQJNRQSA-N 370.438 2.432 30 40 FEEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(O)c(Br)c1 409344955 JSRYLRHQNFGMRX-UHFFFAOYSA-N 360.167 2.452 30 40 FEEB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)C1(C#N)CCCCC1)C2=O 8352382 BHXMZUKVPRAQDU-IFXJQAMLSA-N 360.458 2.172 30 40 FEEB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2cc(C#N)ccc2F)C1 583618817 OYVSCYSPFAMMMP-ZBFHGGJFSA-N 352.373 2.097 30 40 FEEB CC1(C)OB(C2CCN(C(=O)NCC3[C@@H]4COC[C@@H]34)CC2)OC1(C)C 1776007405 AHOHTOCUSZWFRI-GJZGRUSLSA-N 350.268 2.147 30 40 FEEB CC(C)N1CCN(CC#CCOC2CCN(c3ncccc3F)CC2)CC1 1889098101 NUDULROMXWTLLO-UHFFFAOYSA-N 374.504 2.236 30 40 FEEB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 585149820 PZOOKSZWHKBPFJ-SJORKVTESA-N 353.466 2.479 30 40 FEEB Cc1ccc(/N=C(/N)NC2=N[C@@H](CC(=O)Nc3ccccc3)C(O)=N2)cc1 20101139 VWMDGVNRDRMONI-HNNXBMFYSA-N 364.409 2.254 30 40 FEEB COc1ccccc1[C@H](CNS(=O)(=O)c1cccc(C#N)c1)N(C)C 48333709 IPMNPBLNVXVLHT-KRWDZBQOSA-N 359.451 2.148 30 40 FEEB CCCCCn1c(N/N=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4728994 VDWHFKNAJNOFSP-XDHOZWIPSA-N 354.414 2.060 30 40 FEEB CC1=NN(c2ccccc2)C(=O)/C1=N\OCC(=O)N1CCc2ccccc21 15981503 KOBRUIDBTBXFOQ-QOCHGBHMSA-N 362.389 2.371 30 40 FEEB Cc1nc(-c2cc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)n(C)c2)cs1 84274961 YLLZLKOIACONIX-GOSISDBHSA-N 372.450 2.422 30 40 FEEB CC(C)c1n[nH]c(/N=C(\O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)n1 95472926 UBMLTYREZHSLPS-SNVBAGLBSA-N 353.386 2.446 30 40 FEEB COC(=O)C1=C(C)N/C(=C/c2cc(Br)ccc2OC)C1=O 16606318 UUBCOGLMAOPAEH-YRNVUSSQSA-N 352.184 2.418 30 40 FEEB CCOC(=O)[C@@H](/C=N/S(=O)(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1 17105844 SBMINKWPQIHDMZ-HNMKQIAWSA-N 361.443 2.155 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@H](c3cccc(Cl)c3Cl)[C@@]12C#N 19874892 PAVLOZGXEKMXSF-IACUBPJLSA-N 351.193 2.428 30 40 FEEB Cc1c(C(=O)N(C)C)sc(NC(=O)c2nn(C)cc2Cl)c1C#N 2781057 CEVOSLJFQKFEBS-UHFFFAOYSA-N 351.819 2.269 30 40 FEEB COc1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1OC 100199937 WMVSNTSUKSHDGJ-SZTIYCPPSA-N 352.390 2.091 30 40 FEEB COc1ccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)cc1OC 666720 RDKQLMYKTSKGSD-WOJGMQOQSA-N 359.407 2.119 30 40 FEEB Cc1cc(Br)ccc1NC(=O)CO/N=C(/N)c1cccnc1 54390876 PFXAELCNVUTJAQ-UHFFFAOYSA-N 363.215 2.428 30 40 FEEB N#Cc1ccccc1CSCCNC(=O)c1cnc2ccccn2c1=O 24968934 GVWJOPGIFKVCNS-UHFFFAOYSA-N 364.430 2.229 30 40 FEEB C=CCn1c(SCc2ccccn2)nnc1[C@@H]1CCS(=O)(=O)C1 48311160 YKFPTSDONSZPTK-GFCCVEGCSA-N 350.469 2.054 30 40 FEEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1 408527793 ABTSPXHMZAVVPT-INIZCTEOSA-N 367.361 2.305 30 40 FEEB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(C#N)cc1 12936732 KQOPNHNSGXDVRB-HXUWFJFHSA-N 360.373 2.106 30 40 FEEB COC(=O)c1cc2cc(CN(CCC#N)CCN3CCOCC3)ccc2o1 78969959 NQPWSIWTTXMYGJ-UHFFFAOYSA-N 371.437 2.267 30 40 FEEB C[C@H](CCO)C1(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC1 95986812 OSKUSRWHISPDSB-LLVKDONJSA-N 358.410 2.304 30 40 FEEB CCn1cnnc1N=C(O)c1ccccc1S(=O)(=O)N1CCCCC1 329124487 SIVIHSIAOWCAFE-UHFFFAOYSA-N 363.443 2.109 30 40 FEEB CC[C@H](C(=O)NCC#CCOc1ccccc1C(N)=O)c1ccccc1 85558792 CQLLTBOKYZMKSP-KRWDZBQOSA-N 350.418 2.478 30 40 FEEB O=C[C@H]1O[C@H](c2ccccc2)O[C@H]1[C@H]1O[C@@H](c2ccccc2)O[C@H]1C=O 18119657 GHAPAWIWLGQUGN-ROMHJBHXSA-N 354.358 2.350 30 40 FEEB CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccco1 10331059 JJCFMFFKTSBIMI-CQSZACIVSA-N 360.801 2.162 30 40 FEEB COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)=O 7945865 UOOCUZFTZNUNJB-WOJGMQOQSA-N 362.407 2.241 30 40 FEEB Cc1ccccc1/N=C1\NC(=S)N(CC(N)=O)[C@]12CCOC(C)(C)C2 5752914 NKJBPAXCORNKDS-SFHVURJKSA-N 360.483 2.028 30 40 FEEB CCn1c(N/N=C/c2c(C)nn(C)c2F)nc(=O)c2c(C)cc(C)nc21 252490302 KONKXMHNJVRSES-UFWORHAWSA-N 357.393 2.055 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C(F)(F)F)c1 599515975 ZWMITPJQRUUJIO-ZKYQVNSYSA-N 360.357 2.111 30 40 FEEB CCc1nnc2n1N(C(C)=O)C(c1ccc([N+](=O)[O-])cc1)=C(C(C)=O)S2 4518269 QKJZOPGUFWKACB-UHFFFAOYSA-N 373.394 2.297 30 40 FEEB N#Cc1cc(C#N)c(SCC(=O)N2CCc3sccc3C2)nc1N 14140653 MKEIRXADKUSAKU-UHFFFAOYSA-N 355.448 2.146 30 40 FEEB C/C(=N\N=C(/N)c1nonc1N)c1ccc(OCc2ccccc2)cc1 4616564 UFZZUWPYNIMKEV-CIAFOILYSA-N 350.382 2.360 30 40 FEEB COc1ccc(C(=O)COC(=O)COc2ccccc2C#N)c(OC)c1 5861317 DHTMPYZRPGFODI-UHFFFAOYSA-N 355.346 2.380 30 40 FEEB C=CCN1C(=O)/C(=C\N(C)C)S/C1=N/S(=O)(=O)c1ccc(C)cc1 9667556 VXYSZYLGRJOVHG-YYFCYBIDSA-N 365.480 2.204 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/Cc3ccccc3)C2=O)cc1 408537281 UYBGGYWJKTZTSZ-DDLUMYACSA-N 351.362 2.165 30 40 FEEB O=C(c1ccccn1)N1CCN(/C(O)=N/[C@H]2CCc3ccccc3C2)CC1 328797858 FOWYYEHKKQDSTF-SFHVURJKSA-N 364.449 2.311 30 40 FEEB COc1cc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 1090361 GIDYOVGCUFSKBS-VCHYOVAHSA-N 350.396 2.110 30 40 FEEB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)o1 51163208 PUDQKXFGHYTAKO-UHFFFAOYSA-N 373.434 2.043 30 40 FEEB C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OCC#N 3340774 JHTHJMOAQXUBRQ-ZETCQYMHSA-N 370.736 2.092 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1oc2ccccc2c1CSC 3552749 LDNCHXOQMDXVPB-UHFFFAOYSA-N 362.407 2.464 30 40 FEEB C=CCNC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 33325667 KRVBOHNWKHCIDD-MRXNPFEDSA-N 373.478 2.442 30 40 FEEB N#Cc1ccc(CS(=O)(=O)NC(=O)COc2ccc3c(c2)CCC3)cc1 42308272 BYBPMVHWFHGNHU-UHFFFAOYSA-N 370.430 2.072 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 101310757 YFFFKJDGVICJRS-BKJYESAMSA-N 352.481 2.315 30 40 FEEB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccc(C#N)c1 12555645 HZZKTMXLCIAFNA-UHFFFAOYSA-N 371.462 2.216 30 40 FEEB NC(=O)C(/N=N\c1ccccc1C(=O)O)=N\Nc1ccccc1C(=O)O 104226503 OHRQBJCZZMUBPL-WQNZTSTFSA-N 355.310 2.078 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(Cc2cc(Cl)c3c(c2)OCCCO3)c1 22868484 QSOZRTZWZSSXTR-UHFFFAOYSA-N 374.780 2.370 30 40 FEEB COc1ccccc1N(CCC#N)C(=O)COC(=O)c1c(C)noc1C 3364615 YLKALJDBWJRWGD-UHFFFAOYSA-N 357.366 2.404 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)NC(=O)OC(C)(C)C)cc1 48584694 ZYBWUMUHMNQDIU-JTQLQIEISA-N 358.416 2.254 30 40 FEEB COCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2O)c(=O)c1C#N 409412578 XWPWBIYKZLZJNZ-UHFFFAOYSA-N 361.785 2.173 30 40 FEEB CCN(CC(=O)NC(C)C)C(=O)CCCOc1ccc(C#N)cc1OC 32930923 XAMAARCOGNQZPY-UHFFFAOYSA-N 361.442 2.099 30 40 FEEB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cccs1 33959653 CMLROMSKJPUSMY-FYJGNVAPSA-N 373.486 2.206 30 40 FEEB CC(=O)N1CCCN(C[C@H]2CCCN(c3cccc(F)c3C#N)C2)CC1 571971189 BDGFQYMNZLOXJQ-QGZVFWFLSA-N 358.461 2.468 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 32502856 BJZIXEKHKHOZPU-QJGXAYKQSA-N 370.471 2.473 30 40 FEEB COCc1nn2c(nnc3c(=O)n(CCS)ccc32)c1-c1ccccc1 40391113 WYMLYHZGLAIQPY-UHFFFAOYSA-N 367.434 2.182 30 40 FEEB COc1cccc(/C=N/n2nnnc2N)c1OCc1ccccc1Cl 1005398 OUKKCKOGGVBSCZ-DJKKODMXSA-N 358.789 2.379 30 40 FEEB CO[P@@](=O)(O)/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1564868 JDDDOMYDORMKPB-FOCLMDBBSA-N 368.351 2.467 30 40 FEEB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 31812273 JLPHOQCAYMHLOY-ZDUSSCGKSA-N 370.376 2.193 30 40 FEEB COc1ccc(C2=[N+]([O-])[C@@](C)(C(=O)c3ccccc3)N(O)[C@H]2OC)cc1 108982413 LOAJGWMQBKWIDB-RBUKOAKNSA-N 356.378 2.271 30 40 FEEB C=CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c1 55724728 YCTDHWIYVHGMMX-CQSZACIVSA-N 352.456 2.252 30 40 FEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2cnccn2)CC1 11545073 FVFDGVHJLXFNOU-UHFFFAOYSA-N 362.393 2.003 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)C)cc1 709660 QOURURWKGDEAJO-LJQANCHMSA-N 372.465 2.427 30 40 FEEB C=C(C)C[C@H]1N(Cc2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4720659 CYOKHXZXJDYXLW-ZIKOTGLESA-N 369.417 2.397 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H](COc3ccncc3)C2)cc1 1775971015 LQFJEBROAMWWLO-INIZCTEOSA-N 357.435 2.433 30 40 FEEB C[C@](C#N)(NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1)C1CC1 22797745 UNXGYINERBQWTK-WKOQKXSESA-N 352.482 2.126 30 40 FEEB NC(=O)C(C(=O)[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1)=C1SCCS1 51329871 HWIIMFWJKAWMBD-GHMZBOCLSA-N 350.421 2.444 30 40 FEEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(CN2CCCCC2)o1 409142147 BPNSSLVLLOMRJM-VDABXWBLSA-N 353.422 2.407 30 40 FEEB COc1cc(/C=N/NC(N)=S)ccc1OCc1ccc([N+](=O)[O-])cc1 5357669 QINUHLFDBCFLJZ-GIJQJNRQSA-N 360.395 2.350 30 40 FEEB N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](O)c1ccc(Cl)cc1 78601780 JBFGUSGZBZAZQK-OAHLLOKOSA-N 351.815 2.005 30 40 FEEB Cc1cc(C)cc(C(=O)NCC(=O)NCCNc2cccc(F)c2C#N)c1 47332680 YUBQHKYRMCTVCV-UHFFFAOYSA-N 368.412 2.272 30 40 FEEB COc1ccc(C(=O)C[n+]2cnn(CC(=O)c3ccc(C)cc3)c2)cc1 1834149 BPVYSUVZLXEVPR-UHFFFAOYSA-N 350.398 2.253 30 40 FEEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccnc1 13127382 OPUAMKCCTJDUPE-QGZVFWFLSA-N 366.421 2.007 30 40 FEEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@@H]4CO)[C@H]3[C@@H]3O[C@@]132 4028563 WVSCSEOKEKFLHB-GNFKLFASSA-N 363.498 2.359 30 40 FEEB biogenic CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC 5516465 YIBWZEGRKSPOEF-FONDOFKWSA-N 368.480 2.097 30 40 FEEB Cc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)c1 42276462 AGPOJCWPGVVPON-CQSZACIVSA-N 358.419 2.448 30 40 FEEB Cc1cc(C)nc(N/C(=N/C(=O)c2cccs2)NCCc2c[nH]cn2)n1 17075739 AYQBQNWMWHFEAP-UHFFFAOYSA-N 369.454 2.319 30 40 FEEB N#Cc1ccccc1S(=O)(=O)N[C@@H](c1cccnc1)C1CCOCC1 225624975 KSWPOAYJRZBPRE-GOSISDBHSA-N 357.435 2.399 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 40073857 XOAJAPSMCMYZCP-OAHLLOKOSA-N 357.454 2.436 30 40 FEEB CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=N/O)c3ccccc3)cc21 100088129 IWKXBHQELWQLHF-CAPFRKAQSA-N 358.423 2.431 30 40 FEEB in-man Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 58193544 GOZCKFMOMUJVNJ-UHFFFAOYSA-N 373.434 2.043 30 40 FEEB CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C1CCCCC1 58217507 KLUOTAWYSMKMKQ-FQEVSTJZSA-N 368.437 2.116 30 40 FEEB N#Cc1c(NC(=O)COC(=O)c2ccc(O)cc2O)sc2c1CCC2 23074818 BBIVNQCJOFZRKM-UHFFFAOYSA-N 358.375 2.315 30 40 FEEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 2274266 LZLIOJWOCCZHBC-SOUVJXGZSA-N 365.437 2.153 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(Cl)c1 5489108 YGPQNTCBJQJNRN-ZHNYTEGSSA-N 358.872 2.270 30 40 FEEB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@](C)(C#N)C(C)C)C1=O 8943580 JVZAKJHAMCENPG-UXHICEINSA-N 370.453 2.288 30 40 FEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218092539 SYKBMHDJNOROTH-NUJGCVRESA-N 357.387 2.229 30 40 FEEB CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCO[C@H](C#N)C1 282781278 FDLPHQNUZJPQQD-QZTJIDSGSA-N 356.470 2.221 30 40 FEEB CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 50357396 MPOSJFXVRKVRSK-SNVBAGLBSA-N 353.762 2.413 30 40 FEEB O=C(C[C@H]1NC(N/N=C\c2ccccc2)=NC1=O)Nc1ccccc1Cl 61721975 RHTFDRMGCUUEOF-UWOKGBPVSA-N 369.812 2.147 30 40 FEEB C=CCOc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 408708730 LQLOTQRZURSTGR-UHFFFAOYSA-N 354.362 2.235 30 40 FEEB N#Cc1nccnc1N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775971368 NGSJMVQMOMTYBM-UHFFFAOYSA-N 358.405 2.413 30 40 FEEB COc1ccc(C2=[N+]([O-])[C@](C)(C(=O)c3ccccc3)N(O)[C@H]2OC)cc1 13098299 LOAJGWMQBKWIDB-OALUTQOASA-N 356.378 2.271 30 40 FEEB O=C(CCC1=CCN(C(=O)c2ccc(Nc3nccs3)nc2)CC1)NO 643551179 ZOOSXNFRIFHBRX-UHFFFAOYSA-N 373.438 2.340 30 40 FEEB C/N=C1/S[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1C 100865697 GZDXQLGJOMHQAV-FRTIYWTKSA-N 362.480 2.387 30 40 FEEB CN(C)C(=O)COc1ccccc1C(=O)N(C)Cc1cccc(C#N)c1 25103419 YYEXJVCXCPNTLM-UHFFFAOYSA-N 351.406 2.297 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 5369963 SSCTXESVJNZKCE-QPRSIOOTSA-N 352.481 2.397 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 14200988 JXZSIECBYDSYKM-UHFFFAOYSA-N 356.451 2.081 30 40 FEEB N#Cc1cccc(OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 7734795 PPNAWGWQIXZBOP-UHFFFAOYSA-N 353.334 2.057 30 40 FEEB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C3(C#N)CC3)cc2)C1 222618376 VSWUUWZIDUMEDO-CQSZACIVSA-N 361.467 2.242 30 40 FEEB C=CCN1CCC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 96157797 LZEGGDBYYMWALA-UHFFFAOYSA-N 352.431 2.015 30 40 FEEB O=C1C(N2CCOCC2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 1282589 ZGIAVNDKPDSLIA-UHFFFAOYSA-N 360.373 2.011 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 101300343 CEACFUDOXMKWEQ-BLCHQYFCSA-N 356.444 2.227 30 40 FEEB CCOc1cccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1O 4205142 FSYHKMDTIZDZLQ-KEBDBYFISA-N 361.377 2.003 30 40 FEEB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)ccc21 5805221 NMQHQGOMXQMXNO-CYBMUJFWSA-N 369.425 2.339 30 40 FEEB COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O[C@H](C)C(=O)O 409015626 RQKQVASUGJORRG-JZOCJUILSA-N 368.345 2.177 30 40 FEEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C/c1ccc(SC)cc1)N2 7713267 NJPGYKJTCQSBJF-RAXLEYEMSA-N 357.435 2.328 30 40 FEEB N#CCc1nc2ccccc2n1C(=O)CCN1C(=O)c2ccccc2C1=O 12562754 FASSENHNHNNAJN-UHFFFAOYSA-N 358.357 2.429 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC 5516463 YIBWZEGRKSPOEF-HOUNFRTDSA-N 368.480 2.097 30 40 FEEB COc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccc(C#N)cc1)COC3 96112578 NSXDZYNRBIMVCR-HNNXBMFYSA-N 362.389 2.418 30 40 FEEB biogenic,in-vitro C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)s1 5784364 CQMMESHYWGRHIM-VIFPVBQESA-N 363.468 2.354 30 40 FEEB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1C 12918423 IGPBGVIWXXKWBG-LBPRGKRZSA-N 369.377 2.474 30 40 FEEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1n[nH]c2ccccc12 5360838 DFGWLJWYMKTMGL-UHFFFAOYSA-N 365.305 2.138 30 40 FEEB Cc1ccc(N2C(=O)[C@@H](/C=N\Nc3ccccc3)C(=O)NC2=S)cc1 408757166 VFCOSZIVFFMNNJ-VUQQOUJSSA-N 352.419 2.457 30 40 FEEB C[C@H](NC(=O)OC(C)(C)C)/C(=N/NC(N)=S)C1SCCCS1 210392762 JPBMPSWLJDEUFX-URMOPJCGSA-N 364.562 2.285 30 40 FEEB COc1ccc(-c2c3c(=O)n(CCS)ccc3nc3ncnn23)cc1 38828732 HVGZSIPZZWFHOR-UHFFFAOYSA-N 353.407 2.045 30 40 FEEB N#CC1(C(=O)N2CCC3(CC(NC(=O)c4ccncc4)C3)C2)CCCC1 1565552813 XUGXKYOVXZSBKN-UHFFFAOYSA-N 352.438 2.276 30 40 FEEB C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 46830041 SFJCJBJSELMNAG-SJLPKXTDSA-N 371.485 2.380 30 40 FEEB N#Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 32915410 BFVYGSVYAUVQAP-UHFFFAOYSA-N 354.797 2.400 30 40 FEEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCCCn1ccnc1 12663447 YPVNDGHUQSAIQK-WHHPXKAQSA-N 373.497 2.390 30 40 FEEB biogenic Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 12920197 WWQPUVSZEGSDJW-UHFFFAOYSA-N 356.451 2.081 30 40 FEEB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCNc2ncccc2C#N)C1 76083106 UXWRWKCOKJBZEW-ZFWWWQNUSA-N 373.457 2.175 30 40 FEEB CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2ccsc2)c1 5560376 SRZASKHZGFXDKE-OQLLNIDSSA-N 368.509 2.319 30 40 FEEB COc1ccccc1C/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408534985 NEKADWMBDBCLJG-SVZNOHIVSA-N 365.389 2.474 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1OC 222252282 WMVSNTSUKSHDGJ-HHSRIZHSSA-N 352.390 2.091 30 40 FEEB N#Cc1ccc(Nc2cnc([C@@H]3CCCCN3Cc3cn[nH]c3)cn2)cn1 585294892 VWXIFTIOOWHZCX-SFHVURJKSA-N 360.425 2.937 30 40 FEEB CS(=O)(=O)Cc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1 12095457 KFYNATVBMNKVHO-UHFFFAOYSA-N 359.403 2.339 30 40 FEEB COC(=O)c1ccc(CCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 29577796 WYTPLGAPTYNRES-CQSZACIVSA-N 352.390 2.471 30 40 FEEB N#Cc1ccc(NCCNS(=O)(=O)c2ccc3ccccc3c2)nc1 32911859 PNFNNHDLUYTHBA-UHFFFAOYSA-N 352.419 2.497 30 40 FEEB CCOc1cc(/C=C/C(=O)OCC(=O)N(C)CCC#N)cc(Cl)c1O 3391261 MBWZCMUROFTTSR-AATRIKPKSA-N 366.801 2.373 30 40 FEEB C[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 24163262 LOBOLXUQVQOMPB-LLVKDONJSA-N 374.374 2.285 30 40 FEEB N#Cc1cc(I)cc(I)c1O 35982997 FNNNLVLLTDINFG-UHFFFAOYSA-N 370.915 2.473 30 40 FEEB CN(C)CCOc1ccc2c(c1)C/C(=C\c1ncc([N+](=O)[O-])n1C)C2=O 1562699 RXKZAWOROTYWDR-JLHYYAGUSA-N 356.382 2.091 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CN(c4cc(C(F)(F)F)ncn4)C[C@H]3C2)nc1 1888854246 NVTIKAGHMWIACO-CHWSQXEVSA-N 360.343 2.335 30 40 FEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N[C@@H]1c2ccccc2C[C@@H]1O 53602064 FRZPYDFJVVDECH-FHLIZLRMSA-N 374.400 2.480 30 40 FEEB COCCn1c(C)cc(C(=O)Cn2c(C)cc(COC)c(C#N)c2=O)c1C 10683044 KDVQMJUKDCSPBE-UHFFFAOYSA-N 371.437 2.122 30 40 FEEB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCC#N)cc3)cc2c1 13720039 SGLYXZUQXIFYPE-UHFFFAOYSA-N 364.357 2.487 30 40 FEEB O=C(C[C@H]1S/C(=N\Cc2ccccc2)NC1=O)NCc1ccccc1 8517087 CEPDXITZCWLMDR-MRXNPFEDSA-N 353.447 2.481 30 40 FEEB O=S(=O)(/N=C(\N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1 6013536 QXILVIYCHQPWDK-WJDWOHSUSA-N 371.673 2.476 30 40 FEEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(OCC)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908886 XQFSBGIWVHRTNS-OXFYSEKESA-N 372.421 2.298 30 40 FEEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccc2cccnc12 8300028 IGNAXEUENHNMHX-BHYGNILZSA-N 357.479 2.410 30 40 FEEB biogenic,in-vitro CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 5376601 TUPHGCOGKPLHKJ-AYGAQVIVSA-N 370.471 2.473 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)NCCCC)cc1Cl 408617537 DBOSNJRNNSQQJQ-UHFFFAOYSA-N 360.863 2.099 30 40 FEEB O=S(=O)(Cc1ccc(F)cc1)NCC#CCN1CCc2ccccc2C1 77197679 OFENBEICFWWLNA-UHFFFAOYSA-N 372.465 2.307 30 40 FEEB CC1(C)OB([C@H]2CCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)C2)OC1(C)C 1776007565 MATQZGPORMTGPH-HNNXBMFYSA-N 370.258 2.418 30 40 FEEB C=CCOc1c(Br)cc(CNc2nnnn2C)cc1OC 7602238 ILVGSBXDFMGTBT-UHFFFAOYSA-N 354.208 2.158 30 40 FEEB CCOC(=O)C1=C2C(=O)NCCN2C2=C(C(=O)CCC2)[C@H]1c1ccccc1 9926623 GQMRRVIQWNECJB-MRXNPFEDSA-N 366.417 2.040 30 40 FEEB CC(C)N/C(O)=N/S(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2 19815472 KUUDCXGUWLYZPK-SCRDCRAPSA-N 352.460 2.283 30 40 FEEB N/C(CN1CCSCC1)=N/OCc1nn(-c2ccccc2)c2c1CCC2 95945052 IBAFSWDKZUUCLM-UHFFFAOYSA-N 371.510 2.199 30 40 FEEB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc(Br)c1OCC#N 96580191 VQQFVGKKWRKBOP-SKDRFNHKSA-N 373.228 2.148 30 40 FEEB CNC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC 44013005 GLFHZYXMHODAOB-UHFFFAOYSA-N 351.358 2.283 30 40 FEEB N#CC1(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)CCCC1 1565552615 POBHEXFPIMNENH-SQNIBIBYSA-N 355.438 2.441 30 40 FEEB C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OCO2 3511730 VFDPQKWLUCJTNU-GFCCVEGCSA-N 352.346 2.149 30 40 FEEB N#CC1(NC(=O)COC(=O)c2cc(Br)ccc2O)CCCC1 5743476 LGWVVOAWGKFKCY-UHFFFAOYSA-N 367.199 2.264 30 40 FEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc[nH]2)c([N+](=O)[O-])c1 5786257 NMVKXUVBOODTLB-GZTJUZNOSA-N 365.415 2.399 30 40 FEEB C[C@@H]1CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NC2CC2)C[C@@H](C)O1 12622687 FLEQTDQLCKIVDS-NFAWXSAZSA-N 365.437 2.129 30 40 FEEB CCO/C=N/S(=O)(=O)c1cc2c(cc1Cl)N=CN=[S@@]2(=O)O 17299570 GRWXTIDWXUZBNC-MKMNVTDBSA-N 351.793 2.067 30 40 FEEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@H]2C1 2086968388 PXGHJTSGZQRKBZ-HDICACEKSA-N 356.433 2.281 30 40 FEEB C#CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100181145 ABSFHWNDWNMKMP-LYDQXWKUSA-N 352.434 2.469 30 40 FEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 24834424 KZZUKBBXUCEUTE-SFHVURJKSA-N 363.333 2.168 30 40 FEEB C=CCn1nnc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)n1 10148961 RHTRJSCQTZKCAG-UHFFFAOYSA-N 366.219 2.418 30 40 FEEB N/C(CC(=O)NC1CCCCC1)=N/OCC(=O)N1CCCc2ccccc21 6046911 PVYPCCNRDMASHB-UHFFFAOYSA-N 372.469 2.094 30 40 FEEB C=C[C@H](C)n1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 13815878 NYBVNMMFZPIZIK-NSHDSACASA-N 371.828 2.449 30 40 FEEB COc1cccc(CC(=O)NCC#CCOc2ccc3c(c2)OCO3)c1 90730879 RPIQCRFCTKJCNF-UHFFFAOYSA-N 353.374 2.165 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 5376575 TUPHGCOGKPLHKJ-KRGDBVFUSA-N 370.471 2.473 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1nc2ccccc2[nH]1 32753007 DJJINBBEEAJKKN-UHFFFAOYSA-N 363.421 2.331 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N 32776343 OIXLEHSJBMYSAN-UHFFFAOYSA-N 358.467 2.127 30 40 FEEB COc1cccc(/C=N/Nc2nncn2N)c1OCc1ccccc1Cl 408974258 YALDYDYCKKHGCA-AWQFTUOYSA-N 372.816 2.679 30 40 FEEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl)C1CC1 5246964 BTWVNBYAMZDJAU-OVJMFRMASA-N 370.883 2.351 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1 32507496 MECVTFMOZDTJFM-KBUSKATCSA-N 362.835 2.100 30 40 FEEB N#Cc1cccc(CN2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)c1 96063385 CEMCBJOJUDTIAK-WOJBJXKFSA-N 352.438 2.205 30 40 FEEB COc1ccccc1OCC#CCNS(=O)(=O)c1ccc(C)s1 90610434 VDQBBEZCWWOHRN-UHFFFAOYSA-N 351.449 2.426 30 40 FEEB C=C(C)C[C@@H]1N(Cc2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100190422 CYOKHXZXJDYXLW-GFZGVUQPSA-N 369.417 2.397 30 40 FEEB CC(C)=NOC1(ON=C(C)C)N=C(N)[C@@]2(C#N)[C@@H](C(=O)C(C)(C)C)[C@]12C#N 100242188 XIHJFXWXSRVLBY-JLZZUVOBSA-N 372.429 2.101 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 101305979 PJCZQMMZVJADLU-BLCHQYFCSA-N 356.444 2.227 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1[N+](=O)[O-] 847088 GMVGNXGARSBWFC-MRXNPFEDSA-N 370.365 2.166 30 40 FEEB CCOC(=O)[C@@]1(CCC(C)C)C[C@@](C)(C(=O)C[n+]2ccccc2)OC1=O 1743554 CDQRNCFTFIEAEK-VQTJNVASSA-N 362.446 2.235 30 40 FEEB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 36068184 WEIBBBKCNUCMLW-SFQUDFHCSA-N 369.421 2.049 30 40 FEEB COC(=O)[C@H]([C@@H](SC(C)=O)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] 2239926 QUDSEISCSVORLY-GJZGRUSLSA-N 364.379 2.441 30 40 FEEB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(C#N)cc1 5860360 QANDGKGSPVWZGJ-GOSISDBHSA-N 369.446 2.273 30 40 FEEB O=S(=O)(O)c1ccc(/N=N/C(=N/Nc2nnn[nH]2)c2ccccc2)cc1 8934380 MUDIQZWOZHISQS-HPHQGHHHSA-N 372.370 2.004 30 40 FEEB C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)n[nH]c1=O 79106704 BBEWXLAMRJPCEE-SECBINFHSA-N 370.381 2.478 30 40 FEEB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 20245645 NANPVYREWPUPHB-UHFFFAOYSA-N 372.450 2.248 30 40 FEEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCC(=O)OC)c(=O)oc2c1 62001651 SUMKKKDTGJFBDG-UHFFFAOYSA-N 373.405 2.278 30 40 FEEB biogenic C=CCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 9227429 VBOUPAKNYJVIHD-UHFFFAOYSA-N 351.255 2.057 30 40 FEEB N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc(NC4CC4)nc3)C2=O)cc1 84383901 JZAZCJVKPNQFJJ-KRWDZBQOSA-N 362.389 2.490 30 40 FEEB CSCC[C@@H](N/C=C1/C(=O)Oc2ccccc2C1=O)c1nc(C)no1 1547201082 VMPHHHBGVHNIAV-CNELAYHGSA-N 359.407 2.448 30 40 FEEB Cc1cc(S(=O)(=O)N2CCO[C@H](Cc3ccccc3)C2)ccc1C#N 331445523 LLJFKPQISAOZDO-GOSISDBHSA-N 356.447 2.499 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccco2)[C@@H]1c1ccco1 20218971 SUCKIQJCHWXLRU-WSGOMPJLSA-N 356.378 2.412 30 40 FEEB O=C(/C=C/c1ccco1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 15887140 PVDGAZNUUFCBPI-CMDGGOBGSA-N 359.407 2.402 30 40 FEEB CCCCCCCCCn1c(SCCO)nc2c1c(=O)[nH]c(=O)n2C 97944170 DMUTUHDVQXLFHD-UHFFFAOYSA-N 368.503 2.258 30 40 FEEB Cc1cnc(Nc2cc(N3CCC=C(CCC(=O)NO)C3)ncn2)s1 643550829 OFPIIBIDHGBBSR-UHFFFAOYSA-N 360.443 2.407 30 40 FEEB COCCN1C(=O)C(O)=C(C(=O)C2CC2)[C@H]1c1ccc(OC)c(OC)c1 16839839 UJNPWXGPPQUSMS-MRXNPFEDSA-N 361.394 2.025 30 40 FEEB Cc1ccc(OCC2CCN(c3nc4c(cc3C#N)COCC4)CC2)nn1 1775965529 BOIMRBDRUUSROT-UHFFFAOYSA-N 365.437 2.420 30 40 FEEB COc1cccc2cc(C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)oc12 225798078 ZCPFEZWUWMLCKY-ZDUSSCGKSA-N 364.361 2.397 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 5271781 YOXNFYGTYFAVEN-VHJJFICUSA-N 352.481 2.431 30 40 FEEB O=S(=O)(/N=C(\O)c1cccc2c[nH]nc12)c1ccc2c(c1)OCCCO2 48536097 NHZHEVUTROOAMC-UHFFFAOYSA-N 373.390 2.418 30 40 FEEB C#CCOc1c(OC)cccc1[C@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O 96193431 BSUNTQKMIPNHTQ-UHFFFAOYSA-N 368.393 2.362 30 40 FEEB COc1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)ccc1F 580757466 RNCFHXOMGOPQHU-UHFFFAOYSA-N 355.373 2.455 30 40 FEEB C#CCN1CCC(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 40158617 JVOCOQLSLHJIPT-UHFFFAOYSA-N 359.514 2.019 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 101313036 UTIBLNXEZQIYCS-BKJYESAMSA-N 352.481 2.315 30 40 FEEB C=CCNC(=O)[C@@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 27543589 WUDYMNPSLKBGSK-CYBMUJFWSA-N 356.392 2.303 30 40 FEEB CCN1CCN(c2ccc([N+](=O)[O-])c(N/N=C3/CN4CCC3CC4)c2)CC1 20437028 ASUGNWVAWCGHLQ-UZYVYHOESA-N 372.473 2.230 30 40 FEEB N/C(CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)=N/O 4284577 ZXRCECHMLMHINO-UHFFFAOYSA-N 357.819 2.260 30 40 FEEB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)COc1ccccc1C#N 6578929 LYRXNRUEZNKPAB-CQSZACIVSA-N 350.374 2.458 30 40 FEEB C=C1C(=O)O[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C(C)=CC(=O)C=C(C)C[C@H](O)[C@@H]12 585660644 SCJIZBIZKYTHRQ-UDCCHDTESA-N 360.406 2.189 30 40 FEEB biogenic,in-vitro COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2cccc(OC)c2)NC(=O)N1 101421077 GUMQTMFCHOHUCK-INIZCTEOSA-N 366.373 2.359 30 40 FEEB CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)c1 6819969 DQUZRLXHEYWQCK-JDSLSITLSA-N 357.406 2.341 30 40 FEEB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)N(C)CCC#N 3378337 NMWKWQBJZUBKFQ-UHFFFAOYSA-N 360.801 2.363 30 40 FEEB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccc(C#N)cn2)cc1 583616032 DROIQMAFRSYBSA-QUCCMNQESA-N 351.406 2.474 30 40 FEEB CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CCN(C)CC1 12692981 PZTABEZLRXGXSV-KGENOOAVSA-N 358.364 2.241 30 40 FEEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 16741147 KMEWTSGLBSLLAB-SZGQWAQFSA-N 352.481 2.252 30 40 FEEB C[C@@H]1CN(Cc2ccc(C(=O)N3CCSC[C@H]3C#N)cc2)C[C@@H](C)O1 108162756 PAURRBJAQBJUQW-IIDMSEBBSA-N 359.495 2.377 30 40 FEEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(O)c(OC)c1 5045096 XZHGIKYKTUSZKE-INIZCTEOSA-N 373.361 2.219 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 408723918 AIPAECZIXLLPRE-ZRGQXXONSA-N 355.350 2.135 30 40 FEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O 409408901 SAESFGPIVOJJMQ-QQXRRDQMSA-N 361.741 2.095 30 40 FEEB COc1ccc(C(=O)[C@@H]2C(C#N)(C#N)[C@@]23CC[C@H]2CO[C@H]3O2)cc1OC 105689540 DGCMRHAWYXCCBH-JTZSMWBOSA-N 354.362 2.072 30 40 FEEB biogenic C=CCn1c(N)c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc21 2290894 HUOKONIPNSYRAG-LBPRGKRZSA-N 351.410 2.262 30 40 FEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cccc([N+](=O)[O-])c1 408535891 OWONSMCLZNLGKC-LWWSYDQCSA-N 370.365 2.180 30 40 FEEB CN1/C(=C\C(=O)CN2CCN(C(=O)C3CC3)CC2)C(C)(C)c2ccccc21 13427707 STCHEGBUNAYNGE-ZHZULCJRSA-N 367.493 2.421 30 40 FEEB Cc1nc(C(F)(F)F)ccc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 95953105 JPVDPRJEIUZRKD-UHFFFAOYSA-N 369.324 2.399 30 40 FEEB CCOc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409358560 LWYDJUFMKCOJBW-UHFFFAOYSA-N 354.322 2.291 30 40 FEEB C=C(C)CN1CCN([C@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36352734 XNSGYLJDVYKUHB-SFHVURJKSA-N 371.437 2.196 30 40 FEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)Cc1ccc(Br)cc1)C2 225682573 WSRNEVWGACFFDQ-UHFFFAOYSA-N 372.222 2.136 30 40 FEEB COc1cc2c(cc1C/N=C(/O)N1CCOCC(F)(F)C1)O[C@H](C)C2 329613677 DXRYUNUNZFZHST-LLVKDONJSA-N 356.369 2.400 30 40 FEEB C=CCn1cc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c(C)n1 12122470 JIMMJDKXAPAFAN-UHFFFAOYSA-N 362.437 2.493 30 40 FEEB CN1C[C@@H](NC(=O)c2ccc(C#N)cc2)C[C@H]1c1nc(-c2ccncc2)no1 12529831 FPASRZAUHSSMBQ-IRXDYDNUSA-N 374.404 2.178 30 40 FEEB biogenic,in-vitro CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 17029061 UHPOVFFKKXOUGP-IAOFPLEJSA-N 370.471 2.079 30 40 FEEB COc1cc(/N=C2\SCC(=O)N2C[C@H]2CCCO2)cc(OC)c1OC 36611301 UHJIMNXWEFWISH-NUMWXTGKSA-N 366.439 2.454 30 40 FEEB COc1ccccc1[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)N(C)C 48333710 IPMNPBLNVXVLHT-QGZVFWFLSA-N 359.451 2.148 30 40 FEEB C[C@@H](C/C(O)=N/S(=O)(=O)c1cccc(C#N)c1)NC(=O)c1ccccc1 48598958 VIKLNZBELKVORO-ZDUSSCGKSA-N 371.418 2.412 30 40 FEEB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2ccc(C#N)cc2)cc1 25399042 XNKZAAGKLCNLHO-UHFFFAOYSA-N 374.418 2.044 30 40 FEEB CN(C)c1nc(=NCc2ccccc2)nc(N/N=C/c2ccc(O)cc2)[nH]1 408718282 QLCFHBPEKKCLPV-FYJGNVAPSA-N 363.425 2.123 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 226668984 RLGVJTSLMWJIQA-GWTLXEOCSA-N 351.362 2.290 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(c4cc(C(F)(F)F)ncn4)C[C@H]3C2)nc1 1888854245 NVTIKAGHMWIACO-BETUJISGSA-N 360.343 2.335 30 40 FEEB Cc1ccccc1/C=N\Nc1nc(N2CCCC2)nc(N2CCOCC2)n1 14920764 WEUAAMHRIWDFPK-ZHZULCJRSA-N 367.457 2.063 30 40 FEEB COCCN1CCCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1=O 108535416 BNUIUZYCMNKQAL-UHFFFAOYSA-N 355.438 2.049 30 40 FEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 9834390 XERVLTBNYNVBBI-LJQANCHMSA-N 369.327 2.486 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1OC 222252445 WMVSNTSUKSHDGJ-OTHNLOBOSA-N 352.390 2.091 30 40 FEEB CCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)c(O)c1 5003227 HMGMKGBHYZAOTA-CIAFOILYSA-N 357.414 2.254 30 40 FEEB N#Cc1cccc(C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)c1 1775974224 YQNDHRJPCTVSIH-UHFFFAOYSA-N 374.322 2.461 30 40 FEEB CN1CCCc2cc(CCNC(=O)C(=O)Nc3ccccc3C#N)ccc21 13006776 JHBWWSUXMYNWHG-UHFFFAOYSA-N 362.433 2.238 30 40 FEEB C=CCn1c(C)nnc1SCc1cccc(S(=O)(=O)N(C)C)c1 8936523 SBFQOGVGWRZIKR-UHFFFAOYSA-N 352.485 2.315 30 40 FEEB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc(C#N)cc1 12926450 OJOJFENOAZPMSF-LLVKDONJSA-N 352.350 2.233 30 40 FEEB Cc1nsc(N2CCCN(CC(=O)Nc3oc(C)c(C)c3C#N)CC2)n1 78950466 LNAUGTILEPSRKO-UHFFFAOYSA-N 374.470 2.079 30 40 FEEB C#CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 409404850 MQPVDZFTKSHASL-STEAMIEHSA-N 364.401 2.238 30 40 FEEB CN(c1ccc(OCC(=O)Nc2ccc(CC#N)cc2)cc1)S(C)(=O)=O 224116095 KFJCCBMLXCMZBY-UHFFFAOYSA-N 373.434 2.166 30 40 FEEB C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCOCC1 226278397 RGTOCGQEQCHNIL-UHFFFAOYSA-N 358.316 2.367 30 40 FEEB C#CCOc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc1 19291460 UCSBWPYPTMNDQQ-HTZLVSCSSA-N 351.450 2.447 30 40 FEEB O/C(CN1CCC(Oc2cnccn2)CC1)=N\c1nnc(C2CC2)s1 19658536 ISONIIWAODVQBK-UHFFFAOYSA-N 360.443 2.337 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccnc1 5445171 XROCGWXRWNIVLZ-GHNGSUTGSA-N 365.433 2.455 30 40 FEEB CCOC(=O)C(C(=O)OCC)=C(N)N/N=C/c1ccc(Cl)c(Cl)c1 4694505 SJKBHOIMKSLMIQ-UFWORHAWSA-N 374.224 2.213 30 40 FEEB COc1cc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(C)cc43)c2=O)ccc1O 9165301 IUDGPDBOTBAPDV-AWQFTUOYSA-N 364.361 2.076 30 40 FEEB CN(CCN(CC(=O)NCC#N)Cc1ccccc1)Cc1ccccc1 75104882 VTAWIICTXMHMLT-UHFFFAOYSA-N 350.466 2.260 30 40 FEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)[C@]2(C#N)CO)cc1 218164970 FAHZBRZTEJSCKF-OTWHNJEPSA-N 371.414 2.166 30 40 FEEB COc1cc(OC)cc(N2CCCN(c3ccc(C#N)c(N)n3)CC2)c1 578143661 XVXDDXFJGGNDNR-UHFFFAOYSA-N 353.426 2.269 30 40 FEEB Cc1ccc(S(=O)(=O)OCCN2C(=O)c3ccccc3C2=O)c(C)c1 5555480 MAXKQPGUTKDKTE-UHFFFAOYSA-N 359.403 2.305 30 40 FEEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 15508665 ZFSWPYKAFDLATK-VXGBXAGGSA-N 372.874 2.054 30 40 FEEB CN(C)/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccccc1 5317227 RQBSEBLCGDGHQI-VKZJTJHYSA-N 367.365 2.243 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CCN(C(=O)COc4ccccc4F)[C@H]3C2)nc1 1889146251 PCXWTKKOQSAJCH-RDJZCZTQSA-N 366.396 2.208 30 40 FEEB N#CCCN(C(=O)COC(=O)c1ccc(O)cc1O)c1ccc(F)cc1 3531524 SSAZMEPIRCWQGT-UHFFFAOYSA-N 358.325 2.341 30 40 FEEB O=[N+]([O-])c1ccc(O)c(/C=N\NC(=S)Nc2ccc3cn[nH]c3c2)c1 4822279 HJZPLTSCBOOLQL-IUXPMGMMSA-N 356.367 2.497 30 40 FEEB Cc1csc([C@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 75976670 RTXVBIDAHSSQGJ-ZDUSSCGKSA-N 356.455 2.311 30 40 FEEB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1=O 8943566 JVZAKJHAMCENPG-PMACEKPBSA-N 370.453 2.288 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 5369711 JODBWCZJRQWQKS-SZGQWAQFSA-N 352.481 2.334 30 40 FEEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccnc1)c1ccc(Cl)cc1 6565612 XHXTXPZKHYYZIG-HNNXBMFYSA-N 358.781 2.306 30 40 FEEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCC(=O)O 408930112 SGDSGWRMSDBYES-NZOAFPJWSA-N 350.396 2.081 30 40 FEEB N#Cc1c(N)nc(N2CCOCC2)c(C#N)c1C(=O)c1ccc(Cl)cc1 66088764 SUZKELWENSETGI-UHFFFAOYSA-N 367.796 2.128 30 40 FEEB CS(=O)(=O)N[C@H](CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 225943369 WCJRZEXCOWXOAX-MRXNPFEDSA-N 361.398 2.316 30 40 FEEB O=C1C[C@H](/C(O)=N/c2ncn[nH]2)CN1c1ccc(Br)cc1 23140820 ZTAZKELAYNSOEA-QMMMGPOBSA-N 350.176 2.208 30 40 FEEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O 51316062 JBQQQCUZMKBDQD-UHFFFAOYSA-N 371.343 2.266 30 40 FEEB COc1ccccc1N1CC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 58194801 OCLQDVRARFEOQR-MRXNPFEDSA-N 371.462 2.372 30 40 FEEB N#Cc1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(F)c1 10864441 OBYMFFXSADMXBI-LJQANCHMSA-N 351.337 2.427 30 40 FEEB C=CCc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(OC)c1OCC 4598871 ZFUGOQHMOQJULM-UKTHLTGXSA-N 360.435 2.079 30 40 FEEB COc1cc(/C=N\NC(N)=S)c([N+](=O)[O-])cc1OCc1ccccc1 409215930 CFKPRSCHOFLEEU-NVMNQCDNSA-N 360.395 2.350 30 40 FEEB N#C[C@H](NC(=O)c1cc2n(n1)CCO2)c1ccc(OC(F)(F)F)cc1 570495932 AXSWKGFATOZYGW-LBPRGKRZSA-N 352.272 2.169 30 40 FEEB CCOC[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@H]1c1cnn(C)c1 585655496 RSEJZCZSXSFHDN-HOTGVXAUSA-N 350.426 2.196 30 40 FEEB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 58201666 HKUXOTWOSTUBNQ-KGLIPLIRSA-N 351.472 2.385 30 40 FEEB COCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Br)cc1 5831753 IBSGLTOEHWMFCK-CYBMUJFWSA-N 354.200 2.380 30 40 FEEB Cc1c(C#N)c(NC(=O)CSc2n[nH]c(N)n2)n(Cc2ccco2)c1C 7751806 STHSEVMKZHVUIH-UHFFFAOYSA-N 371.426 2.049 30 40 FEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@]2(C#N)CO)cc1 218164809 FAHZBRZTEJSCKF-QRVBRYPASA-N 371.414 2.166 30 40 FEEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(C)nn(CC)c1C 2770537 ZRINKRDVUCDWOW-MRXNPFEDSA-N 359.426 2.374 30 40 FEEB CCOC(=O)N[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)C(C)C 47139223 CYWIYQXPYDQCJZ-SFHVURJKSA-N 372.469 2.368 30 40 FEEB CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](/N=C\c2ccccc2)[C@H]1O 104169320 OYPGACRUYYAGDH-KBYWKDJWSA-N 369.417 2.321 30 40 FEEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccccc1C(=O)OC 48460592 XOYYTRUATYBCPO-UHFFFAOYSA-N 363.391 2.313 30 40 FEEB C=CCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305636 HEMMHHDQWXZZFA-INIZCTEOSA-N 355.463 2.270 30 40 FEEB C[C@@H](O)CN(Cc1c(O)ccc2ccccc12)C[C@@H](C)OS(C)(=O)=O 4991104 PBYLJDMUBGATNS-ZIAGYGMSSA-N 367.467 2.093 30 40 FEEB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cn2ccccc2c1C#N 58345068 ATDKZNFPBUUYQB-ZDUSSCGKSA-N 366.446 2.410 30 40 FEEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)C2CCCC2)CC1 23057583 ZJMYUGDAXDSNOX-INIZCTEOSA-N 360.502 2.052 30 40 FEEB Cc1sc2ncn(CC(=O)NCCC#N)c(=O)c2c1-c1ccccc1 12934872 HTSMRZBGVBJIRK-UHFFFAOYSA-N 352.419 2.463 30 40 FEEB C=C(C)COc1ccc2c(C)c(CC(=O)N[C@@H](C)C(=O)O)c(=O)oc2c1 6623950 LWPLFJDPIBIWJC-LBPRGKRZSA-N 359.378 2.188 30 40 FEEB biogenic C=CCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC 408701841 GXXYDMVKCPXDAV-UHFFFAOYSA-N 352.456 2.032 30 40 FEEB COc1ccc2nc(Cl)c(/C=N/N[C@H]3CCS(=O)(=O)C3)cc2c1 7982038 HUAMVHLHQMMJRD-OPFCKLNOSA-N 353.831 2.007 30 40 FEEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1OC 409039698 DBFZRXRNUCEQDY-BOQMQCLQSA-N 366.417 2.481 30 40 FEEB C[C@H]1CO[C@@H]2C3=C(C(=O)C=CC3=O)[C@H]3OC(=O)[C@H]4CC[C@H]5[C@H]1CC[C@]25[C@H]43 85776323 QCPDBEXGCHOIDE-ZTBJPARQSA-N 354.402 2.004 30 40 FEEB C=CCNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 224765823 NQJWHIJZGNEFPD-UHFFFAOYSA-N 374.462 2.432 30 40 FEEB Cn1cc(CN2CCC[C@@]3(COCCN(c4cccc(C#N)c4)C3)C2)cn1 96228998 HMUDPVZMUMEADE-OAQYLSRUSA-N 365.481 2.411 30 40 FEEB Cc1nc(C2CCOCC2)cc(N2CCN(c3ncccc3C#N)CC2)n1 2086945977 WYFIGHMUNMCXLS-UHFFFAOYSA-N 364.453 2.272 30 40 FEEB C=CCN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cccs1 2656781 KPABRPHGTXCUPT-UHFFFAOYSA-N 361.448 2.435 30 40 FEEB N#C[C@H](C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1nc2ccccc2[nH]1 2624809 JHWPSDWPELTFGM-HZSPNIEDSA-N 362.389 2.080 30 40 FEEB C#CCOc1cc(Br)c(/C=N/NC(=S)NCC)cc1OC 6843271 UHCOIIILBHCEMX-RQZCQDPDSA-N 370.272 2.288 30 40 FEEB C#CCn1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21 9265284 UPUOTQBVDWEFKD-BOPFTXTBSA-N 370.368 2.336 30 40 FEEB O=S(=O)(/N=C(\O)c1ccnc(Cl)c1)c1ccc2c(c1)OCCO2 54423830 ZWSXPOXHLNTTOM-UHFFFAOYSA-N 354.771 2.200 30 40 FEEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(NC(C)=O)cc1 48420384 IWVWCIOZZQXLBL-UHFFFAOYSA-N 362.407 2.485 30 40 FEEB CCOc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1 5152477 WJTOOMJMZRFLAG-UHFFFAOYSA-N 358.357 2.269 30 40 FEEB Cc1cccc(C)c1-n1nnnc1SCC(=O)NC1(C#N)CCCC1 5391662 KQUQKPHORIYQFR-UHFFFAOYSA-N 356.455 2.324 30 40 FEEB CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)n[nH]c1=O 6482176 YBXDZCKMFFUYDV-UHFFFAOYSA-N 351.819 2.237 30 40 FEEB Nc1ccc(/C=N\N=C2\NC(=O)[C@@H](CC(=O)c3ccccc3)S2)cc1 32594687 KVFXDSNZPRGVAM-IWEBCOIVSA-N 352.419 2.463 30 40 FEEB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1cccc(C#N)c1 222814227 ARSVNPZUMOSZBA-UHFFFAOYSA-N 373.434 2.135 30 40 FEEB CC(=O)N1CCCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 331442345 BMHFCNHBLKYDHX-UHFFFAOYSA-N 367.371 2.321 30 40 FEEB COc1ccccc1-n1nc(C#N)c(N2CCN(c3ccccc3)CC2)n1 256049113 YFIJFOANYKZBCT-UHFFFAOYSA-N 360.421 2.474 30 40 FEEB CCN(CC(=O)Nc1sccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 23486638 AVAGJANNHFBVFU-UHFFFAOYSA-N 367.434 2.317 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F 101314779 ZMTMOUIRPABKMS-QJGXAYKQSA-N 370.471 2.392 30 40 FEEB N#CCC[C@@H](C#N)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O 58179242 JBYZOCSPCCQTNG-PXNSSMCTSA-N 365.437 2.017 30 40 FEEB C/C(O)=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 2310195 HNUHHHYMRCGHNT-UHFFFAOYSA-N 372.399 2.292 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 40049367 NTFRNMNGOVTRQI-QAPCUYQASA-N 360.479 2.393 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@]12C#N 103027968 AWROAYYIUQYNID-XBFCOCLRSA-N 351.193 2.428 30 40 FEEB Cc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 6785580 RDJISHJQWMNZKA-UHFFFAOYSA-N 372.450 2.168 30 40 FEEB C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccnc1 573272355 CFIQKJHRGDBMTP-KXBFYZLASA-N 362.433 2.364 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245229041 LQWWUZDUGQSMCA-XFPAHSSASA-N 370.540 2.462 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc(CNC(C)=O)cc2)cc1 48584067 BHIORBAXQWSBOT-UHFFFAOYSA-N 362.407 2.025 30 40 FEEB CC1(C)Cc2c(sc(NC(=O)C(=O)NCc3ccccn3)c2C#N)CO1 6661855 AEHAJGNIZSBSAB-UHFFFAOYSA-N 370.434 2.121 30 40 FEEB COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 95385802 IBDNKQFYHKTNNK-UHFFFAOYSA-N 351.380 2.406 30 40 FEEB C/C(=N/NC(=S)NNC(=S)N(C)c1ccccc1)c1ccccn1 17220761 YEYJNOULIUIAFD-PDGQHHTCSA-N 358.496 2.196 30 40 FEEB CCCn1c(N/N=C(/C)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 4597027 XOMGSWUFYNCGMO-FBHDLOMBSA-N 374.832 2.323 30 40 FEEB O=C1C(=O)N(CCO)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccccc1 102900262 DRBCHVABALFKMA-UYTDBDHRSA-N 368.345 2.009 30 40 FEEB CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2284758 RQOJLNABKBGWTH-HNNXBMFYSA-N 367.453 2.380 30 40 FEEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCC(=O)O 408751223 XWPOFTFYAJHKMM-LSCVHKIXSA-N 360.326 2.298 30 40 FEEB Cc1cc(C)n(-c2cc(N3CCN(c4ccc(C#N)cn4)CC3)nc(C)n2)n1 1888870175 MUAALLUETNGPMJ-UHFFFAOYSA-N 374.452 2.181 30 40 FEEB N#Cc1cc2c(nc1N1CC[C@@H](COc3ccc4nccn4n3)C1)CCC2 2087044239 BQBDCYIFYABHDI-CQSZACIVSA-N 360.421 2.390 30 40 FEEB C=CCNC(=O)CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 53310012 OFRQLKCEWHGRFA-UHFFFAOYSA-N 361.442 2.100 30 40 FEEB N#CCCN(C(=O)CN1CCN(c2nccs2)CC1)c1ccccc1 35269010 YGBDAJYLBXMKSH-UHFFFAOYSA-N 355.467 2.212 30 40 FEEB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(C#N)c2)cc1 3333763 BNXLDXQOAJESEC-UHFFFAOYSA-N 352.394 2.076 30 40 FEEB COc1ccc(-n2cnnc2SCC(=O)N[C@@](C)(C#N)C(C)C)cc1 3397598 YLDAMVJQNJTYSI-KRWDZBQOSA-N 359.455 2.422 30 40 FEEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)C1CC1 5206124 QOXIKMJPQDGVJB-TWWIOWFMSA-N 370.883 2.351 30 40 FEEB C=C(C)C(=O)Nc1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc1 62001844 HANVSQFUKNDXRD-CABCVRRESA-N 350.422 2.382 30 40 FEEB biogenic Cn1cc(CC(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)c2ccccc21 225798379 ISSOMQBFLKTERX-OAHLLOKOSA-N 361.405 2.062 30 40 FEEB Cc1cccc(OCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1 225481414 UQFIEALDDVDPRG-MRXNPFEDSA-N 352.394 2.106 30 40 FEEB CN1CC[C@@H](N2CCC(/N=C(/O)CCn3cnc4ccccc43)CC2)C1=O 329342729 SSCFYEVVIZQJGO-GOSISDBHSA-N 369.469 2.078 30 40 FEEB O=C1[C@H](/N=C(/O)[C@@H]2CCn3cncc3C2)CCN1Cc1ccc(F)cc1 330158916 QJXKPNFSMXAHSI-RHSMWYFYSA-N 356.401 2.342 30 40 FEEB C=CCNC(=O)[C@@H](CCSC)NC(=O)N1CC(O)=Nc2ccccc21 13569647 QDKRLMUYGRMVSQ-CYBMUJFWSA-N 362.455 2.228 30 40 FEEB CC(=O)Nn1c(CO/N=C(\C)c2ccccc2)nc2ccccc2c1=O 4899224 LPCBKYKDQCKJKP-LPYMAVHISA-N 350.378 2.427 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CN(C)CC(=O)Nc1ccccc1Cl 7017644 FVLCPZUMGNSRDR-KRWDZBQOSA-N 350.850 2.265 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)N1CCN(c2ccccc2F)CC1 7017247 UTYXTJLZJCTGHA-UHFFFAOYSA-N 369.396 2.434 30 40 FEEB Cc1ccoc1C(=O)N1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1 96109111 SRTGTMKXWWFICT-BEFAXECRSA-N 353.378 2.022 30 40 FEEB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(C#N)cn2)cc1 583616030 DROIQMAFRSYBSA-AZUAARDMSA-N 351.406 2.474 30 40 FEEB N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccc(C(F)(F)F)c1 588327636 WJEZFEFBQXXZOW-UHFFFAOYSA-N 365.315 2.389 30 40 FEEB Cc1ccc2ncc(C#N)c(N3CCC[C@](O)(CC(=O)N(C)C)C3)c2c1 591619402 ZSNMKTYULNDBDD-FQEVSTJZSA-N 352.438 2.225 30 40 FEEB C=CCn1c(N/N=C(\C)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 13512424 RJTUWUOICOCBRS-UFFVCSGVSA-N 372.816 2.099 30 40 FEEB N#Cc1cc2c(nc1N1CC[C@H](COc3ccc4nccn4n3)C1)CCC2 2087044238 BQBDCYIFYABHDI-AWEZNQCLSA-N 360.421 2.390 30 40 FEEB CCCCn1c(=O)[nH]c(O)c(C(=O)/C=C/c2c[nH]c3ccccc23)c1=O 18189387 QZXXZNMGLXTQJF-CMDGGOBGSA-N 353.378 2.420 30 40 FEEB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccc(Cl)cc1 59488760 MJBPGZSKCYUAMV-LZYBPNLTSA-N 354.775 2.342 30 40 FEEB Fc1c(F)c(F)c(/C=N/NC(=S)NC[C@@H]2CCCO2)c(F)c1F 5295015 XLZKKHQZHKANFU-MJNDYDEJSA-N 353.316 2.359 30 40 FEEB C=C1CN2C(=O)[C@](NC(=O)c3ccc(C)cc3)(C(F)(F)F)N=C2S1 4721649 SYRYREMSLCSFFQ-CQSZACIVSA-N 355.341 2.442 30 40 FEEB C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 72310620 DZADLXCUVOWGHR-NWDGAFQWSA-N 360.845 2.237 30 40 FEEB COc1cc(/C=C/C(=O)O[C@H](C(N)=O)c2ccccc2)ccc1OCC#N 14712368 BKYOQZNZPYUOIV-RQMBKDMJSA-N 366.373 2.381 30 40 FEEB Cc1cc(-n2c(C)cc(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)c2C)no1 7384750 SODUJJUCKNVJIT-UHFFFAOYSA-N 365.393 2.319 30 40 FEEB O=C(C[C@H]1S/C(=N\C[C@@H]2CCCO2)NC1=O)Nc1ccc(F)cc1F 6671673 GEGBUWNTZKYGRS-GXFFZTMASA-N 369.393 2.060 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCOc1ccccc1 9515322 GUFHWBCVNMNAIM-UHFFFAOYSA-N 353.422 2.381 30 40 FEEB C=CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 408708503 JCQYIPQHZYSPJX-UHFFFAOYSA-N 351.406 2.166 30 40 FEEB C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC)c1C 24009476 YWRWVEHKMWCVTL-ZDUSSCGKSA-N 350.415 2.388 30 40 FEEB N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](O)c1ccc(Cl)cc1 78601781 JBFGUSGZBZAZQK-HNNXBMFYSA-N 351.815 2.005 30 40 FEEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 58192025 KENDSBKJHNXSDP-HXUWFJFHSA-N 360.373 2.276 30 40 FEEB C=CCN1CCN([C@@H](c2ccc(OC)cc2)c2nnnn2C(C)(C)C)CC1 20139499 PIBLNMPQIZSVSU-SFHVURJKSA-N 370.501 2.330 30 40 FEEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(OCC(N)=O)c1 8721501 PSOVJMFDELXIED-IBGZPJMESA-N 367.405 2.312 30 40 FEEB N#Cc1cnc(SCC(=O)Nc2nnc(-c3ccccc3)s2)nc1N 7461977 SFQRJBRLOMJWEP-UHFFFAOYSA-N 369.435 2.180 30 40 FEEB N/C(=N\OC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccc(Cl)cc1 9156367 YWHJDOJXWJKCBL-ZDUSSCGKSA-N 361.785 2.401 30 40 FEEB CC1(C)OB(c2ccc(-c3ncn([C@@H]4CCCCO4)n3)nc2)OC1(C)C 642882577 OBQYFXQQJCQBNJ-HNNXBMFYSA-N 356.235 2.338 30 40 FEEB C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857523401 YDRMSDHDYRAUBR-AWEZNQCLSA-N 356.279 2.302 30 40 FEEB Cc1ccccc1N(CC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 8126333 JPWYWPYOAQNZRK-UHFFFAOYSA-N 357.435 2.466 30 40 FEEB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 12540202 CLPMYDKGPSLCTE-UHFFFAOYSA-N 366.377 2.437 30 40 FEEB CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)C1(C#N)CCOCC1 548681704 LTNCJDVODWXDOL-GJZGRUSLSA-N 365.474 2.439 30 40 FEEB N#CCOc1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 40145468 JAVIKFGNSDWFGM-UHFFFAOYSA-N 364.321 2.330 30 40 FEEB C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181274 KJPJVCQAWZNXEU-QUCCMNQESA-N 355.482 2.281 30 40 FEEB C/C(CC(=O)NCCc1ccccc1)=N\NS(=O)(=O)c1ccc(C)cc1 16957734 OYNSBVXFPUVUCQ-LTGZKZEYSA-N 373.478 2.398 30 40 FEEB C=CCNc1nnc(SCC(=O)NC(=O)NC2CCCCC2)s1 7735699 IHIIWFFXPUMDBE-UHFFFAOYSA-N 355.489 2.387 30 40 FEEB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccccc1Cl 59488761 OWHZIJWDNAFBPJ-LZYBPNLTSA-N 354.775 2.342 30 40 FEEB COc1cccc(C(=O)O/N=C(\N)Cn2nc(C(F)(F)F)cc2C)c1 36612086 OLXFOXCPCGNHHF-UHFFFAOYSA-N 356.304 2.348 30 40 FEEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1N 18191093 AHZBWQAMQXSCPG-UHFFFAOYSA-N 354.351 2.046 30 40 FEEB COc1ccc(C2=NN(C)C(=N)/C2=N/Nc2cccc(C(=O)O)c2)cc1 3767635 AMTWANRIVHQVOT-RWGRRXIQSA-N 351.366 2.488 30 40 FEEB CN(C)c1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537058 ULOQAYYWAVUZFY-AWEZNQCLSA-N 368.368 2.493 30 40 FEEB Cc1csc(=O)n1CCn1c(C)c(Br)cc(C#N)c1=O 185926359 DXBOPTKUTGYMLX-UHFFFAOYSA-N 354.229 2.023 30 40 FEEB Cc1nc(C(=O)N[C@]23CCC[C@H]2N(c2ncc(C#N)cc2F)CC3)co1 1775990951 INBFUHRDFQANTN-QAPCUYQASA-N 355.373 2.320 30 40 FEEB N#Cc1ccsc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14195283 IDBQQXVTMNZWAC-UHFFFAOYSA-N 371.422 2.289 30 40 FEEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2cc(C3CC3)on2)CC1 240068006 SHGHDDHLKRSZSB-JOCQHMNTSA-N 353.382 2.334 30 40 FEEB Cc1ccc(/N=C(\N)NC2=N[C@H](CC(=O)Nc3ccccc3)C(O)=N2)cc1 20101141 VWMDGVNRDRMONI-OAHLLOKOSA-N 364.409 2.254 30 40 FEEB CN1/C(=C\C(=O)COC(=O)c2nccnc2N)C(C)(C)c2ccccc21 102878447 ZDTXYLWWEIAADV-GDNBJRDFSA-N 352.394 2.096 30 40 FEEB COC(=O)/C(=N\Nc1ccccc1)Sc1nnnn1-c1ccccc1 13658818 YUONOXLMRNCNMU-NBVRZTHBSA-N 354.395 2.353 30 40 FEEB C#CCn1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21 4688074 UPUOTQBVDWEFKD-GZTJUZNOSA-N 370.368 2.336 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3COCc2ccncc2)c1 306124403 BOUZFVFXOAIKFS-IBGZPJMESA-N 363.417 2.401 30 40 FEEB N/C(=N\OC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccc(Cl)cc1 9156366 YWHJDOJXWJKCBL-CYBMUJFWSA-N 361.785 2.401 30 40 FEEB COc1ccccc1N=C[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408534822 MNKMSZGMKAZJLM-PWNZVWSESA-N 355.394 2.281 30 40 FEEB N#CC1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 218151872 GOGLQIDWESQYDM-IAGOWNOFSA-N 352.371 2.389 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)ccc1O 222313381 YTDUBYPQQWZWGR-OTHNLOBOSA-N 352.390 2.178 30 40 FEEB N#Cc1ccc(NC(=O)COCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 199409815 MGEVQFMJEPTQTB-UHFFFAOYSA-N 354.322 2.060 30 40 FEEB C=CCN1C[C@@H]2CN(Cc3ccc4c(c3)OCO4)CCC[C@]2(C(=O)O)C1 96064226 PGXJIMCLXOQFDS-JXFKEZNVSA-N 358.438 2.200 30 40 FEEB C=CCN1CCO[C@H]2CCN(S(=O)(=O)c3sccc3C)CC[C@@H]21 2055745949 UPDAFFYKBYFCMM-GJZGRUSLSA-N 356.513 2.096 30 40 FEEB N#CCC[C@@H](C#N)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 24589474 MNTTVMOMHKFSLO-HNNXBMFYSA-N 359.861 2.340 30 40 FEEB CCCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 57683819 BNUGMRQHLFSSKZ-INIZCTEOSA-N 366.508 2.217 30 40 FEEB C#Cc1cncc(C(=O)N2CCO[C@](C)(CNC(=O)C[C@H](C)C(C)C)C2)c1 1775990362 AKCUQZBIJUZQLP-HRAATJIYSA-N 371.481 2.092 30 40 FEEB N#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 6241374 FKVVVGUTALDMBW-WJDWOHSUSA-N 365.320 2.394 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 3518434 YQRHRBAOTIYORG-LBPRGKRZSA-N 369.421 2.461 30 40 FEEB N#Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc2c1=O 103262538 FWRGLWWHRSOMBA-UHFFFAOYSA-N 360.211 2.258 30 40 FEEB COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(CNC(C)=O)s2)cc1 58044940 MOZXDVKDKUMVMB-UHFFFAOYSA-N 368.436 2.086 30 40 FEEB N#CCCNC(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F 58283445 WWYDRLZVOSWWLF-UHFFFAOYSA-N 370.360 2.024 30 40 FEEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)[C@H](C)NC(=O)OC(C)(C)C)cc1 48472889 QRKBLKBIIIIFRJ-JTQLQIEISA-N 370.427 2.448 30 40 FEEB C=C[C@@]12C=CCN3CC[C@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@H]32 1772820080 JTSSMMKHJYRYEG-DBOLQNLKSA-N 350.418 2.256 30 40 FEEB biogenic N#Cc1ccc(N2CCC[C@H](NC(=O)c3onc4c3CCCC4)C2=O)cc1 597490408 YMXUSZAQCXLDFH-KRWDZBQOSA-N 364.405 2.350 30 40 FEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1565556231 ZKQGLLZGPJFUJX-WIYYLYMNSA-N 369.465 2.040 30 40 FEEB NC(=O)c1c(/N=C2/C(=O)N(CO)c3ccccc32)sc2c1CCCC2 103265587 LMOKZIZZQLXOHU-HMMYKYKNSA-N 355.419 2.143 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccccc1F 8737955 OTLPNUKPYLNKEA-UYTDBDHRSA-N 358.369 2.402 30 40 FEEB NC(=O)C(C(=O)[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1)=C1SCCS1 51329868 HWIIMFWJKAWMBD-MNOVXSKESA-N 350.421 2.444 30 40 FEEB COc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1O 104924151 WTLZLSNRKMSWLU-FPYGCLRLSA-N 359.119 2.322 30 40 FEEB C#CCNC(=O)CN1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 48274178 YAMPTSPMJZXLBN-MRXNPFEDSA-N 351.491 2.093 30 40 FEEB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 12974791 MPRYDFBZHMTIAU-HNNXBMFYSA-N 372.469 2.297 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 5516350 UTIBLNXEZQIYCS-QPRSIOOTSA-N 352.481 2.315 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/[C@H]2C[C@H]3CC[C@H]2C3)C1=O 408537808 XJSHGUBCRVOOOU-LQPQUHAUSA-N 355.394 2.154 30 40 FEEB C=CCN1CC[C@@]2(CN(C(=O)c3ccco3)C[C@@H]2c2nccs2)C1=O 306135252 OLVLRAAZJSZIGU-ACJLOTCBSA-N 357.435 2.380 30 40 FEEB CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc1 16606620 CVMLNRLIEXHGDU-KHIZAZIESA-N 357.406 2.341 30 40 FEEB N#Cc1ccc(N2C[C@H]3CCN(C(=O)COc4ccccc4F)[C@H]3C2)nc1 1889146252 PCXWTKKOQSAJCH-WBVHZDCISA-N 366.396 2.208 30 40 FEEB COc1ccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@H]2[N+](=O)[O-])cc1OC 100254756 SQELQUHJHUVMQU-CABCVRRESA-N 360.370 2.211 30 40 FEEB Cc1ccoc1C(=O)NC1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 58227558 OIJBAXHUYTXDBE-UHFFFAOYSA-N 366.421 2.293 30 40 FEEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)CC)cc1 2137147 PSTOTUMTQOQYSS-UHFFFAOYSA-N 367.496 2.272 30 40 FEEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3cccc(OC)c3O)cnc12 2349172 DCGCGWXDJXIINC-ZVBGSRNCSA-N 364.361 2.483 30 40 FEEB Cc1ccc(Cl)cc1NC(=O)CN(CCC#N)CCN1CCOCC1 96971298 RUKMFQABAIHYQH-UHFFFAOYSA-N 364.877 2.135 30 40 FEEB Cc1ccnc2c1NC(=O)CN2S(=O)(=O)c1ccc(C#N)c(Cl)c1 95453349 GICSEEPGVBPFCB-UHFFFAOYSA-N 362.798 2.063 30 40 FEEB Cc1cc(S(=O)(=O)N(CCC#N)Cc2ccccn2)sc1C(=O)O 546956715 NKBAMPZIOZMDMI-UHFFFAOYSA-N 365.436 2.254 30 40 FEEB COc1cccc([C@]2(O)CC(C)=NN2C(=O)COc2ccccc2C#N)c1 408562981 HFVPQHZHABAZCO-HXUWFJFHSA-N 365.389 2.399 30 40 FEEB COc1ccc([C@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1 96900130 VTMPHROQCDZGEN-AWEZNQCLSA-N 373.368 2.237 30 40 FEEB COc1ccccc1CN1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 295792781 VJXQMOCFJXQNOM-UHFFFAOYSA-N 365.499 2.082 30 40 FEEB OCCN1CCN(C(=S)N/C(=N\c2ccccc2)c2ccccc2)CC1 4320426 NYCFEPZNBKHQON-UHFFFAOYSA-N 368.506 2.249 30 40 FEEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 10326926 FLMKYPQRNKSAQL-UHFFFAOYSA-N 368.824 2.499 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1ccccc1Cc1ccccc1 2725882 QBPNQBKPCHFRJU-UHFFFAOYSA-N 352.390 2.446 30 40 FEEB COc1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@H]4N3)C(=O)C2)cc1OC 9287943 SMZUMXAOIAAHPC-GOOCMWNKSA-N 370.449 2.435 30 40 FEEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 5516619 KRUNUBNEDARZSE-WWTZIWLLSA-N 374.434 2.222 30 40 FEEB N/C(=N/OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccs1 84436784 GGXULUMLXVVXPB-UHFFFAOYSA-N 355.322 2.345 30 40 FEEB NS(=O)(=O)c1ccc(N/N=C/c2c(F)cccc2Cl)c([N+](=O)[O-])c1 4948221 BOHARAGZXKNXLR-REZTVBANSA-N 372.765 2.481 30 40 FEEB C=C(C)C[C@H]1N(Cc2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100190418 CYOKHXZXJDYXLW-YKGACUOXSA-N 369.417 2.397 30 40 FEEB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(CC#N)cc3)ccc21 8126890 ZLAQGBLSINIJGH-UHFFFAOYSA-N 355.419 2.327 30 40 FEEB N#Cc1ccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12507320 GVVWJKCIZJHKLY-QGZVFWFLSA-N 360.377 2.166 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1C 5339635 IKYZGFGSYIWHMY-XJFZTKQQSA-N 352.481 2.315 30 40 FEEB C=CCN1C(=O)[C@]2(NC(=O)c3cc(OC)c(OC)cc3N2)c2ccccc21 69098078 QKBNRXTWMJSRIW-HXUWFJFHSA-N 365.389 2.245 30 40 FEEB N#CC1(NC(=O)COC(=O)Cc2ccc(OC(F)F)cc2)CCCC1 71800960 DLMRBKHAIXWQIS-UHFFFAOYSA-N 352.337 2.326 30 40 FEEB NC(=O)CCNC(=O)c1ccccc1NCC#Cc1ccc(Cl)cc1 72314418 MNYLPTJUHFQBNR-UHFFFAOYSA-N 355.825 2.409 30 40 FEEB CCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1 226073155 CJRSGFMEBXSTTD-UHFFFAOYSA-N 357.435 2.402 30 40 FEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccccc1Br)C2 225683109 UKYBAYHWPREQJX-UHFFFAOYSA-N 358.195 2.208 30 40 FEEB COc1cccc(OCC(=O)NCC#CCOc2ccccc2OC)c1 90610373 IMFBAYLLUQRTKU-UHFFFAOYSA-N 355.390 2.281 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n(-c4ccccc4)c(C)c(C)n23)n(C)c1=O 12374131 VZOJKBMPRNBSKV-UHFFFAOYSA-N 363.421 2.332 30 40 FEEB COc1cc(/C=N\N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)ccc1O 17024216 DJKHQFIMQMHISN-BKAYVGFPSA-N 360.435 2.428 30 40 FEEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccncc2)C3=O)CC1 20518422 ZSUPPZRGCRTCPN-PDGQHHTCSA-N 351.406 2.151 30 40 FEEB COc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)N2CCOCC2)cc1 23731502 LLZKVQRHCWQBFZ-HXUWFJFHSA-N 365.433 2.370 30 40 FEEB C/C(=N\OCc1ccccc1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 36389870 ZVXYHEDQKCEMAC-LTGZKZEYSA-N 373.478 2.221 30 40 FEEB COCCNc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1 39579189 OHPRHNHMMVAXRX-NSHDSACASA-N 369.516 2.420 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(F)cc3)C2=O)cc1 408535419 OAQZROPKWLJJID-OAHLLOKOSA-N 355.325 2.436 30 40 FEEB CC(C)CCn1c(N/N=C\c2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 33561137 UGZJQNWCUXNKPT-JMIUGGIZSA-N 372.404 2.055 30 40 FEEB Cc1nc(C)c(CC/C(O)=N/[C@@H]2CCCN(c3cccnn3)C2)c(O)n1 329574682 JRRXGMHJHXDYJP-CQSZACIVSA-N 356.430 2.147 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccccc2Br)C(=O)NC1=S 223932922 ADDFPEULZCROBK-CSKARUKUSA-N 351.225 2.262 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309636 SXNKVXSDDHEEDA-ZZLWNPHVSA-N 356.513 2.072 30 40 FEEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)c1cccc2c1OCCO2 58153880 UZHHSAFJPOXPBD-UHFFFAOYSA-N 368.798 2.341 30 40 FEEB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sccc2C#N)C1=O 14140277 XXZGZNZTOKPLTP-SFHVURJKSA-N 368.418 2.416 30 40 FEEB CC(=O)C1=C(OC(=O)Cc2ccccc2)c2ccccc2S(=O)(=O)N1C 9134687 SVIMJPFBKVBSTR-UHFFFAOYSA-N 371.414 2.364 30 40 FEEB C/C(=N\Oc1nc(N(C)C)nc(N(C)C)n1)c1sc(=S)n(C)c1C 524732303 IYNDPBMZAFXYAJ-QGMBQPNBSA-N 367.504 2.245 30 40 FEEB CCC[S@](=O)CCCN(CC)C[C@H](O)COc1ccc(C#N)cc1 8469359 ZMHOBBKJBYLXFR-BXKMTCNYSA-N 352.500 2.169 30 40 FEEB in-man CCOC(=O)c1ccc2c(c1)CCCN2CC(=O)N[C@](C)(C#N)C1CC1 79103683 PLKIQAQLHRNXKQ-HXUWFJFHSA-N 355.438 2.424 30 40 FEEB N#Cc1cccc(COC(=O)CCNS(=O)(=O)c2cccs2)c1 24978487 PGVPTWAVVAIWKG-UHFFFAOYSA-N 350.421 2.032 30 40 FEEB C/N=C1\S[C@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1C 13116516 GZDXQLGJOMHQAV-MHMQGTJDSA-N 362.480 2.387 30 40 FEEB C=CCOc1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 15019290 SOWFMGMKFZNIIQ-UHFFFAOYSA-N 372.402 2.035 30 40 FEEB C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2nc1NCCC 20059560 MPFQJIXGGRSONH-UHFFFAOYSA-N 351.410 2.289 30 40 FEEB N#Cc1ccc(COC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 32860345 KMHRIEVOUFHHGX-UHFFFAOYSA-N 356.403 2.455 30 40 FEEB CON=C(C(=O)Sc1nc2ccccc2s1)c1nsc(N)n1 299888783 XJESSAAEFWMELV-UHFFFAOYSA-N 351.438 2.399 30 40 FEEB N#Cc1cccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 31594279 AIIBBRNPNIOYNX-UHFFFAOYSA-N 355.463 2.206 30 40 FEEB CC(=O)Nc1ccc(S(=O)(=O)C2=CC(=O)c3ccccc3C2=O)cc1 1703009 ATKGIBHIKAWDOX-UHFFFAOYSA-N 355.371 2.382 30 40 FEEB C=CCN(Cc1ccccc1)C(=O)Cc1c(C)nc2nc(N)nn2c1C 58218597 JGANFLIFTSZBNK-UHFFFAOYSA-N 350.426 2.081 30 40 FEEB C=CCN(CC=C)C(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 2136584 CCCDTDVJMPPVCG-UHFFFAOYSA-N 350.440 2.401 30 40 FEEB N#Cc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408530998 GEVPLMYCFPORRJ-DARAHFNDSA-N 350.378 2.144 30 40 FEEB COC(=O)C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)cc1 48229928 INQWCTGXPRQVSK-QGZVFWFLSA-N 356.353 2.497 30 40 FEEB C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 197633951 CQZUJMJORLOTCJ-UHHJOXCMSA-N 362.422 2.222 30 40 FEEB biogenic,in-vitro Cn1cncc1CN1CCO[C@@]2(CCCN(c3cccc(C#N)c3)C2)C1 96226293 MTTGERNMRYKGIZ-FQEVSTJZSA-N 351.454 2.163 30 40 FEEB C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 7123360 NTEOPIWXKJNNCS-AWEZNQCLSA-N 357.435 2.370 30 40 FEEB COC(=O)/C(O)=N/c1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 20031853 JKYGIWJCHWRWKO-UHFFFAOYSA-N 354.369 2.500 30 40 FEEB COc1ccc([C@@H](CC(=O)Nc2cccc(C#N)c2)NS(C)(=O)=O)cc1 225953354 FILDWILFUBJQBN-QGZVFWFLSA-N 373.434 2.186 30 40 FEEB COc1nn(C)cc1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 90610473 WHDLFLLFOJWHHP-UHFFFAOYSA-N 367.327 2.260 30 40 FEEB CC(=O)CNc1ccc(S(=O)(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 3194922 DGANTRIMETXYCB-DEDYPNTBSA-N 374.466 2.066 30 40 FEEB Cc1ccc(CN2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 5342062 FCXXMGFSPXNMQU-QDASYUEBSA-N 366.508 2.248 30 40 FEEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4ccc([N+](=O)[O-])cc4)c3nc12 16742015 XZAAVKLCLLMSFR-UHFFFAOYSA-N 373.328 2.087 30 40 FEEB Nc1ncnc(N/N=C/Cc2ccc(Br)cc2)c1[N+](=O)[O-] 72238791 ZFYLNRWRLXEHFT-UBKPWBPPSA-N 351.164 2.370 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 6352430 AWQPZBXKNDQWKB-UHFFFAOYSA-N 360.435 2.477 30 40 FEEB O=C1C(=O)N(CCO)[C@H](c2cccc(O)c2)/C1=C(\O)c1ccc(Cl)cc1 102703727 YITBUDHRGLAEHQ-IBOXJLQUSA-N 373.792 2.460 30 40 FEEB C=CCNC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@H]2CCS(=O)(=O)C2)n1 33325668 KRVBOHNWKHCIDD-INIZCTEOSA-N 373.478 2.442 30 40 FEEB CCn1cc(Br)cc1C(=O)NCCNc1ncccc1C#N 58281769 OBXSWYKZDNBXFF-UHFFFAOYSA-N 362.231 2.379 30 40 FEEB C=CCOc1ccccc1/C=C1/SC(N2CCC(C(N)=O)CC2)=NC1=O 6303890 WCAHDJDBZRRTAA-FOWTUZBSSA-N 371.462 2.419 30 40 FEEB CS(=O)(=O)Nc1ccccc1C(=O)OCCOc1ccc(C#N)cc1 18263415 SEWFXNCXPRSGGB-UHFFFAOYSA-N 360.391 2.166 30 40 FEEB C#C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)C1CCOCC1 583651372 KOYODEDXWWBISJ-INIZCTEOSA-N 352.438 2.312 30 40 FEEB C=CCn1c(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nnc1C1CC1 16726400 VQYSFRSNEHNHEQ-JTQLQIEISA-N 351.476 2.446 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)C)cc1 709659 QOURURWKGDEAJO-IBGZPJMESA-N 372.465 2.427 30 40 FEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1OC 1085003 GCOBKVQKGZTUAK-HNNXBMFYSA-N 359.378 2.168 30 40 FEEB COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)c1 29526281 GIBYTWRQXUGQHK-UHFFFAOYSA-N 366.377 2.437 30 40 FEEB C=CCO[C@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 48368978 SPQWJTAIDNWYLI-OAHLLOKOSA-N 366.483 2.069 30 40 FEEB NC(=S)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408738299 JSZHHDSWEBNUMH-UHFFFAOYSA-N 361.339 2.462 30 40 FEEB Cc1ccc(S(=O)(=O)/N=C(/N)NCCc2ccc(Cl)cc2)cc1 13116722 URGDDANIHUIRFZ-UHFFFAOYSA-N 351.859 2.484 30 40 FEEB C/C(=N\NC(=S)NCCCN1CCOCC1)c1ccc(Cl)s1 23466471 VTMOMLPRVSRCHJ-GZTJUZNOSA-N 360.936 2.312 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)cn23)n(C)c1=O 4370377 RSZQVMKQCPVOQS-UHFFFAOYSA-N 363.421 2.250 30 40 FEEB COc1ccccc1N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 3259839 XBZYXFDISVBOFF-UHFFFAOYSA-N 351.406 2.294 30 40 FEEB N#Cc1ccc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 11155702 VAKWBRMPJCCEOJ-GOSISDBHSA-N 369.446 2.190 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@@H]1c1ccco1 6160434 SBJVRCZGZIJWBB-UYTDBDHRSA-N 355.394 2.048 30 40 FEEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCC(=O)O)c(=O)oc2c1 6624089 NDTLXCPFWVDDRJ-UHFFFAOYSA-N 359.378 2.190 30 40 FEEB biogenic CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 36638601 DPDGBJDYAWCKRF-MHZLGRPESA-N 370.471 2.473 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32504650 DPDGBJDYAWCKRF-LIPKEOFVSA-N 370.471 2.473 30 40 FEEB CCOc1cc(/C=C2\C(=O)N(CCC#N)N=C2C)ccc1OCC(=O)O 5652022 OUWMFEQJFAZSPQ-ZROIWOOFSA-N 357.366 2.064 30 40 FEEB C#CC(C)(C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 12185198 ABSFHWNDWNMKMP-OPBRUMHYSA-N 352.434 2.469 30 40 FEEB CSc1ncc(C)c(OCC2CCN(c3nccc(C#N)n3)CC2)n1 1888869550 TYTKQTDZVOEPBH-UHFFFAOYSA-N 356.455 2.464 30 40 FEEB C=C(Br)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 50237461 YQGOAYKAYPPVOW-UHFFFAOYSA-N 364.173 2.064 30 40 FEEB Cc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 23823122 TYGKXWKXBFZNEH-UHFFFAOYSA-N 355.463 2.373 30 40 FEEB O/N=C\C(=N/c1ccc(-c2ccc(/N=C(\C=N/O)NO)cc2)cc1)NO 104246308 JVUHOZSZCPTZEW-XFQWXJFMSA-N 356.342 2.291 30 40 FEEB COc1ccc([C@@H](O)/C(=N/N)c2nc3ccc(Cl)cc3nc2O)cc1 102944563 PTQUNNORZBNADX-CAUNFOBBSA-N 358.785 2.394 30 40 FEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCc3ccco3)o2)o1 71288950 QNTLQVJESGFPTH-UHFFFAOYSA-N 362.367 2.262 30 40 FEEB C[C@@H](CN1CCCC1=O)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 75092521 MSNIDTPBBMZFBE-ZDUSSCGKSA-N 367.371 2.367 30 40 FEEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32634438 CEVWDVNFMIIIFP-BREGNPSQSA-N 356.444 2.083 30 40 FEEB COc1ccc2[nH]cc(CC/N=C(\N)Nc3ccc([N+](=O)[O-])cn3)c2c1 225235307 KNUUPHYYZMPKJJ-UHFFFAOYSA-N 354.370 2.449 30 40 FEEB COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2cccs2)n2nnnc2N1 13123700 WKSLJOOEHUAOQL-CQSZACIVSA-N 367.390 2.060 30 40 FEEB CN(C)c1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1[N+](=O)[O-] 7159140 IVPNFCMMWVSLQK-VCHYOVAHSA-N 369.410 2.485 30 40 FEEB CNC(=O)[C@H](C#N)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 102389133 QBCHXDJAAFIXDR-OAHLLOKOSA-N 369.446 2.320 30 40 FEEB O=[N+]([O-])c1ccccc1/C=N\NC(=S)N/N=C/c1ccccc1[N+](=O)[O-] 8617058 MSEWEKWTCRFOSN-ZAGBYUSBSA-N 372.366 2.335 30 40 FEEB N#Cc1ccccc1S(=O)(=O)NCc1ccc(Cn2cccn2)cc1 12948529 NZCNMRBNBSUUKU-UHFFFAOYSA-N 352.419 2.282 30 40 FEEB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 8746369 BDCKJQOPIXPVFL-KRWDZBQOSA-N 370.409 2.499 30 40 FEEB C=C(Br)CNC(=O)C1CCN(c2ccc(Cl)nn2)CC1 49297115 YORKXTBQODBHTQ-UHFFFAOYSA-N 359.655 2.371 30 40 FEEB CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1nccnc1C#N 72082216 ZVNUOLMAWOHQPC-NSHDSACASA-N 352.316 2.243 30 40 FEEB C=CCNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)O 217644632 SXTBIGXCRCGSGO-UHFFFAOYSA-N 356.444 2.076 30 40 FEEB CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Br)cc1 11859818 FMWRVFBGJUWHCW-QBFSEMIESA-N 363.258 2.089 30 40 FEEB N#Cc1ccnc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c1 2298051627 IIAVXIWWAOASRM-UHFFFAOYSA-N 361.405 2.391 30 40 FEEB COc1ccc(CCNC(=O)CO/N=C/c2ccc3c(c2)OCO3)cc1 3579221 QONYDWCCABEEMO-SRZZPIQSSA-N 356.378 2.133 30 40 FEEB C=CCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 4912405 OHBQSUHSHGMMSX-UHFFFAOYSA-N 363.421 2.001 30 40 FEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(C#N)CO)cc1 225640921 FAHZBRZTEJSCKF-IPMKNSEASA-N 371.414 2.166 30 40 FEEB O=C[C@@H]1O[C@@H](c2ccccc2)O[C@H]1[C@H]1O[C@@H](c2ccccc2)O[C@H]1C=O 5082724 GHAPAWIWLGQUGN-YDRVBMSGSA-N 354.358 2.350 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 101302473 YOXNFYGTYFAVEN-TVZSIIEJSA-N 352.481 2.431 30 40 FEEB C=CCn1c(SCC(=O)NC(=O)NCC)nnc1C1CCCCC1 3485629 FAPNVFBDLCUKEB-UHFFFAOYSA-N 351.476 2.450 30 40 FEEB CC[C@H](NC[C@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)O 26920492 YRUXJRNAJLNUKP-UGSOOPFHSA-N 354.406 2.250 30 40 FEEB C=CCNC(=O)NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 14112399 BZYIOOGBKUMNES-UHFFFAOYSA-N 368.418 2.137 30 40 FEEB CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN)cc1 22145326 KCLDTLMPTVFCPQ-GOSISDBHSA-N 365.433 2.290 30 40 FEEB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2cc(F)ccc2C#N)C1 583618880 WRQCHBQFKNYHDC-CVEARBPZSA-N 352.373 2.097 30 40 FEEB COc1cc(/C=N\N2CCN(c3ccccn3)CC2)cc(OC)c1OC 16677838 JAQZXCXJZXIVNV-STZFKDTASA-N 356.426 2.264 30 40 FEEB COc1cccc2sc(N3CCN(c4nccc(C#N)n4)CC3)nc12 1888903744 LWTGWNRLXZKRMH-UHFFFAOYSA-N 352.423 2.293 30 40 FEEB C=C(C)C[C@@](NS(=O)(=O)c1ccccc1)(C(=O)OC)C(F)(F)F 2503852 VMMMUNRZXHCEOQ-CYBMUJFWSA-N 351.346 2.405 30 40 FEEB CN(C)/N=C/C=C1/CCC(C(=O)Nc2ccccc2)=C1N1CCOCC1 3196267 XZDYZYORWUGHAC-SOXOPLBMSA-N 354.454 2.479 30 40 FEEB COc1ccc(/C=C/[C@H]2C(C#N)(C#N)C(OC)(OC)C2(OC)OC)cc1 1585166 IRCJBAHQWUFZST-KXKDPZRNSA-N 358.394 2.350 30 40 FEEB CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 108064084 KCGGOJPFAITKPS-ZFZWDLNGSA-N 353.422 2.472 30 40 FEEB N#Cc1ccc(NCCNC(=O)c2cc(Br)ccc2O)nc1 12974953 AZPODVWFKSNPBJ-UHFFFAOYSA-N 361.199 2.263 30 40 FEEB C[C@H](O)c1cn(C2CN(c3cc(C#N)c4cc(Cl)ccc4n3)C2)nn1 95999414 HTNSIULFDPQTNF-JTQLQIEISA-N 354.801 2.466 30 40 FEEB C#CCOc1c(Br)cc(C(=S)N2CCOCC2)cc1OC 33864216 DQTODECROHWUNW-UHFFFAOYSA-N 370.268 2.477 30 40 FEEB Cc1ccccc1NC(=O)[C@@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N\O 104274157 AQYPQUIGWBJPNA-MOLDEKSUSA-N 351.362 2.262 30 40 FEEB N#Cc1ccc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 57856545 BGGVAGXBMWAVBI-UHFFFAOYSA-N 356.451 2.466 30 40 FEEB COC(=O)c1cc(NC(=O)COc2cccc(C#N)c2)cc(C(=O)OC)c1 3473109 MLVLRSPQMUWCKO-UHFFFAOYSA-N 368.345 2.149 30 40 FEEB CCCCCCCCn1c(NNC(C)C)nc2c1c(=O)[nH]c(=O)n2C 100724885 CWZUKNSIHZPGAH-UHFFFAOYSA-N 350.467 2.109 30 40 FEEB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(C#N)cc1 12936741 KQOPNHNSGXDVRB-FQEVSTJZSA-N 360.373 2.106 30 40 FEEB C/C(=N\Nc1nc(=O)c(Cc2ccccc2)n[nH]1)c1ccc(O)cc1O 5126323 OLDIPWLKLSRNDT-RGVLZGJSSA-N 351.366 2.003 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N 13805673 KJCNTJWPQJELGD-NZSAHSFTSA-N 363.421 2.106 30 40 FEEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1 5408697 AARFFRYCQKMCNU-GROYHEBESA-N 370.405 2.272 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 6658537 GCPMYUYAAISWPX-VHJJFICUSA-N 352.481 2.431 30 40 FEEB O=C1CCc2cc(S(=O)(=O)/N=C(\O)c3ccc4c(c3)CCO4)ccc2N1 48644134 JETRDXQVZCHSEE-UHFFFAOYSA-N 372.402 2.200 30 40 FEEB N#Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 12886961 ITQPDZNJEKURFE-KRWDZBQOSA-N 371.462 2.188 30 40 FEEB CCC[S@@](=O)CCCN(CC)C[C@@H](O)COc1ccc(C#N)cc1 1546928 ZMHOBBKJBYLXFR-OSPHWJPCSA-N 352.500 2.169 30 40 FEEB in-man COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2cccs2)n2nnnc2N1 10232441 UFPAZLSJNKCFRF-LBPRGKRZSA-N 373.419 2.121 30 40 FEEB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(C#N)c2)cc1 23026235 BVKDTDUABSXYOB-UHFFFAOYSA-N 369.446 2.271 30 40 FEEB C=CCSc1nnc(NC(=O)c2ccccc2S(C)(=O)=O)s1 3359430 DXGYVIBEVWRLMU-UHFFFAOYSA-N 355.466 2.472 30 40 FEEB N#C[C@@H](C1=NC(=O)CS1)C(c1ccccc1)[C@@H](C#N)C1=NC(=O)CS1 39251323 LDMBLUGOFPMASN-VXGBXAGGSA-N 368.443 2.394 30 40 FEEB C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(C)cc2)CC1 96181276 KJPJVCQAWZNXEU-ICSRJNTNSA-N 355.482 2.281 30 40 FEEB CN(CC(=N)O)C[C@H]1CN(C(O)=Nc2ncc(C(C)(C)C)s2)CCO1 331246045 PRICVKWDKDIILP-NSHDSACASA-N 369.491 2.154 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@]12C#N 19874890 PAVLOZGXEKMXSF-MRVWCRGKSA-N 351.193 2.428 30 40 FEEB O=C1N=c2ccccc2=C1N/N=C/c1ccc(OCc2ccccc2)cc1 6228484 ATPKFNRDXOVJRC-OEAKJJBVSA-N 355.397 2.157 30 40 FEEB C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](OCCN2CCCCC2)C1 79105456 VGTPLZNXXXUSLG-MJGOQNOKSA-N 370.497 2.462 30 40 FEEB C=CCOc1ccccc1/C=C1/SC(N2CCN(C(C)=O)CC2)=NC1=O 4471853 WBHJJPKOLGFVCU-GHRIWEEISA-N 371.462 2.386 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc(N(CC)CC)cc2)C1=O 9242358 OLDYQOUBVJSTTO-DTQAZKPQSA-N 356.426 2.483 30 40 FEEB C=CCN(C(=O)Nc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 89990992 KGBSBBSDIMSQBX-CQSZACIVSA-N 368.455 2.301 30 40 FEEB N#CCCN(CCC#N)C(=O)COC(=O)/C=C/c1ccc2ccccc2n1 21228965 CWIMDEVENJXWAR-MDZDMXLPSA-N 362.389 2.447 30 40 FEEB COc1cc(OC)c(OC)cc1/C=N\N1CCN(c2ccccn2)CC1 16677840 PYDRNQJGMKDYOP-STZFKDTASA-N 356.426 2.264 30 40 FEEB N#Cc1cc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)cnc1C(F)(F)F 591423027 VJCQCDVQUZIDFR-SNVBAGLBSA-N 366.303 2.163 30 40 FEEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2csnn2)cc1 40139706 MJHUFNICFIJAJE-JXMROGBWSA-N 351.453 2.465 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)C=C(C2CC2)C2CC2)c1 54488121 PXQCHBVHRRLQKE-UHFFFAOYSA-N 369.464 2.482 30 40 FEEB C=C1[C@H]2C[C@@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@H]54)[C@@H]1O 100784117 CBOSLVQFGANWTL-AQLMHVEZSA-N 357.494 2.000 30 40 FEEB C=CCn1c(SCc2ccccn2)nnc1[C@H]1CCS(=O)(=O)C1 48311162 YKFPTSDONSZPTK-LBPRGKRZSA-N 350.469 2.054 30 40 FEEB CN(C)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 49673953 JZYPFKRGUNUGRA-UHFFFAOYSA-N 357.435 2.178 30 40 FEEB Cn1c([C@@H](C#N)C(=O)CN2C(=O)c3ccccc3C2=O)nc2ccccc21 5072666 UABOUBKJYCZAGR-AWEZNQCLSA-N 358.357 2.046 30 40 FEEB CNc1oc(-c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)nc1C#N 13719947 XYTZEBNWKIWSJK-UHFFFAOYSA-N 362.411 2.048 30 40 FEEB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 6393698 LXFLEWOTIFHQQI-FQEVSTJZSA-N 363.373 2.297 30 40 FEEB N#Cc1ccc(N2CCN(C(=O)c3cc(O)nc(C4CC4)n3)CC2)c(F)c1 515355599 YLOHWMUCASZLON-UHFFFAOYSA-N 367.384 2.033 30 40 FEEB C[C@H]1CN(CC2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 58227384 KXKVYXKHFKIGQI-CALCHBBNSA-N 370.497 2.318 30 40 FEEB Cc1cc(C)n([C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 79019135 SJLVADSIOMRNBR-GJZGRUSLSA-N 361.446 2.032 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3OC)C2=O)cc1 408529940 DKVRVZQCXKQTKP-CQSZACIVSA-N 367.361 2.305 30 40 FEEB N/C(=N/OC(=O)c1cccs1)c1cnn2c(C(F)(F)F)ccnc12 13644257 MSASBGYPXAAMHV-UHFFFAOYSA-N 355.301 2.287 30 40 FEEB CN(CCO)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 6367892 MGBSWQSCNPSKRM-GZTJUZNOSA-N 359.342 2.378 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 14094725 CDQCUPVHZNEFQP-UHFFFAOYSA-N 367.428 2.470 30 40 FEEB N#CC1(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)CCCC1 4959875 WVCIWTGTHLEICJ-UHFFFAOYSA-N 364.331 2.311 30 40 FEEB N#Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408537855 XSGJDVJGJWKGHH-GFCCVEGCSA-N 350.309 2.299 30 40 FEEB N#Cc1cc2c(N)c(C(=O)NC3=N[C@@H]4C=CC=C[C@H]4S3)sc2nc1N 39398398 GHSVPJJJQSKDKM-NXEZZACHSA-N 368.447 2.028 30 40 FEEB CCOc1cc(/C=N/NC(N)=S)c(Cl)c(Br)c1O 2799736 YPGRBPXTRNEKQD-LNKIKWGQSA-N 352.641 2.374 30 40 FEEB CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 591619380 ZLBOSXPFEHRKTK-INIZCTEOSA-N 355.360 2.387 30 40 FEEB O=C(/C=C1\Nc2ccc([N+](=O)[O-])cc2N[C@H]1O)c1cccc([N+](=O)[O-])c1 104287057 KMUNZQOCLSFPQQ-VCHSTOLQSA-N 356.294 2.426 30 40 FEEB C#CCNC(=O)[C@@H](C)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 56154397 ILSIRJWXMIKXNY-OAHLLOKOSA-N 371.462 2.346 30 40 FEEB COc1ccc(CC(=O)O)cc1S(=O)(=O)N(CC#N)c1ccccc1 58109030 IEGDOAUWYQGIFV-UHFFFAOYSA-N 360.391 2.041 30 40 FEEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1[N+](=O)[O-] 16741726 YOBFPFVJXTZGNH-UHFFFAOYSA-N 373.328 2.087 30 40 FEEB N#Cc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408531000 GEVPLMYCFPORRJ-SDADXPQNSA-N 350.378 2.144 30 40 FEEB Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1 70462170 XLROFBYUJHUPBA-UHFFFAOYSA-N 364.449 2.485 30 40 FEEB CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 46933548 GFARAUBZLXQLNQ-ZDUSSCGKSA-N 355.316 2.449 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(C(=O)Cc4ccc(F)cc4F)C[C@H]3C2)nc1 1889139264 ZBZQOTXVRSTREF-IYBDPMFKSA-N 368.387 2.369 30 40 FEEB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)C1(C#N)CCCC1)C2 1614940106 CHZPSSJLXOCWBY-LJQANCHMSA-N 372.494 2.082 30 40 FEEB CCc1nnc2n1N(C(C)=O)C(c1cccc([N+](=O)[O-])c1)=C(C(C)=O)S2 4518339 MHBMXVZAWOKQAC-UHFFFAOYSA-N 373.394 2.297 30 40 FEEB COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C(=O)O)cc1 666761 PKKDBCICIKRBEN-ZVBGSRNCSA-N 352.350 2.446 30 40 FEEB Cn1c(=C(C#N)C#N)s/c(=C/c2ccc(F)c(-c3cccs3)c2)c1=O 55756510 WMNLCPXTDDGDFI-LZYBPNLTSA-N 367.430 2.341 30 40 FEEB CN/C(=N/c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 25539683 YPPJRLSYDJOQMK-UHFFFAOYSA-N 359.451 2.005 30 40 FEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1OC 100301916 XMHDEEIHFNLZDA-ZOOCNOLDSA-N 352.390 2.091 30 40 FEEB Cn1c(=O)n(C)c2cc(/C=N/c3ccc(N4CCOCC4)cc3)ccc21 408931502 MKAUDMAZPIYBJT-KGENOOAVSA-N 350.422 2.464 30 40 FEEB CCN1C[C@@H](CN(C)S(=O)(=O)c2cccc(C#N)c2)Oc2ccccc21 7726469 HTSPUJNJHSBNKG-MRXNPFEDSA-N 371.462 2.466 30 40 FEEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccccc2F)C(=O)NC1=S 408967836 XNRISKZZHSLXLH-ACCUITESSA-N 355.394 2.429 30 40 FEEB C[C@@H]1CCCC[C@@H]1N1CNC(=NS(=O)(=O)c2ccc(Cl)cc2)NC1 30874825 YJWQTESXSNWZJV-DOMZBBRYSA-N 370.906 2.373 30 40 FEEB CCNc1ncc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)s1 585123990 YNFRIDDGFSNQTM-UHFFFAOYSA-N 356.451 2.882 30 40 FEEB Cc1ccc(S(=O)(=O)N=C2NCN([C@@H]3CCCC[C@H]3C)CN2)cc1 19332650 FRWWBGRTYQVKEJ-GDBMZVCRSA-N 350.488 2.028 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccncc1 5799828 XGIWDOYBAWWNRQ-SELCWUDQSA-N 365.433 2.455 30 40 FEEB COC(=O)c1cnc(N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 79104473 PRPKUWYCXBEJQC-UHFFFAOYSA-N 371.827 2.280 30 40 FEEB C#CCN(CC(=O)Nc1sccc1C(N)=O)[C@@H]1CCc2ccccc21 47405976 WUWUIWDAQSSVKW-MRXNPFEDSA-N 353.447 2.408 30 40 FEEB C=CCn1c(S[C@@H](C(C)=O)C(=O)NC)nc2sc(CC)cc2c1=O 3268780 YENKBIKNOOLYST-LBPRGKRZSA-N 365.480 2.002 30 40 FEEB CNC(=O)c1ccc(CN(CC(=O)NC2(C#N)CCCCC2)C2CC2)cc1 58160072 HNJUYJPRUBCABU-UHFFFAOYSA-N 368.481 2.353 30 40 FEEB C=CCc1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc(OC)c1OC 10268728 CAFCAICRLRTLTG-KRWDZBQOSA-N 354.406 2.389 30 40 FEEB C=C(C)CN(CC)C(=O)Cn1nc(C)c(S(=O)(=O)NC(C)(C)C)c1C 7785651 RLPDUVZUOVKCMX-UHFFFAOYSA-N 370.519 2.001 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccnc2)cc1 5409073 YESNNHZCBSJHNG-SUMWQHHRSA-N 352.390 2.349 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 5516349 UTIBLNXEZQIYCS-HJPHCXOUSA-N 352.481 2.315 30 40 FEEB COC(=O)c1cc(NC(=O)O/N=C/c2cccnc2)cc(C(=O)OC)c1 1567178 OYCHPBWQNUMGBM-VXLYETTFSA-N 357.322 2.237 30 40 FEEB CC1(C)CC(NS(C)(=O)=O)CC(C)(C)N1OC(=O)c1ccccc1 1050077 CGTDBCVQPJKCJC-UHFFFAOYSA-N 354.472 2.329 30 40 FEEB C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)Cc1ccccc1C#N 24990166 IKRZDOUYUYNHGW-WMLDXEAASA-N 363.483 2.015 30 40 FEEB CCCCn1c(N/N=C/c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 12551639 PXGOBIDQCODMOR-VXLYETTFSA-N 374.832 2.323 30 40 FEEB CCCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccc2C#N)C1 48331698 YNMAJFOHFRSEPM-ZBFHGGJFSA-N 363.483 2.264 30 40 FEEB COc1ccc(C(=O)CSc2nc(N)c(C#N)cc2C#N)c(OC)c1 18240973 BRVDZXNQPXXICY-UHFFFAOYSA-N 354.391 2.399 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(C)cc1 32503296 CHTWOYPTJAOAHM-FZJVYVCZSA-N 352.481 2.002 30 40 FEEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCOC(C)C 217438772 DFSQJOKNUCBAOV-UHFFFAOYSA-N 356.444 2.076 30 40 FEEB COc1ccc(/C=N\n2c(O)nc3c([nH]c4cc(OC)ccc43)c2=O)cc1 2427794 FIPCSJCUCMFKOH-JMIUGGIZSA-N 364.361 2.483 30 40 FEEB Oc1ccc2ccccc2c1/C=N/NC(=S)N[C@H]1CN2CCC1CC2 1657155 XFQFDFWONSBRIF-PBGVMVHZSA-N 354.479 2.438 30 40 FEEB C=CCNC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10333664 BYORYQFQSFWDPS-UHFFFAOYSA-N 360.863 2.197 30 40 FEEB N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(N2CCOCC2)n1C1CC1 12777383 BVYLGCBSNOLAMI-UHFFFAOYSA-N 372.410 2.381 30 40 FEEB CS(=O)(=O)/N=C(\O)c1ccccc1OCC(=O)Nc1ccccc1F 48479028 JIECMEPAUIYZKT-UHFFFAOYSA-N 366.370 2.107 30 40 FEEB COc1ccc(OC)c(S(=O)(=O)/N=C(\O)c2cn3ccccc3n2)c1 48492993 CESOAIDRHRPCLA-UHFFFAOYSA-N 361.379 2.045 30 40 FEEB O=C(NC1CC1)c1ccc(/C=C/C(O)=N/S(=O)(=O)c2cccnc2)cc1 48532877 XEVWVOFQABQUSN-BJMVGYQFSA-N 371.418 2.332 30 40 FEEB COc1cccc(/C=N/CC(O)C/N=C/c2cccc(OC)c2O)c1O 9426230 WMEFQPWZZYEUQH-VDEHPEQNSA-N 358.394 2.014 30 40 FEEB Cc1ccc(OCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 225481502 LPHLJOAMSUSKSC-MRXNPFEDSA-N 352.394 2.106 30 40 FEEB CCCn1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871202 YKTAWONWNIHAGN-UHFFFAOYSA-N 353.426 2.407 30 40 FEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C(=O)O)cc1 242677095 SYKBMHDJNOROTH-SOLBZPMBSA-N 357.387 2.229 30 40 FEEB N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1 32850818 YAJYEDMEJJWDSX-SFHVURJKSA-N 369.446 2.296 30 40 FEEB N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2F)CC1 23732824 RDWVGOOMGCGYCO-UHFFFAOYSA-N 359.426 2.204 30 40 FEEB N#Cc1ccc(OC[C@H](O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 14051468 SIFFZNDWPZHPQV-OAHLLOKOSA-N 355.785 2.305 30 40 FEEB C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2csnn2)cc1 9250869 HTYQMGMBNSFMBG-UHFFFAOYSA-N 364.452 2.153 30 40 FEEB N#Cc1ccc(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1 292332764 CSTMHJRSLOBFHC-UHFFFAOYSA-N 359.437 2.355 30 40 FEEB COc1ccc(C#N)cc1CN1CCN(C)[C@H](c2nc(C3CC3)no2)C1 582860695 NXEOSMZCMIJFBK-INIZCTEOSA-N 353.426 2.316 30 40 FEEB CC(C)(C)NC(=O)[C@@H]1CCN(c2ncc(Br)cc2C#N)C1 1889070240 FUAPNMAFWJUBOY-SNVBAGLBSA-N 351.248 2.457 30 40 FEEB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 9544345 DGKKNHPCIZGNQF-UHFFFAOYSA-N 371.418 2.020 30 40 FEEB N#CCN(C(=O)COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccccc1 102834041 MQNWBJNFCWCBOR-GJZGRUSLSA-N 354.406 2.482 30 40 FEEB N#Cc1ccc(CNS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 58311390 MXVHNRDCOLRVJD-UHFFFAOYSA-N 352.419 2.282 30 40 FEEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC 62716346 KIRVQHWKBACFIQ-INIZCTEOSA-N 364.379 2.100 30 40 FEEB N#Cc1cnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc1N 8194115 HTCKKSANDPBODV-UHFFFAOYSA-N 364.774 2.223 30 40 FEEB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N 9515208 DYKWZWCMQBGIMK-JTQLQIEISA-N 355.306 2.356 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225668339 PBQBRRSSGBNDSA-IIDMSEBBSA-N 367.467 2.358 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245229302 SXNKVXSDDHEEDA-QYHNKFFPSA-N 356.513 2.072 30 40 FEEB CCOC(=O)[C@H](/C=N\S(=O)(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1 104197431 SBMINKWPQIHDMZ-NFBGKYEXSA-N 361.443 2.155 30 40 FEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)COC2CCCCC2)c1 58189375 AIRQGCANLCCQSW-UHFFFAOYSA-N 355.412 2.468 30 40 FEEB COc1cc(/N=C2\SCC(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC 36611300 UHJIMNXWEFWISH-GHXQLAGASA-N 366.439 2.454 30 40 FEEB COc1c(O)c2c3c(c1O)C(=O)[C@]1(O)C(=C3C(C)=CC2=O)O[C@H](C)C1(C)C 14615023 PKJJEYCUTMFGJW-SQFXPLBJSA-N 372.373 2.332 30 40 FEEB biogenic C=CCN1CC[C@@]2(CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O 96224052 SXKJBSRLIRWACF-QGZVFWFLSA-N 352.431 2.015 30 40 FEEB N#Cc1ccc2c(c1)N(C(=O)C[C@H](n1cccn1)C(F)(F)F)CC(=O)N2 598843863 KNIQSNSMCGESRS-ZDUSSCGKSA-N 363.299 2.234 30 40 FEEB COc1cc(C(=O)NCCNc2ncccc2C#N)cc(Cl)c1OC 47253008 NPJCLRBNKJCYQR-UHFFFAOYSA-N 360.801 2.466 30 40 FEEB N#Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 14137532 UCIOGPSJRIDJRM-UHFFFAOYSA-N 366.396 2.094 30 40 FEEB CCCCn1c(N/N=C(/C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4597032 RBXKWWJJUJVJMW-MTJSOVHGSA-N 354.414 2.060 30 40 FEEB N#Cc1cc2c(N)c(C(=O)Nc3ccc4c(c3)OCO4)sc2nc1N 20057322 ZMMBSLPZONPAAW-UHFFFAOYSA-N 353.363 2.313 30 40 FEEB COc1ccccc1C/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 48642863 JUDPPKKBNHOETG-UHFFFAOYSA-N 374.418 2.468 30 40 FEEB N/C(=N/Cc1cccc2cccnc12)N1CCN(c2nccs2)CC1 95948355 BCXPPNKGXMVLMJ-UHFFFAOYSA-N 352.467 2.328 30 40 FEEB C#CCCN1CCN(Cc2cn(CC(=O)NC(C)C)c3ccccc23)CC1 23247912 IEMQUZPGCJMEPA-UHFFFAOYSA-N 366.509 2.307 30 40 FEEB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1OC 222913092 ZCOXZEJPDIIMOJ-UHFFFAOYSA-N 359.407 2.117 30 40 FEEB CN1CCN(C(=O)c2ccc(-n3cccn3)c(C#Cc3ccccn3)c2)CC1 19589795 VBNXRHCNUPXHPT-UHFFFAOYSA-N 371.444 2.055 30 40 FEEB CSc1ncc(C#N)c(N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)n1 1888863578 UJEGKQHQYDIQEP-CQSZACIVSA-N 355.471 2.274 30 40 FEEB C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccnc1 3635938 GVJSRRLJVZXRLJ-UHFFFAOYSA-N 373.467 2.417 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)Cn1c(=O)oc2ccccc21 22614251 WENPIERGFBFJFL-UHFFFAOYSA-N 351.362 2.149 30 40 FEEB C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)NOC)cc1 48230834 PLZKZHKYUHLIOJ-UHFFFAOYSA-N 366.464 2.416 30 40 FEEB C=CCO[C@H](C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 58208475 GMCMHHOASXGIPF-LLVKDONJSA-N 355.232 2.485 30 40 FEEB C=CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 58216616 QCDUJSNTFKOVQB-GFOMBABLSA-N 371.462 2.087 30 40 FEEB Cc1ccc2c(Cn3cc([N+](=O)[O-])cc(C#N)c3=O)cc(=O)oc2c1C 19229734 DQOAZBNLOZCVHP-UHFFFAOYSA-N 351.318 2.400 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)c3ccco3)C[C@@H]2c2nccs2)C1=O 306135253 OLVLRAAZJSZIGU-FZKQIMNGSA-N 357.435 2.380 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 43804769 QNNNUGGJWJGBTN-UHFFFAOYSA-N 373.434 2.226 30 40 FEEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3C(=O)COc3ccccc3F)C2)nc1 1889146250 PCXWTKKOQSAJCH-NVXWUHKLSA-N 366.396 2.208 30 40 FEEB N#Cc1ccc(OCC(=O)OCC(=O)N2CCc3ccccc3C2)cc1 3259547 CKAYVGLRDPHSJU-UHFFFAOYSA-N 350.374 2.065 30 40 FEEB Cc1ncc(CO)c(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1O 100741201 MLLDQYMCASOQGF-UFFVCSGVSA-N 352.394 2.136 30 40 FEEB biogenic CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1OC 5516581 QBBLIJOQVHKVNU-FONDOFKWSA-N 368.480 2.015 30 40 FEEB COc1ccc(CN2C[C@H](OC)C[C@H]2c2nnc3n2CCC3)cc1C#N 1775957151 GBQSQYFUFFQLIH-CVEARBPZSA-N 353.426 2.067 30 40 FEEB COc1ccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2c(C)noc2C)cc1 48491134 NHHYUZZUBCCYTQ-NSHDSACASA-N 354.384 2.413 30 40 FEEB Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccccc3F)c2=O)s1 41465460 HEZQSKDCANUBDC-PXNMLYILSA-N 367.430 2.435 30 40 FEEB C=CCNC(=O)c1cc(-c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 33325491 REJJCITXFMQYCX-OAHLLOKOSA-N 359.451 2.134 30 40 FEEB C=C(C)Cn1c(SCc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 902716 CQXSYNYIXWAHGD-UHFFFAOYSA-N 374.441 2.441 30 40 FEEB Cc1cc(C)nc(SCC(=O)NCCNc2cccc(F)c2C#N)n1 42104804 LYGDFOSGTTVTHZ-UHFFFAOYSA-N 359.430 2.425 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 100937645 QXWGRJKLRCVYDW-OJVXUPTESA-N 372.899 2.347 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1OC 5516579 QBBLIJOQVHKVNU-HOUNFRTDSA-N 368.480 2.015 30 40 FEEB CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(CC#N)cc1 84631214 IDVQGKYTBYIYCF-INIZCTEOSA-N 353.426 2.498 30 40 FEEB COc1cc(N2CCOCC2)ccc1/C=N/Nc1ncccc1[N+](=O)[O-] 409242189 VEUNGLGGBSTHNS-XDHOZWIPSA-N 357.370 2.281 30 40 FEEB CC[C@H](NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)O 26920485 YRUXJRNAJLNUKP-ACJLOTCBSA-N 354.406 2.250 30 40 FEEB COCCN1C(=O)C(O)=C(C(=O)C2CC2)[C@@H]1c1ccc(OC)c(OC)c1 16839837 UJNPWXGPPQUSMS-INIZCTEOSA-N 361.394 2.025 30 40 FEEB Cc1ccc(C(=O)NC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)o1 51463544 NIJHZDBMALFUHV-UHFFFAOYSA-N 366.421 2.293 30 40 FEEB CCOc1cc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)ccc1O 100231818 YTDUBYPQQWZWGR-LRRYFCSUSA-N 352.390 2.178 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)CCC2CCCC2)CC1 27122627 ABASARHLOSZYQI-FQEVSTJZSA-N 362.518 2.155 30 40 FEEB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C1=O 58217399 WGALBTOZHWHSAI-SFHVURJKSA-N 368.418 2.220 30 40 FEEB N#Cc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 11372782 LUXCGYZHKMUONR-UHFFFAOYSA-N 362.389 2.054 30 40 FEEB CSc1c(C)c(C#N)c(=O)n(NC(=O)COc2ccc(C#N)cc2)c1C 7007273 UQYGZTCYXLJROS-UHFFFAOYSA-N 368.418 2.080 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408585531 ZFEPRDRTQYUJHD-UHFFFAOYSA-N 372.874 2.242 30 40 FEEB N#Cc1ccc(OC[C@]23COC[C@H]2CN(C(=O)c2ccsc2)C3)nc1 96109105 ZGFONYJCCRTGCW-QAPCUYQASA-N 355.419 2.182 30 40 FEEB CCOc1ncccc1C(=O)N[C@H]1CC[C@H](Oc2nccnc2C#N)CC1 252540560 PMPWZODLKDIEQR-HDJSIYSDSA-N 367.409 2.262 30 40 FEEB CC(C)n1nnnc1SCC(=O)Nc1c(C#N)cnn1-c1ccccc1 58191630 RUBQPUOCQJHLCR-UHFFFAOYSA-N 368.426 2.042 30 40 FEEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1CC 4158996 YRVMJLKASUVULQ-SUQMRRJOSA-N 350.400 2.263 30 40 FEEB COC(=O)c1cc(NC(=O)O/N=C\c2cccnc2)cc(C(=O)OC)c1 5575052 OYCHPBWQNUMGBM-GRSHGNNSSA-N 357.322 2.237 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 6024061 MVKWXKFQPMQTRK-UHFFFAOYSA-N 360.435 2.477 30 40 FEEB Cc1ccc(C[C@@H](C#N)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N)cc1 12565997 SWLNZURHTASCRH-INIZCTEOSA-N 372.432 2.402 30 40 FEEB COc1cc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1OC 3308299 UUCBQYQJIRDRKW-YBFXNURJSA-N 361.398 2.301 30 40 FEEB CCc1cc(N(C)CC(=O)NCCOC)n2c(nc3ccccc32)c1C#N 8375780 UZRRLKZXPVVTCR-UHFFFAOYSA-N 365.437 2.120 30 40 FEEB CCOC(=O)CN1C(=O)/C(=N\NCc2ccccc2C)c2ccccc21 84793488 WKAIVAKIMWHSKD-QOCHGBHMSA-N 351.406 2.399 30 40 FEEB CCOc1ccccc1/C=N\NS(=O)(=O)c1ccc(NC(C)=O)cc1 17147982 UHJHVTNAXUWTMH-PDGQHHTCSA-N 361.423 2.356 30 40 FEEB N#Cc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1 4945384 MULSSYSQDSQBHV-UHFFFAOYSA-N 358.404 2.293 30 40 FEEB CCc1cccc2c(C(=O)Cn3cc(C(=O)OC)cc(C#N)c3=O)c[nH]c12 25963481 BYFMHFZTXLYMPV-UHFFFAOYSA-N 363.373 2.433 30 40 FEEB Cc1ccc2nc(SCC(=O)N[C@@](C)(C#N)C(C)C)n(C)c(=O)c2c1 48332426 IYHULSOGZGMFKV-SFHVURJKSA-N 358.467 2.389 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N\[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408533231 JQNGRUNUJDZYTA-BGOMIBHCSA-N 355.394 2.154 30 40 FEEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218187898 VMZGUXZAYLUGGS-DYEKYZERSA-N 372.240 2.033 30 40 FEEB Nc1nc(Cl)c(/C=N/Nc2cccc(C(=O)O)c2)c(N2CCCC2)n1 42644300 JAJWEKNFGCGRMH-DJKKODMXSA-N 360.805 2.457 30 40 FEEB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccccc1 5289666 HPLHMWJTLYSRNG-HZHRSRAPSA-N 367.457 2.145 30 40 FEEB Cn1cc(-c2nc(C(=O)NCCNc3cccc(F)c3C#N)cs2)cn1 40154785 QZROLKDNSABVEA-UHFFFAOYSA-N 370.413 2.396 30 40 FEEB N#Cc1ccccc1OCCN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 47349388 WZXVMARKPAYRJG-FQEVSTJZSA-N 363.373 2.167 30 40 FEEB CN1/C(=C\C(=O)CSc2nc(N)nc(N)n2)C(C)(C)c2ccccc21 23652244 VUTBOGYZVWGUKR-JYRVWZFOSA-N 356.455 2.009 30 40 FEEB CCn1nc([N+](=O)[O-])c([C@@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O 12569751 KDKYCEBEROHJGC-SECBINFHSA-N 372.772 2.367 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@@]12C#N 103027971 AWROAYYIUQYNID-KWCYVHTRSA-N 351.193 2.428 30 40 FEEB CCCCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@]12C(=O)Nc1ccccc12 5024806 KWHAESQSYYPMNU-FQEVSTJZSA-N 370.405 2.283 30 40 FEEB CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 8883914 PPCJEHOOHMAZRQ-UHFFFAOYSA-N 363.483 2.264 30 40 FEEB COc1cc(N2CCOCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cn1 409240219 KBUCOXKXPPNRIJ-YBFXNURJSA-N 357.370 2.281 30 40 FEEB CCOC(=O)COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409098130 ILYXCOFUBBZJNM-VXLYETTFSA-N 374.353 2.386 30 40 FEEB N#Cc1cccc(CN2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)c1 247633238 CEMCBJOJUDTIAK-VQTJNVASSA-N 352.438 2.205 30 40 FEEB O=C(NCCCCCNC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F 2765406 WPJWVKMDQAMSFT-UHFFFAOYSA-N 358.229 2.190 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl 28208094 JEKNTPSLMJUVCT-UHFFFAOYSA-N 360.863 2.052 30 40 FEEB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)CC1 12778311 WLGNFBKJQOTOIQ-CQSZACIVSA-N 357.410 2.343 30 40 FEEB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O 5167944 FIKBGLLPDAENHL-KRWDZBQOSA-N 374.828 2.060 30 40 FEEB C=CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4611172 PVFDADKUOVTCSZ-LFIBNONCSA-N 350.374 2.488 30 40 FEEB COc1cccc2[nH]c3c(=O)n(/N=C/c4ccc(F)cc4)c(=O)[nH]c3c12 4925923 UGRGJCSTVDOCEJ-AWQFTUOYSA-N 352.325 2.201 30 40 FEEB N#CC1(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCC1 95999160 KXPORDIIKXVNKP-MRXNPFEDSA-N 373.478 2.064 30 40 FEEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2S(=O)(=O)c1ccccc1F 96082493 UYXXCVPIYPDMDW-YSVLISHTSA-N 355.431 2.196 30 40 FEEB C#CC(C)(C)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248230341 ABSFHWNDWNMKMP-DKFLWKDZSA-N 352.434 2.469 30 40 FEEB N#Cc1cccnc1N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 2298051630 UXUQNKQZNDMEBN-UHFFFAOYSA-N 361.405 2.391 30 40 FEEB CCOC(=O)[C@H](C#N)c1nc(C)nc2c1nnn2Cc1ccccc1Cl 1345205 UNHMPXJRHORWSL-GFCCVEGCSA-N 370.800 2.402 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1C 5339624 IKYZGFGSYIWHMY-HJPHCXOUSA-N 352.481 2.315 30 40 FEEB Cc1cc(C)c(NC(=O)CN(C)CC(=O)NC2(C#N)CCCC2)c(C)c1 8203112 AFHXXCPWOFCWHX-UHFFFAOYSA-N 356.470 2.435 30 40 FEEB Cc1nc(CN2CCN(C(=O)Nc3cc(C)n(CCC#N)n3)CC2)cs1 271192368 SKSCJIXRSCGCKP-UHFFFAOYSA-N 373.486 2.220 30 40 FEEB COc1cc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)ccc1C#N 592368591 GPVPNEGUUJTTNS-PXNSSMCTSA-N 350.422 2.271 30 40 FEEB CN(C)/N=C1\C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21 19804857 CTKUEQNSDHIPJC-XDOYNYLZSA-N 363.465 2.079 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1 102483655 DLDRXMAXSSPWMD-DPEHCCBOSA-N 372.333 2.256 30 40 FEEB N#C[C@H](C(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1nc2ccccc2[nH]1 104268401 JHWPSDWPELTFGM-MGPQQGTHSA-N 362.389 2.080 30 40 FEEB C=CCNC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18028978 MSFKEFJIWPKREO-ZAYGCWILSA-N 372.424 2.181 30 40 FEEB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC1(C#N)CCCCC1 11461042 YJNNSRPXKCTRHL-ZDUSSCGKSA-N 367.405 2.416 30 40 FEEB COc1ccc(/N=C2\N=C(O)C[C@H](C(=O)NCCc3ccccc3)N2)cc1 9061047 BFJMIULCWFGSEY-QGZVFWFLSA-N 366.421 2.360 30 40 FEEB C=CCN(Cc1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccc(OC)cc1 191949571 FCSSITCVBVMJEL-UHFFFAOYSA-N 374.462 2.432 30 40 FEEB C=CCN1C[C@@H]2CN(C(=O)c3csnn3)CC[C@@]2(c2ccccc2)C1 248178415 XDLIRAXVOWNIIO-APWZRJJASA-N 354.479 2.440 30 40 FEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(O)c(Br)c1 254557088 GDDOPJBRRRNCHI-TXFQPVFDSA-N 361.195 2.296 30 40 FEEB CCCn1c(SCC(=O)Nc2c(C#N)oc3ccccc23)n[nH]c1=O 13984427 AOODFJHVDJRDGW-UHFFFAOYSA-N 357.395 2.330 30 40 FEEB C[N+]1(CC(=O)Nc2ccccc2Cl)CCN(C(=O)c2ccco2)CC1 3192258 OALIWWSRDXXLKV-UHFFFAOYSA-O 362.837 2.474 30 40 FEEB Cc1cc(=O)n2c(n1)CC[C@]1(CCN(C(=O)C3(C#N)CCCC3)C1)CC2 1614938158 VTWCHCGZLQKQSW-IBGZPJMESA-N 354.454 2.191 30 40 FEEB COc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(OC)c1OC 849594 RBKRKGPHWHICOM-GZTJUZNOSA-N 350.396 2.025 30 40 FEEB CC(C)=NOC1(ON=C(C)C)N=C(N)[C@]2(C#N)[C@@H](C(=O)C(C)(C)C)[C@]12C#N 105106550 XIHJFXWXSRVLBY-DQYPLSBCSA-N 372.429 2.101 30 40 FEEB C[N+](C)(CC#CCOC/C=C/c1ccccc1)CCCS(=O)(=O)O 2310674 ASFPIJHLNMRIKD-XYOKQWHBSA-O 352.476 2.074 30 40 FEEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)OC12C(=O)c1ccccc1C2=O 17860825 VKDQKIUALXYYJG-ZHACJKMWSA-N 360.321 2.456 30 40 FEEB biogenic COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)c1C 8719305 FNEMCEQCLAKEEU-GFCCVEGCSA-N 369.377 2.474 30 40 FEEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6671907 YXMAGCHSAOVBEC-STQMWFEESA-N 366.464 2.066 30 40 FEEB N#Cc1nc(N)n(Cc2csc(COc3ccc(F)cc3)n2)c1C#N 95349523 BGUUFNZAKGSYJV-UHFFFAOYSA-N 354.370 2.432 30 40 FEEB CCN1CCN(c2nn(-c3ccc(Br)cc3)nc2C#N)CC1 256047194 LALBXRKMAULMRK-UHFFFAOYSA-N 361.247 2.043 30 40 FEEB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC#N)c(OCC)c1 16688893 FCRSBXKSZQLHKX-MRXNPFEDSA-N 359.382 2.179 30 40 FEEB Cc1cc(C)n2nc(CCCNC(=O)c3n[nH]c4ccccc34)c(C#N)c2n1 40088577 GNDIZZGSKBJUMH-UHFFFAOYSA-N 373.420 2.457 30 40 FEEB CN(C)c1ccc(/C=C2/SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 23230189 ZOFXMLDZFLITKR-SAPNQHFASA-N 369.494 2.254 30 40 FEEB C=CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCC=C 3145201 PMNNWSRZXSLTOO-UHFFFAOYSA-N 368.224 2.132 30 40 FEEB C/N=C1/S/C(=C/C(=O)O)C(=O)N1CCc1c[nH]c2ccc(OC)cc12 5274647 FFUDXORWYTXYGF-LEOYLKIESA-N 359.407 2.249 30 40 FEEB CCOc1cc(C#N)ccc1OCC(=O)Nn1c(C2CC2)n[nH]c1=S 9313752 GQJFJPRPVVDNIJ-UHFFFAOYSA-N 359.411 2.238 30 40 FEEB Cc1cc(C#N)nc(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)n1 557627884 QMPRGCFIKNJYHI-LBPRGKRZSA-N 350.344 2.939 30 40 FEEB C=CCNC(=O)N1CCC(O)(c2csc(CN(CC)CC)n2)CC1 225463559 NTURFARKYXQKGZ-UHFFFAOYSA-N 352.504 2.164 30 40 FEEB biogenic,in-vitro Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2ccc(F)cc21 88266395 VBWIZZSXGYNRNJ-UHFFFAOYSA-N 355.369 2.361 30 40 FEEB CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CCN2CCC[C@H]2C1 245230330 PKFJLOBBSGMIMS-ZWKOTPCHSA-N 365.485 2.169 30 40 FEEB Cc1nn(CC(=O)c2sccc2Br)c(=O)c(C#N)c1C 42153794 COICGVVUFDIJKK-UHFFFAOYSA-N 352.213 2.439 30 40 FEEB Cc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2C#N)cc1 24215213 ZUQSIPFPORGSET-UHFFFAOYSA-N 360.395 2.165 30 40 FEEB C=CC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]1C[C@@H]([C@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 101327213 LSVIWPNZJIGKRQ-CCXLFKKDSA-N 367.513 2.255 30 40 FEEB CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc(C#N)cc2)c2c(n[nH]c2O)C[C@@]1(C)O 106823161 WCUPRTCWMOCUQC-PTSWNOGYSA-N 369.421 2.384 30 40 FEEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CC)nnc12 3599459 PVOXBDCDWBDKNA-GFCCVEGCSA-N 371.466 2.237 30 40 FEEB C#CCOc1c(Br)cc([C@@H]2N[C@H](C(=O)O)CS2)cc1OC 408814696 HLXJBMMQOCTOTJ-GXFFZTMASA-N 372.240 2.258 30 40 FEEB COc1ccc(OC)c(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 5012167 UZCYSGPWCUGFGO-UHFFFAOYSA-N 350.378 2.297 30 40 FEEB CC1=CC(=O)/C(=C\Nc2cccc(C(=O)Nc3nnc(C)s3)c2)C(=O)O1 1547200805 HLMOHDHQGGOFEN-MDWZMJQESA-N 370.390 2.424 30 40 FEEB Cc1ccc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1C 70462171 PYQPSKPEEGKKST-UHFFFAOYSA-N 364.449 2.485 30 40 FEEB C=CCNC(=O)CCCn1nc(-c2ccc(OC)cc2)c(OC)cc1=O 96100938 CJVSCYVQFCPUNU-UHFFFAOYSA-N 357.410 2.010 30 40 FEEB N#Cc1ccc(CN2CC[C@@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cc1 253614406 BGNADSOGGYZTSL-FPOVZHCZSA-N 353.466 2.409 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(CC[C@@H](CN4CCCCC4=O)CO3)C2)c1 575405513 SZPBFHPGZJQMKR-KRWDZBQOSA-N 367.449 2.192 30 40 FEEB CNC(=S)N/N=C\c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 5759158 GWZGNAKQSKVUKP-JMIUGGIZSA-N 371.853 2.467 30 40 FEEB C=CCNc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 8225441 XXINWTMJZGFRGO-UHFFFAOYSA-N 365.480 2.429 30 40 FEEB N#CC1(C(=O)N2CCOC[C@@H]2c2nccc(NC3CCC3)n2)CCCC1 1614928984 VJJXVCJPGALZKJ-OAHLLOKOSA-N 355.442 2.425 30 40 FEEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\CC(C)C)NC2=O)c([N+](=O)[O-])c1 7883485 FXNLCPBZXBXNCT-CYBMUJFWSA-N 364.427 2.475 30 40 FEEB COc1ccc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)cc1OC 12371169 FYEVYTIYUXVOQT-IUXPMGMMSA-N 355.346 2.184 30 40 FEEB biogenic,in-vitro CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309744 DBMHIDLKZJEAQN-LIQUWIDJSA-N 370.540 2.318 30 40 FEEB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(CC(=O)NCCC#N)c2ccccc21 58289537 NLOANMLWZPHKIA-ZOBUZTSGSA-N 356.470 2.313 30 40 FEEB N#Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537689 WRKGWLSZBPBFDS-CYBMUJFWSA-N 350.309 2.299 30 40 FEEB N#Cc1cnn(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)cc2)c1N 66240511 XFTKNHNOKDYFRI-UHFFFAOYSA-N 372.388 2.463 30 40 FEEB CCc1ccc2nc(N=C3NCN(Cc4ccccn4)CN3)nc(C)c2c1 19330378 ZEPVGHATAILNNV-UHFFFAOYSA-N 361.453 2.493 30 40 FEEB COc1ccc2nc(Cl)c(/C=N/N[C@@H]3CCS(=O)(=O)C3)cc2c1 7982036 HUAMVHLHQMMJRD-VQGSWFTOSA-N 353.831 2.007 30 40 FEEB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(CC#N)cc2)cc1 224594995 MSTZKBGRPYFCCM-UHFFFAOYSA-N 374.418 2.431 30 40 FEEB N#Cc1cn(CCC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c(=O)nc1O 602051802 FGQYIAGTEVTFRB-HNNXBMFYSA-N 372.812 2.228 30 40 FEEB C[C@@H](OC(=O)c1ccccc1CC#N)C(=O)NCc1ccc2c(c1)OCO2 22558457 TXADSEFWRRPUJL-CYBMUJFWSA-N 366.373 2.343 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087126158 GOVYIOXOYYWQJD-OAHLLOKOSA-N 364.396 2.033 30 40 FEEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc2ccccc2c1 8300618 LYYAOIOMXZYARV-ZYSHUDEJSA-N 354.475 2.462 30 40 FEEB biogenic,in-vitro C=C(Br)CNC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 103845711 WWIANQSJOALRMD-KCNJBTMXSA-N 355.276 2.486 30 40 FEEB Cc1cc(NC(=O)CSCC(=O)N(CCC#N)Cc2ccco2)no1 58162410 WKSPFEBDOAQLBO-UHFFFAOYSA-N 362.411 2.190 30 40 FEEB C=CCN/C(S)=C(\C(=O)c1ccc2c(c1)NC(=O)CO2)[n+]1ccccc1 12624767 KLBZYDRWMRDJHB-UHFFFAOYSA-O 368.438 2.019 30 40 FEEB C=CCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12 5072313 BNUHFRQWWKJRLJ-WYMPLXKRSA-N 371.404 2.360 30 40 FEEB COc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1 409005019 CBGMATSTZMJLJA-UFFVCSGVSA-N 351.366 2.186 30 40 FEEB COc1cccc(/C=N/N(CCC#N)C2=NS(=O)(=O)c3ccccc32)c1 59417233 ZUXIQKFBWRXESW-DEDYPNTBSA-N 368.418 2.394 30 40 FEEB C=CCc1c(COC)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O 22448662 YVIZKJPSHCMJGR-UHFFFAOYSA-N 358.417 2.111 30 40 FEEB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCC#N 3353577 BMYZGMJQSIOKFD-GQCTYLIASA-N 371.349 2.089 30 40 FEEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(OCC(N)=O)c1 8721500 PSOVJMFDELXIED-LJQANCHMSA-N 367.405 2.312 30 40 FEEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408535986 PJLNUYKQZOZXKJ-GVAFMPQTSA-N 355.394 2.281 30 40 FEEB O=S(=O)(c1ccc(N/N=C/c2ccccc2O)nc1)N1CCCCC1 6784352 LMNMGVOZYIBMAI-XDHOZWIPSA-N 360.439 2.408 30 40 FEEB C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OCC)c1OCCC 409072348 BTWCASAFCLEONZ-UHFFFAOYSA-N 358.394 2.352 30 40 FEEB CCCn1c(=O)n(C)c(=O)c2c(SCC3(C#N)CC3)nc(C(C)C)nc21 535041214 YXWTVTXOSLZZGE-UHFFFAOYSA-N 373.482 2.419 30 40 FEEB Cn1ccnc1CN1CCC[C@]2(COCCN(c3cccc(C#N)c3)C2)C1 96229001 YNFCPXZOBBCFQJ-NRFANRHFSA-N 365.481 2.411 30 40 FEEB O=[N+]([O-])c1cccc(/C=N\NS(=O)(=O)c2ccc(Cl)cc2)c1O 5810032 VBVMOMGAPOAISS-NVNXTCNLSA-N 355.759 2.266 30 40 FEEB C=CCn1ncc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1C 12122089 UEEYBRMYXJDWHA-UHFFFAOYSA-N 362.437 2.493 30 40 FEEB CC(C)n1c(N/N=C/c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 12575037 BBBHPXJKMWGXSO-DJKKODMXSA-N 374.832 2.114 30 40 FEEB Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccc(F)cc3F)c2=O)o1 7554919 RIJZNYDLVNVNFH-APSNUPSMSA-N 369.352 2.105 30 40 FEEB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 585149819 PZOOKSZWHKBPFJ-IRXDYDNUSA-N 353.466 2.479 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H](C)c2ccc(F)cc2F)c1C#N 32776408 ANLQTVOBXTWIRZ-MRVPVSSYSA-N 364.377 2.198 30 40 FEEB N#Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 32721146 KEQYPCXYACZODH-UHFFFAOYSA-N 371.418 2.301 30 40 FEEB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C#N)cc3)C2=O)cc1 4545304 KMOLLDCUAFHXLP-LICLKQGHSA-N 360.373 2.398 30 40 FEEB COc1ccccc1C/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408535948 PEOUYKWAUIGCLF-FARSJZKLSA-N 369.421 2.149 30 40 FEEB CCOCCn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225871135 PGFWRHSBZSRRPY-UHFFFAOYSA-N 357.433 2.444 30 40 FEEB C#CCN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)NCC=C)c1 60185016 ZFFBUAOXNPDLCG-UHFFFAOYSA-N 358.419 2.020 30 40 FEEB N/C(S)=N/N=C\c1cc(Br)cc(Br)c1O 19909472 KOUSSFCOFUJIJA-BASWHVEKSA-N 353.039 2.496 30 40 FEEB C=CCN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298137 OBLDXPMLBOZDAR-QRVBRYPASA-N 365.481 2.300 30 40 FEEB biogenic,in-vitro Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CNC(=O)NC1CC1 57090390 OLBNMVKJFABNDC-UHFFFAOYSA-N 365.393 2.454 30 40 FEEB C=CCn1c(C)nn(CN2CCN(C(=O)c3cccs3)CC2)c1=S 58260868 IJUNZRYQVMYYDS-UHFFFAOYSA-N 363.512 2.386 30 40 FEEB COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(O)c(OC)c1 5045095 XZHGIKYKTUSZKE-MRXNPFEDSA-N 373.361 2.219 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 5489604 CVCNKGUARBFDBW-QPRSIOOTSA-N 352.481 2.315 30 40 FEEB C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 15359024 LFYPBQCWTYVUGH-GFCCVEGCSA-N 364.448 2.001 30 40 FEEB Cc1oc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C#N)c1C 25948756 GADLPMQMASXIRW-UHFFFAOYSA-N 366.421 2.165 30 40 FEEB CC/N=C1/S/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C(=O)N1CC 408930471 XMHNWIVPPUWWGA-CFYUHYMKSA-N 364.423 2.471 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(CC[C@H](CN4CCCCC4=O)CO3)C2)c1 575405519 SZPBFHPGZJQMKR-QGZVFWFLSA-N 367.449 2.192 30 40 FEEB N#CC1(NC(=O)COC(=O)c2cc3ccccc3oc2=O)CCCCC1 5739026 AVPPVXBWSUAWSQ-UHFFFAOYSA-N 354.362 2.292 30 40 FEEB COc1c2c(cc3c1[C@@H](C/C(CCn1cccn1)=N/O)N(C)CC3)OCO2 36025450 QGFSLBRAWVJUHB-HFITWMCCSA-N 372.425 2.460 30 40 FEEB biogenic Cc1cccc2c(=O)n(CC(=O)N(CCC#N)Cc3ccco3)cnc12 58203055 DHJOIBJSWHGBAA-UHFFFAOYSA-N 350.378 2.240 30 40 FEEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1 3284973 IWULWXLOGSLQGB-UHFFFAOYSA-N 363.373 2.481 30 40 FEEB C#CCCN1CCN(C(=O)c2cc(OC)ccc2Br)CC1 58355925 ZAOGKOKGNHRAKF-UHFFFAOYSA-N 351.244 2.239 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309742 DBMHIDLKZJEAQN-AHHDMHGASA-N 370.540 2.318 30 40 FEEB N#Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CC(c3ccccc3)=NO2)cc1 48504013 QHYQPGYHCZLLFG-INIZCTEOSA-N 355.375 2.397 30 40 FEEB C[C@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)Nc1sccc1C(N)=O 12959733 LJGQTUJXLIDTNX-NSHDSACASA-N 371.418 2.222 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN)[C@H]2c2ccccn2)cc1 3766473 AJSRSOZGNBAAPV-KRWDZBQOSA-N 367.405 2.017 30 40 FEEB Cc1ccnc(S(=O)(=O)/N=C(\O)c2cccc(NC(=O)NC3CC3)c2)c1 95959561 CQFIXQLMDHTTQJ-UHFFFAOYSA-N 374.422 2.367 30 40 FEEB N#Cc1ccc(Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)cc1 32831905 XTSFLKYIIDSQDM-UHFFFAOYSA-N 372.344 2.410 30 40 FEEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)O)cc1 218092614 SYKBMHDJNOROTH-JZXOWHBKSA-N 357.387 2.229 30 40 FEEB Cc1ccc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462164 CQOSNQSCAOTBMK-UHFFFAOYSA-N 350.422 2.177 30 40 FEEB CCn1cc(C#N)c(=O)n(Cc2ncc(-c3cccc(Cl)c3)o2)c1=O 28190167 MDBSFUMCWKYNEA-UHFFFAOYSA-N 356.769 2.258 30 40 FEEB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCCN(c2ccccc2C#N)CC1 52801250 QEHMOCVNLNXUJO-HNNXBMFYSA-N 371.485 2.083 30 40 FEEB C=CCN(CC=C)C(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 7984312 POSNXYJDFRKQQE-UHFFFAOYSA-N 373.377 2.040 30 40 FEEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2cccc([N+](=O)[O-])c2)n1 10338897 QGDHTOORXFUOIS-UHFFFAOYSA-N 363.337 2.311 30 40 FEEB COc1ccc(/C=N/n2c(O)nc3c([nH]c4ccc(OC)cc43)c2=O)cc1 2277490 NXEATWKIIOJNLP-KEBDBYFISA-N 364.361 2.483 30 40 FEEB Cn1ncc(C#N)c1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 11226827 MBJXMFCGNKZWBU-UHFFFAOYSA-N 370.372 2.243 30 40 FEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1 3578086 VWVCXXMBEQBSNJ-UHFFFAOYSA-N 365.389 2.054 30 40 FEEB CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C#N)o2)C(=O)NC1=S 409393174 VANROCRLFNCZKJ-NTEUORMPSA-N 351.387 2.465 30 40 FEEB N#C[C@@H](C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1nc2ccccc2[nH]1 4013370 JHWPSDWPELTFGM-MJBXVCDLSA-N 362.389 2.080 30 40 FEEB Cc1ccc(C(=O)O)cc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N 5182951 BUYJZDLPOKAMJO-UHFFFAOYSA-N 362.389 2.297 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 5369968 SSCTXESVJNZKCE-XJFZTKQQSA-N 352.481 2.397 30 40 FEEB Cc1ccc(C)c(NC(=O)Cc2nc(Cn3cnc(C#N)n3)cs2)c1 14141646 KRZPQQBYGIOFTK-UHFFFAOYSA-N 352.423 2.453 30 40 FEEB COc1ccc(C(=O)O/N=C(\N)Cc2cc(OC)c(OC)c(OC)c2)cc1 85413296 KIWXPQMDQMHIKD-UHFFFAOYSA-N 374.393 2.393 30 40 FEEB Cn1c(CNS(=O)(=O)c2ccc(C#N)cc2Cl)nnc1C1CCC1 125785845 LIKTUPPWRVPWRQ-UHFFFAOYSA-N 365.846 2.086 30 40 FEEB COC(=O)[C@H](Nc1ccc(C)cc1)[C@]1(O)OC(c2ccccc2)=CC1=O 16293149 RSTKEMBGEHGOAV-AZUAARDMSA-N 353.374 2.278 30 40 FEEB Cc1cc(=O)n2c(n1)CC[C@@]1(CCN(C(=O)C3(C#N)CCCC3)C1)CC2 1565555198 VTWCHCGZLQKQSW-LJQANCHMSA-N 354.454 2.191 30 40 FEEB Cc1cc(N2C(=O)C[C@H](S/C(=N\C#N)Nc3ccccc3)C2=O)no1 113481361 QCRVIUFQRVFWTH-LBPRGKRZSA-N 355.379 2.297 30 40 FEEB C=C(Br)CNC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 103469618 UXUKGOYSPQSTOZ-UHFFFAOYSA-N 368.256 2.344 30 40 FEEB COc1ccc(OCCN2CCN(c3nnc(C)c(C)c3C#N)CC2)cc1 24054095 NVIKGWFZXUZKII-UHFFFAOYSA-N 367.453 2.175 30 40 FEEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1SC 62716345 KIRVQHWKBACFIQ-MRXNPFEDSA-N 364.379 2.100 30 40 FEEB Cc1ccc(-n2nnnc2SC[C@@H](O)COc2ccc(C#N)cc2)cc1 10079857 BIFUALXGSPZXOE-INIZCTEOSA-N 367.434 2.374 30 40 FEEB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1/N=C/c1c(Cl)cccc1Cl 105359554 LORUPXIIOJNQSW-LGYSFZEESA-N 364.279 2.476 30 40 FEEB C#CCOc1ccccc1/C=N/n1c(S)nnc1-n1nc(C)cc1C 7757365 ONIGRUJZIWMJEQ-WOJGMQOQSA-N 352.423 2.264 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3F)C2=O)c1 408533645 KJORCZWOIGTRGA-ZDUSSCGKSA-N 355.325 2.436 30 40 FEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C(=O)O)cc1 242677093 SYKBMHDJNOROTH-JFIYKMOQSA-N 357.387 2.229 30 40 FEEB C=CCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CC 5412890 XCHHFSMCZKQTAI-HOTGVXAUSA-N 350.484 2.416 30 40 FEEB biogenic,in-vitro COc1ccc(C(=O)[C@H]2C(C#N)(C#N)[C@@]23CC[C@H]2CO[C@H]3O2)cc1OC 100249607 DGCMRHAWYXCCBH-ZQINRCPSSA-N 354.362 2.072 30 40 FEEB biogenic Cc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24574750 VWWUEVDFKJVFJY-UHFFFAOYSA-N 355.463 2.373 30 40 FEEB N#Cc1ccccc1S(=O)(=O)N1CCN(CCc2ccccc2)CC1 35355377 WUQVZTJTBPYRNC-UHFFFAOYSA-N 355.463 2.107 30 40 FEEB C=CCNC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 10210310 FLMTUUXUZKGAFT-CYBMUJFWSA-N 361.398 2.290 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 5372253 MZQOWKNYSMRNTM-OEEGZLJJSA-N 362.835 2.100 30 40 FEEB CON(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(C#N)cc2)c1 6940978 PIZUKQFWAYMZRA-UHFFFAOYSA-N 360.391 2.097 30 40 FEEB CC(C)n1ncc(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1N 95466507 VRFQPMPDDRYSTC-UHFFFAOYSA-N 373.438 2.457 30 40 FEEB O=c1cccc2n1C[C@@H]1C[C@H]2CN(/C(=N\O)c2cnc3ccccc3n2)C1 66087832 OGOADDPJQPPQPT-YLOJKYKLSA-N 361.405 2.047 30 40 FEEB Cc1nn2c(nnc3c(=O)n(CCS)ccc32)c1-c1ccc(F)cc1 40391854 ASIKQDSKYUVFRY-UHFFFAOYSA-N 355.398 2.484 30 40 FEEB CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)COC 101451775 SOKFVFDEIKLZEA-HOTGVXAUSA-N 371.522 2.029 30 40 FEEB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cn2ccccc2c1C#N 58345067 ATDKZNFPBUUYQB-CYBMUJFWSA-N 366.446 2.410 30 40 FEEB CN1CCN([C@H]2CCCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1 91688253 OSWSHLFMAZVFFA-IBDYFIJFSA-N 352.482 2.200 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2F)C1=O 408535875 OWDRSMGYNWVZEM-NSHDSACASA-N 355.325 2.436 30 40 FEEB COc1ccccc1C/N=C\[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408535945 PEOUYKWAUIGCLF-BCOMNORBSA-N 369.421 2.149 30 40 FEEB N#Cc1cccc(C(=O)N2Cc3cncn3[C@@H](C(=O)NC3CCCC3)C2)c1 585096142 UQAXEWLFJVDYND-GOSISDBHSA-N 363.421 2.011 30 40 FEEB C/C(=N/NC1=NC(=O)[C@H](CC(=O)O)S1)c1ccc(Br)cc1 6014527 BTWUVWNJCQXANQ-QOZZSIDGSA-N 370.228 2.235 30 40 FEEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1 102695697 MZLRTHJPLRKSHT-SELCWUDQSA-N 365.433 2.373 30 40 FEEB CC(C)Cc1nc(OCC(=O)N2CCOCC2)c(C#N)c2c1CCCC2 12324804 SIKLZDNCQSZPBB-UHFFFAOYSA-N 357.454 2.268 30 40 FEEB O=C(Nc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2)cc1)[C@H]1CCCO1 1053908 GXVKYWLFDPWDFG-MRXNPFEDSA-N 374.418 2.498 30 40 FEEB C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)c1ccc(N2CCCCC2)nc1 58355286 VTSPOOVJSAWYFK-NVXWUHKLSA-N 373.501 2.404 30 40 FEEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)cc1 48420189 NWNVOYYLIJHEBV-UHFFFAOYSA-N 360.391 2.273 30 40 FEEB N#Cc1cccc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)c1 12915767 UBTWOPFKPHLJET-UHFFFAOYSA-N 352.419 2.282 30 40 FEEB O=C1CCc2cc(S(=O)(=O)/N=C(\O)CC[C@H]3CCCO3)ccc2N1 48644451 LTFIWBBUPSABOJ-GFCCVEGCSA-N 352.412 2.176 30 40 FEEB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1cnc(C#N)n1 14143740 LEKNBBNOPWVHQN-UHFFFAOYSA-N 371.378 2.287 30 40 FEEB S=C(NCCN1CCOCC1)N/N=C/c1cccc(Cl)c1Cl 20786258 YTJYHTFTSFNNHJ-VCHYOVAHSA-N 361.298 2.124 30 40 FEEB CCOc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 907377 VTNVJZYVEMKXNB-UHFFFAOYSA-N 357.435 2.456 30 40 FEEB CCCCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@@]12C(=O)Nc1ccccc12 2215774 KWHAESQSYYPMNU-HXUWFJFHSA-N 370.405 2.283 30 40 FEEB N#Cc1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1 12975874 XDDFKFBHHXMAIP-ACCUITESSA-N 355.419 2.477 30 40 FEEB Cc1nc(N/C(N)=N/C(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc12 9046702 UHVRAFNXWUHMGD-UHFFFAOYSA-N 350.338 2.413 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 5516186 PDXHWEYEOZMVCB-VVMFYBRISA-N 358.872 2.351 30 40 FEEB N#Cc1c(NC(=O)COC(=O)C2=COCCO2)sc2c1CCCCC2 4871230 XMUKIBQKCNBWIG-UHFFFAOYSA-N 362.407 2.259 30 40 FEEB COC[C@H](C)n1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)c1C 7534882 CQPMKMQDBFKFKO-LBPRGKRZSA-N 372.381 2.137 30 40 FEEB C=CCOc1ccc([N+](=O)[O-])cc1C=Nn1c(O)nc2ccccc2c1=O 409355190 BWSAHEUKGGHDDV-UHFFFAOYSA-N 366.333 2.457 30 40 FEEB Cc1nc(C)c(CC/C(O)=N/[C@H]2CCCN(c3cccnn3)C2)c(O)n1 329574681 JRRXGMHJHXDYJP-AWEZNQCLSA-N 356.430 2.147 30 40 FEEB CS(=O)(=O)c1nc(Nc2cc(F)cc(C#N)c2)ncc1Br 144214211 XHNOGLTZDZITCM-UHFFFAOYSA-N 371.191 2.397 30 40 FEEB O=S(=O)(NCC#CCOc1ccc2c(c1)OCO2)C1CCCCC1 90731039 RFJABSLWFYYECZ-UHFFFAOYSA-N 351.424 2.050 30 40 FEEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC[C@H]4CO)[C@H]3[C@@H]3O[C@@]132 105366558 WVSCSEOKEKFLHB-KXCZEBDGSA-N 363.498 2.359 30 40 FEEB biogenic Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 55403500 CFCUVQQJLWWLBR-KBPBESRZSA-N 358.486 2.033 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccncc1 100914332 FKMJZFFFQKRUJO-QWNKOJSDSA-N 367.405 2.214 30 40 FEEB C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(OC)cc1 867239 HTYNKCMKRJPVFO-UHFFFAOYSA-N 374.466 2.091 30 40 FEEB Cc1ccccc1NC(=O)[C@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N\O 104274146 AQYPQUIGWBJPNA-UFPHYQGISA-N 351.362 2.262 30 40 FEEB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(C#N)cc1 5860372 QANDGKGSPVWZGJ-SFHVURJKSA-N 369.446 2.273 30 40 FEEB COc1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)nc(N2CCCCC2)n1 33709359 XKMWOBCGVQQSRD-GZTJUZNOSA-N 357.374 2.225 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(C(=O)CSc4ccncc4)C[C@H]3C2)nc1 1888866568 OUGZGHPJYSTNTF-IYBDPMFKSA-N 365.462 2.035 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 100937649 QXWGRJKLRCVYDW-OVJMFRMASA-N 372.899 2.347 30 40 FEEB N#Cc1c(N)cc(N)nc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 40073231 APSLYXUCOWTXAF-UHFFFAOYSA-N 369.366 2.368 30 40 FEEB COc1cc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc(OC)c1O 2654268 RBVJKWTYBKEZPA-VCHYOVAHSA-N 364.423 2.339 30 40 FEEB CNC(=O)c1nnn(/N=C\c2ccc(OC)cc2)c1OCc1ccccc1 33337981 CDCZJJORDGQJBC-MTJSOVHGSA-N 365.393 2.108 30 40 FEEB CCOC(=O)C1=C(C)O[C@@](C)(/N=C(\C#N)C(=O)OC)[C@@H]1c1ccccc1 104272086 SIZIZLMFQYOYHY-ZIFNLWPCSA-N 356.378 2.491 30 40 FEEB C=CC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 100743364 LSVIWPNZJIGKRQ-WXWNOBICSA-N 367.513 2.255 30 40 FEEB N#Cc1ccnc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 25233804 ZCZDCRMCDWNOFM-UHFFFAOYSA-N 352.354 2.216 30 40 FEEB C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 56139936 FVJHEEUFYHBKJD-CYBMUJFWSA-N 363.888 2.012 30 40 FEEB CCN(C[C@H]1CCCO1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 58379388 WNLUKNCVVOJXFZ-MRXNPFEDSA-N 355.442 2.178 30 40 FEEB CC(C)c1nc([C@H]2CN(C(=O)C3(C#N)CCOCC3)C[C@@H]2C2CC2)n[nH]1 685942021 LOPBYXLRDLZKSK-CABCVRRESA-N 357.458 2.200 30 40 FEEB CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)N(C)CCC#N 22829828 CPNACXPTMUYNDK-UHFFFAOYSA-N 374.422 2.296 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309647 LQWWUZDUGQSMCA-LIQUWIDJSA-N 370.540 2.462 30 40 FEEB CN1CCC(CNC(=O)Cc2ccc(C#N)cc2)(N2CCCCC2)CC1 172749052 ZLFQSRPZTLPRBR-UHFFFAOYSA-N 354.498 2.167 30 40 FEEB C/C(N)=N\S(=O)(=O)c1cc(Br)ccc1Br 36379776 BJMPAQHMMNHKGO-UHFFFAOYSA-N 356.039 2.277 30 40 FEEB in-vitro C[C@H](NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)c1ccccc1 12734510 HSRJQLLPDGCRPT-AWEZNQCLSA-N 357.435 2.202 30 40 FEEB CCn1c(=O)/c(=C\c2ccc(C)s2)s/c1=C(\C#N)C(=O)C(C)(C)C 12975365 OTGWBKUZMOUGSM-IZLFASKTSA-N 360.504 2.418 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 5148359 DOBCAZWFPRDXNS-HJPHCXOUSA-N 352.481 2.397 30 40 FEEB Cc1c(C)n(CCO)c2ncn3nc(CO/N=C\c4ccccc4)nc3c12 95101276 AJJOJYBYDRGYEN-FBHDLOMBSA-N 364.409 2.239 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1OC 100058707 SDANLBNXRDVLKC-AMBXKLEYSA-N 352.390 2.235 30 40 FEEB C#CCOc1ccccc1CNCc1ccc(N2CCN(C)CC2)nc1 30660960 UHGUBVSNZKQOAM-UHFFFAOYSA-N 350.466 2.135 30 40 FEEB Cc1cc(C)n(-c2ccc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)cc2)n1 32815489 GULBOEOSAGABHD-UHFFFAOYSA-N 361.405 2.067 30 40 FEEB C=CCn1c(=O)c(C(=O)N[C@H](C)CC)c(O)c2cc(OC)c(OC)cc21 100643322 JDBIJZWMLDAZKC-LLVKDONJSA-N 360.410 2.439 30 40 FEEB N#Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)cc1 102683952 KBSZIIDSUPTJLQ-GUDVDZBRSA-N 358.401 2.094 30 40 FEEB O=S(=O)(/N=C(\O)CSc1ccc2c(c1)OCCO2)c1cccnc1 48531847 RHSBIEVEUSAJDY-UHFFFAOYSA-N 366.420 2.290 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC 5516464 YIBWZEGRKSPOEF-SWHNUFMDSA-N 368.480 2.097 30 40 FEEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 69284120 HRHJOVOCULFITF-WFASDCNBSA-N 353.440 2.405 30 40 FEEB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1 96109097 FNYHTHRIKUIDDV-APWZRJJASA-N 354.410 2.086 30 40 FEEB N#Cc1cccc(CN2CC[C@@]3(CC(C(=O)NCc4ccco4)=NO3)C2)c1 96225847 KPVQDNVVJGEXBQ-HXUWFJFHSA-N 364.405 2.188 30 40 FEEB CCOC(=O)[C@H](/C=N/S(=O)(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1 17105846 SBMINKWPQIHDMZ-AMRJIULGSA-N 361.443 2.155 30 40 FEEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)C1CC1 101299177 BTWVNBYAMZDJAU-LTUGMUNRSA-N 370.883 2.351 30 40 FEEB Cc1cc(N2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)n2nc(C)cc2n1 2298074401 DRMDBGVUTDFWQF-IRXDYDNUSA-N 359.437 2.185 30 40 FEEB N#CCCNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 24778040 ZCVHHMGGCIQFEN-UHFFFAOYSA-N 369.406 2.007 30 40 FEEB O=C1COc2ccc(/C(O)=N/S(=O)(=O)c3ccccc3Cl)cc2N1 48577030 ZJIOWQBGVSVFII-UHFFFAOYSA-N 366.782 2.364 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 5016601 GJGUEZRFPIBUBQ-UHFFFAOYSA-N 372.446 2.119 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl 17028147 NCRDPORGBNIPPH-RGHHBTPQSA-N 372.899 2.347 30 40 FEEB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4032973 PGKIJCLVBDYRKO-YPUOHESYSA-N 352.316 2.033 30 40 FEEB CN1C(=O)C(=NNc2cc(Cl)c(Cl)cc2Cl)C(=O)N(C)C1=O 6861524 BVBNLGAJWOJZOI-UHFFFAOYSA-N 363.588 2.465 30 40 FEEB C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC3CCCCC3)cc2C1=O 3398142 ZUBHTYKBFUSBOB-UHFFFAOYSA-N 370.405 2.074 30 40 FEEB CCOc1ccc(N2/C(=N\C(=O)CC)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 32505324 GBDZUTUALMWVNB-QLXQBBHQSA-N 368.480 2.097 30 40 FEEB C#CCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc(Br)ccc21 2493123 RGNCCIVNSCVBAA-QGZVFWFLSA-N 374.190 2.483 30 40 FEEB C=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)[C@H]1CCS(=O)(=O)C1 58210694 SQNCWGCHLKPVHM-INIZCTEOSA-N 374.462 2.394 30 40 FEEB NC(=O)C(=N/Nc1ccccc1C(=O)O)/N=N/c1ccccc1C(=O)O 104226517 OHRQBJCZZMUBPL-ZSTRDAJGSA-N 355.310 2.078 30 40 FEEB CN(c1ccc(CC(=O)Nc2ccc(CC#N)cc2)cc1)S(C)(=O)=O 225975410 WHOCQQYGZUREMP-UHFFFAOYSA-N 357.435 2.330 30 40 FEEB CC(C)=NN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575423024 NKMFGLCTEZBFOR-HNNXBMFYSA-N 372.512 2.185 30 40 FEEB CC1(C)Cc2c(C#N)c(N)n(CCCN3CCOCC3)c(=S)c2CO1 20622186 ZKKZXOHTYLXGJN-UHFFFAOYSA-N 362.499 2.245 30 40 FEEB C=CCc1cc(C(=O)Nc2nc(CC(N)=O)cs2)cc(OC)c1OC 8981081 MFDCKYGYFIAWFH-UHFFFAOYSA-N 361.423 2.169 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 6936000 REKRCDSUWSPARX-ZDUSSCGKSA-N 357.797 2.292 30 40 FEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O 36848288 JDBXVRIMJYCWLW-LJQANCHMSA-N 351.337 2.347 30 40 FEEB O=c1cccc2n1C[C@H]1C[C@@H]2CN(/C(=N\O)c2cnc3ccccc3n2)C1 66087834 OGOADDPJQPPQPT-QXPDKEIPSA-N 361.405 2.047 30 40 FEEB N#CC1(C(=O)N2CCC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)CCCC1 1565552639 QWYLMSKWTUJIKF-DNVCBOLYSA-N 355.442 2.123 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccccc2)cc1 6786540 ZQIXYJNISDXMRW-KRWDZBQOSA-N 353.374 2.266 30 40 FEEB biogenic COc1cc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)ccc1OC(C)C 42302643 SOMACVMKBCMVCI-UHFFFAOYSA-N 374.418 2.473 30 40 FEEB COc1ccc([C@@H](CNc2ccc(C#N)cn2)N2CCOCC2)cc1OC 40049879 ZTZMOUHSZQTIFB-QGZVFWFLSA-N 368.437 2.456 30 40 FEEB CCOC(=O)Cc1csc(SCC(=O)N[C@](C)(C#N)C(C)C)n1 7507743 OPNHVPYFXCWBIZ-OAHLLOKOSA-N 355.485 2.395 30 40 FEEB CCOc1c(OC)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409404495 DGAATYOYTQLNGX-MGBSGCIJSA-N 370.405 2.244 30 40 FEEB CCN(CC)C(=O)CN1C(=O)/C(=N/OC(=O)c2ccco2)c2ccccc21 30836288 WCJGSSAOOWAFAS-LVZFUZTISA-N 369.377 2.056 30 40 FEEB CCN1C(=O)/C(=C\N(C)C)S/C1=N/S(=O)(=O)c1ccc(C)cc1 100888204 VVIARYHVBMTNHD-ZVRISXNUSA-N 353.469 2.038 30 40 FEEB O=C(O/N=C(\c1ccc([N+](=O)[O-])cc1)N1CCOCC1)c1ccccc1 1228496 KGCYWKKDAFEFMV-HTXNQAPBSA-N 355.350 2.446 30 40 FEEB C=CC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]1C[C@H]([C@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 101327204 LSVIWPNZJIGKRQ-MOQRVDRXSA-N 367.513 2.255 30 40 FEEB C#CCN1CCCC[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 58423722 AMDCDXRWTMEAHB-CQSZACIVSA-N 355.360 2.127 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O 4249270 HAUQYURASAWXLL-UHFFFAOYSA-N 357.458 2.016 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 5148374 DOBCAZWFPRDXNS-XJFZTKQQSA-N 352.481 2.397 30 40 FEEB COc1cccc([C@@]2(O)CC(C)=NN2C(=O)COc2ccc(C#N)cc2)c1 408563962 SVNGQTBSCGIMIQ-FQEVSTJZSA-N 365.389 2.399 30 40 FEEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(C#N)C=O)cc1 225640823 XRCVMIFHAINYGN-CEXWTWQISA-N 369.398 2.372 30 40 FEEB C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575425217 RHHXBRJXDJRHKD-CQSZACIVSA-N 363.888 2.094 30 40 FEEB CC1(C)OB(c2ccc(NS(=O)(=O)c3ccccc3)nc2)OC1(C)C 208201182 PLZNYEWXELNEIO-UHFFFAOYSA-N 360.244 2.182 30 40 FEEB Cc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1F 40132198 JPMSOLNSRJZMSY-UHFFFAOYSA-N 360.410 2.237 30 40 FEEB Cc1ccccc1NC(=O)C(=O)[C@@H]([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-] 1626677 ATJDQFODUOZFLO-HOCLYGCPSA-N 354.318 2.060 30 40 FEEB C=CCn1nnc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 10010786 HJSIKBLDEKCHMZ-UHFFFAOYSA-N 357.374 2.010 30 40 FEEB C#CCOc1c(Br)cc([C@H]2N[C@H](C(=O)O)CS2)cc1OC 408814682 HLXJBMMQOCTOTJ-GWCFXTLKSA-N 372.240 2.258 30 40 FEEB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 7560279 AFXMKMZBDSXFBJ-HXUWFJFHSA-N 363.373 2.340 30 40 FEEB N#Cc1ccccc1OS(=O)(=O)CCNC(=O)OCc1ccccc1 95452563 PXHIXHIBXPQTEF-UHFFFAOYSA-N 360.391 2.193 30 40 FEEB C=CCN1C(=O)N=C(O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C1=O 8994518 BLCWKTNERRHLLE-OKFGHLOFSA-N 355.398 2.102 30 40 FEEB COc1ccc([C@H]2c3cnn(C(C)C)c3NC(=O)[C@H]2[N+](=O)[O-])cc1OC 100254753 SQELQUHJHUVMQU-GJZGRUSLSA-N 360.370 2.211 30 40 FEEB CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)[C@H](C#N)C(=O)OCC 1758797 RKEGILHUIYDUHE-GJZGRUSLSA-N 361.394 2.215 30 40 FEEB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1 12555272 LJAILCHOXKLFJP-UHFFFAOYSA-N 371.462 2.216 30 40 FEEB COC(=O)CN1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O 409381146 DAFBXPOUKDLNRO-RIYZIHGNSA-N 355.375 2.374 30 40 FEEB CCOC(=O)/C(Cc1ccccc1)=N\Nc1nc(=O)[nH]c2ccccc12 12810378 CVICTEHWCNBFPC-JWGURIENSA-N 350.378 2.497 30 40 FEEB C#CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 17797785 MRKMFIBJFSWZGO-UHFFFAOYSA-N 373.390 2.067 30 40 FEEB COc1ccc(CNC(=O)NO[S@@](=O)c2ccc(OC)cc2)cc1 26952906 MKLUEDRZDYSNJZ-DEOSSOPVSA-N 350.396 2.157 30 40 FEEB Cc1cc(C#N)cnc1C(=O)N1CCC(c2nnc3n2CCCC3)CC1 551966335 UHOZEIIKOYVELZ-UHFFFAOYSA-N 350.426 2.209 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 32506197 OHIXNIFYWWSXSB-ZNHPGFMASA-N 352.481 2.334 30 40 FEEB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2cc(C#N)ccn2)cc1 583621051 SJLMJIDTZZHKTJ-AZUAARDMSA-N 351.406 2.474 30 40 FEEB COc1ccc(/C=N/n2nnnc2Nc2ccccc2)c(OC)c1OC 5393871 KDTPWQDNVSPXRA-WOJGMQOQSA-N 354.370 2.325 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 3518435 YQRHRBAOTIYORG-GFCCVEGCSA-N 369.421 2.461 30 40 FEEB Cc1cccc2c(=O)n(C/C(O)=N/c3nc(C(F)(F)F)n[nH]3)cnc12 26253436 NJMWOYIIQMOFRU-UHFFFAOYSA-N 352.276 2.130 30 40 FEEB Cc1cccc(C)c1N1/C(=N\C(=O)C2CC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 101309929 ZXBUIWMTCGXPMT-AUVQNDJMSA-N 364.492 2.315 30 40 FEEB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC1(C#N)CCCCC1 4916871 YVMWGGMWFHBYAU-UHFFFAOYSA-N 365.817 2.430 30 40 FEEB COc1ccccc1N=C[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408534670 MNKMSZGMKAZJLM-ABHRYQDASA-N 355.394 2.281 30 40 FEEB CC(=O)Nc1ccc(C#CC2(NC(=O)[C@H]3CCOC3)CCCCC2)cn1 12219573 XHRXUJKFELMIIQ-KRWDZBQOSA-N 355.438 2.247 30 40 FEEB COc1ccc(CC(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)cc1 17074523 HXSYMWUTXNQGCS-UHFFFAOYSA-N 362.393 2.341 30 40 FEEB CS(=O)(=O)NCCc1ccc(C(=O)OCc2ccccc2C#N)s1 17248648 YHENBQQLQQDQLR-UHFFFAOYSA-N 364.448 2.068 30 40 FEEB C=CCn1nnc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1 10010723 YZYSNKQSHYATNC-UHFFFAOYSA-N 361.402 2.308 30 40 FEEB C=CCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908027 ZQUIIWFXFPDZOZ-KRWDZBQOSA-N 369.490 2.266 30 40 FEEB CC1(C)Cc2c(sc(NC(=O)C(=O)NCc3ccncc3)c2C#N)CO1 6671723 HBLFBINTJFAXKT-UHFFFAOYSA-N 370.434 2.121 30 40 FEEB CN(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4738565 ZYPQWAPHCICWQB-BTZNOAQDSA-N 368.368 2.493 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)ccc1OC 409048997 VKSPXSQVUDDLCK-CWYJKRFISA-N 366.417 2.481 30 40 FEEB O=[N+]([O-])c1ccc(/C=N\NC(=S)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 34881020 REZHYZXMSTVEOF-CQRYCMKKSA-N 372.366 2.335 30 40 FEEB Cc1cc([C@H](O)CNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)c(C)o1 1565520295 LYZKNBRDINIPPJ-OAHLLOKOSA-N 361.785 2.210 30 40 FEEB Cc1c(/N=C/c2ccc(OCC(N)=O)cc2)c(=O)n(-c2ccccc2)n1C 16249094 WVJYPAKYZSWMDZ-WSDLNYQXSA-N 364.405 2.099 30 40 FEEB C#CCn1/c(=N/C(=O)c2ccccc2)sc2cc(S(C)(=O)=O)ccc21 100875458 PSWOVLIUJKGZFS-HNENSFHCSA-N 370.455 2.481 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 101312359 DOBCAZWFPRDXNS-QLXQBBHQSA-N 352.481 2.397 30 40 FEEB N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 44305029 XFBUHMORTVPJBM-UHFFFAOYSA-N 369.402 2.293 30 40 FEEB COc1ccccc1NC(=O)C[C@@H]1S/C(=N\Cc2ccco2)NC1=O 12995496 SLJGMLJMHXLWFY-AWEZNQCLSA-N 359.407 2.405 30 40 FEEB COC(=O)[C@](C)(c1ccccn1)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N 95462373 HXDSCIAIIGXVFX-VLIAUNLRSA-N 367.405 2.267 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 32507306 AAEUIHZGEPZYRU-HJUNTIBCSA-N 370.471 2.223 30 40 FEEB C[C@H]1CN(/C(O)=N/Cc2ncnn2C(C)(C)C)CCN1CC(F)(F)F 330393224 QGMQCTDCQBGIGH-NSHDSACASA-N 362.400 2.016 30 40 FEEB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N 9255190 IVZOVSYLQAVQGZ-JTQLQIEISA-N 355.306 2.356 30 40 FEEB CN1CCN([C@@H](CNC(=O)c2ccc(C#N)cc2)c2ccsc2)CC1 22765594 PMXKAJBFAOPBOG-SFHVURJKSA-N 354.479 2.338 30 40 FEEB Cc1cc(C)c(C#N)c(OCCN/C=C2/C(=O)Oc3ccccc3C2=O)n1 1547201056 SPDCSSODWFPVKJ-LFIBNONCSA-N 363.373 2.224 30 40 FEEB C=CCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 409049921 RJFVQYRIAOGUJY-UHFFFAOYSA-N 357.218 2.473 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CCN(C(=O)COc4ccccc4F)[C@@H]3C2)nc1 1040627000 PCXWTKKOQSAJCH-DOTOQJQBSA-N 366.396 2.208 30 40 FEEB COc1cc(/C=N/n2c(C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1 1303853 QVYULPNGILFDRJ-GIJQJNRQSA-N 354.322 2.210 30 40 FEEB COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc(Cl)c1O 103916987 DOAZLJJZTAJMSX-FSGGQQSPSA-N 372.808 2.441 30 40 FEEB CCCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccccc2C#N)C1 48331695 YNMAJFOHFRSEPM-GOEBONIOSA-N 363.483 2.264 30 40 FEEB CN(c1ccc(C(=O)NCCS)cc1)S(=O)(=O)c1ccccc1 408724865 BVBRZVKDZKMFNO-UHFFFAOYSA-N 350.465 2.171 30 40 FEEB C=CCN1C(=O)/C(=C/c2cc(Br)cs2)C(=O)NC1=S 4723759 ARWQAVMIJZRRQL-WEVVVXLNSA-N 357.254 2.323 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409129026 QJANWINPPQRBFX-GXDHUFHOSA-N 357.410 2.383 30 40 FEEB COc1cc(/C=N/n2cnnc2)ccc1OCC(=O)Nc1ccc(C)cc1 1153897 HPFWXLCXJCLVGW-LSHDLFTRSA-N 365.393 2.495 30 40 FEEB N#C[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)NC12CCCC2 14163143 LKWBUDLPKZIOIM-MRXNPFEDSA-N 371.872 2.400 30 40 FEEB C=CCc1cc(/C=C2\SC(=O)NC2=O)cc(OC)c1OCC(=O)OC 16195387 NPIPAKWLOMDZSX-JYRVWZFOSA-N 363.391 2.299 30 40 FEEB COC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1C#N 24477740 KYBZWODYOCJYJH-UHFFFAOYSA-N 358.419 2.312 30 40 FEEB CCOc1ccc(/C(O)=N/S(=O)(=O)c2ncn(C)c2Cl)cc1OC 58053365 QZDBVDUVUQGGBH-UHFFFAOYSA-N 373.818 2.174 30 40 FEEB COC(=O)[C@H](C)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 58264348 GSPTWXMEHZSEDY-QRWLVFNGSA-N 357.454 2.106 30 40 FEEB O=C(O)Cn1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409350182 UKNCNLTXRHZWLJ-UHFFFAOYSA-N 362.345 2.024 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 5370698 RIMPXQJTQJWWAX-FGQLKYCASA-N 352.481 2.315 30 40 FEEB N#CCCn1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)n1 84522136 VTBBMTOSLRAZFJ-QGZVFWFLSA-N 351.410 2.393 30 40 FEEB C=CCN1C(=O)/C(=C/c2cccc(Br)c2)C(=O)NC1=S 15013124 OLTFBRRYGHIHRO-DHZHZOJOSA-N 351.225 2.262 30 40 FEEB N#Cc1cc(Br)cnc1N[C@@H]1CCN(C2CCOCC2)C1 1889057293 LLPIDGSEVRRDJM-CYBMUJFWSA-N 351.248 2.381 30 40 FEEB N#Cc1c(F)cccc1NCc1cccnc1N1CCC(C(N)=O)CC1 78445572 DKKLREZHZPLIMW-UHFFFAOYSA-N 353.401 2.406 30 40 FEEB COc1ccc(C(=O)[C@@H]2C(C#N)(C#N)[C@]23CC[C@H]2CO[C@H]3O2)cc1OC 105689544 DGCMRHAWYXCCBH-UXDKQJBESA-N 354.362 2.072 30 40 FEEB biogenic Cc1sc2ncn(C[C@H](O)COc3ccc(C#N)cc3)c(=O)c2c1C 48252993 QUYZWASSDVOKGG-AWEZNQCLSA-N 355.419 2.386 30 40 FEEB N#Cc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 10780313 NIKWRKUNBKYVCO-UHFFFAOYSA-N 363.417 2.358 30 40 FEEB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C#N 3553743 OMKGSBCBKBNTNF-GFCCVEGCSA-N 372.402 2.146 30 40 FEEB COC(=O)COc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1 20195734 HVIVQJCUKQFWEA-RGVLZGJSSA-N 358.394 2.379 30 40 FEEB COc1ccccc1OCC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1 90607628 YPALGCOIJASESR-UHFFFAOYSA-N 367.405 2.411 30 40 FEEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@@H]1Cc2ccccc2C(=O)O1 5032218 MUBUHCKEZAWPFC-AMRJIULGSA-N 358.419 2.431 30 40 FEEB O=C1NC(=O)[C@@H]([N+](=O)[O-])[C@@H](/C=C/c2ccc(OCc3ccccc3)cc2)N1 6223260 LOCSSCIIUYAGTP-MXDRFRHJSA-N 367.361 2.132 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1ccncc1 5576920 KEVUIYWPXNACFT-HVESIFNPSA-N 369.396 2.204 30 40 FEEB O=C1C(=O)N(CCOCCO)[C@H](c2ccccc2)/C1=C(\O)c1cccs1 102883636 WZUVSBKSPHAPOA-IBOXJLQUSA-N 373.430 2.179 30 40 FEEB Cc1ccc(C)c(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101312952 UAMCMXCGELZXME-YTRIFDNDSA-N 364.492 2.315 30 40 FEEB N#CCC[C@H](C#N)Cn1c(C[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 25062898 UJIJPKHCHHSOFD-LSDHHAIUSA-N 356.451 2.457 30 40 FEEB N#Cc1ccc(CN2CC[C@@H]3OCCN(C(=O)c4ccco4)[C@H]3C2)cc1 108526380 SVDZAQLNHAFCBS-ROUUACIJSA-N 351.406 2.267 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309750 NRAWHIODSJYFAC-GBFGZXFBSA-N 370.540 2.318 30 40 FEEB Cc1cc(C)nc(N/C(=N\C(=O)c2ccccc2)NCCc2c[nH]cn2)n1 18223221 PRPMHNDBYWQYBP-UHFFFAOYSA-N 363.425 2.257 30 40 FEEB C[C@]12CN(/N=C/c3ccc4c(c3)OCCO4)[C@]3(C(N)=O)C[C@H]1CC[C@]23C 35982081 HYDLBECAYASHLH-YNOMPQMASA-N 355.438 2.158 30 40 FEEB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCC#N 33154997 DEXNOZWGIPFAJH-BOPFTXTBSA-N 363.398 2.368 30 40 FEEB N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 225859432 GGMFHSJAXBYGNU-UHFFFAOYSA-N 358.829 2.045 30 40 FEEB COc1cc(/C=N/N2C(=O)CSC2=S)cc(Br)c1O 3529685 CCGVPHHVIDJTAS-YIXHJXPBSA-N 361.242 2.358 30 40 FEEB CCN1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)CC1 20112157 PWZIDACZWRSZDD-OVDOOKCHSA-N 362.514 2.151 30 40 FEEB biogenic Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1 102695694 MZLRTHJPLRKSHT-GHNGSUTGSA-N 365.433 2.373 30 40 FEEB NC(=O)c1cccc(CO/N=C(/N)c2cc(Br)cs2)c1 48640034 QFMOBGACXXXGCZ-UHFFFAOYSA-N 354.229 2.447 30 40 FEEB O=C1NC(=S)NC(=O)C1=NNc1ccc(/N=N/c2ccccc2)cc1 18191471 CCKORLPCWKHSAP-FMQUCBEESA-N 352.379 2.401 30 40 FEEB COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCO 5124192 GWBZQBGXDBOTTD-QGZVFWFLSA-N 353.374 2.266 30 40 FEEB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC#N)C2=O)cc1 8930335 DFNDZYUNTSLRIK-UHFFFAOYSA-N 351.362 2.023 30 40 FEEB CS[C@H]1C(C(=O)C(C)(C)C)=C(CC(=O)O)C(=O)N1C[C@H]1CCCO1 62716414 OGWFFXWLMQTAQZ-HWPZZCPQSA-N 355.456 2.083 30 40 FEEB CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C#N)c1 7218889 RCRLCFCOFMYDBV-UHFFFAOYSA-N 363.826 2.471 30 40 FEEB Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 24045066 ALYFVQXYFWUPJA-UHFFFAOYSA-N 365.481 2.186 30 40 FEEB Cc1c(C#N)c(NC=C2C(=O)NC(=O)NC2=O)n(C2CCCCC2)c1C 6550758 MKZWRMZQFIBXLF-UHFFFAOYSA-N 355.398 2.144 30 40 FEEB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)S/C(=N/N=C/c2ccco2)N1 9329497 IOVLFZXNEIGECK-AGZSBTIMSA-N 360.370 2.369 30 40 FEEB Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 72278415 YUCLXQGMBCMLJV-UHFFFAOYSA-N 355.417 2.319 30 40 FEEB COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc(Cl)c1O 226662005 DOAZLJJZTAJMSX-HTIXVKOTSA-N 372.808 2.441 30 40 FEEB CC(C)CN1CCN(C)C(=O)C12CCN(Cc1cccc(C#N)c1)CC2 96230259 GKLPBPGXCPAWJF-UHFFFAOYSA-N 354.498 2.323 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)c3c(C)nc4ccccn34)C[C@H]2C)C1=O 1614929872 UHYDAWWCFBFDDJ-JLTOFOAXSA-N 352.438 2.139 30 40 FEEB COc1c(Br)cc(/C=N\NC(=N)N)cc1Br 33362275 ZFDPFRYTGROTGK-CPSFFCFKSA-N 350.014 2.037 30 40 FEEB Cc1cccc(CN2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 23254263 RRXTUCXYTRUTCN-NRFANRHFSA-N 365.477 2.424 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309630 UJADGYYPDMOHQB-WAQSKHHJSA-N 370.540 2.318 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 3351796 HBNCLEJUKJRXIS-UHFFFAOYSA-N 360.226 2.140 30 40 FEEB CO/N=C\NC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1 5209518 VCECKFHWFRFGNV-UHFFFAOYSA-N 364.361 2.344 30 40 FEEB CN(C)S(=O)(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 5689871 DAYHWAXXZAKWRX-UHFFFAOYSA-N 350.440 2.191 30 40 FEEB CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)/C(=N\OC)c1ccco1 96035238 NFZUUBAPIMQBGD-JZJYNLBNSA-N 362.357 2.361 30 40 FEEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408800220 NWMGIGVSSYODQO-FOWTUZBSSA-N 362.341 2.071 30 40 FEEB CC(C)C[C@@H](NC(=O)OC(C)(C)C)/C(N)=N/OCC(=O)NC1CCCC1 40158265 AUOAEAQNUNJONS-CQSZACIVSA-N 370.494 2.273 30 40 FEEB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 225504595 JIZUOYSFNTYNDG-INIZCTEOSA-N 351.410 2.098 30 40 FEEB N#Cc1cnn2c(O)cc(CN3CCOC[C@H]3c3ccc(F)cc3)nc12 1194400490 ILJRKQRMIXDKQF-INIZCTEOSA-N 353.357 2.019 30 40 FEEB CSc1nc(SCC(=O)c2ccc3c(c2)OCO3)nc(N)c1C#N 5798531 IXQHFGLVIJJQSE-UHFFFAOYSA-N 360.420 2.356 30 40 FEEB N#Cc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1 52486138 LCLAVXBDLPPTDF-UHFFFAOYSA-N 356.813 2.334 30 40 FEEB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CC(=O)NC1(C#N)CCCC1 57995995 YNLRYVMPBQVGJV-HNNXBMFYSA-N 364.490 2.318 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(C)c2)n(C)c1=O 4249164 FLTPVZUDBVGMIN-UHFFFAOYSA-N 365.437 2.241 30 40 FEEB O=C(O)C[C@@H]1S/C(=N/N=C2c3ccccc3-c3ccccc32)NC1=O 6229477 MCASIHBQXAUEIZ-AWEZNQCLSA-N 351.387 2.482 30 40 FEEB COc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2OC)C1=O 408537735 WVKYXTIPOZRMHT-LBPRGKRZSA-N 367.361 2.305 30 40 FEEB COc1ccccc1N1CCN(C(=O)CSc2ncccc2C#N)CC1 7052386 SUOFDNQPSBFBDA-UHFFFAOYSA-N 368.462 2.403 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1OC 101306830 YIBWZEGRKSPOEF-VNVZGKBTSA-N 368.480 2.097 30 40 FEEB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)Cc1ccccc1C#N 24990162 IKRZDOUYUYNHGW-RHSMWYFYSA-N 363.483 2.015 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@@H]2c2ccc(F)cc2)cc1 102861274 FWSOAEWQYIBRJB-GROYHEBESA-N 371.364 2.248 30 40 FEEB C=CCn1c(COc2ccccc2F)nnc1SCC(=O)NCC 3370367 LXJOTDCJTGJOEV-UHFFFAOYSA-N 350.419 2.410 30 40 FEEB N#Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 5852010 KVRZUWGHENXDOQ-UHFFFAOYSA-N 373.296 2.166 30 40 FEEB C=CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 409069943 BRNABDAVZHATLD-BJMVGYQFSA-N 351.296 2.431 30 40 FEEB NC(=O)NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 33355052 FMTMUAQGOCRPLX-VKHMYHEASA-N 372.090 2.216 30 40 FEEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cs1 5040271 WZTBYMHMOGFIFL-JTQLQIEISA-N 374.422 2.024 30 40 FEEB Cc1nc(C(=O)N2C[C@H]3OC[C@@H](COc4ccc(C#N)cc4)[C@H]3C2)cs1 1565550594 DCRPPEQTADSPCE-QGPMSJSTSA-N 369.446 2.489 30 40 FEEB COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 9319578 OMGIORDOSIECQL-UHFFFAOYSA-N 373.796 2.416 30 40 FEEB Cc1nn(C/C(O)=N/c2ncn(Cc3ccccc3)n2)c(C)c1[N+](=O)[O-] 54114149 FUHZGJALHZLVTR-UHFFFAOYSA-N 355.358 2.336 30 40 FEEB CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCN)cc1 22145323 KCLDTLMPTVFCPQ-SFHVURJKSA-N 365.433 2.290 30 40 FEEB C/C=C/c1ccc(OC[C@H](O)Cn2nc(C)c(C)c(C#N)c2=O)c(OC)c1 28915688 DWUHQMWGMKUPRP-SQRWCISFSA-N 369.421 2.213 30 40 FEEB CCOC(=O)NCC/C(O)=N/S(=O)(=O)c1cccc2cc(C)cnc12 48565815 ZGPYLWDNXZCCOK-UHFFFAOYSA-N 365.411 2.325 30 40 FEEB CCOC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1 5001086 FMLLJFLPIUSIIW-UHFFFAOYSA-N 353.378 2.152 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 5573061 WLPBEPHDACUUEX-XJFZTKQQSA-N 352.481 2.084 30 40 FEEB C=CCn1c(N)cc(=O)nc1S[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 4813593 JDWHWBHNKKBZNX-LBPRGKRZSA-N 372.450 2.333 30 40 FEEB C#CCN(CC#C)CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 72305363 JXXDYMMLRPFERF-ZDUSSCGKSA-N 358.463 2.166 30 40 FEEB COC(=O)c1ccc2c(c1)CN(C(=O)COc1ccccc1C#N)CC2 95457776 PWCHVXHOINRJSC-UHFFFAOYSA-N 350.374 2.309 30 40 FEEB C#CCCC1(CCC(=O)N2CCCN(c3cc(C(=O)O)ccn3)CC2)N=N1 1616030549 CRSUKTKDPGTIJB-UHFFFAOYSA-N 369.425 2.174 30 40 FEEB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 15363127 ZLFINABPKAQPRU-UHFFFAOYSA-N 371.462 2.073 30 40 FEEB N#Cc1ccc(CN2CCCN(CN3C(=O)C(=O)c4ccccc43)CC2)cc1 23248847 SQJCCMIILVDPMS-UHFFFAOYSA-N 374.444 2.253 30 40 FEEB N#Cc1cccc(S(=O)(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 10668937 KMRKDXWCLOHEMD-UHFFFAOYSA-N 355.419 2.385 30 40 FEEB C#CCNC(=O)CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 13012306 KEROVLQDXYRLKX-UHFFFAOYSA-N 373.825 2.016 30 40 FEEB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3(C#N)CCCCC3)C2=O)cc1 5167868 CPCZLRHYIPLHKA-IBGZPJMESA-N 368.437 2.105 30 40 FEEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)cc1OC 44859685 WEUQVQARJCRRLS-INIZCTEOSA-N 356.382 2.313 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1 225488268 QIDBGARJGUFGON-YJBOKZPZSA-N 364.405 2.032 30 40 FEEB Cc1ccccc1N1/C(=N\C(=O)C2CC2)S[C@H]2CS(=O)(=O)C[C@H]21 101312051 DKSNNDLCPNKXGU-OVZRNVPMSA-N 350.465 2.006 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 101305543 AKJQTXLBCBVYOV-BKJYESAMSA-N 352.481 2.397 30 40 FEEB C[C@H]1CN(CC2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 58227386 KXKVYXKHFKIGQI-IRXDYDNUSA-N 370.497 2.318 30 40 FEEB Cc1cccc(OCCNC(=O)CO/N=C(\N)c2cccc(Cl)c2)c1 39992615 ZYRTYQKCHAURQX-UHFFFAOYSA-N 361.829 2.481 30 40 FEEB C[C@@H]1CCCC[C@H]1N1CNC(=NS(=O)(=O)c2ccc(Cl)cc2)NC1 30874835 YJWQTESXSNWZJV-IUODEOHRSA-N 370.906 2.373 30 40 FEEB COc1ccc(CCN/C(N)=N\S(=O)(=O)c2ccc(C)c(C)c2)cc1 13116720 QGMLXIZMSNBTJG-UHFFFAOYSA-N 361.467 2.148 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 100937584 MZQOWKNYSMRNTM-XUMKSBJFSA-N 362.835 2.100 30 40 FEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12613019 VMCIANRABCSTDK-HNNXBMFYSA-N 365.437 2.111 30 40 FEEB CC(C)n1c(N/N=C\c2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 59365069 SQWNVVHTJCSZKF-OCKHKDLRSA-N 374.832 2.114 30 40 FEEB CCCCn1c(N/N=C/c2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 5149432 NTJWKIQULIRWIN-VXLYETTFSA-N 374.832 2.323 30 40 FEEB OC1=c2ccccc2=N[C@@H](c2ccc(O)cc2)N1/N=C/c1ccc(O)cc1 8913957 ISDGKYFXMIJLNK-CCULFSDZSA-N 359.385 2.390 30 40 FEEB N#CCc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 225078169 VKYFONJFLSHNON-UHFFFAOYSA-N 369.402 2.207 30 40 FEEB O=S(=O)(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccnc1 90610483 GDTZWIVANFJJSY-UHFFFAOYSA-N 370.352 2.461 30 40 FEEB C/C(=N\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C 4964439 QSEGVTDFOQPCDJ-FOWTUZBSSA-N 370.431 2.060 30 40 FEEB CC(C)C1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(C(F)(F)F)C1 814227 YCEQSIBKLGUPSM-HNNXBMFYSA-N 355.316 2.432 30 40 FEEB N#Cc1c(-c2ccc(OCc3ccccc3)cc2)c(C#N)c(=O)n(N)c1N 3212699 RFFRWVBYOXVPNY-UHFFFAOYSA-N 357.373 2.134 30 40 FEEB N#Cc1cccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 3341654 AHOMYKQFDJIFCQ-UHFFFAOYSA-N 367.380 2.203 30 40 FEEB C=CCN(CC=C)C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 9051958 FCAJJSVRZSSYKB-HXUWFJFHSA-N 367.405 2.400 30 40 FEEB C[C@](C#N)(NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1 7018815 ICTRXFNTLTUTGI-OXQOHEQNSA-N 355.438 2.403 30 40 FEEB COc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c(OC)c1 7995061 ZZDASYFAVHQINN-UHFFFAOYSA-N 364.405 2.307 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 32507307 AAEUIHZGEPZYRU-QJGXAYKQSA-N 370.471 2.223 30 40 FEEB O=C1C=CC=C/C1=C1\N/C(=C2/C=CC=CC2=O)NN1c1ccc(C(=O)O)cc1 100504305 FMSOAWSKCWYLBB-IBPVTIBFSA-N 373.368 2.112 30 40 FEEB in-vitro CC(C)n1c(N/N=C\c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 59367301 BBBHPXJKMWGXSO-OCKHKDLRSA-N 374.832 2.114 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cc(C)cc1C 5377531 YFRAQGXFVZPMHZ-QPRSIOOTSA-N 352.481 2.233 30 40 FEEB N#Cc1c(CCCNC(=O)Cc2c(Cl)cccc2Cl)n[nH]c1N 7725353 XIGDMLUSXSCHLM-UHFFFAOYSA-N 352.225 2.462 30 40 FEEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCN1CCNCC1 23469724 YMMMVFREMNTZTI-UHFFFAOYSA-N 363.461 2.391 30 40 FEEB COCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 36656467 BCVFRBNGCPBMMD-AWEZNQCLSA-N 358.394 2.156 30 40 FEEB CCN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@H]5[C@H]23)CC1 217499366 OURZJOAJOVHDAD-WQUGUCIPSA-N 362.514 2.149 30 40 FEEB COc1ccccc1N1C[C@@H](/C(O)=N/c2nc([C@@H]3CCCO3)n[nH]2)CC1=O 95475695 VDBZGUMRDQJGPD-FZMZJTMJSA-N 371.397 2.306 30 40 FEEB CC1(C)OB([C@@H]2CCN(C(=O)Cc3ccccc3C(N)=O)C2)OC1(C)C 1776007774 WTFSKIUBRCJNOM-CQSZACIVSA-N 358.247 2.023 30 40 FEEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1CCCO1)C2 585107491 XPMWICVPXWRFQB-DYESRHJHSA-N 364.449 2.485 30 40 FEEB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CCC#N)CC2)c(C)c1 60657662 PBUWTAYLNIBMCR-UHFFFAOYSA-N 363.483 2.076 30 40 FEEB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@@H](C)O1 58209356 GEBAHYTVBFVZJW-NUJGCVRESA-N 357.454 2.037 30 40 FEEB C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(NS(C)(=O)=O)c1 60167124 HTMZPJVUEPZVMY-UHFFFAOYSA-N 360.410 2.473 30 40 FEEB CCCCCCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 48520861 AOYNZVLZULGWHN-CYBMUJFWSA-N 360.462 2.161 30 40 FEEB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c1C 12918427 IGPBGVIWXXKWBG-GFCCVEGCSA-N 369.377 2.474 30 40 FEEB C=CCN1C(=O)N/C(=C/c2ccc(O)c(I)c2)C1=O 4690005 IRAATEZKMLDOCS-JXMROGBWSA-N 370.146 2.076 30 40 FEEB C#CCNC(=O)[C@H](C)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 56154396 ILSIRJWXMIKXNY-HNNXBMFYSA-N 371.462 2.346 30 40 FEEB C=CCn1c2ccccc2c2nnc(SCC(=O)N3CCOCC3)nc21 2503651 VZAIZXMHULLURK-UHFFFAOYSA-N 369.450 2.116 30 40 FEEB CC(C)Cc1nc(C#N)c(N2CCC(C(=O)Nc3c[nH]ccc3=O)CC2)o1 32074674 ITVVWMHVPMSWBT-UHFFFAOYSA-N 369.425 2.288 30 40 FEEB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCC#Cc2ccccc2)no1 32899011 JVTZYPAEXGDTQW-AWEZNQCLSA-N 357.435 2.211 30 40 FEEB COc1cccc([C@H](CNS(=O)(=O)c2cccc(C#N)c2)N(C)C)c1 10091257 SDTJMJUGFPTTPO-SFHVURJKSA-N 359.451 2.148 30 40 FEEB Cc1ccc(/C(N)=N/OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 12655321 JZIOTTGXJSEBGV-UHFFFAOYSA-N 365.389 2.235 30 40 FEEB COc1ccc(/C=C2\Oc3cc(OCC(N)=O)cc(C)c3C2=O)cc1OC 8764954 LPSWNXUYQQPFPX-IUXPMGMMSA-N 369.373 2.493 30 40 FEEB biogenic C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cs1 5040272 WZTBYMHMOGFIFL-SNVBAGLBSA-N 374.422 2.024 30 40 FEEB COc1ccc(/C=C\[C@H]2C(C#N)(C#N)C(OC)(OC)C2(OC)OC)cc1 4568236 IRCJBAHQWUFZST-CLOOOTJHSA-N 358.394 2.350 30 40 FEEB C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)cc(C(=O)O)c1 583496043 WXTUBJFHGLIPAG-ZANVPECISA-N 354.200 2.468 30 40 FEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1565556230 ZKQGLLZGPJFUJX-RXVVDRJESA-N 369.465 2.040 30 40 FEEB C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1cc(OC)c(OC)c(OC)c1 8299995 HJGBHJFYVKDIFH-OFQRWUPVSA-N 360.454 2.339 30 40 FEEB biogenic,in-vitro C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 2805150 CNQBJYDTQOXJKL-GFCCVEGCSA-N 365.353 2.123 30 40 FEEB N#CCCN(C(=O)CSc1ncccn1)c1ccc2c(c1)OCCO2 3558784 IVJQQOBFMSAAHR-UHFFFAOYSA-N 356.407 2.287 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)n([C@H](C)CC)n2)cc1 95463238 WSWFMQGHRRSYLC-CYBMUJFWSA-N 374.466 2.326 30 40 FEEB COc1ccc(C(=O)NCC#CCN2CCc3ccccc3C2)cc1OC 75164999 PEDXYEIZFXUDGL-UHFFFAOYSA-N 364.445 2.495 30 40 FEEB CN(CCN1CCOCC1)C(=O)/C=C/c1cn(CCC#N)c2ccccc12 95469683 KTNZLCZBBBWRIB-BQYQJAHWSA-N 366.465 2.359 30 40 FEEB COc1ccc(CCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 30936231 NTDARNPSKUCMKG-UHFFFAOYSA-N 350.422 2.243 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 6295790 NSDDZZBUEQQGPS-UHFFFAOYSA-N 361.379 2.311 30 40 FEEB N#Cc1c(NC(=O)COC(=O)c2cc[n+]([O-])cc2)sc2c1CCCCC2 47077335 HSMALKMJYQVBMY-UHFFFAOYSA-N 371.418 2.318 30 40 FEEB COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 7267075 MVLZRXXVPWENHE-CQSZACIVSA-N 366.421 2.464 30 40 FEEB Cc1ccc(C(=O)NC/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)s1 48599913 NZNFOGYJWXRQRG-UHFFFAOYSA-N 363.420 2.003 30 40 FEEB Cc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)cc1 4812732 AHRYJXFSBXDVCA-RGVLZGJSSA-N 368.441 2.224 30 40 FEEB C[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 24163266 LOBOLXUQVQOMPB-NSHDSACASA-N 374.374 2.285 30 40 FEEB COc1ccc(C)cc1S(=O)(=O)/N=C(\c1ccccc1)N1CCOCC1 226753880 GSCVVJAWWSGPFG-FMQUCBEESA-N 374.462 2.471 30 40 FEEB CC(C)c1n[nH]c(/N=C(\O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)n1 95472927 UBMLTYREZHSLPS-JTQLQIEISA-N 353.386 2.446 30 40 FEEB C=CCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 14951878 KLOLOZPZSSQVFE-ZROIWOOFSA-N 362.407 2.042 30 40 FEEB COc1cc(/C=N\N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)ccc1O 17024219 DJKHQFIMQMHISN-JJBLJPBOSA-N 360.435 2.428 30 40 FEEB C#CCn1/c(=N/C(=O)c2ccn(CC)n2)sc2cc3c(cc21)OCCO3 101130683 QVILJDWZYKAVHQ-HNENSFHCSA-N 368.418 2.065 30 40 FEEB C=CCn1c(SCC(=O)O)nnc1[C@H](C)NC(=O)c1ccccc1F 72328148 KUFYSCNRZKFYOX-JTQLQIEISA-N 364.402 2.271 30 40 FEEB C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)OCC)nnc12 58217947 ITTDJTZCSKVRQX-NSHDSACASA-N 358.423 2.274 30 40 FEEB COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3cccc(OC)c3O)C2=O)cc1 3579647 MIDDBDIXMBSANB-YBCYLVPRSA-N 369.377 2.211 30 40 FEEB C#CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 14093165 KWDSECHANUJLKH-OAHLLOKOSA-N 350.418 2.450 30 40 FEEB N#Cc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 4682240 DYDYZMKWKUFDLJ-CXUHLZMHSA-N 364.336 2.229 30 40 FEEB N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2cccs2)CC1 7147478 KRGAWWAPVLLMLW-UHFFFAOYSA-N 351.428 2.270 30 40 FEEB CCN1CCN(c2nn(-c3cccc(C(F)(F)F)c3)nc2C#N)CC1 256048029 QFNROLDNKJQJRE-UHFFFAOYSA-N 350.348 2.300 30 40 FEEB C=CCNC(=O)Cn1nnc(-c2ccc(CN3CCCC[C@H]3C)cc2)n1 35290071 GAVMPCNDYSBKNS-OAHLLOKOSA-N 354.458 2.017 30 40 FEEB Cc1nc(N2CCO[C@H](C(=O)N3CCCCC3)C2)c(C#N)c(C)c1Cl 1889108865 WNLGCROMOVFBQV-HNNXBMFYSA-N 362.861 2.441 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2cc(C)n(C(C)C)c2C)c1 40050576 FAHLKVXFKFTROX-UHFFFAOYSA-N 355.394 2.389 30 40 FEEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OCC)CC(=O)N2 4944317 XCUHGDKAKMPRBG-GFCCVEGCSA-N 355.419 2.368 30 40 FEEB C#CCCN1CCN(C(=O)c2ccc(OC)c(Br)c2)CC1 58268465 DKSLYVGYEVTVBM-UHFFFAOYSA-N 351.244 2.239 30 40 FEEB CCOc1ccc(/C=N/Nc2c([N+](=O)[O-])nn(C)c(=O)c2Cl)cc1 6551187 GQUAZTPABUTJBY-LZYBPNLTSA-N 351.750 2.187 30 40 FEEB Cc1nn(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(=O)c(C#N)c1C 7385314 QUQFPHWKVIOCOV-OAHLLOKOSA-N 364.449 2.488 30 40 FEEB Cc1cccc(C)c1NC(=O)CN1CCN(C[C@@H](C#N)CCC#N)CC1 24590515 NJIFIISOGGMGLH-GOSISDBHSA-N 353.470 2.303 30 40 FEEB Cc1cnc([C@@H](C)/N=C(/O)N2CCC(C)(CN3CCN(C)CC3)CC2)o1 329841729 NOJOSTBPSPGKJX-MRXNPFEDSA-N 363.506 2.308 30 40 FEEB C=CCN1C(=O)CC[C@@]12CCCN(S(=O)(=O)c1cccs1)CC2 96071942 NPYYHIACEQSFFO-MRXNPFEDSA-N 354.497 2.470 30 40 FEEB CC(C)=NOC1(ON=C(C)C)N=C(N)[C@@]2(C#N)[C@@H](C(=O)C(C)(C)C)[C@@]12C#N 35323547 XIHJFXWXSRVLBY-CSMYWGQOSA-N 372.429 2.101 30 40 FEEB Cc1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1COC(C)(C)C2 12325068 MYSKXRFWVCXRBS-UHFFFAOYSA-N 355.394 2.401 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1C(=O)NCC(F)(F)F 11701720 VVZATDBFPXTWOX-MRXNPFEDSA-N 370.375 2.445 30 40 FEEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 14022503 JFTGQMIVOOOYMA-UHFFFAOYSA-N 360.435 2.171 30 40 FEEB COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCO)c1 16742398 CFWLDIKGMZVTGL-HNNXBMFYSA-N 359.403 2.327 30 40 FEEB C/C(=N\N=C\c1c(F)cccc1Cl)c1nnn(-c2nonc2N)c1C 705535 RTLKBVKZFZGBRW-JRGWAENISA-N 362.756 2.177 30 40 FEEB NCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 22079083 OFIMDJSHJPTAGE-INIZCTEOSA-N 367.361 2.132 30 40 FEEB C=CCSc1nnc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)s1 23078486 KWIRWAYVYATHBY-AMIZOPFISA-N 356.498 2.209 30 40 FEEB CCOC(=O)[C@H](C(C)=O)C1=CC(=O)C(=O)c2ccc(Br)cc21 2075112 MJWNYPOJLBSNEM-CQSZACIVSA-N 365.179 2.366 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 5341940 CEACFUDOXMKWEQ-TWWIOWFMSA-N 356.444 2.227 30 40 FEEB C#CCN(C(=O)NCC(=O)N(C)CCc1ccccn1)C1CCCCC1 67469040 FSLMRHSOZVJOBT-UHFFFAOYSA-N 356.470 2.060 30 40 FEEB C=CCN(c1ccc(C(=O)NCCOc2ccccc2)cc1)S(C)(=O)=O 223923142 SWWCQODXJDHSIF-UHFFFAOYSA-N 374.462 2.447 30 40 FEEB CCCn1c(=C(C#N)C#N)s/c(=C2\C=Cc3ccccc3N2CC)c1=O 100181069 GGPGSIWZJAHUDJ-ISLYRVAYSA-N 362.458 2.179 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(Br)o1 100237614 KWYWMVFAEKHVOI-BNSIJRKFSA-N 361.195 2.429 30 40 FEEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccc(O)c1 102527874 ADXQDQLCNQCDPN-UYTDBDHRSA-N 357.362 2.443 30 40 FEEB CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2284759 RQOJLNABKBGWTH-OAHLLOKOSA-N 367.453 2.380 30 40 FEEB COC(=O)Cn1ncc([C@H](C#N)c2nc3ccccc3s2)c(Cl)c1=O 5447507 ARNOPVZJYLSHDW-VIFPVBQESA-N 374.809 2.335 30 40 FEEB C[C@H](NC(=O)COc1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 40090110 WDANYQJAZHETSJ-ZDUSSCGKSA-N 373.434 2.186 30 40 FEEB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCC(N)=O 7008861 JFJLYTQSUCVLCW-QPJQQBGISA-N 368.315 2.419 30 40 FEEB COC(=O)c1ccc(OC(C)C)c(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 58216970 MTMNQGPVPYPSAN-IBGZPJMESA-N 359.426 2.481 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1ccco1 5576915 OWKPLIOSYLPVBE-UYTDBDHRSA-N 358.369 2.402 30 40 FEEB N/C(=N\C[C@@H]1CCCO1)SCc1nc2sc3c(c2c(=O)[nH]1)CCC3 7286348 CMLSNRPIIBGIMF-VIFPVBQESA-N 364.496 2.200 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32504622 JIOBYJAFRVSKGL-INGRWJPNSA-N 370.471 2.473 30 40 FEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccnc(F)c4)C3)CC2=O)cc1 585101625 YHOQXBHFRLBKEF-HXUWFJFHSA-N 364.380 2.362 30 40 FEEB O=C(/C=C1/Nc2ccc([N+](=O)[O-])cc2N[C@@H]1O)c1cccc([N+](=O)[O-])c1 18202648 KMUNZQOCLSFPQQ-FCONWMNKSA-N 356.294 2.426 30 40 FEEB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(C#N)cc3)o2)c1 4585659 PBYGCFNJINOILQ-UHFFFAOYSA-N 368.374 2.264 30 40 FEEB C=CCn1c(=O)c2c(nc3n([C@@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233474 FKZLLRZRUUUBJK-AWEZNQCLSA-N 363.421 2.253 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1O 105182489 HIGSFETWXVOBRR-LPBWMFHDSA-N 352.390 2.322 30 40 FEEB Cc1c(C#N)c(NC(=O)Cn2cnc(C#N)n2)n(-c2ccc(F)cc2)c1C 12528182 SNYKIDLBLBFITD-UHFFFAOYSA-N 363.356 2.207 30 40 FEEB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 58209131 BLAJEXYCSQROGX-KRWDZBQOSA-N 354.391 2.025 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)C(=O)NC1=S 408902195 LQUBQIQVQRIWNQ-NTCAYCPXSA-N 355.463 2.408 30 40 FEEB N#Cc1ccsc1NC(=O)CN1CCN(CCOc2ccccc2)CC1 96833076 NOQUSCBFPILRTH-UHFFFAOYSA-N 370.478 2.255 30 40 FEEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccncc1)c1ccc(Cl)cc1 8914375 DPBVCIIVHJKKMS-HNNXBMFYSA-N 358.781 2.306 30 40 FEEB Cc1noc([C@H](C)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 27106990 JWKGZOBBLKDAAW-NSHDSACASA-N 354.370 2.381 30 40 FEEB CCOc1cc(/C=N\NC(=S)Nc2ccccc2)ccc1OCC(N)=O 409213560 PSATZSQBPCTKGT-JAIQZWGSSA-N 372.450 2.270 30 40 FEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccn2)CC1 33237492 BBCGHOZLWUVPNH-MRXNPFEDSA-N 350.422 2.065 30 40 FEEB C=CCN1C[C@H]2CN(C(=O)c3csnn3)CC[C@]2(c2ccccc2)C1 96083270 XDLIRAXVOWNIIO-QFBILLFUSA-N 354.479 2.440 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245228722 DBMHIDLKZJEAQN-XFPAHSSASA-N 370.540 2.318 30 40 FEEB NC(=S)N/N=C1/C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 100756209 BNISHXQYGLEXGX-HMMYKYKNSA-N 374.853 2.303 30 40 FEEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21 2493040 NNSXZXXAVUMRRN-FQEVSTJZSA-N 351.358 2.409 30 40 FEEB CN(Cc1nc2ccccc2s1)C(=O)CSc1ncc(C#N)c(N)n1 7695646 CDZYQTFUDYFPDB-UHFFFAOYSA-N 370.463 2.291 30 40 FEEB COc1ccccc1C/N=C\[C@@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408529706 CYASTBPTQSUFQK-YQODDJSKSA-N 365.389 2.474 30 40 FEEB N#Cc1cccnc1N1CCN(C(=O)CCC(=O)c2cccs2)CC1 24574516 XJOHELUDIBRUQV-UHFFFAOYSA-N 354.435 2.326 30 40 FEEB N#C[C@]1(C=O)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252516161 QJYYDIWGRMIQGV-KURKYZTESA-N 355.371 2.064 30 40 FEEB C=CCn1ncc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c1C 12122561 KXOWVXHKUSYZLQ-UHFFFAOYSA-N 362.437 2.493 30 40 FEEB C=CC[C@]1(Cl)C(=O)C(Cl)=C(NCCCC(=O)OC)C1(OC)OC 100747326 CUXOALBLUZGGKR-AWEZNQCLSA-N 366.241 2.105 30 40 FEEB biogenic C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 58201767 OXOKUCOEXLEPIX-GOSISDBHSA-N 363.333 2.168 30 40 FEEB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 58215399 ALEMTQXHWQVQHS-JXFKEZNVSA-N 368.437 2.116 30 40 FEEB O=C(/C=C/c1ccccc1)c1c(O)[nH]c(=O)n(CCc2ccccc2)c1=O 13120479 NFFLWDBVPXOLBO-VAWYXSNFSA-N 362.385 2.381 30 40 FEEB N/C(=N\OCC(=O)N1CCCCCC1)c1ccnc(N2CCCCC2)c1 68270714 UIZGUSGXEUSJDX-UHFFFAOYSA-N 359.474 2.111 30 40 FEEB COc1cccc([C@@]2(O)CC(C)=NN2C(=O)COc2ccccc2C#N)c1 408562979 HFVPQHZHABAZCO-FQEVSTJZSA-N 365.389 2.399 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)c3ccno3)C[C@H]2c2ccccc2)C1=O 96201896 OTEUBDOXAILLJV-OXJNMPFZSA-N 351.406 2.319 30 40 FEEB COCCOc1ccc(C#N)cc1NC(=O)N1CCC(C)(C(=O)O)CC1 592465981 MPZJRHFETBSTRP-UHFFFAOYSA-N 361.398 2.302 30 40 FEEB N#CCOc1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 25454899 VGSKNVBOUZFFJC-UHFFFAOYSA-N 370.409 2.172 30 40 FEEB C=C(C)C[C@H]1N(CCc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4044179 PQWSQJPHBKAWTP-DKLJTFSYSA-N 353.418 2.431 30 40 FEEB biogenic COc1cc(/C=C/C(=O)OCC(=O)NCc2ccco2)ccc1OCC#N 6078782 LYSIWHIEYOSXKN-FNORWQNLSA-N 370.361 2.063 30 40 FEEB CN(C)/C=N/c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 8405981 DXOXPPXWEQHZRV-RIYZIHGNSA-N 366.428 2.399 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(OC)c3)C2=O)cc1 408535907 OZMUVYFCMUWOFD-MRXNPFEDSA-N 367.361 2.305 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)CCSc1ccc(Cl)cc1 32910244 ABVGNYIUXWJHJW-UHFFFAOYSA-N 356.831 2.377 30 40 FEEB COc1ccc(/C=C/C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 225488488 GXRVCMRUYGQMQE-RCMYXZNBSA-N 364.405 2.440 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1CC=C 3517977 KCSWYECBOYLAJK-UHFFFAOYSA-N 357.439 2.235 30 40 FEEB N#Cc1cccc(OCCSc2nnc(N3CCOCC3)n2C2CC2)c1 53681077 DTIREHMJKRFNKR-UHFFFAOYSA-N 371.466 2.492 30 40 FEEB N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(F)cc1Cl 47280540 RSABQTZYPUCKSU-UHFFFAOYSA-N 354.794 2.136 30 40 FEEB C=CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 9385308 SATJXDSWXJFZIN-UHFFFAOYSA-N 374.462 2.188 30 40 FEEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCOC(C)C 217510952 WTBDNSXZDZWVPI-UHFFFAOYSA-N 356.444 2.076 30 40 FEEB C=CCSc1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 223275807 NWVXHPDJIIVCEK-UHFFFAOYSA-N 371.465 2.388 30 40 FEEB CCC[S@](=O)CCCN(CC)C[C@@H](O)COc1ccc(C#N)cc1 8469357 ZMHOBBKJBYLXFR-MZNJEOGPSA-N 352.500 2.169 30 40 FEEB in-man COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC#N 4457864 DEXNOZWGIPFAJH-GZTJUZNOSA-N 363.398 2.368 30 40 FEEB COCCCNC(=O)CN(C)c1cc(C)c(C#N)c2nc3ccccc3n12 12604011 BUDHSUZDMPPISQ-UHFFFAOYSA-N 365.437 2.257 30 40 FEEB COc1ccccc1/N=C1\NN=C(c2ccc(O)c(C(N)=O)c2)CS1 12643503 OIZZGBFCKGCZHI-UHFFFAOYSA-N 356.407 2.228 30 40 FEEB COc1cc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1OC 4716059 BSBMLMVXTOUWRD-QGZVFWFLSA-N 356.382 2.326 30 40 FEEB C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/CO)C/C(C)=C/CC[C@@]1(C)O[C@@H]21 197633969 CQZUJMJORLOTCJ-QSQXIOFMSA-N 362.422 2.222 30 40 FEEB biogenic,in-vitro N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)c(Cl)c1 581477470 LOFLRXDQGNKSSE-JSGCOSHPSA-N 352.843 2.401 30 40 FEEB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cccc(C#N)c5)C[C@H]4C3)n1)CCC2 2086992561 SMKJURVBZRERQH-QZTJIDSGSA-N 373.460 2.354 30 40 FEEB CC(C)NC(=O)[C@@H](C)N1CCN(c2cc(C#N)c3ccccc3n2)CC1 2086868773 GMYUNRZWUPBGEZ-OAHLLOKOSA-N 351.454 2.142 30 40 FEEB CC(=O)c1cc(C#N)c(SCCCN2C(=O)NC(C)(C)C2=O)nc1C 40089668 NUTQZTRBZNPRIG-UHFFFAOYSA-N 360.439 2.277 30 40 FEEB O=S(=O)(/N=C(/N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1 103654687 QXILVIYCHQPWDK-LFIBNONCSA-N 371.673 2.476 30 40 FEEB O=C1C=C/C(=N\Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c2cccnc21 12375262 GZWGWSBKUOSCIQ-YBFXNURJSA-N 352.306 2.330 30 40 FEEB Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C3CCCCCC3)CC2)o1 29711334 YQXPHLUWLYVARN-UHFFFAOYSA-N 359.474 2.158 30 40 FEEB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sccc2C#N)C1=O 14171418 SOCOCYZLNDMKBH-KRWDZBQOSA-N 354.391 2.025 30 40 FEEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NCCCO)c(C)c12 6624168 LLXXGLHROMSRRO-UHFFFAOYSA-N 359.422 2.406 30 40 FEEB biogenic Cc1c(C#N)c(N2CCC[C@H](S(=O)(=O)N(C)C)C2)nc2ccccc12 295704008 QIKDTLHHGOFIKT-AWEZNQCLSA-N 358.467 2.275 30 40 FEEB CCc1noc(C)c1/C(O)=N/S(=O)(=O)c1cc(OC)ccc1OC 48493132 CPQFYRBABIUYDA-UHFFFAOYSA-N 354.384 2.256 30 40 FEEB Cc1cc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC#N)C2=O)no1 13573590 QCRVIUFQRVFWTH-GFCCVEGCSA-N 355.379 2.107 30 40 FEEB COc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2CCO)cc1 102566457 GMRWMOQWGYXZNW-GHNGSUTGSA-N 367.401 2.418 30 40 FEEB COc1ccc(N2C[C@@H](/C(O)=N/c3nc(C(F)(F)F)n[nH]3)CC2=O)cc1 26251540 DHOPZARVVUQJTO-QMMMGPOBSA-N 369.303 2.473 30 40 FEEB N#Cc1c(N)cc(N)nc1SCC(=O)NCCSc1ccccc1 12600790 CTAOJAVECQOXLS-UHFFFAOYSA-N 359.480 2.118 30 40 FEEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)c(OC)c1 18196082 WINKYEJNACVINW-INIZCTEOSA-N 355.398 2.348 30 40 FEEB COc1cc(/C=N/Nc2nn[nH]n2)cc(Br)c1OC(C)C 6049747 WRUXIASXHOHACY-MKMNVTDBSA-N 355.196 2.204 30 40 FEEB O=S1(=O)N=C(N/N=C/c2ccc(Br)o2)c2ccccc21 4269887 YJNRVVWPILYMNE-VGOFMYFVSA-N 354.185 2.115 30 40 FEEB O=C1CSC(=S)N1/N=C/c1ccc(I)cc1 16925865 CCASOFFILCPTKN-LFYBBSHMSA-N 362.217 2.485 30 40 FEEB O=C(O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 4311650 XVWCAEMLHDZFLM-MRXNPFEDSA-N 355.321 2.489 30 40 FEEB C=CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)cc2)n(C)c1=O 8652096 NWPPPKSQIIUCLC-CQSZACIVSA-N 365.437 2.179 30 40 FEEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 5341860 UMXBNQAFWFFVOQ-OJVXUPTESA-N 356.444 2.083 30 40 FEEB O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1O 16952894 VBVMOMGAPOAISS-OVCLIPMQSA-N 355.759 2.266 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccs2)[C@@H](C#N)C(=O)N3)CC1 101441631 YSBIFJZUABPAPV-YPMHNXCESA-N 369.450 2.291 30 40 FEEB C=CC/N=C(\O)[C@@H](C)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40063284 VFMZVMAXOICUIR-CYBMUJFWSA-N 355.398 2.459 30 40 FEEB CCOC(=O)c1sc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C#N)c1C 78995851 MOAOKZFFRVSBDJ-QWRGUYRKSA-N 365.455 2.153 30 40 FEEB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC1=CC(=O)C(=O)c2ccccc21 100539064 LGGXWQIJJMSYOO-GOSISDBHSA-N 365.385 2.263 30 40 FEEB C=CCNC(=O)CN1CCN(C(=O)c2sc3ccccc3c2C)CC1 58409199 SOEMXLMMQICPTQ-UHFFFAOYSA-N 357.479 2.270 30 40 FEEB Cc1ccc2nc(SCC(=O)NC3(C#N)CCCC3)n(C)c(=O)c2c1 48312038 VSKBOFIGVPQUBR-UHFFFAOYSA-N 356.451 2.287 30 40 FEEB C#CCN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(F)cc1 60168292 AJARNUAPFLHIPD-UHFFFAOYSA-N 354.381 2.306 30 40 FEEB COc1ccc([C@]2(C)NC(=O)N(/N=C/c3cccc(OC)c3O)C2=O)cc1 3579648 MIDDBDIXMBSANB-ATASCALFSA-N 369.377 2.211 30 40 FEEB C=CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(F)cc2)n(C)c1=O 13554327 VTWLRWUBCSZFAB-GFCCVEGCSA-N 369.400 2.010 30 40 FEEB Cc1cccc(OCC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1 225481451 UQFIEALDDVDPRG-INIZCTEOSA-N 352.394 2.106 30 40 FEEB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)c1 225928143 RDHYSJNZOXFULL-UHFFFAOYSA-N 357.435 2.434 30 40 FEEB Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 252549993 RYTPRDMDMCQITQ-SHTZXODSSA-N 372.450 2.325 30 40 FEEB N=C(/N=C/c1cc([N+](=O)[O-])ccc1O)Nc1nc(O)c2ccccc2n1 16525458 RZKRIKBAVCEPOD-QGMBQPNBSA-N 352.310 2.415 30 40 FEEB O=C(C[C@H]1S/C(=N\C[C@H]2CCCO2)NC1=O)Nc1ccccc1Cl 7882662 KONTYCRNYKVDPV-ZWNOBZJWSA-N 367.858 2.435 30 40 FEEB C=CCN(CC(=O)NC(CC)CC)S(=O)(=O)c1ccc(OC)cc1 21471760 IAMHQXPOQWCDPZ-UHFFFAOYSA-N 354.472 2.177 30 40 FEEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1nc(=O)c2ccccc2[nH]1 21916759 YZHVOERRSDMUFG-CYBMUJFWSA-N 361.405 2.254 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)Nn3cnc4ccccc43)CC2)cc1 22423363 FZVHHBRLWZKFBS-UHFFFAOYSA-N 360.421 2.389 30 40 FEEB CS(=O)(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 2803376 BUNSHJDYYBLAKJ-UHFFFAOYSA-N 367.496 2.109 30 40 FEEB COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 24428963 JLPSRXXCYUQLQO-UHFFFAOYSA-N 373.434 2.135 30 40 FEEB C[C@H](C(=O)OCCOc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 35474373 HTAHDNHUYAULGS-CYBMUJFWSA-N 364.357 2.165 30 40 FEEB C[C@H](OS(=O)(=O)c1ccc(Br)cc1)C(F)(F)[N+](=O)[O-] 2066578 KUNZVHBBXOKNIP-LURJTMIESA-N 360.132 2.412 30 40 FEEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21 2493042 NNSXZXXAVUMRRN-HXUWFJFHSA-N 351.358 2.409 30 40 FEEB Cc1nn(CC(=O)N[C@@H](C)c2cc3ccccc3o2)c(=O)c(C#N)c1C 7385506 VRAGKDFZOLFXFF-ZDUSSCGKSA-N 350.378 2.355 30 40 FEEB C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC=C2C(=O)CO 70664717 UAEUTSQWOUBCLN-XRYUJSLGSA-N 360.425 2.455 30 40 FEEB biogenic Cc1ccc(C(=O)NC2CCN(CC(=O)N(C)C(C)(C)C#N)CC2)s1 51098772 VUKLQJJBYIWGCT-UHFFFAOYSA-N 362.499 2.011 30 40 FEEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1CCN(C)CC1 3169705 PZTABEZLRXGXSV-STZFKDTASA-N 358.364 2.241 30 40 FEEB CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1nccnc1C#N 72082217 ZVNUOLMAWOHQPC-LLVKDONJSA-N 352.316 2.243 30 40 FEEB O=S(=O)(/C=C/c1ccccc1)NCC#CCOc1ccc2c(c1)OCO2 90731007 KUPLSYPRHALMQK-JLHYYAGUSA-N 371.414 2.388 30 40 FEEB Cc1ccccc1NC(=O)CSc1sc2c(=O)[nH]c(=O)[nH]c2c1C#N 4993686 RARDERRQPQJCMB-UHFFFAOYSA-N 372.431 2.189 30 40 FEEB O=C(NC1CC1)c1cccc(/N=C(\O)c2cc(N3CCOCC3)ccn2)c1 23990109 JXRYLCYCCFOYKR-UHFFFAOYSA-N 366.421 2.447 30 40 FEEB C=CCOc1ccccc1C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 47853702 HYAWAMJEHXCOLH-UHFFFAOYSA-N 373.497 2.268 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1 24993125 UBURIRVFVBBBPS-OAHLLOKOSA-N 356.447 2.398 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 408724744 HEKMWLKACLSICE-KECDRRIQSA-N 351.362 2.434 30 40 FEEB N/C(COc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1ccnc(Cl)c1 4289366 JUOGKPJWZDOSNE-UHFFFAOYSA-N 350.718 2.151 30 40 FEEB N#CC1(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)CCCC1 1565552099 KFEXXVIISPJHRD-ZWKOTPCHSA-N 367.449 2.070 30 40 FEEB COc1cccc(/C=C/c2nc(C#N)c(N3CCN(C(C)=O)CC3)o2)c1 21799875 KGNPETBXIFBQGU-VOTSOKGWSA-N 352.394 2.394 30 40 FEEB COc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)N2CCOCC2)cc1 23731504 LLZKVQRHCWQBFZ-FQEVSTJZSA-N 365.433 2.370 30 40 FEEB COCCNC(=S)NCCNc1nc2c(C)cc(C)cc2cc1C#N 35312860 RSDHBPYIYPWJCE-UHFFFAOYSA-N 357.483 2.246 30 40 FEEB COc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1OC 37133004 RAOBBAFMBGJCOB-UHFFFAOYSA-N 368.437 2.301 30 40 FEEB C=CCNC(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 33325492 REJJCITXFMQYCX-HNNXBMFYSA-N 359.451 2.134 30 40 FEEB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC#Cc1ccccc1 32802817 SBEQDRVLQFYIBV-UHFFFAOYSA-N 352.419 2.178 30 40 FEEB N#Cc1c2c(cn(C[C@H]3CN(Cc4ccccc4)CCCO3)c1=O)CCC2 562052654 OMCRVPNXCGIHIK-LJQANCHMSA-N 363.461 2.500 30 40 FEEB Cc1ccc(/C(O)=N/S(=O)(=O)c2cccc(S(C)(=O)=O)c2)s1 54487054 RVUQBLBPCUTBKV-UHFFFAOYSA-N 359.450 2.154 30 40 FEEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN(CCO)CCO)CC[C@@H]21 2100914 UTGGCPQMMNZKJB-RCZSKKKRSA-N 373.493 2.374 30 40 FEEB Cc1ccccc1CNC(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1 23249071 AUHINCJHASLRCG-UHFFFAOYSA-N 362.477 2.301 30 40 FEEB C#CCCN1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 58299719 ZXCCZJYMYPARMA-UHFFFAOYSA-N 372.856 2.490 30 40 FEEB C/C(=N/Nc1nc(SCC(=O)NC2CCCC2)n[nH]1)c1ccccn1 6854975 JUGOMLOATJINEO-JAIQZWGSSA-N 359.459 2.187 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 7709166 MBCMGICBWZPEOZ-UHFFFAOYSA-N 374.418 2.410 30 40 FEEB O=[N+]([O-])c1cc(/C=N\NC(=S)N[C@H]2CN3CCC2CC3)ccc1Cl 33615408 QAEPWEWYYUOSQG-KCXFFNSDSA-N 367.862 2.140 30 40 FEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 40087053 JHLQEPZDFGKTDK-UHFFFAOYSA-N 367.365 2.294 30 40 FEEB N#Cc1cnc(N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c(Cl)c1 1888853372 MTIUYASMXDZCNZ-GJZGRUSLSA-N 366.808 2.228 30 40 FEEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccn1 20228955 QTMCIGLERXDHCF-MRXNPFEDSA-N 355.394 2.205 30 40 FEEB CC(C)(C#N)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 4511581 KOSSAPLMNLJQJT-QGZVFWFLSA-N 371.462 2.411 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 24536188 JKMJRHODEJCSRB-SFHVURJKSA-N 365.433 2.336 30 40 FEEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1 67870666 TZBAJGYVKONBAK-IRFCIJBXSA-N 370.541 2.311 30 40 FEEB biogenic,in-vitro CCS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225633342 FHOQQMNWWGYZEU-JKIFEVAISA-N 353.440 2.050 30 40 FEEB CN(C)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1 31399429 JHZVYBGSCPXOHU-UHFFFAOYSA-N 353.401 2.121 30 40 FEEB CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN(CCO)CCO)CC[C@H]21 100744292 UTGGCPQMMNZKJB-CBQOVEMMSA-N 373.493 2.374 30 40 FEEB biogenic Cc1cc(C)n(-c2ccc(CNS(=O)(=O)c3cccc(C#N)c3)cn2)n1 56096950 ZVKDXIJKHIGBED-UHFFFAOYSA-N 367.434 2.234 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@@H]1c1cccnc1 100914323 ZJCDQMPFJDDDPF-DVBCCOPCSA-N 367.405 2.214 30 40 FEEB COc1ccccc1N1CCN(CC(=O)Nc2sccc2C#N)CC1 36122897 OZZJWVMJOHLEDG-UHFFFAOYSA-N 356.451 2.389 30 40 FEEB CCn1cc(C#N)c(=O)n(Cc2nc(-c3ccc(C(C)C)cc3)no2)c1=O 10854096 GADKPKBMZKLKTO-UHFFFAOYSA-N 365.393 2.123 30 40 FEEB C#CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409044998 XCOPPWZWANUREA-RVDMUPIBSA-N 373.390 2.101 30 40 FEEB C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 33794380 SESFNUXMUWRAMG-INIZCTEOSA-N 350.484 2.315 30 40 FEEB N#Cc1ccc(N2CCC(Cn3nc(-c4ccncc4)ccc3=O)CC2)nc1 585500435 IAVQOJLRNDNJOI-UHFFFAOYSA-N 372.432 2.489 30 40 FEEB COC(=O)c1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 13768647 BULLMQRUKVOILM-SXGWCWSVSA-N 374.370 2.428 30 40 FEEB CCCCCCCCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C 1596704 AJSUMYOVGNYYOJ-UHFFFAOYSA-N 350.463 2.490 30 40 FEEB C=CCn1c(SCC(=O)NC(=O)NCCC)nnc1-c1ccccc1 4285765 HEOXKVNCRIAOFL-UHFFFAOYSA-N 359.455 2.459 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccccc2)cc1 6786599 ZQIXYJNISDXMRW-QGZVFWFLSA-N 353.374 2.266 30 40 FEEB biogenic N#Cc1ccc(S(=O)(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10668947 OTIWKRLIRDTWML-UHFFFAOYSA-N 355.419 2.385 30 40 FEEB CC(C)C(=O)N1CC[C@H](NC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 95453902 ZLXAPYWZAQYEGK-QWHCGFSZSA-N 356.451 2.277 30 40 FEEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1C[C@H]1CCCO1 225870307 NZXFODRLAHALOS-GOSISDBHSA-N 351.454 2.448 30 40 FEEB CC(C)n1c2ccccc2n2c(=O)c(=O)n(Cc3ccccc3C#N)nc12 1332680 ABKQLULJNAAPIL-UHFFFAOYSA-N 359.389 2.312 30 40 FEEB COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)NC1CC1 7268474 RRGGMHGEZVIAJK-UHFFFAOYSA-N 371.418 2.260 30 40 FEEB C=CCNc1nnc(SCc2ccc(S(=O)(=O)N(C)C)o2)s1 47313459 ZWHKVWRODVBXRM-UHFFFAOYSA-N 360.486 2.272 30 40 FEEB Cc1cccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101312416 LUVYUNKFNBXUDW-FZJVYVCZSA-N 350.465 2.006 30 40 FEEB N#Cc1ccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 11155705 VAKWBRMPJCCEOJ-SFHVURJKSA-N 369.446 2.190 30 40 FEEB C#CCN(Cc1ccco1)C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 60183056 QHOKYSPNNNFXMX-HNNXBMFYSA-N 352.390 2.303 30 40 FEEB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C#N)cc1)C2=O 3378161 PYMXISUANGPPPV-UHFFFAOYSA-N 354.410 2.388 30 40 FEEB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 4487609 CUBRZTDOLHZVHX-AWEZNQCLSA-N 369.421 2.363 30 40 FEEB CN(C)c1nccc(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1 301863883 FLCUGYPTFIQWTE-UHFFFAOYSA-N 363.469 2.015 30 40 FEEB C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1nc(=O)c2ccccc2[nH]1 58160567 QLZBBLGDDCGHOZ-CYBMUJFWSA-N 361.405 2.254 30 40 FEEB C#CCCN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 58245792 ONHVVYRASORPED-UHFFFAOYSA-N 373.456 2.322 30 40 FEEB CCN(C[C@@H]1CCCO1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 58379386 WNLUKNCVVOJXFZ-INIZCTEOSA-N 355.442 2.178 30 40 FEEB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)CC1 12778315 WLGNFBKJQOTOIQ-AWEZNQCLSA-N 357.410 2.343 30 40 FEEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N)nn32)ccc1O 18199820 TXHSQIVHVOCQCS-OAHLLOKOSA-N 355.398 2.233 30 40 FEEB C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1N1CCOCC1 14094512 RUQRZEKIWPXVNC-UHFFFAOYSA-N 373.482 2.340 30 40 FEEB C#CCOc1ccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1 89756798 UQNKSOCWDXEHAD-GOSISDBHSA-N 353.422 2.018 30 40 FEEB COc1cccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408537628 WKALDIYSUFBKOF-YXAMBPQSSA-N 355.394 2.281 30 40 FEEB N#CC1(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3ccccc3)C2)CCCC1 2055734519 GEIUZAYXNNSHKL-IXDOHACOSA-N 353.422 2.325 30 40 FEEB C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(N)cc1 33960876 MDEDDROCPCAXCL-ZVHZXABRSA-N 366.473 2.490 30 40 FEEB Cc1cccc(NC(=O)C(=O)[C@@H]([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C 1627896 JYENQJXMPABEPI-DOTOQJQBSA-N 368.345 2.368 30 40 FEEB N#Cc1cccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1 4945380 DELZCJMEGBCTCR-UHFFFAOYSA-N 358.404 2.293 30 40 FEEB Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H]2COc3ccccc3O2)n1 6606078 YCKODBVUPSKYRW-ABAIWWIYSA-N 358.375 2.011 30 40 FEEB CCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(OC)c1 3373680 GRLMBZQKTYSBDY-UHFFFAOYSA-N 366.421 2.466 30 40 FEEB Cn1cc(S(=O)(=O)/N=C(\O)Cc2ccc(OC(F)(F)F)cc2)cn1 48676352 ANZULRMRTDTTLJ-UHFFFAOYSA-N 363.317 2.207 30 40 FEEB N#Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)cc1 13024268 OWOXEWCWIUFONP-UHFFFAOYSA-N 352.419 2.282 30 40 FEEB Cc1ccc2nc([C@@H](C#N)C3=NS(=O)(=O)c4ccccc43)nc(O)c2c1 5072491 JXSROSMRSJJXSD-ZDUSSCGKSA-N 364.386 2.443 30 40 FEEB O=[N+]([O-])c1ccccc1/C=N\NC(=S)N/N=C\c1ccccc1[N+](=O)[O-] 61887786 MSEWEKWTCRFOSN-CQRYCMKKSA-N 372.366 2.335 30 40 FEEB CS[C@@H]1C(C(=O)C(C)(C)C)=C(CC(=O)O)C(=O)N1C[C@@H]1CCCO1 62716411 OGWFFXWLMQTAQZ-MGPLVRAMSA-N 355.456 2.083 30 40 FEEB Cn1cc(S(=O)(=O)/N=C(\O)CCc2cccc(Cl)c2)cc1C(N)=O 48557873 SLVDMYAVCZUJCR-UHFFFAOYSA-N 369.830 2.055 30 40 FEEB COCCCn1c(S[C@H](C)C#N)nc2cc(C(=O)OC)ccc2c1=O 6374422 NQBKQULIKUMWCN-LLVKDONJSA-N 361.423 2.224 30 40 FEEB CCCN(CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccc(C#N)cc1 47739971 JHKHBGGSGXEMHL-UHFFFAOYSA-N 357.454 2.182 30 40 FEEB O=S(=O)(c1ccc(N/N=C2/C=Nc3ccccc32)cc1)N1CCOCC1 109946739 CIRQVQZWOPQLMD-UZYVYHOESA-N 370.434 2.240 30 40 FEEB CCCCn1c(S[C@H](C)C(=O)Nc2sccc2C#N)n[nH]c1=O 12912290 OLQFDDYJGAGMHI-SECBINFHSA-N 351.457 2.424 30 40 FEEB CN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1C[C@@H](C(N)=O)C1 1548451636 LKBPVRHRFNJZNI-GSJFWJNXSA-N 372.816 2.125 30 40 FEEB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2)nn1 1888860399 UODKFJUCYSMIDH-JWTNVVGKSA-N 351.410 2.304 30 40 FEEB CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N\n2cnnc2)cc1 33317816 ATPDUAOCUJXURM-FBHDLOMBSA-N 350.334 2.305 30 40 FEEB Cc1oc(-c2nc(C#N)c(NCC(C)C)o2)cc1S(=O)(=O)N(C)C 40268632 COZGISDRYRUAAY-UHFFFAOYSA-N 352.416 2.433 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(O)/C=C/c2ccco2)c1 54487060 MWUVGYDPTRHKCC-BQYQJAHWSA-N 355.393 2.042 30 40 FEEB N#Cc1ccc(F)c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 24014235 KVQUPLVGDZDFQN-UHFFFAOYSA-N 359.426 2.204 30 40 FEEB Cc1cccc(NCC(=O)N[C@](C)(C#N)C2CC2)c1C(=O)N1CCCC1 55846440 IPEQTRHNAVPOOI-HXUWFJFHSA-N 354.454 2.451 30 40 FEEB N#Cc1cccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)NC(=O)CS3)c1 48598107 QMKRNISVXVEDAD-UHFFFAOYSA-N 373.415 2.296 30 40 FEEB O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@H](c1ccccc1F)N1CCOCC1 329861184 QBYCSMUVAKCHDS-KDOFPFPSSA-N 358.417 2.436 30 40 FEEB C#Cc1cncc(C(=O)N2CCO[C@](C)(CNC(=O)C[C@@H](C)C(C)C)C2)c1 1775990364 AKCUQZBIJUZQLP-IIBYNOLFSA-N 371.481 2.092 30 40 FEEB C#CCN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(OCC)c2)C1=O 15012749 AYOOVBWTDOQHAP-ZROIWOOFSA-N 361.375 2.218 30 40 FEEB N#CC1(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CCCCC1 102815083 KUCBBGWRQDCAQE-DZWFSIPVSA-N 360.454 2.204 30 40 FEEB Cc1ccc(CN2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101301824 FDUFFMCEMHPSFI-UICBKRPASA-N 364.492 2.002 30 40 FEEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)[C@@H]1CC(=O)Nc2ccccc21 48506155 ZRYZNGLSCILMCS-OAHLLOKOSA-N 369.402 2.471 30 40 FEEB CCOc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(F)cc1 6439565 REFPPECNWHUGMH-KEBDBYFISA-N 356.361 2.254 30 40 FEEB C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC(=O)N(CCC#N)CCC#N 72311050 RLAZCMRQDASEKQ-BZQUYTCOSA-N 360.483 2.073 30 40 FEEB COC(=O)c1cccc(NC(=O)CN(CCC#N)Cc2ccccn2)c1 72308639 ZAYRQGLRWJGPLB-UHFFFAOYSA-N 352.394 2.223 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1OC 4474995 SDANLBNXRDVLKC-NQWZUSNRSA-N 352.390 2.235 30 40 FEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 36806927 HROSFTXZAWTXIZ-FQEVSTJZSA-N 360.373 2.276 30 40 FEEB COCCN(Cc1ccccc1C#N)S(=O)(=O)c1ccc(C#N)cc1 54253445 DJYHBQZOBLQHEN-UHFFFAOYSA-N 355.419 2.267 30 40 FEEB N#Cc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c1 26816412 JGVHENAROUJLRY-INIZCTEOSA-N 373.459 2.261 30 40 FEEB C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(CNC(C)=O)s1 58266568 OTZVXDUDIZHDRL-UHFFFAOYSA-N 354.497 2.341 30 40 FEEB Cc1ccc(CN2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101302024 FCXXMGFSPXNMQU-WPIBOPBSSA-N 366.508 2.248 30 40 FEEB C/C(=N\c1ccccc1/N=C\c1ccnn1C)c1c(O)[nH]c(=O)sc1=O 36621241 ICMCZPNWNBZILD-URNXOSEYSA-N 369.406 2.127 30 40 FEEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccccc3O)c(O)nc12 8970114 LHMFJCXSMVUESP-DJKKODMXSA-N 350.334 2.180 30 40 FEEB N#Cc1ccc(F)c(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 9498274 IWRFWEJHWMHMFE-LJQANCHMSA-N 351.337 2.427 30 40 FEEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 408941544 WYQKEGRRIHLRTO-ATVHPVEESA-N 362.341 2.071 30 40 FEEB O=S1(=O)CCC[C@H]1C/N=C(/O)N1CCCn2c(cc3ccccc32)C1 329275346 JTYYCUWMGRCUNX-INIZCTEOSA-N 361.467 2.338 30 40 FEEB N#Cc1ccnc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n1 1888859867 BXXXRGJVCMSOQM-UHFFFAOYSA-N 357.368 2.280 30 40 FEEB CC(=O)/N=c1\c(C#N)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 3180159 BDSYBCMDCLKRGK-FCDQGJHFSA-N 369.384 2.016 30 40 FEEB COCCCNC(=S)NCCNc1nc2ccc(OC)cc2cc1C#N 20151223 MLVDPAVHNBFUNI-UHFFFAOYSA-N 373.482 2.028 30 40 FEEB CCOC(=O)[C@@](C#N)(Cc1ccc(C(=O)c2ccccc2)cc1)NC(C)=O 22047205 LGUNMAHNWXJYJY-NRFANRHFSA-N 364.401 2.422 30 40 FEEB in-vitro N#Cc1ccc(OCC(=O)OCC(=O)N2CCCc3ccccc32)cc1 3319006 KTEGEMSOGYRSIR-UHFFFAOYSA-N 350.374 2.460 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCCO2 5307245 YWNNDSYGUPRJHY-WSSFADSRSA-N 358.394 2.069 30 40 FEEB O=[N+]([O-])c1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)o1 13139739 SKUFHMTWCCQOFP-BOPFTXTBSA-N 372.389 2.019 30 40 FEEB Cc1ccc(S(=O)(=O)N=C2NCN([C@H]3CCCC[C@@H]3C)CN2)cc1 19330769 FRWWBGRTYQVKEJ-HOCLYGCPSA-N 350.488 2.028 30 40 FEEB C[C@H](Oc1ccccc1)C(=O)NCC1CCN(c2nccnc2C#N)CC1 206602127 DYMZURAMRCETHO-HNNXBMFYSA-N 365.437 2.148 30 40 FEEB COC(=O)c1sc2c(c1/N=C/N1C[C@@H](C)O[C@H](C)C1)NC(=O)CS2 100933973 IFURXWRPCMPIOV-CINGQBRGSA-N 369.468 2.348 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 101318253 CVCNKGUARBFDBW-BKJYESAMSA-N 352.481 2.315 30 40 FEEB C=CCc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc(OC)c1OC 10268729 CAFCAICRLRTLTG-QGZVFWFLSA-N 354.406 2.389 30 40 FEEB COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N/N=C/c3ccco3)S2)cc1 2254221 MKBDRKARLHCCCT-XKYMITNMSA-N 372.406 2.239 30 40 FEEB NC(N)=N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 59399021 RWYDEKOCYDHDPS-DJKKODMXSA-N 361.199 2.276 30 40 FEEB CCOc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 48311897 CUMARSXGEXIQTJ-UHFFFAOYSA-N 373.434 2.460 30 40 FEEB C=C(C)COc1ccc2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c1 13624028 CZQMVTXPYJLJCO-UHFFFAOYSA-N 370.449 2.373 30 40 FEEB O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2ccccc2F)c2ccccc21 18201198 UCOQYMKWHBPZBS-ZDUSSCGKSA-N 361.332 2.367 30 40 FEEB C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 84637512 WVIOVIDRPOJEJJ-PBHICJAKSA-N 367.371 2.428 30 40 FEEB C#CCOc1cc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)ccc1OC 524733999 LIXLXJDZCLWUHH-AWEZNQCLSA-N 353.374 2.155 30 40 FEEB N#Cc1ncccc1N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888890461 WPDOVTLLYHMZNL-ZDUSSCGKSA-N 361.409 2.174 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2087126157 GOVYIOXOYYWQJD-HNNXBMFYSA-N 364.396 2.033 30 40 FEEB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)C1(C#N)CCCC1)C2 1565553541 CHZPSSJLXOCWBY-IBGZPJMESA-N 372.494 2.082 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O 10233778 KOFBGENAWBNCSP-UHFFFAOYSA-N 365.437 2.241 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 225480017 IJJBNDJAYRCFAD-CYBMUJFWSA-N 363.377 2.102 30 40 FEEB CCN(CC)CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21 20112203 USZGBQNPODHPSE-BJFZXJCHSA-N 364.530 2.443 30 40 FEEB biogenic C=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 4832432 PFLAHKFBCIODGD-UHFFFAOYSA-N 358.463 2.488 30 40 FEEB C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 56140093 KZEGELHKEHLUPV-OAHLLOKOSA-N 357.497 2.174 30 40 FEEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@H]4CO)[C@H]3[C@@H]3O[C@@]132 4028564 WVSCSEOKEKFLHB-QZSBMYPVSA-N 363.498 2.359 30 40 FEEB biogenic COCc1cc(C)n(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(=O)c1C#N 408598754 ATOLACVUTHZOMC-UHFFFAOYSA-N 370.365 2.030 30 40 FEEB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCSC[C@@H]1C#N)CC2 95460636 UWLKMEKEYJBXDA-MNOVXSKESA-N 370.400 2.376 30 40 FEEB C=C(Cl)CS(=O)(=O)NC(=O)c1cccc(OCc2cccnc2)c1 95997330 XUJKTDIWHYDLEF-UHFFFAOYSA-N 366.826 2.473 30 40 FEEB N#Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408536975 UFCBKFSDJLCHRS-CAVOSLQRSA-N 350.378 2.144 30 40 FEEB C=CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC=C)[C@H]1c1ccccc1 239432899 WVFVEGCATABCCP-NYUBLWNDSA-N 372.417 2.185 30 40 FEEB C/C(=N/NC(=S)Nc1ccc(S(=O)(=O)O)cc1)c1ccccn1 5502916 JJJGHIWJHORGFY-YVLHZVERSA-N 350.425 2.039 30 40 FEEB CCc1nc(S[C@H](C)C(=O)Nc2ccc(OC)cc2)[nH]c(=O)c1C#N 5239009 FFESGIVFVBZLSF-SNVBAGLBSA-N 358.423 2.332 30 40 FEEB CSc1ncc(C#N)c(N2CCC[C@H](N(C)c3ncc(C)cn3)C2)n1 1888863577 UJEGKQHQYDIQEP-AWEZNQCLSA-N 355.471 2.274 30 40 FEEB N#Cc1cnc(SCC(=O)Nc2ccc(Br)cc2)nc1N 1223626 FCEQMNHTLUPSRG-UHFFFAOYSA-N 364.228 2.424 30 40 FEEB COc1ccc(CN/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 20195759 PKQJFLVJEMBOGY-VXLYETTFSA-N 361.354 2.450 30 40 FEEB C=CCN(CC=C)C(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 9183820 DMCVKYVUNLQQIB-UHFFFAOYSA-N 356.426 2.136 30 40 FEEB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N/n3cnnc3)cc2)cc1 409203423 XWFOPTDQESAEMD-LSHDLFTRSA-N 363.377 2.264 30 40 FEEB N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccccc4)C3)C2)nc1 562725354 RXXCJFNRKKFYLH-IEBWSBKVSA-N 362.433 2.459 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)c(Cl)c1 581477471 LOFLRXDQGNKSSE-OCCSQVGLSA-N 352.843 2.401 30 40 FEEB C#CCOC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22805129 BBPRXQMYQJRYDK-QFIPXVFZSA-N 364.489 2.404 30 40 FEEB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3nccnc3C#N)CC2)cn1 1149467392 WBHXNMDDHCTBEB-UHFFFAOYSA-N 365.441 2.054 30 40 FEEB CC(C)CCC(=O)NCC(=O)OCC(=O)N(CCC#N)c1ccccc1 57919692 YKWQTRCJVOLZTF-UHFFFAOYSA-N 359.426 2.029 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1 408708482 ILXPQFHJKMQLAB-CQSZACIVSA-N 351.406 2.418 30 40 FEEB C=CCN1CC[C@@]2(CN(C(=O)c3ccco3)C[C@H]2c2nccs2)C1=O 306135255 OLVLRAAZJSZIGU-UGSOOPFHSA-N 357.435 2.380 30 40 FEEB N#Cc1ccc(OC[C@H](O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 14185746 MNYTZLIRZUTQFL-CQSZACIVSA-N 355.781 2.361 30 40 FEEB COc1ccc(NC(=O)c2cnc3nc(SCC#N)nn3c2C)cc1 6764653 BKZZPXOPFCNJTF-UHFFFAOYSA-N 354.395 2.309 30 40 FEEB CCOCCCn1c(=C(C#N)C#N)s/c(=C\c2ccc(Cl)cc2)c1=O 96793357 MTRAFYYSGHAZCC-YBEGLDIGSA-N 373.865 2.016 30 40 FEEB N#C[C@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CCNC1 592955824 FMMSYRCQUGYDIX-GOSISDBHSA-N 353.451 2.148 30 40 FEEB CC(C)(C)c1nc2c(o1)NC(N)=C(C(N)=O)[C@H]2c1ccc(OCC#N)cc1 5632617 ADQXFGBPOFISAC-GFCCVEGCSA-N 367.409 2.087 30 40 FEEB CCN1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1 5791281 XEFHXANTZBMWQK-UHFFFAOYSA-N 351.454 2.348 30 40 FEEB Cc1cc(C(=O)C[n+]2cccc(C(N)=O)c2)c(C)n1Cc1cccs1 6948788 OCNBEFJYJCRTAN-UHFFFAOYSA-O 354.455 2.484 30 40 FEEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 18199417 KRURWLTUXVCWGX-AWEZNQCLSA-N 353.378 2.026 30 40 FEEB C=CCOc1ccccc1CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19016108 WYEBOYQRNSOPBS-UHFFFAOYSA-N 366.465 2.493 30 40 FEEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)N1CCC[C@H](O)C1 19399819 CDWVQXMXBFLTFX-FQEVSTJZSA-N 372.428 2.264 30 40 FEEB CCc1nnc2c(=O)n(CC(=O)Nc3cccc(C#N)c3)c3ccccc3n12 64871588 KHBYXIKLDZWTBH-UHFFFAOYSA-N 372.388 2.117 30 40 FEEB C=CCn1/c(=N/C(=O)CCCC)sc2cc(S(N)(=O)=O)ccc21 100874813 URSUWHQTYOKCEW-ICFOKQHNSA-N 353.469 2.154 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)cc1 100937507 UKRUUMFKDDBCSG-FZJVYVCZSA-N 368.480 2.097 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 101306193 TUPHGCOGKPLHKJ-QJGXAYKQSA-N 370.471 2.473 30 40 FEEB C#CCN(C)Cc1nc(C2(O)CCN(C(=O)C(CC)CC)CC2)cs1 225470621 QYQAUTCLIJWAMD-UHFFFAOYSA-N 363.527 2.454 30 40 FEEB biogenic,in-vitro C=CCNc1nc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cs1 3508764 ZRMUPYSFHFEDAF-UHFFFAOYSA-N 361.379 2.265 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 5490121 PJCZQMMZVJADLU-OVJMFRMASA-N 356.444 2.227 30 40 FEEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 4962498 WDQYJHGXDRWSKW-LDADJPATSA-N 358.379 2.477 30 40 FEEB N#Cc1cccnc1N1CCCN(C(=O)C[C@@H](O)c2ccccc2)CC1 91172589 BSTWFFXAUDSEOJ-GOSISDBHSA-N 350.422 2.116 30 40 FEEB Cc1ccncc1N=C(O)c1csc(S(=O)(=O)N2CCOCC2)c1 329127764 ZFLNJRKIDSRCPC-UHFFFAOYSA-N 367.452 2.109 30 40 FEEB C=CCOC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)cnn2c1C 19817043 PYQRHTOBJSDGGB-UHFFFAOYSA-N 354.366 2.460 30 40 FEEB C=CCN1C(=O)[C@@](NC(=O)OCC)(C(F)(F)F)N=C1c1ccccc1 12413584 VFJISDQQMPHWBN-OAHLLOKOSA-N 355.316 2.466 30 40 FEEB CCCc1noc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 27107000 IUDJCTXKQFGERO-UHFFFAOYSA-N 368.397 2.464 30 40 FEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1cccc([N+](=O)[O-])c1 408536012 PNARABSGHBQDOY-GFCCVEGCSA-N 370.296 2.335 30 40 FEEB COc1cc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)ccc1OC(C)C 9174142 RDZSRKRXDVPCPN-IBGZPJMESA-N 360.410 2.448 30 40 FEEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 6671906 YXMAGCHSAOVBEC-OLZOCXBDSA-N 366.464 2.066 30 40 FEEB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)C1 15978295 YKXLXVDIILCJIJ-OKILXGFUSA-N 357.410 2.200 30 40 FEEB CSc1ccc(/C=c2/s/c(=C(\C#N)C(=O)C(C)(C)C)n(C)c2=O)cc1 96851425 DIZDNGUWGVFVPQ-MRWOEZCISA-N 372.515 2.287 30 40 FEEB C=C(Cl)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C 9964864 LKULAYUAZIUTSI-UHFFFAOYSA-N 354.863 2.299 30 40 FEEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)NC1=S 408963473 BUSOYBVVGCLUHB-RVDMUPIBSA-N 355.394 2.429 30 40 FEEB N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCCN(c3ccccc3)C2)c1 589291188 UMWJAGRUVQVYRL-HNNXBMFYSA-N 356.451 2.148 30 40 FEEB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@H](C#N)CCC#N)C1=O 53726768 GEBKLPAXGSSMTL-ORAYPTAESA-N 352.394 2.222 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C(/C)NNc2cccc3ccccc23)C1=O 5093389 BAQANXUAVWANHN-FOWTUZBSSA-N 350.378 2.295 30 40 FEEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 5370295 SDFFEYOWUVDLQY-OJVXUPTESA-N 356.444 2.083 30 40 FEEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)N1CCC(O)CC1 19399815 JITFMBUYSKLPFV-UHFFFAOYSA-N 372.428 2.264 30 40 FEEB N#CCOc1ccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 10413549 OHDASPGZDIOBMF-UHFFFAOYSA-N 371.418 2.381 30 40 FEEB C[C@H]1CN(C[C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C[C@@H](C)O1 58249067 RHPHOYVYFLXRPW-NTDBWNAOSA-N 371.481 2.426 30 40 FEEB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccccc1C#N 12773955 XBEUTSWWXLORLM-UHFFFAOYSA-N 371.462 2.216 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 5370708 RIMPXQJTQJWWAX-SDGVZRARSA-N 352.481 2.315 30 40 FEEB CN(C)C(=O)Cn1cc2c(n1)[C@@H](NC(=O)Nc1cccc(C#N)c1)CCC2 96002753 IAAUEYNDNKULQL-INIZCTEOSA-N 366.425 2.042 30 40 FEEB Cc1cccc([C@@H]2CCCCN2c2c(C#N)c(=O)n(C)c(=O)n2C)c1C 80758338 QPRKTSHXWNCTOJ-KRWDZBQOSA-N 352.438 2.304 30 40 FEEB N#Cc1cccnc1N1CCCN(C(=O)C[C@H](O)c2ccccc2)CC1 91172588 BSTWFFXAUDSEOJ-SFHVURJKSA-N 350.422 2.116 30 40 FEEB CCO[C@H](C)n1cc([C@H]2[C@@H]3C(=O)CC(C)(C)C[C@@H]3O[C@@H](N)[C@H]2C#N)cn1 408717912 HMTDBNOQQCQJMQ-NYRQRYPVSA-N 360.458 2.350 30 40 FEEB O=C(O)[C@H](CS)n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387732 JQJZSEJFQQHMJQ-HNNXBMFYSA-N 366.402 2.267 30 40 FEEB Cc1nc(N2CCC(NS(=O)(=O)C3CC3)CC2)c(C#N)c(C)c1Cl 1889103548 LQHNVADPBKWCGK-UHFFFAOYSA-N 368.890 2.274 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)Nc2ccc(F)c(F)c2F)c1C#N 32776358 YKAXIRBHBPGPSQ-UHFFFAOYSA-N 354.313 2.098 30 40 FEEB C[C@@H](/C(O)=N/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 54422099 AFTVYCGCBROKFF-NSHDSACASA-N 371.411 2.333 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 20445331 BQOCKLURBPQTNJ-QJGXAYKQSA-N 366.508 2.330 30 40 FEEB N#Cc1ncn(CC(=O)N2N=C(/C=C/c3ccco3)C[C@@H]2c2ccco2)n1 12934534 UYWFZYKUIXIMLL-LLYBFZRZSA-N 362.349 2.379 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 5516556 ZRVIAQNUNWXELW-VVMFYBRISA-N 358.872 2.351 30 40 FEEB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1sccc1C#N 16795542 SWMDWFHODRCOMS-VIFPVBQESA-N 358.379 2.294 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 86062901 TUPHGCOGKPLHKJ-OFXSGMSSSA-N 370.471 2.473 30 40 FEEB COc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1S(=O)(=O)N(C)C 15029937 BKHWEALPYWTGKW-UHFFFAOYSA-N 373.434 2.264 30 40 FEEB N#Cc1ccc(S(=O)(=O)NCC(=O)OC/C=C/c2ccccc2)cc1 5427470 DPFPBWSTDRHBHQ-QPJJXVBHSA-N 356.403 2.093 30 40 FEEB C[C@@H](OCC(F)(F)F)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 43041547 KHGRHIDGVSXWRK-LLVKDONJSA-N 359.323 2.313 30 40 FEEB C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)N1CCc2sccc2C1 26839749 DJJVTSNGJQYJQA-CYBMUJFWSA-N 361.492 2.345 30 40 FEEB COCCNc1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)s1 39579191 OHPRHNHMMVAXRX-LLVKDONJSA-N 369.516 2.420 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccco2)[C@H]1c1cccnc1 19829845 GBHGKKULPGZIAM-YVSRKESGSA-N 367.405 2.214 30 40 FEEB CN(C)c1ccc(C(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1 90730887 CRSYDQNCPPPFIP-UHFFFAOYSA-N 352.390 2.294 30 40 FEEB N#Cc1cccc(C(=O)N2Cc3ccnn3[C@H](C(=O)NC3CCCC3)C2)c1 575403233 FXELTQVZOMOBIN-SFHVURJKSA-N 363.421 2.011 30 40 FEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 32876761 GTZJKQVYLQGHAT-UHFFFAOYSA-N 372.768 2.383 30 40 FEEB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCCC2)C1=O 4954690 WOIANUOTGLXVFN-HXUWFJFHSA-N 368.437 2.186 30 40 FEEB N#CC1(NC(=O)COC(=O)c2cncc(Br)c2)CCCCC1 6916934 FLJMDSQIRRYVTH-UHFFFAOYSA-N 366.215 2.344 30 40 FEEB COc1ccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(F)cc43)c2=O)cc1 9137999 BNXUQXLTTCWWOG-AWQFTUOYSA-N 352.325 2.201 30 40 FEEB O=C1CN(C/C(O)=N/c2nnc(C3CCC3)s2)CCN1C1CCCC1 19658420 ZNIIVBPNJKFDMW-UHFFFAOYSA-N 363.487 2.480 30 40 FEEB COc1cc2c(cc1OC)n(CC#N)c(=O)n1nc(-c3ccccc3)nc21 69350515 SPLXYPMRAABYDN-UHFFFAOYSA-N 361.361 2.252 30 40 FEEB O=C1C(Cl)=C(N2C(=O)c3ccccc3S2(=O)=O)C(=O)c2ccccc21 91302224 XPDFSXVTRIBCGW-UHFFFAOYSA-N 373.773 2.361 30 40 FEEB N#Cc1cc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)ccn1 286055395 CFZYLWNGZPHSHM-GOSISDBHSA-N 362.481 2.387 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(C(=O)Cc4noc5ccccc45)C[C@@H]3C2)nc1 1888914281 YEKSJPSPYOQYBM-HOTGVXAUSA-N 373.416 2.232 30 40 FEEB CCCCN(CC)c1nc(N)c2c(N)nc(SCC(=O)O)cc2c1C#N 3394613 IENXHTDDGWPBEQ-UHFFFAOYSA-N 374.470 2.469 30 40 FEEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 32506184 ODTFYBMCAAUOGU-QLXQBBHQSA-N 352.481 2.478 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1 32507493 MECVTFMOZDTJFM-XUMKSBJFSA-N 362.835 2.100 30 40 FEEB C[C@H]1CN(/C(O)=N/CCc2cnc(C3CC3)nc2)CCN1CC(F)(F)F 328863574 BDSCRWYFLGQCRG-LBPRGKRZSA-N 371.407 2.379 30 40 FEEB CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(N)=N/OCC(=O)NC1CCCC1 40158264 AUOAEAQNUNJONS-AWEZNQCLSA-N 370.494 2.273 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245229118 NRAWHIODSJYFAC-LCSHRDMOSA-N 370.540 2.318 30 40 FEEB N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@H]3CC3(F)F)C2=O)cc1 598654371 FIJLXCFPVUVQPK-GJZGRUSLSA-N 362.380 2.004 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 50275629 BGHAAMGPRSAHMS-HXUWFJFHSA-N 362.518 2.155 30 40 FEEB COC(=O)[C@@H]([C@@H](SC(C)=O)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] 2239928 QUDSEISCSVORLY-CABCVRRESA-N 364.379 2.441 30 40 FEEB C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C)c1ccccc1 4713310 TVLQCKCURXWGGB-LPYMAVHISA-N 368.441 2.306 30 40 FEEB COc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)c2C#N)cc1OC 9315112 ILUICVVPZCCZJK-VIFPVBQESA-N 373.438 2.254 30 40 FEEB COC(=O)[C@@](C)(c1ccccn1)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N 95462375 HXDSCIAIIGXVFX-JLTOFOAXSA-N 367.405 2.267 30 40 FEEB N#Cc1cccc(C2(NC(=O)c3ccc(C(=O)O)nc3)CCOCC2)c1 595997024 INZOMFVYPOAPPF-UHFFFAOYSA-N 351.362 2.087 30 40 FEEB N#CCc1cccc(S(=O)(=O)N2CCc3sccc3[C@H]2C(=O)O)c1 619471699 GQJUIMAKWBRVFS-HNNXBMFYSA-N 362.432 2.187 30 40 FEEB N#Cc1cccc(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 28254978 OWTKGILSIHVJLE-UHFFFAOYSA-N 369.402 2.008 30 40 FEEB N#Cc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 48642557 FYUKAJZNMLOYQG-UHFFFAOYSA-N 355.375 2.136 30 40 FEEB CCOc1cc(/C=N/NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O 27025602 RGRKZMWNPVKUCP-MHWRWJLKSA-N 365.367 2.012 30 40 FEEB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccccc2)cc1 32891675 HHQDJJXJDZDBMN-UHFFFAOYSA-N 370.474 2.499 30 40 FEEB O=[N+]([O-])c1cc2c(cc1/C=N/NC(=S)NC1CCCCC1)OCO2 3376318 CFNWHCAIOBRMFP-LZYBPNLTSA-N 350.400 2.454 30 40 FEEB Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N1C[C@H](C)O[C@H](C)C1 407983479 POUCJIODWIALDG-BETUJISGSA-N 373.840 2.471 30 40 FEEB C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1Cl 12922022 AIYYCPONJJHYGM-QMMMGPOBSA-N 353.209 2.436 30 40 FEEB O=C(C[C@@H]1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccc(F)cc1 13895609 SSPHKQCHFXYJGL-ANKPHQHTSA-N 371.397 2.171 30 40 FEEB Cn1cc(CN2CCC[C@]3(COCCN(c4cccc(C#N)c4)C3)C2)cn1 96228999 HMUDPVZMUMEADE-NRFANRHFSA-N 365.481 2.411 30 40 FEEB CCOC[C@@H]1CN(CCOc2ccccc2C#N)C[C@H]1c1cnn(C)c1 585655558 YVEMBKBPCXPIMD-OALUTQOASA-N 354.454 2.423 30 40 FEEB C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 13581733 JWWRDJVPJPKBCM-UHFFFAOYSA-N 374.462 2.132 30 40 FEEB COC(=O)Nc1ccc(S(=O)(=O)O/N=C2/C=CC(=O)C=C2C)cc1 3095591 AOIJKDKKYCRKRF-VKAVYKQESA-N 350.352 2.011 30 40 FEEB CN(C)c1nccc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1 531485505 LBCVSCMBEPUGAH-UHFFFAOYSA-N 359.437 2.289 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 5271805 YOXNFYGTYFAVEN-IEDWGEEESA-N 352.481 2.431 30 40 FEEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@@H]3c2cccnc2)cc1 21775558 JOEZYRODWKXFMM-IFXJQAMLSA-N 374.404 2.492 30 40 FEEB Cc1cc(=O)n2c3ccccc3n(C[C@H](O)Cn3ccnc3C)c2c1C#N 2708655 VISFBHQSVARGBX-OAHLLOKOSA-N 361.405 2.000 30 40 FEEB CCOc1ccc(N(CCC#N)C(=O)CSc2nc(N)cc(N)n2)cc1 10991448 VYWNFALCUDRMFQ-UHFFFAOYSA-N 372.454 2.079 30 40 FEEB CCn1cc(C#N)c(=O)n(CCOc2ccc(Cl)cc2Cl)c1=O 10851439 ZFLXLJSRIWEMAB-UHFFFAOYSA-N 354.193 2.287 30 40 FEEB COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 2500665 ABRVHGVEXGVWMK-HNNXBMFYSA-N 372.421 2.199 30 40 FEEB COc1ccc(N2CCN(C(=O)CSc3ncccc3C#N)CC2)cc1 7052055 SJLMWFMFBFUWGW-UHFFFAOYSA-N 368.462 2.403 30 40 FEEB Cc1nc(SCC(=O)NCCN2CCCCCC2=O)c(C#N)c(C)c1C 79020216 FVHBKVAMZDBUTE-UHFFFAOYSA-N 374.510 2.489 30 40 FEEB C/C(=N\NC(=S)NNC(=S)N(C)c1ccccc1)c1ccccn1 5733593 YEYJNOULIUIAFD-LDADJPATSA-N 358.496 2.196 30 40 FEEB COC(=O)c1nc(O)c(C#N)c(C(=O)OC)c1C(=O)/C=C/c1ccccc1 16941899 SMXWYSHIDVJXPE-CMDGGOBGSA-N 366.329 2.128 30 40 FEEB N#CCCN(Cc1ccco1)C(=O)Cn1ncc(Cl)c(Cl)c1=O 31682817 MSIOUODTSNFXEZ-UHFFFAOYSA-N 355.181 2.086 30 40 FEEB CN(C)c1ccc(C#N)c(NS(=O)(=O)c2cc(C(=O)O)cs2)c1 79075783 WNBYQOSRPWGDGV-UHFFFAOYSA-N 351.409 2.185 30 40 FEEB C=CCN1/C(=N/C(=O)CCC2CCCC2)S[C@H]2CS(=O)(=O)C[C@@H]21 5325259 OCDMVFYOOZBOBV-QPRSIOOTSA-N 356.513 2.240 30 40 FEEB N#Cc1ccc(OC[C@@H](O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 14184133 CALJPGJNVKKBEU-AWEZNQCLSA-N 355.781 2.361 30 40 FEEB COc1cc2nc(CS/C(N)=N/C3CCCC3)[nH]c(=O)c2cc1OC 7286278 AYYNEHOJITYSMM-UHFFFAOYSA-N 362.455 2.431 30 40 FEEB O=[N+]([O-])c1cccc(-c2nc(/C=N/NN3CCOCC3)c3ccccn23)c1 7998450 MCGYABFSBWFWRQ-CPNJWEJPSA-N 366.381 2.080 30 40 FEEB NC(=S)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21 46084878 BNISHXQYGLEXGX-HKWRFOASSA-N 374.853 2.303 30 40 FEEB N#Cc1c(SCC(=O)Nc2nccs2)sc2c(O)cc(=O)[nH]c12 13119382 BBKMULMXGAODRE-UHFFFAOYSA-N 364.433 2.354 30 40 FEEB C=CCn1c(Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)n[nH]c1=S 24750816 PJVCZRBOVPNOPH-UHFFFAOYSA-N 374.451 2.115 30 40 FEEB COC(CN(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21)OC 61992825 VDNOZODENXPGDB-VEPVZFAASA-N 367.486 2.063 30 40 FEEB biogenic CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 101305987 PJCZQMMZVJADLU-LTUGMUNRSA-N 356.444 2.227 30 40 FEEB N#CC1(NC(=O)CNc2ccccc2C(=O)NCC(F)(F)F)CCCC1 11701964 NQDZUPGKYRHPDY-UHFFFAOYSA-N 368.359 2.343 30 40 FEEB N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1C[C@H]1CCCO1 225872003 NQVBRYRSXDMIJC-LJQANCHMSA-N 365.481 2.443 30 40 FEEB N#CCN1CCC2(CC1)CN(CCN1CCCC1)C(=O)c1ccccc12 96090531 KTLQCVDBZPMSDD-UHFFFAOYSA-N 352.482 2.095 30 40 FEEB NC(=S)N/N=C/c1c(SCc2ccccc2)nc2ccccn2c1=O 3093432 RMXIWSMJHXENMP-VXLYETTFSA-N 369.475 2.154 30 40 FEEB C=CCNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 3308944 BZZYDOLEQJXRRE-UHFFFAOYSA-N 355.423 2.376 30 40 FEEB NC(=O)C(C(=O)[C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)=C1SCCS1 51329866 HWIIMFWJKAWMBD-QWRGUYRKSA-N 350.421 2.444 30 40 FEEB O=C(CNC(=O)c1ccc(OC(F)F)cc1)NCC#Cc1ccccc1 12782176 DCMMKYZGFORNGA-UHFFFAOYSA-N 358.344 2.186 30 40 FEEB COc1cccc(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)c1 3429280 GFMQMXOJBLTWOY-UHFFFAOYSA-N 367.361 2.343 30 40 FEEB C(=N/n1c(N2CCOCC2)nc2ccccc21)\c1ccc2c(c1)OCO2 9434704 SKQWZKKIZGDLEY-UDWIEESQSA-N 350.378 2.484 30 40 FEEB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N 9515210 DYKWZWCMQBGIMK-SNVBAGLBSA-N 355.306 2.356 30 40 FEEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32634439 CEVWDVNFMIIIFP-BLCHQYFCSA-N 356.444 2.083 30 40 FEEB C#CCOc1c(OC)cc(Br)cc1[C@H]1N[C@H](C(=O)O)CS1 408815850 VHQXUMJIOQHIPR-GWCFXTLKSA-N 372.240 2.258 30 40 FEEB COc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)cc1F 125484256 CPNMDATXFBYKOO-KEDPEKRHSA-N 362.401 2.488 30 40 FEEB CC(C)(C)n1nnc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)n1 594248688 TZZBEFCPVWYHIO-HNNXBMFYSA-N 353.430 2.177 30 40 FEEB CCc1noc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 27107006 HQAZQNRYGBHZBP-UHFFFAOYSA-N 354.370 2.074 30 40 FEEB N#Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 12885108 AXUFKXIMPUJDCH-UHFFFAOYSA-N 360.373 2.446 30 40 FEEB C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3ccccc3n2)c1 9833814 QCTFRYXWQMOTGP-UHFFFAOYSA-N 365.414 2.399 30 40 FEEB Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccco1 13730521 BMFLJQJMGQCRIF-INIZCTEOSA-N 372.425 2.150 30 40 FEEB Cc1nnc(SCc2cc(=O)nc(/N=C(\N)Nc3ccccc3)[nH]2)s1 18251506 CEUDOIQOVHDHFX-UHFFFAOYSA-N 373.467 2.280 30 40 FEEB N/C(=N/Cc1c(F)c(F)cc(F)c1F)N1CCN(c2nccs2)CC1 95964290 JQYOJIYKXXEPQA-UHFFFAOYSA-N 373.379 2.336 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)Nc2ccc(Cl)cc2F)c1C#N 32776363 IMYNNAJTRKHNFP-UHFFFAOYSA-N 352.778 2.473 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 225478720 QGZKBOSKUWSQLV-INIZCTEOSA-N 361.405 2.373 30 40 FEEB CCOc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2OC)c1C#N 19152647 ONZXTAUWDMDVTD-UHFFFAOYSA-N 354.366 2.499 30 40 FEEB C=CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCC2)c1=N 100627857 PCEDCRUSFKVQKG-UHFFFAOYSA-N 363.421 2.160 30 40 FEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 7564442 WHUWHLHQIKJNMU-UHFFFAOYSA-N 366.329 2.307 30 40 FEEB COc1ccccc1[C@H](CNC[C@H](O)COc1ccc(C#N)cc1)N(C)C 23248960 PGGBLDARDSORPT-PXNSSMCTSA-N 369.465 2.199 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccccn2)cc1 13122780 YVFQGWLZSMAUIU-DYVFJYSZSA-N 352.390 2.349 30 40 FEEB COc1ccc(CN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)cc1OC 46084757 SZSLJULPSVJOMZ-VLGSPTGOSA-N 357.322 2.337 30 40 FEEB N#Cc1ccc(COCC2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc1 75156596 XMDNYQKCEBFKHJ-HXUWFJFHSA-N 371.481 2.082 30 40 FEEB CC(C)Cc1n[nH]c(/N=C(\O)C[C@@H]2NC(=O)c3ccccc3N=C2O)n1 97531622 BZUOFTJRONLGMS-LBPRGKRZSA-N 356.386 2.382 30 40 FEEB biogenic COCc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 48643044 XMOWUTCYFNCUKN-UHFFFAOYSA-N 374.418 2.411 30 40 FEEB CCn1cnc2c(N3CCN(c4ncc(C#N)cc4Cl)CC3)ncnc21 1888890404 VVCIMTAWIRAOTB-UHFFFAOYSA-N 368.832 2.093 30 40 FEEB C#CCn1/c(=N\C(=O)c2cc(C)no2)sc2c(OC)ccc(OC)c21 101135187 BAECZPZLXNTYAR-ISLYRVAYSA-N 357.391 2.391 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O 3015949 OFIPUDCYCHBWBT-UHFFFAOYSA-N 365.437 2.241 30 40 FEEB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCSC[C@H]1C#N)CC2 95460638 UWLKMEKEYJBXDA-GHMZBOCLSA-N 370.400 2.376 30 40 FEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(CN2CCCCC2)o1 409142144 BPNSSLVLLOMRJM-OQDYNDGYSA-N 353.422 2.407 30 40 FEEB C=CCOc1cccc([C@@H](CC(=O)OCC)c2oc(CO)cc(=O)c2O)c1 71280170 UDXPWFBTTQKQDE-MRXNPFEDSA-N 374.389 2.488 30 40 FEEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@H]2c1ccc(OCC#N)cc1 5705818 RSFHWMCWKGNFFU-HNNXBMFYSA-N 367.405 2.002 30 40 FEEB CC(=O)NCc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)cc1 50204754 TVGWHUDAGJHVEY-UHFFFAOYSA-N 374.418 2.046 30 40 FEEB N=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N[N+](=O)[O-] 3087806 DXQDJGYAIATYHL-GIDUJCDVSA-N 352.694 2.148 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)ccc1O 100231817 YTDUBYPQQWZWGR-NCUUVHBZSA-N 352.390 2.178 30 40 FEEB COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccncc1 13123931 FYOSUHNTCAYXQF-KRWDZBQOSA-N 368.389 2.315 30 40 FEEB O=C(O)c1ccc(-n2cccc2C=Nn2c(O)nc3ccccc3c2=O)cc1 409349365 QIFMVATWPXPPDX-UHFFFAOYSA-N 374.356 2.473 30 40 FEEB N#Cc1ncccc1N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888890460 WPDOVTLLYHMZNL-CYBMUJFWSA-N 361.409 2.174 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)Cc3noc4ccccc34)C[C@H]2C)C1=O 1614935772 STKPTBWYLPLXPR-JLTOFOAXSA-N 353.422 2.253 30 40 FEEB C=CCc1ccc(OC[C@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 100702705 MWXOMWPIJCKDRI-ZACQAIPSSA-N 371.433 2.115 30 40 FEEB COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2cccc(OC)c2)NC(=O)N1 101421074 GUMQTMFCHOHUCK-MRXNPFEDSA-N 366.373 2.359 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)Cc1cc2ccccc2[nH]c1=O 53469381 CBFMUYDCCRWMRN-UHFFFAOYSA-N 364.380 2.310 30 40 FEEB N#Cc1ccc(COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)c(F)c1 11460548 XJJNCPDOBCNVTN-UHFFFAOYSA-N 368.773 2.355 30 40 FEEB C=CCOc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cccc1OC 409408520 YDBWCEBGCVYUDV-MGBSGCIJSA-N 352.390 2.401 30 40 FEEB N#Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408537856 XSGJDVJGJWKGHH-LBPRGKRZSA-N 350.309 2.299 30 40 FEEB NC(=S)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21 46084833 PCKDNERKBOXKTI-HKWRFOASSA-N 374.853 2.303 30 40 FEEB CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)[C@H](C#N)C(=O)OCC 1758795 RKEGILHUIYDUHE-LSDHHAIUSA-N 361.394 2.215 30 40 FEEB C#CCNC(=O)[C@H](C)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 56170875 NSXSOOLWQFDYTF-INIZCTEOSA-N 356.470 2.051 30 40 FEEB C[C@H]1CN(Cc2ccc(C(=O)N3CCSC[C@H]3C#N)cc2)C[C@@H](C)O1 108162762 PAURRBJAQBJUQW-RVKKMQEKSA-N 359.495 2.377 30 40 FEEB Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)n1 48250605 VGCDZHBYJRURQH-UHFFFAOYSA-N 351.410 2.398 30 40 FEEB C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 84637513 WVIOVIDRPOJEJJ-WMLDXEAASA-N 367.371 2.428 30 40 FEEB COC(=O)c1cccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)c1 5182911 HTROZJKWCNEAOL-UHFFFAOYSA-N 362.389 2.375 30 40 FEEB O=C1OC2(C(=O)c3ccccc3C2=O)C(C(=O)c2ccc(F)cc2)=C1O 5491504 UHEDJNUZOWAABB-UHFFFAOYSA-N 352.273 2.195 30 40 FEEB CC/N=C1/S[C@@H](CC(=O)Nc2sccc2C(=O)OC)C(=O)N1CC 14730249 CGLJKNYQMIFTHA-OGNJIVFWSA-N 369.468 2.203 30 40 FEEB CCN(C[C@@H](C)C#N)C(=O)CCCN(C)S(=O)(=O)c1cccs1 56410669 MPPAZHCILQUZOA-ZDUSSCGKSA-N 357.501 2.157 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)cc1OC 48492468 LPJUTYBSOPNUQQ-UHFFFAOYSA-N 363.391 2.332 30 40 FEEB CC(C)C(=O)N1CC[C@H](NC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 95453904 ZLXAPYWZAQYEGK-STQMWFEESA-N 356.451 2.277 30 40 FEEB N#C[C@H](C1=NC(=O)CS1)C(c1ccccc1)[C@H](C#N)C1=NC(=O)CS1 39251325 LDMBLUGOFPMASN-RYUDHWBXSA-N 368.443 2.394 30 40 FEEB N=C1S/C(=C\c2ccc(OCC(N)=O)cc2)C(=O)[C@@H]1c1nccs1 33793106 DCAINOSDQKSXAQ-YKWRUIJSSA-N 359.432 2.425 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)c1cc(=O)[nH]c2ccccc12 47332800 YLJXKRNRWMBJAW-UHFFFAOYSA-N 350.353 2.381 30 40 FEEB COc1cc(C)c(S(=O)(=O)Nc2nn(C(C)C)cc2C#N)cc1OC 79103035 ZNYMWKWULXTCOO-UHFFFAOYSA-N 364.427 2.462 30 40 FEEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C(C(=O)OC)=C(C)N2 4292275 GTHNEOOWZXFFLW-ZDUSSCGKSA-N 370.434 2.447 30 40 FEEB CCCCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)n[nH]c1=O 14116909 SEWIZAUBPKTNGO-SNVBAGLBSA-N 351.457 2.105 30 40 FEEB O=C(O)CCNC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O 6659696 XAOMXGQFJANOQY-DHDCSXOGSA-N 373.386 2.334 30 40 FEEB N#Cc1ccsc1C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005254 MQLYLIIUFBABBJ-AWEZNQCLSA-N 367.496 2.086 30 40 FEEB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sccc3C#N)C2=O)cc1 14677349 HJHHKVFTMJOVBA-GOSISDBHSA-N 368.418 2.334 30 40 FEEB Cc1ncnc(OC[C@@]23CCC[C@@H]2CN(c2nccc(C#N)n2)C3)c1C 1888864164 DWKVNOOOYRDOOW-BEFAXECRSA-N 350.426 2.441 30 40 FEEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccccc1C(=O)O 100149488 JWRBFFSZTUUWBN-XDJHFCHBSA-N 367.321 2.484 30 40 FEEB C[C@]12CN(/N=C/c3ccc4c(c3)OCCO4)[C@]3(C(N)=O)C[C@@H]1CC[C@]23C 100920503 HYDLBECAYASHLH-AGYMPFLZSA-N 355.438 2.158 30 40 FEEB CN(C)[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 58283405 RTPMDRDFXPWQGY-IBGZPJMESA-N 363.465 2.295 30 40 FEEB Cc1ccc(/C(O)=N/S(=O)(=O)c2cccs2)cc1S(C)(=O)=O 48450143 COFOSCBFVRXTKU-UHFFFAOYSA-N 359.450 2.154 30 40 FEEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccsc1C(=O)OC 48513677 PPUVQTGACPEDPR-UHFFFAOYSA-N 369.420 2.375 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 3535167 SINZYLZIVAQGNC-OAHLLOKOSA-N 353.762 2.459 30 40 FEEB C=C(C)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(OC)c1 9060796 TYKIVYPNTCCXPB-GJZGRUSLSA-N 352.481 2.346 30 40 FEEB COC1(CNC(=O)C(=O)Nc2ccccc2C#N)C2CC3CC(C2)CC1C3 96123911 GRIKOQFFIKJABD-UHFFFAOYSA-N 367.449 2.454 30 40 FEEB CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)O)cc2)[C@H]1c1cccnc1 4574902 IFHXSEWEQBTMCF-KRWDZBQOSA-N 368.345 2.034 30 40 FEEB N#Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)sc2c1CCC2 77551783 MEINUCWGJDDIQA-LBPRGKRZSA-N 366.446 2.491 30 40 FEEB C=C(C)Cn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 633024 IKRFGXFSCITENU-UHFFFAOYSA-N 356.451 2.334 30 40 FEEB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 58201665 HKUXOTWOSTUBNQ-ZIAGYGMSSA-N 351.472 2.385 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1 20231931 AZBNLUIWMKREJL-KRWDZBQOSA-N 369.396 2.361 30 40 FEEB C=CCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O 40158923 WEJZVAGQAYIAJY-ZIAGYGMSSA-N 373.478 2.358 30 40 FEEB CCN(CC)C[C@@H](C(=O)Nc1c(C)cccc1C)/C(C)=N/NC(N)=S 16957727 XHWUYFYYKFGRCQ-HFITWMCCSA-N 363.531 2.409 30 40 FEEB C=CCNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 4498540 HXQNNEWSPNYPRU-UHFFFAOYSA-N 350.484 2.315 30 40 FEEB CC(=O)c1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 6809436 HXVUMGWCLIDMIM-UHFFFAOYSA-N 370.368 2.381 30 40 FEEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 7737343 LJHTWMGIXUFPMW-UHFFFAOYSA-N 352.350 2.144 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4cc(C)cc(C)c4)c(C)cn23)n(C)c1=O 4250578 HDSATXALBKBFLF-UHFFFAOYSA-N 363.421 2.250 30 40 FEEB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 58215394 ALEMTQXHWQVQHS-OXQOHEQNSA-N 368.437 2.116 30 40 FEEB C=CCc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(OC)c1O 16742292 STPRZCXNTFVIFQ-GHXNOFRVSA-N 365.432 2.415 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 16976407 WUIZIYNOYRKALG-OAHLLOKOSA-N 354.318 2.469 30 40 FEEB COc1ccc(C/C(N)=N/OC(=O)c2cc(OC)c3c(c2)OCO3)cc1 85408773 PEKRFKUGZGIWHN-UHFFFAOYSA-N 358.350 2.104 30 40 FEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccnc(F)c4)C3)CC2=O)cc1 585101624 YHOQXBHFRLBKEF-FQEVSTJZSA-N 364.380 2.362 30 40 FEEB N#Cc1ccc(COC(=O)CCNS(=O)(=O)c2cccs2)c(F)c1 11393685 DKOMXRAJACXDBZ-UHFFFAOYSA-N 368.411 2.171 30 40 FEEB Cc1c(C#N)c(NC(=O)CN2CCC[C@H](O)C2)n(Cc2ccccc2)c1C 32797154 JFUOQLPKFYLHCZ-SFHVURJKSA-N 366.465 2.420 30 40 FEEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1 8735031 MVXCZOHFESKUED-UHFFFAOYSA-N 373.434 2.362 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccncc1 4312211 UGXIILQOJHPHIT-HVESIFNPSA-N 351.406 2.065 30 40 FEEB O=C(/C=C1/Nc2ccc([N+](=O)[O-])cc2N[C@H]1O)c1cccc([N+](=O)[O-])c1 95550079 KMUNZQOCLSFPQQ-SBNBMVPLSA-N 356.294 2.426 30 40 FEEB CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Br)cc1 100972822 FMWRVFBGJUWHCW-ACCUITESSA-N 363.258 2.089 30 40 FEEB CN(CCOc1ccc(C#N)cc1)S(=O)(=O)Cc1ccccc1C#N 32903141 LAIPOVWMDXMSNY-UHFFFAOYSA-N 355.419 2.271 30 40 FEEB CC/N=C1\S/C(=C\c2cn(CC(N)=O)c3ccccc23)C(=O)N1CC 106450883 KOGCDEPMDXBXBA-NGDANQHJSA-N 356.451 2.439 30 40 FEEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccc(OC)cc2)s1 27664208 TWPHUMDHVKTGFP-UHFFFAOYSA-N 371.440 2.397 30 40 FEEB N#Cc1ccccc1OCC(=O)NCC1(N2CCOCC2)CCCCC1 14196763 KAXAGRDNJUSIRR-UHFFFAOYSA-N 357.454 2.088 30 40 FEEB CCc1ccsc1/C(O)=N/S(=O)(=O)c1cccc(S(C)(=O)=O)c1 66517359 XXPFZZQCJBXCMT-UHFFFAOYSA-N 373.477 2.408 30 40 FEEB C=CCOc1c(Br)cc(CNCCNC[C@@H](C)O)cc1OC 22076664 YYHJOBCKFLQTJL-GFCCVEGCSA-N 373.291 2.083 30 40 FEEB C#CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 20503946 IZMBQNJNMSGNBU-JENIJYKNSA-N 356.539 2.248 30 40 FEEB biogenic,in-vitro C=C(C)C[C@@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 2145745 PQWSQJPHBKAWTP-BWZHCXAASA-N 353.418 2.431 30 40 FEEB biogenic COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1O[C@H](C)C(=O)O 409232919 JBQPLLIKIZPOJZ-NCMFSIOGSA-N 360.326 2.296 30 40 FEEB CCc1nnc(N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)n1N 16162593 YGXUIIQZRNHCNG-GIJQJNRQSA-N 371.357 2.177 30 40 FEEB C=CCNC(=O)CN1CCN(Cc2cc3ccccc3nc2Cl)CC1 22384942 JCYNUXQXXXOWJT-UHFFFAOYSA-N 358.873 2.308 30 40 FEEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(CC)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908881 QAXDOHCZUUIXCB-KNBMTAEXSA-N 356.422 2.462 30 40 FEEB COCC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1 7882750 OTEZQECXZSBBLR-HNNXBMFYSA-N 357.435 2.402 30 40 FEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nc(-c3ccco3)no2)C1=O 24834429 KZZUKBBXUCEUTE-GOSISDBHSA-N 363.333 2.168 30 40 FEEB Cc1cc(C)c(C#N)c(SCC(=O)NCc2nnc3ccccn23)n1 12543445 FTNCBXSFDNKISZ-UHFFFAOYSA-N 352.423 2.021 30 40 FEEB CCOC(=O)c1c(NC(=O)Cn2cnc(C#N)n2)sc2c1CC[C@@H](C)C2 12791894 UHZWOEYVXFMYKA-SNVBAGLBSA-N 373.438 2.151 30 40 FEEB CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)Cc1ccccc1 65975216 XZKJBXGFGNJYJR-UHFFFAOYSA-N 357.479 2.452 30 40 FEEB Cc1cccc2cc(C#N)c(NCCNC(=S)NC[C@@H]3CCCO3)nc12 35290868 MWCMSOPDVQVFFZ-INIZCTEOSA-N 369.494 2.470 30 40 FEEB Cc1ccc(C)c(S(=O)(=O)NCC#CCOc2ccc3c(c2)OCO3)c1 90730989 HJZKDQVSXXKQGK-UHFFFAOYSA-N 373.430 2.393 30 40 FEEB CCN(CC)C(=O)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N 32716148 WNBMNHBOZDRLJG-UHFFFAOYSA-N 360.483 2.493 30 40 FEEB O=C1/C(=N\c2ccc([N+](=O)[O-])cc2)c2ccccc2N1CN1CCOCC1 22000835 FTNOECLBYYRFGY-ZZEZOPTASA-N 366.377 2.352 30 40 FEEB C=CC[N+](CC)(CC)CCNC(=O)c1c(O)n(C)c2ccccc2c1=O 6821536 OLEVYXZERUUCOZ-UHFFFAOYSA-O 358.462 2.017 30 40 FEEB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)c1C 23274105 WWZIRQSEPCTLHQ-SNVBAGLBSA-N 373.438 2.416 30 40 FEEB COC(=O)[C@H](C)CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 106176856 GSPTWXMEHZSEDY-FOIQADDNSA-N 357.454 2.106 30 40 FEEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1 5408701 AARFFRYCQKMCNU-HVESIFNPSA-N 370.405 2.272 30 40 FEEB Cc1ccc(N(CCC#N)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1C 31672414 UYLINZAZCZDDLK-UHFFFAOYSA-N 354.366 2.320 30 40 FEEB CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCO[C@@H](C#N)C1 282781281 FDLPHQNUZJPQQD-ROUUACIJSA-N 356.470 2.221 30 40 FEEB COCC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1 12222502 UJZFHORCXSCWMW-UHFFFAOYSA-N 355.438 2.247 30 40 FEEB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC#N)c(OCC)c1 16688894 FCRSBXKSZQLHKX-INIZCTEOSA-N 359.382 2.179 30 40 FEEB N#Cc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 3600709 JCOXATOVTMSKJK-OAQYLSRUSA-N 374.400 2.280 30 40 FEEB C/N=C1/S[C@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1C 100865698 GZDXQLGJOMHQAV-XCHVRBFASA-N 362.480 2.387 30 40 FEEB O=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)NCc1ccccc1 8517083 CEPDXITZCWLMDR-INIZCTEOSA-N 353.447 2.481 30 40 FEEB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc(C#N)c1 23617058 JRAAVMWHIQHGCO-UHFFFAOYSA-N 365.361 2.241 30 40 FEEB COc1ccc(C(=O)Oc2cc(/C=N/NC(N)=S)ccc2OC)cc1 13470915 RYQZPSFCFDJCQK-VXLYETTFSA-N 359.407 2.090 30 40 FEEB O=[N+]([O-])c1ccc(N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc1 408912429 QSLRTNIQVHMDTM-ZDLGFXPLSA-N 372.341 2.181 30 40 FEEB N#Cc1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 14184127 JSQNWRMITZILSL-ZDUSSCGKSA-N 367.430 2.258 30 40 FEEB C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)NC1=S 4674926 VTZVHPVLXBTBMZ-RAXLEYEMSA-N 359.426 2.239 30 40 FEEB Cc1c(NS(=O)(=O)c2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C 7052122 IHCSHYIZRBGVEN-UHFFFAOYSA-N 368.418 2.157 30 40 FEEB CCS(=O)(=O)C1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 333710928 PVNYVTQNFXXEMQ-UHFFFAOYSA-N 358.467 2.107 30 40 FEEB CCc1nc(S(=O)(=O)N2CCCc3nc(C#N)ccc32)cn1CC1CC1 596042453 VRVXULKJSGYWDW-UHFFFAOYSA-N 371.466 2.264 30 40 FEEB C=CCNC(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 11484327 BSFGVXBHSYOLFK-UHFFFAOYSA-N 361.471 2.304 30 40 FEEB OC(Cc1cccc(/C=N\N2CCOCC2)n1)(C(F)(F)F)C(F)(F)F 16981565 NAWRGZYZMYBKPF-NKVSQWTQSA-N 371.281 2.146 30 40 FEEB Cc1cc2n(CC(=O)Nc3cccc(C#N)c3)c(=O)c3ccccc3n2n1 32836375 AVSZSQSWFMDFQG-UHFFFAOYSA-N 357.373 2.468 30 40 FEEB C=CCn1c(N/N=C(/C)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 4713318 RJTUWUOICOCBRS-FBHDLOMBSA-N 372.816 2.099 30 40 FEEB Cc1csc(C/C(N)=N/OCC(=O)N[C@@H]2CCCc3ccccc32)n1 54390711 AOZVVBXDOMWILQ-OAHLLOKOSA-N 358.467 2.477 30 40 FEEB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3CCC#N)CC2=O)cc1 57986582 FKWJIFAGQPVWEO-OAHLLOKOSA-N 351.410 2.405 30 40 FEEB Cc1ccc(-n2nnnc2SC[C@H](O)COc2ccc(C#N)cc2)cc1 10079854 BIFUALXGSPZXOE-MRXNPFEDSA-N 367.434 2.374 30 40 FEEB CC(C)Cc1noc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)n1 58279465 NCKCPRLVGMINKA-GOSISDBHSA-N 353.382 2.107 30 40 FEEB C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@@H](C)CO)c(=O)oc2c1 12895560 XHIAXAUJGSOCLI-ZDUSSCGKSA-N 359.422 2.486 30 40 FEEB biogenic C=CCn1c(C)cc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1C 3542840 HGWWSLPXWWVXPD-UHFFFAOYSA-N 367.409 2.385 30 40 FEEB CC(=O)c1cccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)c1 6809435 HEAWESCWRTVYPO-UHFFFAOYSA-N 370.368 2.381 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 408724739 HEKMWLKACLSICE-CXXHSERASA-N 351.362 2.434 30 40 FEEB NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1c1ccc(Cl)cc1 5130537 BDMQYNIBEPKJBI-UHFFFAOYSA-N 352.781 2.293 30 40 FEEB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)/C=C\c1ccccc1 5554842 ZUCITBSZCUEOLI-HJWRWDBZSA-N 358.375 2.235 30 40 FEEB COc1ccc(-n2c(=O)c(CCC(=O)OCC#N)nc3ccccc32)cc1 4350335 LEAJBPIXDDDLPB-UHFFFAOYSA-N 363.373 2.394 30 40 FEEB CC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)(C)C)[C@@]12C(=O)Nc1ccccc12 2273464 SYRVHWZFSQSXBC-FQEVSTJZSA-N 370.405 2.282 30 40 FEEB N#C/C(C(N)=O)=c1/ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@]31N=2 4764914 OHWJDSSZXTZAES-KMSJPITGSA-N 360.461 2.404 30 40 FEEB Cc1nn(CC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c(=O)c(C#N)c1C 7442102 XVEFBTNMCXMHJQ-INIZCTEOSA-N 368.437 2.212 30 40 FEEB C/N=C1\S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C 12631442 SIXQCTGDOVKUFL-ZSNVJIKNSA-N 356.245 2.337 30 40 FEEB N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 12912491 ZYPOZWVOZYWKKO-OAHLLOKOSA-N 353.407 2.127 30 40 FEEB Cc1ccc([N+](=O)[O-])cc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 16742332 DITIOFUACMTFIC-UHFFFAOYSA-N 373.328 2.087 30 40 FEEB Cc1nc(-c2cc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)n(C)c2)cs1 84274958 YLLZLKOIACONIX-SFHVURJKSA-N 372.450 2.422 30 40 FEEB N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCN(c4ccccc4)C3)C2)nc1 562725355 RXXCJFNRKKFYLH-MJGOQNOKSA-N 362.433 2.459 30 40 FEEB Cc1nc(CN2CCCN(C(=O)Nc3ccnc(C#N)c3)CC2)cs1 603129481 MKUAYUCVUTYZJS-UHFFFAOYSA-N 356.455 2.458 30 40 FEEB CC1(C)OB(c2cccc(NS(=O)(=O)C(F)(F)F)c2)OC1(C)C 1772718399 RBFSYFCTXISCML-UHFFFAOYSA-N 351.155 2.247 30 40 FEEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl)C1CC1 5246960 BTWVNBYAMZDJAU-OJVXUPTESA-N 370.883 2.351 30 40 FEEB COc1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)c(OC)c1 5625605 JLUXQXRBANZGHR-GIJQJNRQSA-N 370.438 2.345 30 40 FEEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C(N)N)cc1OC 6373170 UAJVAORBEDZLAX-SSDVNMTOSA-N 364.409 2.164 30 40 FEEB O=S(=O)(c1ccc(N/N=C/c2ccc(O)cc2)nc1)N1CCCCC1 6510045 NUEWZJNAUZPOQY-XDHOZWIPSA-N 360.439 2.408 30 40 FEEB N#Cc1ccccc1CSCCNC(=O)CCNC(=O)c1ccco1 14086758 ILLQAJUVOBZVTD-UHFFFAOYSA-N 357.435 2.321 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 16741066 GRNAJNAVFGVJJQ-MPOGACDISA-N 366.508 2.126 30 40 FEEB CC(C)c1n[nH]c(/N=C(\O)CNC(=O)N2CCN(c3ccccc3)CC2)n1 72401514 YEBGCZALJCJRAB-UHFFFAOYSA-N 371.445 2.048 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)ccc1O 222313213 YTDUBYPQQWZWGR-HHSRIZHSSA-N 352.390 2.178 30 40 FEEB N#Cc1ccc(C(=O)N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)[nH]1 1775960298 DJYCHCMPJBJAAC-OAHLLOKOSA-N 365.315 2.493 30 40 FEEB N#Cc1ccccc1-c1ccc(COC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 23459632 VKBQWYRALNDFFO-KRWDZBQOSA-N 363.373 2.257 30 40 FEEB C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)N(C)C 55253766 PZVYAGYMRZMZLO-AWEZNQCLSA-N 351.406 2.344 30 40 FEEB C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)N1CCc2sccc2C1 26839753 SBLSEXDWJLXGDH-ZDUSSCGKSA-N 361.492 2.345 30 40 FEEB C#Cc1cccc(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C(F)(F)F)c1 13014451 BQZSZZIVGKNNAU-UHFFFAOYSA-N 373.294 2.208 30 40 FEEB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(F)c1 8746368 BDCKJQOPIXPVFL-QGZVFWFLSA-N 370.409 2.499 30 40 FEEB N#Cc1ccc(COC(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 32873889 VWHTYHRHPMIAFB-UHFFFAOYSA-N 364.405 2.012 30 40 FEEB CC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)(C)C)[C@]12C(=O)Nc1ccccc12 2273463 SYRVHWZFSQSXBC-HXUWFJFHSA-N 370.405 2.282 30 40 FEEB O=C1Nc2cc([N+](=O)[O-])ccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100506328 FOMREYKVCSXSAW-UHFFFAOYSA-N 372.253 2.180 30 40 FEEB N#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408913097 SMBMARDNQJUUTC-MHWRWJLKSA-N 365.320 2.394 30 40 FEEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 408534177 LPKMPYSSBQQYGO-MRXNPFEDSA-N 367.361 2.305 30 40 FEEB N#Cc1ccc(Br)c(CN2CCS(=O)(=O)C[C@H]2C2CC2)c1 333108311 RNOHBKCXQRWGQM-HNNXBMFYSA-N 369.284 2.330 30 40 FEEB C/C(=N/NC(=S)N1CCN(Cc2ccccc2)CC1)c1ccccn1 5503053 ROPXVKRXIUKKFN-PGMHBOJBSA-N 353.495 2.498 30 40 FEEB CC1(C)OB(c2cccc(C(=O)NCCN3CCCCC3)c2)OC1(C)C 2199700067 IZXISENDAGEQHD-UHFFFAOYSA-N 358.291 2.202 30 40 FEEB C=CCc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1 100702708 MWXOMWPIJCKDRI-YESZJQIVSA-N 371.433 2.115 30 40 FEEB C=CCn1c(C)nnc1S[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 32986282 UZAKPZVXIXILPX-SNVBAGLBSA-N 358.423 2.467 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccc(OC)c1 102721234 BQIGIPOAPYFNQW-UYTDBDHRSA-N 357.362 2.356 30 40 FEEB CC(C)(C)c1nnc(N/N=C/c2c(Cl)cccc2Cl)n(N)c1=O 6615462 VKGDBDJDVPSAHB-CNHKJKLMSA-N 355.229 2.402 30 40 FEEB NS(=O)(=O)c1ccc(N/N=C2/CCCc3ccccc32)c([N+](=O)[O-])c1 12548734 XFWCPIOMCDKBAE-JXAWBTAJSA-N 360.395 2.395 30 40 FEEB C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1cccnc1 14110400 FZOKIELHEFAYAV-UHFFFAOYSA-N 359.440 2.108 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 65674712 CFCUVQQJLWWLBR-KGLIPLIRSA-N 358.486 2.033 30 40 FEEB N#CC1(C(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)CC1 225992185 MPJVBGZSBHBKFB-GOSISDBHSA-N 361.401 2.401 30 40 FEEB Cc1cccc(CN2C[C@@H]3COC[C@]3(COc3ccc(C#N)cn3)C2)n1 96109099 GEFRMVMSIOSMAG-XLIONFOSSA-N 350.422 2.184 30 40 FEEB CN(C)c1ccc([C@@H]2CCCN2C(=O)COc2ccccc2C#N)nn1 591657421 AKTKILQIGXRRCH-INIZCTEOSA-N 351.410 2.157 30 40 FEEB N#Cc1cc2ccccc2nc1N1CCC(NS(=O)(=O)C2CC2)CC1 1889136247 KSALSVDQCUVQDW-UHFFFAOYSA-N 356.451 2.157 30 40 FEEB C=CCSc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1 21584603 OHSIPRFDVMUHGV-UHFFFAOYSA-N 370.481 2.440 30 40 FEEB C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN(c2ncccn2)C1 58342079 SLKSKASGCBSUIV-KRWDZBQOSA-N 352.413 2.494 30 40 FEEB C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(CC)cc1 4278885 SEJPSNHHMNRQKB-OAHLLOKOSA-N 367.405 2.186 30 40 FEEB N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cc3ccccc3[nH]2)cc1 65488061 JQDACMAJQHSJBP-UHFFFAOYSA-N 367.430 2.271 30 40 FEEB COc1ccc(N/C(C[N+](=O)[O-])=N\N/C=C2\OC(=O)c3ccccc32)cc1 4656693 PFXNTASTNNYCAL-YBEGLDIGSA-N 368.349 2.456 30 40 FEEB COCc1cc(C)n(CC(=O)Nc2nc3ccccc3s2)c(=O)c1C#N 409412117 RRFFFDXZVUFAGN-UHFFFAOYSA-N 368.418 2.423 30 40 FEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1cccc([N+](=O)[O-])c1 408536016 PNARABSGHBQDOY-LBPRGKRZSA-N 370.296 2.335 30 40 FEEB C=CCNC(=O)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 4898094 VXBHINQWEUTQRW-UHFFFAOYSA-N 362.437 2.310 30 40 FEEB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O 5167777 FFFNBMIHHZUHKH-KRWDZBQOSA-N 374.828 2.060 30 40 FEEB CCOC(=O)c1ccc[n+](CC(=O)Nc2ccccc2OC(F)F)c1 5261896 WLPCFCKLSJEYPZ-UHFFFAOYSA-O 351.329 2.391 30 40 FEEB CN1CCN(c2nc(Nc3ccccc3)c3c(c2C#N)CCN(C)C3)CC1 6672746 MKVXGYUNGMDELL-UHFFFAOYSA-N 362.481 2.437 30 40 FEEB COc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408742672 XRHNSVGILGREQA-SKCQWOFPSA-N 353.403 2.462 30 40 FEEB O=[N+]([O-])c1cccc(/C=N\NC(=S)N/N=C/c2cccc([N+](=O)[O-])c2)c1 33737363 OBVRGSYPWFPNQE-ZAGBYUSBSA-N 372.366 2.335 30 40 FEEB C[C@H](c1cccc(Cl)c1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 602053289 BDDUTCZFKDXGTO-LLVKDONJSA-N 360.801 2.084 30 40 FEEB C=C(C)C[C@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4028913 BMKMRTFBOUSADG-GFAJBQDWSA-N 355.390 2.401 30 40 FEEB biogenic CS(=O)(=O)N(Cc1ccc(C(=O)NCCS)cc1)c1ccccc1 408727942 SKYFURIFGUKQGK-UHFFFAOYSA-N 364.492 2.312 30 40 FEEB N#Cc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 22384151 QAOXPIADWYSBQV-UHFFFAOYSA-N 364.405 2.081 30 40 FEEB C=CCNC(=O)NC(=O)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 32825541 WEIYWUNTQMOOCG-UHFFFAOYSA-N 357.454 2.210 30 40 FEEB C#CCN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]2(C)NC(=O)c2ccccc21 72341889 PUQHZQKTXNDJCL-CVDCTZTESA-N 373.456 2.287 30 40 FEEB CCOC(=O)C(=NNC1=C(C)[C@@H](C)[C@H](c2ccccc2)C1=O)C(=O)OCC 1554503572 NZWQMTSDGMDDKG-IUODEOHRSA-N 372.421 2.335 30 40 FEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cc(C#N)n(C)c2C)nc1 8128732 MEVORAHQXZRIFW-RGVLZGJSSA-N 374.470 2.077 30 40 FEEB N#Cc1cccc(NC(=O)CN2CCc3[nH]c4ccccc4c(=O)c3C2)c1 49003124 RCIFRTLVXLJZQZ-UHFFFAOYSA-N 358.401 2.397 30 40 FEEB CCOc1ccc(-n2nc3c(-n4ncc(C#N)c4N)nnc(C)c3c2C)cc1 642644 ZGFNZYZWTBROFS-UHFFFAOYSA-N 374.408 2.471 30 40 FEEB CC1CCN(C(=O)[C@@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 23258292 TZAKIDANAUDNMU-GOSISDBHSA-N 354.498 2.323 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 24536186 JKMJRHODEJCSRB-GOSISDBHSA-N 365.433 2.336 30 40 FEEB CC(C)Oc1ncc(C(=O)NCC2CCN(CC#N)CC2)cc1Cl 76042069 DWVJOTQQFYTEBQ-UHFFFAOYSA-N 350.850 2.488 30 40 FEEB Cc1nc2ncnn2c(C)c1CC/C(O)=N/c1cccc(-c2nnn[nH]2)c1 38599687 LPNXCFZFROUZSP-UHFFFAOYSA-N 363.385 2.142 30 40 FEEB C=CCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24981637 HEBLPXLKTWWNQV-AWEZNQCLSA-N 358.438 2.043 30 40 FEEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)c1OC(C)C 12948043 GNGDMGILUJYTAB-MRXNPFEDSA-N 355.398 2.491 30 40 FEEB Cc1nc2ccc(N3CCN(c4nc5c(cc4C#N)CCC5)CC3)nn2c1C 2087043857 RKMRKWNEDIJNGU-UHFFFAOYSA-N 373.464 2.428 30 40 FEEB COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ncn[nH]3)N(C)C1=O)S2 100496614 REJFDPRKXHYFOJ-JYYXDRQQSA-N 374.451 2.417 30 40 FEEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N/CCCN2CCOCC2)c1 4614575 UBASJSGUIHVLHC-MHWRWJLKSA-N 372.219 2.204 30 40 FEEB COCCNC(=S)NCCNc1nc2cc(C)cc(C)c2cc1C#N 35292290 KSAKTLUJNNIZNE-UHFFFAOYSA-N 357.483 2.246 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 6610783 YWTZCPOWSZIYST-FQEVSTJZSA-N 371.437 2.020 30 40 FEEB N#Cc1ccc(N2CCC(C(=O)Nc3nc4n(n3)CCCC4)CC2)c(F)c1 580409437 KOEMFEAVGQMBCW-UHFFFAOYSA-N 368.416 2.480 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 101318255 CVCNKGUARBFDBW-FZJVYVCZSA-N 352.481 2.315 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 101305981 PJCZQMMZVJADLU-YXEAAEFPSA-N 356.444 2.227 30 40 FEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N\Cc1ccccn1 408536424 RIRZDPZVCCZZIB-SAGYFLTASA-N 356.769 2.205 30 40 FEEB CC(C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@H](N)CO 6415568 ILLOYMPJYAVZKU-GOSISDBHSA-N 372.506 2.219 30 40 FEEB biogenic C[C@H]1CO[C@H]2C3=C(C(=O)C=CC3=O)[C@H]3OC(=O)[C@H]4CC[C@H]5[C@H]1CC[C@@]52[C@H]43 85776327 QCPDBEXGCHOIDE-NRSWVTRUSA-N 354.402 2.004 30 40 FEEB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC#N)cc2)cc1 13688597 SOKJLMZBTMVEFR-UHFFFAOYSA-N 357.435 2.320 30 40 FEEB O=[N+]([O-])c1cc(/C=N/NC(=S)N[C@@H]2CN3CCC2CC3)ccc1Cl 1657173 QAEPWEWYYUOSQG-QOSBVPTNSA-N 367.862 2.140 30 40 FEEB CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1C#N 16086160 JZMAOVXBUSRYAD-UHFFFAOYSA-N 357.435 2.380 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C)cc1 20027326 TZFIIGMSSXVQOJ-GOSISDBHSA-N 358.438 2.002 30 40 FEEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)c1 40267710 XFMBGJGRWHQGIN-KRWDZBQOSA-N 368.393 2.021 30 40 FEEB CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 3220591 APAVEHQFOVHKMH-MJBXVCDLSA-N 354.410 2.414 30 40 FEEB N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1N 24578248 BCHPILBLSYDFBT-UHFFFAOYSA-N 357.370 2.266 30 40 FEEB N#Cc1cccc(NC(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1 60358443 VLOAZUYLSWGNSV-UHFFFAOYSA-N 374.404 2.424 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N\[C@H]2C[C@H]3CC[C@H]2C3)C1=O 408537812 XJSHGUBCRVOOOU-XLKFJKRISA-N 355.394 2.154 30 40 FEEB N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(NC4CC4)nc3)C2=O)cc1 63988868 JZAZCJVKPNQFJJ-QGZVFWFLSA-N 362.389 2.490 30 40 FEEB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cccc(F)c2C#N)C1 95999576 DSRARCLEDKMJES-GFCCVEGCSA-N 357.389 2.389 30 40 FEEB COc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cn1 408766234 STBUTSVYEDNDMC-FVOVHSBVSA-N 368.418 2.165 30 40 FEEB Cn1nc(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccc21 566079883 BEUZRGIJLULXOQ-HNNXBMFYSA-N 361.405 2.062 30 40 FEEB N#Cc1cccnc1N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 585500936 SUNYVWRVFFDSIL-UHFFFAOYSA-N 372.432 2.489 30 40 FEEB O=S(=O)(/N=C(\O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccnc1 42322025 JFICOONTQWJAAJ-HNNXBMFYSA-N 362.407 2.333 30 40 FEEB N#Cc1ccc(OCC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24031811 VPWDCDXONBGHGS-FQEVSTJZSA-N 365.433 2.127 30 40 FEEB CCOC(=O)C1=C(C)O[C@](C)(/N=C(/C#N)C(=O)OC)[C@@H]1c1ccccc1 104272092 SIZIZLMFQYOYHY-APTOIRPBSA-N 356.378 2.491 30 40 FEEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 5339569 OZSZSGUEVGRGOZ-APSNUPSMSA-N 360.343 2.370 30 40 FEEB C/C(=N\Nc1cc(C)nc(N2CCOCC2)n1)c1cccc([N+](=O)[O-])c1 4860297 CIAIGDXNXOXGMD-DEDYPNTBSA-N 356.386 2.366 30 40 FEEB C#CCOc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OC 96193564 JSUHYPLZHJNMOO-UHFFFAOYSA-N 368.393 2.362 30 40 FEEB Cc1nc(C(=O)N[C@]23CCC[C@@H]2N(c2ncc(C#N)cc2F)CC3)co1 1775990953 INBFUHRDFQANTN-YJBOKZPZSA-N 355.373 2.320 30 40 FEEB C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CC)cc1 575420751 KGDNMPKDFPWLMX-INIZCTEOSA-N 357.497 2.003 30 40 FEEB Cn1cnc(CN2CCCC[C@@H]2c2cnc(Nc3ccc(C#N)nc3)cn2)c1 585294680 TXTMGFNIZYYGEY-LJQANCHMSA-N 374.452 2.948 30 40 FEEB CN1CCN(CC#CCOC2CCN(c3nc4ccccc4o3)CC2)CC1 1888921793 RNGNKOOEZQZBMF-UHFFFAOYSA-N 368.481 2.064 30 40 FEEB CSc1ncc(C#N)c(N2CC(Cn3cc(Br)cn3)C2)n1 1889091732 ACHFSIMVUZCZJJ-UHFFFAOYSA-N 365.260 2.166 30 40 FEEB CN(CCCNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 36397788 MDYCIGHCVGRDDX-UHFFFAOYSA-N 353.444 2.094 30 40 FEEB Cn1c(=O)n(C/C(O)=N/c2nc3ccc(Cl)cn3n2)c2ccccc21 84313952 VTDTWJNBUPZLNV-UHFFFAOYSA-N 356.773 2.324 30 40 FEEB CCN1/C(=C(/C)NC(=O)C(C)(C)C)C(=O)c2ccccc2S1(=O)=O 9305906 ZFURPUPRDBWFDA-KAMYIIQDSA-N 350.440 2.287 30 40 FEEB Cn1cccc1C(=O)N1CC[C@@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1 96218918 FZJQNVRSNWDUOZ-FXAWDEMLSA-N 350.422 2.382 30 40 FEEB C=CCN1C[C@@H]2CN(C(=O)c3csnn3)CC[C@]2(c2ccccc2)C1 96083269 XDLIRAXVOWNIIO-VQIMIIECSA-N 354.479 2.440 30 40 FEEB C#CC(C)(C)NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248230355 ABSFHWNDWNMKMP-WMGWYHAVSA-N 352.434 2.469 30 40 FEEB COc1ccc(/C(C)=N\NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 17148091 YASPKPYQUUOCES-UNOMPAQXSA-N 361.423 2.356 30 40 FEEB CC(C)CNC(=O)c1ncn2c1CN(C(=O)C1(C#N)CCCC1)CCC2 1565546470 CITQBOLIQQIZKD-UHFFFAOYSA-N 357.458 2.085 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)c(OC)c1 50205126 LPYNHTNGFSXRKB-UHFFFAOYSA-N 363.391 2.428 30 40 FEEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 101314325 UHPOVFFKKXOUGP-GGNAOWBESA-N 370.471 2.079 30 40 FEEB C=CCN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2s1 32788703 PFZGNIXSNKDELW-ZDUSSCGKSA-N 365.480 2.239 30 40 FEEB Cc1ccc(/C=N/N2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C2=O)o1 2150101 PFZLLSOPANBJJG-HXKDZRJHSA-N 362.389 2.199 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 11907152 MZQOWKNYSMRNTM-FNZKRBGKSA-N 362.835 2.100 30 40 FEEB C/C(NC(=O)Cc1ccccc1)=C1\C(=O)c2ccccc2S(=O)(=O)N1C 9184566 QHHNEUJGGAEJLW-AQTBWJFISA-N 370.430 2.094 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 5516352 UTIBLNXEZQIYCS-XJFZTKQQSA-N 352.481 2.315 30 40 FEEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\C[C@@H]3CCCO3)NC2=O)c(C)c1 7882652 RWKQZKHKTYGNDA-DZGCQCFKSA-N 361.467 2.399 30 40 FEEB O=C1CSC(=S)N1/N=C\c1ccc(I)cc1 5080388 CCASOFFILCPTKN-XGICHPGQSA-N 362.217 2.485 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 101310756 YFFFKJDGVICJRS-QLXQBBHQSA-N 352.481 2.315 30 40 FEEB Cc1nnc(N/N=C/c2ccc(O)cc2)nc1N/N=C/c1ccc(O)cc1 27994447 PXQKYXWSFOPXQZ-ROUMAOROSA-N 363.381 2.483 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 5148369 DOBCAZWFPRDXNS-SZGQWAQFSA-N 352.481 2.397 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 5489601 CVCNKGUARBFDBW-HJPHCXOUSA-N 352.481 2.315 30 40 FEEB C=CCN1C(=O)/C(=C\c2cccc(Br)c2)C(=O)NC1=S 4742227 OLTFBRRYGHIHRO-FLIBITNWSA-N 351.225 2.262 30 40 FEEB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1/N=C/c1c(Cl)cccc1Cl 9546908 LORUPXIIOJNQSW-LAOIWMIFSA-N 364.279 2.476 30 40 FEEB O=C(O)CN1C(=O)/C(=N\Nc2ccc(Cl)cc2)c2ccccc2C1=O 8781521 QMDDJNNFLHZUKA-HKWRFOASSA-N 357.753 2.223 30 40 FEEB C#CCN(C)Cc1nc(C2(O)CCN(C(=O)CC(C)(C)C)CC2)cs1 225470672 PCPPSFXCFCRGND-UHFFFAOYSA-N 363.527 2.454 30 40 FEEB biogenic,in-vitro C=CCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC2)n1 225924065 BIDDUDSYYGXIJA-UHFFFAOYSA-N 373.511 2.490 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245229303 SXNKVXSDDHEEDA-RRIZOPCESA-N 356.513 2.072 30 40 FEEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 13801237 LZLIOJWOCCZHBC-KFWWJZLASA-N 365.437 2.153 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccco2)[C@H]1c1ccncc1 20218965 DIHNOGDPVPVRJC-FACDMIAISA-N 367.405 2.214 30 40 FEEB C=CCN1C(=O)/C(=C/N(C)C)S/C1=N\S(=O)(=O)c1ccc(F)cc1 102546861 KBJPLDYEQGHOEQ-WQTULGNZSA-N 369.443 2.035 30 40 FEEB N#CCc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 7821822 YCPHRAIYMQGPEM-NRFANRHFSA-N 374.400 2.085 30 40 FEEB COc1ccc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c(OC)c1 12867247 OHRGRQLKSSCSLL-IDUWFGFVSA-N 355.346 2.184 30 40 FEEB biogenic Cc1cccc(N2CCN(CCNC(=O)N3CCC(C#N)CC3)CC2)c1 58304572 UTTOXYYFKVZSRD-UHFFFAOYSA-N 355.486 2.062 30 40 FEEB CO[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 65754323 CIWKDLYOSTVYGH-GOSISDBHSA-N 350.422 2.380 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 409132322 NXMNOWXOLVUFOC-BJMVGYQFSA-N 368.143 2.142 30 40 FEEB COc1cc2ccccc2cc1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1775973738 YJYYTVPOASSRET-UHFFFAOYSA-N 373.416 2.471 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 3451165 WMTZMJWXLMVETM-UHFFFAOYSA-N 365.846 2.239 30 40 FEEB O=C(NCc1ccccc1)c1nnn(/N=C/c2ccc(Cl)cc2)c1O 108627203 ZCMCRQOZFWVEMF-RGVLZGJSSA-N 355.785 2.449 30 40 FEEB CCOC(=O)[C@@H](/C=N\S(=O)(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1 104197426 SBMINKWPQIHDMZ-MCRQTXEHSA-N 361.443 2.155 30 40 FEEB COc1ccccc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 48643537 OLHIUNKWFSIQPQ-UHFFFAOYSA-N 360.391 2.273 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(OC)c1 5370873 CEYIAPZASAIFQH-HJPHCXOUSA-N 368.480 2.097 30 40 FEEB CS(=O)(=O)c1ccc(-c2cc(C3CCNCC3)c(C#N)c(N)n2)cc1 71735863 SLVPSFOIWUYPIE-UHFFFAOYSA-N 356.451 2.073 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 408724747 HEKMWLKACLSICE-RCUOQLDVSA-N 351.362 2.434 30 40 FEEB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cccc(C#N)c5)C[C@H]4C3)n1)CCC2 2086992560 SMKJURVBZRERQH-HDICACEKSA-N 373.460 2.354 30 40 FEEB COc1ccc(N2CCN(C(=O)CNc3cccc(C#N)c3)CC2)cc1 12543118 OPZAYZJZGBYXCO-UHFFFAOYSA-N 350.422 2.328 30 40 FEEB COc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(CNC(C)=O)s1 58048664 KYCHRFSSMYUJEA-UHFFFAOYSA-N 368.436 2.086 30 40 FEEB C[C@H]1CN(C[C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@@H](C)O1 58209354 GEBAHYTVBFVZJW-JZXOWHBKSA-N 357.454 2.037 30 40 FEEB CCOc1cc(/C=N/NC(N)=S)ccc1Oc1ccc([N+](=O)[O-])cn1 6242542 VXORQZIJNKZFAK-QGMBQPNBSA-N 361.383 2.348 30 40 FEEB C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)O)S1)c1ccc(Br)cc1 4709249 BTWUVWNJCQXANQ-JYMRLUDQSA-N 370.228 2.235 30 40 FEEB N#C[C@@]1(F)CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)C1 615531597 QGSCIBJZKBOQDW-INIZCTEOSA-N 358.764 2.204 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)COc3cccc(F)c3)CC2)cc1 23437629 VFXGOPLKWCAXKV-UHFFFAOYSA-N 353.397 2.421 30 40 FEEB COc1ccc(/C=C/C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1OC 10003073 CAEAITVDRTXPQO-VQHVLOKHSA-N 371.349 2.489 30 40 FEEB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 10553108 IZASTWKJGRTETD-CQSZACIVSA-N 365.389 2.167 30 40 FEEB CN(CCC#N)C(=O)COC(=O)c1cccnc1Nc1ccccc1F 2657384 GGTJDQVSIGEPMA-UHFFFAOYSA-N 356.357 2.493 30 40 FEEB Cc1sc2ncn(/N=C/c3ccc(OCC(=O)O)cc3)c(=O)c2c1C 13352436 VDOXNZBAXOSKHY-FBCYGCLPSA-N 357.391 2.420 30 40 FEEB N#Cc1ccc(N2CCC3(CCC(=O)N3CCN3CCCC3)CC2)nc1 96228126 WLCQMZHCRZQQJL-UHFFFAOYSA-N 353.470 2.010 30 40 FEEB COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(O)c(OC)c2)c1 5408838 OYJFUTLHWPVHDO-INIZCTEOSA-N 355.346 2.275 30 40 FEEB Cc1c(C#N)c(N2CCC[C@@](O)(CC(=O)N(C)C)C2)nc2ccccc12 591618814 VGDWCSBZBDZGOJ-HXUWFJFHSA-N 352.438 2.225 30 40 FEEB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1/N=C/c1ccccc1 4045494 LQDLFBOPTPCJRW-AZHVYHFMSA-N 358.401 2.298 30 40 FEEB biogenic C=CCNC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10328557 BSGFCGMIRVXRRO-UHFFFAOYSA-N 373.434 2.226 30 40 FEEB O=C1Nc2ccccc2C(=O)/C1=C/NC(=S)NCCc1ccccc1 102921797 QWTLRVMWDRDAOT-QINSGFPZSA-N 351.431 2.412 30 40 FEEB Cc1nc(CCNC(=O)CC2=C(c3cccs3)CCC2=O)cc(=O)[nH]1 108827786 VBYOTSOUSJXGHB-UHFFFAOYSA-N 357.435 2.005 30 40 FEEB O=S1(=O)N=C(N(CCO)/N=C/c2ccc(Cl)cc2)c2ccccc21 4269855 DXZYHWRIRYVPFD-WOJGMQOQSA-N 363.826 2.117 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32504627 JIOBYJAFRVSKGL-BHQQRDBZSA-N 370.471 2.473 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245229120 NRAWHIODSJYFAC-VNRRHXKUSA-N 370.540 2.318 30 40 FEEB N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cnn[nH]3)c2)c1 610663658 VHEWXVMHXDWQJB-UHFFFAOYSA-N 361.365 2.250 30 40 FEEB C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 575424471 LOGDUKGFIIVITQ-MRXNPFEDSA-N 357.497 2.057 30 40 FEEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 12736437 IKFVBTPDIPPCKP-UHFFFAOYSA-N 364.452 2.132 30 40 FEEB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2ccncc2)C1=O 3579828 WBXIVAODZHIRLT-GVLJNOETSA-N 360.320 2.484 30 40 FEEB C#CCOc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409404510 DNRZFGYEKILWEK-MWDDYTRKSA-N 354.793 2.493 30 40 FEEB Cn1ccnc1Cn1c(C#N)cc(N)c1N1CCN(c2ccccc2)CC1 225870327 UUTPYDRCUAOKOJ-UHFFFAOYSA-N 361.453 2.050 30 40 FEEB C/C(CC(=O)NCCc1ccccc1)=N/NS(=O)(=O)c1ccc(C)cc1 5809942 OYNSBVXFPUVUCQ-PGMHBOJBSA-N 373.478 2.398 30 40 FEEB CCc1ccc(S(=O)(=O)N/N=C2\C(=O)N(CC)c3ccccc32)cc1 18212984 PCWXHEUYLLRQIC-ZPHPHTNESA-N 357.435 2.298 30 40 FEEB N#Cc1cnc(N2CCN(c3ccnc(N4CCCC4)n3)CC2)c(Cl)c1 1889108519 BMORGGFHQHBOMZ-UHFFFAOYSA-N 369.860 2.323 30 40 FEEB Cc1nc(N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)c2ccncc2n1 1889186701 BXCNBGGCKRRPQP-MAUKXSAKSA-N 357.421 2.315 30 40 FEEB CN(C)c1cccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 206602006 NWTUIDCNLJNPQN-UHFFFAOYSA-N 364.453 2.061 30 40 FEEB C[C@H](Sc1nnc(C(C)(C)C)n1N)C(=O)N(C)C1(C#N)CCCCC1 21246542 RDQCVLQAMXZXHO-LBPRGKRZSA-N 364.519 2.455 30 40 FEEB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3N3CCCN23)cc1 102681796 BEKUHNVFELTGNQ-VAMGGRTRSA-N 372.428 2.402 30 40 FEEB Cc1ccc(/C(N)=N\O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 52796137 SEVFSHXPGRXQAP-KRWDZBQOSA-N 366.465 2.369 30 40 FEEB N#Cc1ccccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)O)C1=O 9870406 MMWMFNWOMDJMKI-CYBMUJFWSA-N 353.359 2.076 30 40 FEEB Cc1nc2nc(SC[C@@H](O)COc3ccc(C#N)cc3)nn2c(C)c1C 58192895 SRKDZZZYQFSPBP-HNNXBMFYSA-N 369.450 2.453 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1c(C)c(CC)nc2ccccc12 3514846 QHTBFEGKQQIQMO-UHFFFAOYSA-N 355.394 2.274 30 40 FEEB C=CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(OC)c2)C1=O 409106138 QMFICPFSHRLNST-NTEUORMPSA-N 363.391 2.469 30 40 FEEB C=CCNC(=O)CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)CC 19499190 HCNBRZHJWXTBGE-GUDVDZBRSA-N 373.472 2.154 30 40 FEEB COC(=O)[C@H]1C/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1 644731 GGSGBNVVRSNKAC-UDJKBAMHSA-N 372.446 2.413 30 40 FEEB Cn1c2cc(-c3[nH]ccc3[N+](=O)[O-])c(C#N)nc2c(=O)n1-c1ccccc1 36649126 HWBVSOWKEJQQBO-UHFFFAOYSA-N 360.333 2.499 30 40 FEEB CCCCNC(=O)[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccccc2C#N)C1 48331696 YNMAJFOHFRSEPM-HOCLYGCPSA-N 363.483 2.264 30 40 FEEB Cn1cc([C@H]2[C@@H]3C(=O)CC(C)(C)C[C@H]3O[C@@H](N)[C@H]2C#N)c(C(F)(F)F)n1 408717936 WBTSJQZSYFGMKH-VCKDSHSUSA-N 370.375 2.351 30 40 FEEB CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 591618752 SFUKNDFANNBENH-INIZCTEOSA-N 355.360 2.387 30 40 FEEB C=CCOc1ccc(C(=O)N2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)cc1 1565553553 DCDFEMVZFJBPLR-CEXWTWQISA-N 370.449 2.103 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)OC/C=C/c2ccccc2)cc1 40024608 HIXHNVICFJUAKO-RMKNXTFCSA-N 355.415 2.468 30 40 FEEB Cc1n[nH]c(C)c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccs1 102737720 JLZFJIWGSFVPJA-IDTYTIONSA-N 374.466 2.071 30 40 FEEB C=CCn1c(O)nc(O)c([C@H]2c3[nH]c4ccccc4c3CCN2CC)c1=O 9041337 CZAGSXVMVVKPMP-KRWDZBQOSA-N 366.421 2.289 30 40 FEEB biogenic C/C(=N\OCC(=O)Nn1c(C)nc2ccccc2c1=O)c1ccccc1 13496563 SWPZFMIKMQJORV-LPYMAVHISA-N 350.378 2.216 30 40 FEEB C/C(Cl)=C/Cn1c(N/N=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4285189 INMHIGYFTYWHNP-JJWCQEDUSA-N 372.816 2.012 30 40 FEEB biogenic Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(N)=S)c3ccccc32)cc1 4507707 YSTUFEDYDLUXPM-VXLYETTFSA-N 372.475 2.354 30 40 FEEB N#CCSc1ccccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 84460247 NGGSXYPZTXIMTR-BETUJISGSA-N 355.419 2.192 30 40 FEEB CSCC[C@H](N/C=C1/C(=O)Oc2ccccc2C1=O)c1nc(C)no1 1547201083 VMPHHHBGVHNIAV-SRXBQZRASA-N 359.407 2.448 30 40 FEEB Cc1cc(N(C)C)nc(N2CCN(c3ncc(C#N)cc3Cl)CC2)n1 1889109026 XHKYRMPUOQVQDR-UHFFFAOYSA-N 357.849 2.098 30 40 FEEB Cc1nn(CC(=O)Nc2ncc(Cl)cc2Cl)c(=O)c(C#N)c1C 31756452 CGTPBMDIHXSMGT-UHFFFAOYSA-N 352.181 2.072 30 40 FEEB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@]2(C#N)CCSC2)cc1 77034786 NPTDKCUDRLVRJZ-INIZCTEOSA-N 359.480 2.058 30 40 FEEB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(CC#N)cc3)C2=O)o1 58217389 AJNSQZCHZMFOKC-LJQANCHMSA-N 366.377 2.060 30 40 FEEB N#Cc1ccc(NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 58342353 IDWBCFCCHHQAJM-UHFFFAOYSA-N 363.421 2.029 30 40 FEEB COc1ccc(/C=C\[C@@H]2C(C#N)(C#N)C(OC)(OC)C2(OC)OC)cc1 4568235 IRCJBAHQWUFZST-JXMNSVBMSA-N 358.394 2.350 30 40 FEEB CC(C)C(=O)N1CCC[C@@H]1/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 84370527 JNHYXWIUXQGSOH-MRXNPFEDSA-N 364.467 2.468 30 40 FEEB C[C@H]1CN(/C(O)=N/Cc2ccc3sccc3c2)CCN1S(C)(=O)=O 329611146 OASQSQUQXMOKMA-LBPRGKRZSA-N 367.496 2.281 30 40 FEEB CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1ccc(C#N)cn1 583619199 RVDGWYPAWRJOSF-OALUTQOASA-N 350.422 2.097 30 40 FEEB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1ccc(OCC#N)cc1 5705823 RSFHWMCWKGNFFU-OAHLLOKOSA-N 367.405 2.002 30 40 FEEB Cn1c(SC[C@@H](O)COc2ccc(C#N)cc2)nnc1C(F)(F)F 11676652 OMTIYOIMJKLMGY-JTQLQIEISA-N 358.345 2.238 30 40 FEEB N#CC1(C(=O)N2CCC3(CC[C@@H](C(=O)NCC4CC4)O3)CC2)CCCC1 1565554217 UJHHKNAPBMLCOY-INIZCTEOSA-N 359.470 2.137 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 104100622 ISDOWDQIDBBNCI-IDTYTIONSA-N 354.318 2.313 30 40 FEEB N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCCCO3)cc1 12557038 YSCXTFRQLKTMCN-UHFFFAOYSA-N 374.374 2.219 30 40 FEEB CO/C(=N\[C@H](NC(=S)NN)C(Cl)(Cl)Cl)c1ccc(C)cc1 102628469 SLTWZHKHOSAPOE-LGQZLYSRSA-N 369.705 2.422 30 40 FEEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)Cc2ccc3c(c2)CCO3)cc1 48420118 YQXTYAPNQCYWHO-UHFFFAOYSA-N 374.418 2.468 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1 14123206 YXRJWVLIYKURNB-UHFFFAOYSA-N 374.448 2.129 30 40 FEEB C/N=C1/S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C(=O)N1C 408930444 XEVQEATWMKMKQD-IOIVTLPZSA-N 370.814 2.344 30 40 FEEB COc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1Cl 72309810 USIRALYEQAUTAU-UHFFFAOYSA-N 366.849 2.428 30 40 FEEB CCOc1ccc([N+](=O)[O-])cc1C=Nn1c(O)nc2ccccc2c1=O 409346377 LHIVKMBUKRFUND-UHFFFAOYSA-N 354.322 2.291 30 40 FEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1OC 222369843 XMHDEEIHFNLZDA-DVEHIQHMSA-N 352.390 2.091 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 5516434 XXBHLGZVICJEFR-DDVQTAGUSA-N 358.872 2.351 30 40 FEEB COc1ccccc1[C@H](CNC[C@@H](O)COc1ccc(C#N)cc1)N(C)C 23248958 PGGBLDARDSORPT-XLIONFOSSA-N 369.465 2.199 30 40 FEEB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 58184688 JRXUBIGWYLKOAD-JOTOCRJQSA-N 368.437 2.020 30 40 FEEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)C1CC1 101317300 QOXIKMJPQDGVJB-YXEAAEFPSA-N 370.883 2.351 30 40 FEEB CCCCCn1/c(=N/C(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21 2222080 GYTHAENOSVISSX-RELWKKBWSA-N 363.421 2.467 30 40 FEEB COc1cc(/C=N/N2C(=O)CSC2=S)c(Br)cc1O 409349921 WOMVUONVXKJXSZ-YIXHJXPBSA-N 361.242 2.358 30 40 FEEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@]2(C#N)C=O)cc1 218164349 XRCVMIFHAINYGN-FHWLQOOXSA-N 369.398 2.372 30 40 FEEB COc1cc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)ccc1C#N 1775958190 JFFMKLWLNHDSGN-JKSUJKDBSA-N 358.394 2.051 30 40 FEEB C=CCN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 32770913 CRCUPIUPVBLIFR-KRWDZBQOSA-N 368.462 2.383 30 40 FEEB N#Cc1ccc(NCCNC(=O)c2ccc(NC(=O)C3CC3)s2)nc1 31539814 LYODVCSOJJQDAU-UHFFFAOYSA-N 355.423 2.205 30 40 FEEB COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)ccc1O 870973 WKOXXIPBHZBCKM-KRWDZBQOSA-N 354.362 2.280 30 40 FEEB biogenic CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1nccnc1C#N 107895803 COMSRBXONQANEG-LJQANCHMSA-N 351.454 2.230 30 40 FEEB N#Cc1cccc(S(=O)(=O)/N=C(\O)[C@@H]2CC(=O)Nc3ccccc32)c1 48601126 IINOHIAIGDALIQ-CQSZACIVSA-N 355.375 2.329 30 40 FEEB NC(=O)c1ccc[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 7739255 CPLFKERRVACFPE-UHFFFAOYSA-O 358.727 2.384 30 40 FEEB N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccccc2F)CC1 7902888 AXANSIIPXMVZPP-UHFFFAOYSA-N 363.389 2.347 30 40 FEEB C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C(N)=O)CC1 95953619 ZVGCWMXPMHKVJX-CYBMUJFWSA-N 360.483 2.217 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(F)c1 32635456 RODKDQNMPQCUIK-BREGNPSQSA-N 356.444 2.146 30 40 FEEB C=C(C)CN1CCN([C@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36366135 DRCLUSVNPBNVQP-SFHVURJKSA-N 371.437 2.196 30 40 FEEB CCN1CCN(c2nn(-c3ccccc3C(F)(F)F)nc2C#N)CC1 256046470 GBTBDUKWOFCGDH-UHFFFAOYSA-N 350.348 2.300 30 40 FEEB CC(C)NC(=O)c1cn2c(n1)[C@@H](C)N(C(=O)c1cccc(C#N)c1)CC2 585096610 WBGWXVYFAQNJFN-CYBMUJFWSA-N 351.410 2.110 30 40 FEEB CC1(C)OB(c2ccc(N3CCN(C4CCCC4)CC3)nc2)OC1(C)C 200996163 AWVHJAMXEPONJS-UHFFFAOYSA-N 357.307 2.445 30 40 FEEB Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 12759348 YRUMMIRJWRUGKM-UHFFFAOYSA-N 357.435 2.117 30 40 FEEB C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3CC2=O 28538801 CBOSLVQFGANWTL-DVPYZRQCSA-N 357.494 2.000 30 40 FEEB biogenic,in-vitro C=C(C)CN1C(=O)/C(=C/Nc2ccc([N+](=O)[O-])cc2C)C(=O)N(C)C1=S 8301208 VNYOWICYFALNSK-MDWZMJQESA-N 374.422 2.361 30 40 FEEB N#Cc1ccc(O[C@@H]2CN(C(=O)C3=CCCCC3)Cc3ccnn3C2)nc1 306126205 DPPCWVHQSFGMKX-GOSISDBHSA-N 363.421 2.440 30 40 FEEB CCS(=O)(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225670574 JECBMPMDVUMSFF-GRDNDAEWSA-N 371.430 2.189 30 40 FEEB N#Cc1nccnc1N1CCC(CNC(=O)NCc2cccs2)CC1 206608423 BMIKFVYRGQNOAV-UHFFFAOYSA-N 356.455 2.126 30 40 FEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)NC4CC4)C3)C2)c1 96229009 XBVQUFCKGNIYSQ-FQEVSTJZSA-N 354.454 2.349 30 40 FEEB CC(C)=NN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 575422725 NBSYTSQRALTSOI-HNNXBMFYSA-N 372.512 2.384 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n(-c4ccccc4C)c(C)cn23)n(C)c1=O 4911929 LUCAJFBCYUXNTK-UHFFFAOYSA-N 363.421 2.332 30 40 FEEB Cc1nn(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c(=O)c(C#N)c1C 12886017 QCUFAFSRFHQWDA-SFHVURJKSA-N 356.401 2.384 30 40 FEEB N#Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCOCC1 12926004 YUKNIIWOOCPGSX-MRXNPFEDSA-N 371.462 2.188 30 40 FEEB Cn1ncc([C@H]2[C@H]3C(=O)CC(C)(C)C[C@@H]3O[C@@H](N)[C@H]2C#N)c1C(F)(F)F 408717939 WNANDJIMTDRPRE-LWMVMKKNSA-N 370.375 2.351 30 40 FEEB C=CCN1CCC(NS(=O)(=O)c2cc(Cl)cc(C(=O)O)c2C)CC1 185009911 MOFFBCVRYRCYGT-UHFFFAOYSA-N 372.874 2.275 30 40 FEEB N#Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c(F)c1 2087136693 IFWQVNFTGJLWSH-MRXNPFEDSA-N 367.371 2.156 30 40 FEEB O=C1C(=O)N(CCO)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1 104078649 ATAQSGQWQLBMHU-IBOXJLQUSA-N 368.345 2.009 30 40 FEEB COc1cc(NC(=O)CO/N=C(\N)c2cccs2)cc(OC)c1OC 50513004 DSEAFKVKZRVPLA-UHFFFAOYSA-N 365.411 2.050 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccc(OC)c1 102721232 BQIGIPOAPYFNQW-IBOXJLQUSA-N 357.362 2.356 30 40 FEEB CCOc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1 891555 LPLJTWXUSGRTJG-UHFFFAOYSA-N 357.435 2.456 30 40 FEEB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1 983629 ZCPVHQWYYUMCRP-UHFFFAOYSA-N 356.309 2.279 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 11999685 GRNAJNAVFGVJJQ-PLDZJGDPSA-N 366.508 2.126 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2 5887753 MKRUHIZBSKCRCE-AWEZNQCLSA-N 371.824 2.302 30 40 FEEB CO/N=C/Nc1nc2nccc([C@H](C)Oc3ccc([N+](=O)[O-])cc3)n2n1 8781505 MYWIRGHDTWOGKP-JTQLQIEISA-N 357.330 2.174 30 40 FEEB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(Br)c1OCC#N 96580186 VQQFVGKKWRKBOP-JOYOIKCWSA-N 373.228 2.148 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)c(OC)c1 4474983 USHYQJVTSVUMHD-FFCDPUSQSA-N 352.390 2.235 30 40 FEEB Cc1nnc(N2CCN(c3ccc(Br)cn3)CC2)c(C#N)c1C 29624839 OMGOPVRBFDOYQS-UHFFFAOYSA-N 373.258 2.449 30 40 FEEB C=CCNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 6295772 CHROKBIHFILAGH-UHFFFAOYSA-N 372.490 2.442 30 40 FEEB N#Cc1ccccc1NC(=O)CCN1CCN(c2ccccc2O)CC1 28843767 WXZCBATXFLXCLA-UHFFFAOYSA-N 350.422 2.415 30 40 FEEB CCc1nn(C)c(CC)c1C/C(O)=N/C1CCN(c2nccn2C)CC1 328769914 QWSCXTUVILRSDJ-UHFFFAOYSA-N 358.490 2.446 30 40 FEEB N#Cc1ccc2nc(CO[C@H]3CN(C(=O)c4cccnc4)C[C@H]3F)[nH]c2c1 96112058 GVMZDZNNIAVVLW-PBHICJAKSA-N 365.368 2.209 30 40 FEEB biogenic,in-vitro N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1C(F)(F)F 262701925 ZFECQJQXUPXTCN-GFCCVEGCSA-N 362.329 2.205 30 40 FEEB N#Cc1nccnc1N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775970069 ABUACMSVTNANLT-UHFFFAOYSA-N 361.384 2.271 30 40 FEEB C[C@@H]1CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CC2)C[C@@H](C)O1 5443038 FLEQTDQLCKIVDS-UMVBOHGHSA-N 365.437 2.129 30 40 FEEB N#CCCN(Cc1ccco1)C(=O)Cn1nc(-c2ccccc2)ccc1=O 52892755 SYLPKWHZFYRSBL-UHFFFAOYSA-N 362.389 2.446 30 40 FEEB N#Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 6287463 MCYTVQQNFKWTSD-CQSZACIVSA-N 363.373 2.321 30 40 FEEB CCCC/N=C1\NC(=O)[C@H](CC(=O)NCCc2ccc(OC)cc2)S1 6480945 WYXINHCWBDIWBV-HNNXBMFYSA-N 363.483 2.132 30 40 FEEB O=C(C[n+]1ccc(C(=O)NCCO)cc1)c1ccc(-c2ccccc2)cc1 7966377 MIFBWKPJXKSZTN-UHFFFAOYSA-O 361.421 2.246 30 40 FEEB N#Cc1c(-c2ccc3c(c2)OCO3)c(C#N)c2n3c(nn2c1=O)CCCCC3 3230776 MQGAHIIPLALOBR-UHFFFAOYSA-N 373.372 2.361 30 40 FEEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 3415233 ARLJRHBBHNOZOY-UHFFFAOYSA-N 353.312 2.105 30 40 FEEB COC(=O)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccc(OC)c2)cc1 6304571 ZCRGMYJLZVLEGC-MRXNPFEDSA-N 367.357 2.348 30 40 FEEB N#CCn1cc(NC(=O)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cn1 95461245 MGCHXIQYIWKKPX-UHFFFAOYSA-N 355.251 2.142 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 225802044 RYBYDAWXQSMJJB-LLVKDONJSA-N 363.299 2.056 30 40 FEEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc(=O)[nH]c1 85474027 BIHZNBZNWJMDRU-UHFFFAOYSA-N 350.296 2.206 30 40 FEEB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1OC 226044998 VKPBENSHXQFLJO-UHFFFAOYSA-N 373.434 2.312 30 40 FEEB COC(=O)c1ccc(C(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1 90730686 WZRNYMSCGFEAGJ-UHFFFAOYSA-N 367.357 2.014 30 40 FEEB N#Cc1ccc(CC(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)cc1 1565556009 UBOCCEGXRULHDB-VQTJNVASSA-N 365.433 2.053 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)cn23)n(C)c1=O 4370365 YXTMOFHONIIGRG-UHFFFAOYSA-N 363.421 2.250 30 40 FEEB COc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1OC 21659620 AZCXATDHDPVAAC-UHFFFAOYSA-N 364.405 2.307 30 40 FEEB Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)Cn3ccnc3C)c2c1C#N 2708658 VISFBHQSVARGBX-HNNXBMFYSA-N 361.405 2.000 30 40 FEEB C=CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccs1 23715027 XZMYVEJJXULMKC-UHFFFAOYSA-N 356.494 2.303 30 40 FEEB COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 36385109 MEBSVJZPDIYRAR-UHFFFAOYSA-N 373.434 2.418 30 40 FEEB N#Cc1ccc(CN2CCCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cc1 29984603 ZPDFAOCHDKOYTJ-UHFFFAOYSA-N 362.433 2.005 30 40 FEEB COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)c1OC 9578491 PBYKELMZDJEGQM-OAHLLOKOSA-N 355.398 2.348 30 40 FEEB N#Cc1cccc(Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c1 32831875 WXVJLDHKINUKIU-UHFFFAOYSA-N 372.344 2.410 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccncc3Cl)C2)cc1 575608417 YBQFAIAWCITUPJ-CYBMUJFWSA-N 363.826 2.449 30 40 FEEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(C)nn(CC)c1C 2770536 ZRINKRDVUCDWOW-INIZCTEOSA-N 359.426 2.374 30 40 FEEB N#Cc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c1 26816417 JGVHENAROUJLRY-MRXNPFEDSA-N 373.459 2.261 30 40 FEEB Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N1C[C@H](C)O[C@@H](C)C1 407983486 POUCJIODWIALDG-STQMWFEESA-N 373.840 2.471 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)[C@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O 242554648 MRGPIPIRANVGLC-XJKCOSOUSA-N 373.858 2.313 30 40 FEEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)c(OC)c1 18196080 WINKYEJNACVINW-MRXNPFEDSA-N 355.398 2.348 30 40 FEEB C=CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C 19554467 LYYKJXVFPKOYGJ-FDFHNCONSA-N 366.509 2.240 30 40 FEEB C=CCn1c(NN)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 19882281 FFGZCPPCKADIJP-UHFFFAOYSA-N 367.478 2.488 30 40 FEEB CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)[C@@H](C#N)C(=O)OCC 1758798 RKEGILHUIYDUHE-CABCVRRESA-N 361.394 2.215 30 40 FEEB CNC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1 980743 FJWFZJYCADTWPW-RGVLZGJSSA-N 372.450 2.141 30 40 FEEB C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(/N)c1cccnc1N1CCCCC1 58406612 WERMIBOJTGBQGF-NVXWUHKLSA-N 373.501 2.404 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1C 5339631 IKYZGFGSYIWHMY-SZGQWAQFSA-N 352.481 2.315 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)NC(=O)c2ccco2)cc1C 95373451 PSSNTRBXBZDLNI-NSHDSACASA-N 366.395 2.060 30 40 FEEB C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 575425216 RHHXBRJXDJRHKD-AWEZNQCLSA-N 363.888 2.094 30 40 FEEB C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 22406736 UZXTZNIHRAFQRU-ZFWWWQNUSA-N 366.483 2.468 30 40 FEEB CCCCN1C(=O)[C@@](O)(c2c(C)nn(CCC#N)c2N)c2ccccc21 6848487 DKKKQFAJVUGDKS-IBGZPJMESA-N 353.426 2.070 30 40 FEEB C[C@H](Sc1nnc(-c2ccccc2)n1N)C(=O)NC1(C#N)CCCCC1 3445036 YMBCJPREHXVTOD-ZDUSSCGKSA-N 370.482 2.482 30 40 FEEB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C#N)cc1C 3360829 HQTKMNZSGCBBBX-UHFFFAOYSA-N 365.389 2.087 30 40 FEEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(CC=C)C2=O)cc1OCC 13388284 RVJQKIKRYDQMJE-KAMYIIQDSA-N 356.378 2.298 30 40 FEEB Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@](C)(C#N)C(C)C 15520554 FFNGNGGCJLQAFK-QGZVFWFLSA-N 358.471 2.426 30 40 FEEB COCc1cc(C)nc(N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1C#N 33851229 KRBKNPOKPGEVSP-GXHLCREISA-N 369.337 2.491 30 40 FEEB CCOc1cc(/C=N/n2cnnc2)cc(I)c1OC 33633930 PFSSJNTUQIYEGF-OMCISZLKSA-N 372.166 2.172 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)C(=O)NC1=S 230597687 XRYSHXDSINVACL-UKTHLTGXSA-N 360.435 2.295 30 40 FEEB CN(C)C(=O)C[C@]1(O)CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 591617998 MKSXVXJXCIXKJT-MRXNPFEDSA-N 355.360 2.387 30 40 FEEB C[C@H](NC(=O)COC(=O)COc1ccc(C#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102240106 CBZMLGBXAGAHBT-OWIUFQIYSA-N 356.422 2.421 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 101301126 PDXHWEYEOZMVCB-UWLOGMJLSA-N 358.872 2.351 30 40 FEEB CC(C)c1cc(C(=O)Nc2cccc(C#N)c2)nn1[C@@H]1CCS(=O)(=O)C1 11997150 DWFUXBXFPDGMDO-OAHLLOKOSA-N 372.450 2.490 30 40 FEEB COc1cc(OC)c([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1OC 4716060 BSBMLMVXTOUWRD-KRWDZBQOSA-N 356.382 2.326 30 40 FEEB C=CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(CC)cc1 408710383 ZTTDXUHYDMFPGJ-UHFFFAOYSA-N 365.433 2.420 30 40 FEEB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@H]3N3CCCN23)cc1 85892445 BEKUHNVFELTGNQ-UFYCRDLUSA-N 372.428 2.402 30 40 FEEB N#Cc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)cc1 47277556 VZEQVPQEZDBDGS-UHFFFAOYSA-N 357.391 2.056 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 252018569 WZYARDGPBBDMMD-IJMXOLJRSA-N 370.471 2.473 30 40 FEEB O=C1[C@H]2O[C@@]2(c2cc(Cl)ccc2Cl)C(=O)[C@H]2[C@H]3C[C@@H]([C@H]4O[C@@H]34)[C@@H]12 253618445 PTPJTLPLTXWJEC-GBXQPKHVSA-N 351.185 2.389 30 40 FEEB CN(Cc1cn(Cc2ccccc2OC(F)F)nn1)c1cnc(C#N)cn1 1776004896 QIGYADGVDVUJRK-UHFFFAOYSA-N 371.351 2.226 30 40 FEEB CN(C)c1ccc(/C=C2\SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 12625562 ZOFXMLDZFLITKR-VKAVYKQESA-N 369.494 2.254 30 40 FEEB O/N=C(\c1ccccc1)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 103926676 WTEAORZRLOVQJG-YTNBYRGZSA-N 374.234 2.493 30 40 FEEB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O 3340574 OFFROVCLFPGYDM-HXUWFJFHSA-N 362.389 2.354 30 40 FEEB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225670518 JECBMPMDVUMSFF-JKIFEVAISA-N 371.430 2.189 30 40 FEEB C=CCN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1cccs1)C2 96229963 YYCJWOAYLAPBSB-MRXNPFEDSA-N 354.497 2.470 30 40 FEEB NC(=S)N/N=C1/CCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl 17222899 RJBNNYJHGGOJCR-WIVKAFRUSA-N 356.172 2.370 30 40 FEEB COc1cc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc(OC)c1O 20637989 HLLSCLCOOSGPMO-BZNIZROVSA-N 364.361 2.440 30 40 FEEB O=C(/C=C/c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8378656 LNMOSMBHJKQALR-XCVCLJGOSA-N 373.430 2.309 30 40 FEEB N#Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408531002 GEVPLMYCFPORRJ-UGQVUOCMSA-N 350.378 2.144 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O 242437268 BVRQXPLLGPJATG-WOSRLPQWSA-N 373.858 2.313 30 40 FEEB COc1cc2c(cc1OC)[C@H]1[C@@H](C)C(=O)C3=C(CSCC3=O)N1CC2 4580261 YIFQANBRSXPXSB-MLCYQJTMSA-N 359.447 2.392 30 40 FEEB Cc1cc(NC(=O)CSc2nc(N)c(C#N)c(C3CC3)c2C#N)no1 13577386 OANXNHAKVKEAKU-UHFFFAOYSA-N 354.395 2.312 30 40 FEEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1OC 40266867 CHMGAUHHGCQTJI-QGZVFWFLSA-N 368.393 2.021 30 40 FEEB C#CCOc1cc(N(C)C)ccc1C=Nn1c(O)nc2ccccc2c1=O 409343902 IFXQOABSJGXTMY-UHFFFAOYSA-N 362.389 2.062 30 40 FEEB Cn1c(SC[C@H](O)COc2ccc(C#N)cc2)nnc1C(F)(F)F 11676647 OMTIYOIMJKLMGY-SNVBAGLBSA-N 358.345 2.238 30 40 FEEB CN(C)[C@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 23248933 GLWZIPRRGNMAPD-TZIWHRDSSA-N 353.466 2.385 30 40 FEEB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2C#N)c1C 7304085 XCLGLKCVRWKWOW-UHFFFAOYSA-N 357.435 2.434 30 40 FEEB Cc1cccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c1 8233481 VKYNCGUHMFPMJO-CQSZACIVSA-N 365.389 2.167 30 40 FEEB N#Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 96930760 WAYYTZKQLYUYTO-RVDMUPIBSA-N 359.476 2.092 30 40 FEEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCC(=O)OC 408750904 TZBSCWDODWJIBS-OCKHKDLRSA-N 374.353 2.386 30 40 FEEB C=CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCN(C)CC1 226278110 BKMCJYIFVQIBER-UHFFFAOYSA-N 371.359 2.282 30 40 FEEB Cc1nc(C#N)c(N2CCC(C(=O)N3CCc4ncccc4C3)CC2)o1 619440813 KLVZWECMFTXLBG-UHFFFAOYSA-N 351.410 2.051 30 40 FEEB N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1nc(-c2ccccn2)n[nH]1 1682317763 YLRNWBGJLFOWNE-OAHLLOKOSA-N 359.393 2.225 30 40 FEEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc(OC)c1O 18195893 SZNQAQLTDTWOHX-ZDUSSCGKSA-N 357.366 2.403 30 40 FEEB CCOC(=O)/C(=N\Nc1ccc(F)cc1F)c1csc(NC=O)n1 4276896 KUQDKJFEEUSNRB-NDENLUEZSA-N 354.338 2.369 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4ccccc4Cl)c(C)cn23)n(C)c1=O 4912237 XQXTUPAYDIILSH-UHFFFAOYSA-N 369.812 2.286 30 40 FEEB N/C(S)=N/N=C/c1cc(Br)c(O)c(Br)c1O 6132349 UTJSDBUUDHPLQY-SWGQDTFXSA-N 369.038 2.201 30 40 FEEB CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1C 8404432 UXSXMMLUUABFFG-CYBMUJFWSA-N 373.434 2.181 30 40 FEEB C=CCn1c(=O)c2c(nc3oc(-c4ccc(Cl)cc4)cn32)n(C)c1=O 8709888 LHEQVJNCVIPEAG-UHFFFAOYSA-N 356.769 2.447 30 40 FEEB CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)c(C#N)c(=O)[nH]2)cc1 19898580 PAFOUBBDSLPOSW-UHFFFAOYSA-N 371.340 2.183 30 40 FEEB COCCN(CCOC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 26227898 DURHZSCFFIXPGO-UHFFFAOYSA-N 365.499 2.422 30 40 FEEB COC(=O)COc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1OC 44485117 BOPSCLSWPXASMZ-UHFFFAOYSA-N 354.362 2.049 30 40 FEEB CC[C@@H](C(=O)NCC#CCOc1ccccc1C(N)=O)c1ccccc1 85558800 CQLLTBOKYZMKSP-QGZVFWFLSA-N 350.418 2.478 30 40 FEEB COc1ccc(/C=N\c2nnc[nH]2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 100724076 XJZBMKAQKMNKQY-IDUWFGFVSA-N 355.358 2.334 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309641 SXNKVXSDDHEEDA-RCOPKNCUSA-N 356.513 2.072 30 40 FEEB COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2nccn2C)cc1 225887330 GGMXEIGJJWCWPF-UHFFFAOYSA-N 351.366 2.303 30 40 FEEB C=CCN1CCO[C@@H]2CN(C(=O)COc3cc(F)ccc3F)CC[C@H]2C1 1565550064 OHPXEVDTPMEKMG-KBXCAEBGSA-N 366.408 2.079 30 40 FEEB N#Cc1ccc(S(=O)(=O)NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 42303391 QPUFXDZRFKTIAD-UHFFFAOYSA-N 374.805 2.493 30 40 FEEB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NCCC#N)c2ccccc21 58289535 NLOANMLWZPHKIA-YQQAZPJKSA-N 356.470 2.313 30 40 FEEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(O)c(OC)c3)cnc12 2373782 SXTACNUQVYSRDP-ZVBGSRNCSA-N 364.361 2.483 30 40 FEEB NC(=O)c1ccc(CO/N=C(/N)c2cccnc2N2CCCCC2)cc1 64430298 OLXXINQGLPTSBY-UHFFFAOYSA-N 353.426 2.008 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)CCN2C(C)=O 14185276 AKACXMVQQSQRNN-UHFFFAOYSA-N 365.389 2.493 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C#N)C2=O)cc1 408529653 CVEMELUKWZVDEC-HNNXBMFYSA-N 362.345 2.168 30 40 FEEB C[C@@H](c1cccc(C#N)c1)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 284479649 GMWKZCJQPXYXSI-MAUKXSAKSA-N 359.470 2.203 30 40 FEEB COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)c1 17967058 NAKBBGCAAFXSHE-MRXNPFEDSA-N 355.398 2.348 30 40 FEEB Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)N[C@@](C)(C#N)C1CC1 55852085 RFVLCPHUCMVDOT-FQEVSTJZSA-N 354.454 2.451 30 40 FEEB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N\N/C(N)=N/[N+](=O)[O-])o2)cc1Cl 50446600 FUQYGOOJVDOUBY-SOFYXZRVSA-N 366.721 2.247 30 40 FEEB C#CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1CC=C 59139894 KBNNQGWQBLVRQE-UHFFFAOYSA-N 354.431 2.026 30 40 FEEB COCCNC(=S)N/N=C/c1c(C)nn(Cc2ccccc2)c1Cl 2632059 NADZLBURXZWPHX-VXLYETTFSA-N 365.890 2.338 30 40 FEEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 6671908 YXMAGCHSAOVBEC-CHWSQXEVSA-N 366.464 2.066 30 40 FEEB N/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 4091013 XPNQUVNMEOCANK-AWEZNQCLSA-N 369.402 2.396 30 40 FEEB biogenic CC(C)(C)OC(=O)N[C@]1(C=O)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218005827 HGKCKJHNKGKERB-DOMZBBRYSA-N 359.831 2.348 30 40 FEEB N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1C[C@@H]1CCCO1 225871989 NQVBRYRSXDMIJC-IBGZPJMESA-N 365.481 2.443 30 40 FEEB C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2S(=O)(=O)c1ccc(F)cc1 96082489 QKTRZPFMPHOOOW-IAOVAPTHSA-N 355.431 2.196 30 40 FEEB NC(=O)c1ccccc1OCC#CCNC(=O)Cc1ccccc1Cl 90610541 PWIGNEJFKGKMFP-UHFFFAOYSA-N 356.809 2.180 30 40 FEEB N#Cc1cnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)c(Cl)c1 1889098085 KQLGUDASCDMMNG-CYBMUJFWSA-N 350.875 2.398 30 40 FEEB N#CC1(C(=O)N2C[C@H]3c4nc(N5CCCC5)ncc4C[C@H]3C2)CCCC1 1565554028 PFYKLHSVUJIIQN-JKSUJKDBSA-N 351.454 2.259 30 40 FEEB C[C@H]1CN(CCCNC(=O)CSCc2ccc(C#N)cc2)C[C@@H](C)O1 40120883 XXJRQJZPQJPZDI-IYBDPMFKSA-N 361.511 2.407 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1C 101318157 LNPWGEOQVXFUBI-YTRIFDNDSA-N 364.492 2.315 30 40 FEEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C\c1ccc(OCC)cc1)N2 102971331 VAJMAEIWXDDYNC-SDNWHVSQSA-N 355.394 2.005 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2OC)cc1OC 95385801 MEISVNYKXMEBMM-UHFFFAOYSA-N 351.380 2.406 30 40 FEEB COc1ccccc1-n1cnnc1SCC(=O)N[C@@](C)(C#N)C(C)C 3450713 MTZWXCVNLDJMTF-KRWDZBQOSA-N 359.455 2.422 30 40 FEEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1O 409346931 LUEFXALTRVFENT-UHFFFAOYSA-N 360.713 2.252 30 40 FEEB CN(C)c1nccc(N2CCN(c3nc4ccccc4cc3C#N)CC2)n1 1889191893 RYRREGLHRBWTRR-UHFFFAOYSA-N 359.437 2.289 30 40 FEEB COc1ccccc1[C@@H](CNC[C@H](O)COc1ccc(C#N)cc1)N(C)C 23248959 PGGBLDARDSORPT-FXAWDEMLSA-N 369.465 2.199 30 40 FEEB N#Cc1cccc(OCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 47349382 XIFNYNQIWQHKHX-HXUWFJFHSA-N 363.373 2.167 30 40 FEEB Cc1oc(C)c(/C(O)=N/S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1C 54487875 QLZBOQMWCLESGV-UHFFFAOYSA-N 371.436 2.302 30 40 FEEB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 3462256 PTCRTFWZHXBYBR-HXUWFJFHSA-N 362.389 2.354 30 40 FEEB C=CCn1c(S[C@@H](C)C(=O)NC(=O)NCC)nnc1-c1ccccc1 3522130 QEZZWVLNHUVRBE-LBPRGKRZSA-N 359.455 2.457 30 40 FEEB C=CCNC(=O)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 408975211 KKGDABMMDFMNBQ-UHFFFAOYSA-N 358.357 2.346 30 40 FEEB Cc1ccc([C@@H]2CCC[C@H]2N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)cc1 76063799 HUEOXNJPYKABHO-DOTOQJQBSA-N 352.438 2.037 30 40 FEEB C#CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409408055 WQAAAOVJBJYLCK-MGBSGCIJSA-N 354.793 2.493 30 40 FEEB COc1ccccc1C/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408529703 CYASTBPTQSUFQK-SVZNOHIVSA-N 365.389 2.474 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 222248487 HCKZNPLHWXTKAE-NAORUJTJSA-N 352.390 2.091 30 40 FEEB Cc1nc(C(=O)N[C@@]23CCC[C@H]2N(c2ncc(C#N)cc2F)CC3)co1 1775990942 INBFUHRDFQANTN-CRAIPNDOSA-N 355.373 2.320 30 40 FEEB CCc1c(C)sc2nc(SCC(=O)N(C)CCC#N)n(C)c(=O)c12 2635516 UHAAZADRCPKALJ-UHFFFAOYSA-N 364.496 2.330 30 40 FEEB COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@H](C#N)CCC#N)C1=O 53726766 GEBKLPAXGSSMTL-DJJJIMSYSA-N 352.394 2.222 30 40 FEEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)c2cccs2)CC1 55941555 BLYKNEZQXIJDIE-AWEZNQCLSA-N 368.462 2.405 30 40 FEEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)C1CC1 101300969 JJTZOTSSFWENJK-LTUGMUNRSA-N 370.883 2.351 30 40 FEEB C=CCN(C(=O)c1cnn(-c2ccccc2C)c1C)[C@@H]1CCS(=O)(=O)C1 58224556 QLNGWIUVKOMQNB-MRXNPFEDSA-N 373.478 2.304 30 40 FEEB COc1cc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc(Cl)c1O 100301794 DOAZLJJZTAJMSX-DQFLZGFTSA-N 372.808 2.441 30 40 FEEB COc1cccc(/C=N/n2c(S)nnc2-c2[nH]nc3c2CCC3)c1O 8685654 IOYWNWMGERDTEQ-CAOOACKPSA-N 356.411 2.042 30 40 FEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)c1 4474985 FMCNYTQYSYLTNI-FFCDPUSQSA-N 352.390 2.235 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)ccc1O 4832015 HIGSFETWXVOBRR-NQWZUSNRSA-N 352.390 2.322 30 40 FEEB COc1ccccc1NC(=O)/C(=C\NC(=S)c1ccncc1)C(C)=O 104304393 LYQYUESVQPSFJF-KAMYIIQDSA-N 355.419 2.467 30 40 FEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)CCc2nccs2)c1 58194222 LKANCKALKHJIKG-UHFFFAOYSA-N 354.409 2.208 30 40 FEEB Cc1nn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)c(=O)c(C#N)c1C 45821602 BIBNKVJRNIQUON-QFBILLFUSA-N 353.422 2.187 30 40 FEEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 13801240 LZLIOJWOCCZHBC-ZNMIVQPWSA-N 365.437 2.153 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 5516351 UTIBLNXEZQIYCS-SZGQWAQFSA-N 352.481 2.315 30 40 FEEB C=C(C)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 16246713 JHYYQMDSYIYACI-UHFFFAOYSA-N 352.456 2.270 30 40 FEEB CC[C@@H](NC[C@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)O 26920488 YRUXJRNAJLNUKP-SCLBCKFNSA-N 354.406 2.250 30 40 FEEB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 12552409 XINBAELJFKVZSQ-UHFFFAOYSA-N 350.421 2.153 30 40 FEEB C=C1[C@H]2C[C@@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@@H]54)[C@@H]1O 100784127 CBOSLVQFGANWTL-DLAHEAHCSA-N 357.494 2.000 30 40 FEEB biogenic Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cn2ccccc2n1 23022166 SROZXEVPMYIFGX-UHFFFAOYSA-N 350.426 2.310 30 40 FEEB COc1ccccc1OCCN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 58245192 YOAUTNDUKKNFKR-HXUWFJFHSA-N 365.389 2.413 30 40 FEEB CC[C@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C/[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 104194861 ABLNQMKQYJQVRR-HACQWBPUSA-N 362.422 2.260 30 40 FEEB Cc1ccc(CN2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101302014 FCXXMGFSPXNMQU-YTRIFDNDSA-N 366.508 2.248 30 40 FEEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1 6662046 URUKCVFNTVKTPL-HUUCEWRRSA-N 352.481 2.346 30 40 FEEB C=CCc1cc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc(OCC)c1O 408902253 MNKHIIBGFYRJND-GXDHUFHOSA-N 372.446 2.332 30 40 FEEB C=CCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(OC)cc2)c1 224275706 XDLZYWQADLHRPL-UHFFFAOYSA-N 360.435 2.436 30 40 FEEB COc1cc(N2CCN(c3nc4ccccc4cc3C#N)CC2=O)ccn1 1775973034 DOPOPPGQHHCUFD-UHFFFAOYSA-N 359.389 2.363 30 40 FEEB O=C(O)C[C@@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccccc2)C1=O 5681401 UYCVDGBRJLZKHP-JGWKNBOWSA-N 369.402 2.438 30 40 FEEB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@H]3N3CCCN23)cc1 19169565 BEKUHNVFELTGNQ-AABGKKOBSA-N 372.428 2.402 30 40 FEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCNC(=O)c1ccco1 32908632 CRVDWBRVEJAKJP-UHFFFAOYSA-N 352.350 2.003 30 40 FEEB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 7123367 NTEOPIWXKJNNCS-CQSZACIVSA-N 357.435 2.370 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)N(CCN(C)C)Cc1ccc(C)o1 58225319 HXMCLWAXLPBYMO-UHFFFAOYSA-N 371.437 2.438 30 40 FEEB Cn1cc([C@@H]2[C@H](C#N)[C@H](N)O[C@@H]3CC(C)(C)CC(=O)[C@@H]32)c(C(F)(F)F)n1 408717937 WBTSJQZSYFGMKH-XELZYWMFSA-N 370.375 2.351 30 40 FEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 5218764 ICXZTPMWPZHFED-SFHVURJKSA-N 365.380 2.156 30 40 FEEB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 6393709 LXFLEWOTIFHQQI-HXUWFJFHSA-N 363.373 2.297 30 40 FEEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cn1 9119225 BNDSBBAELNEXMH-UHFFFAOYSA-N 366.446 2.483 30 40 FEEB Cc1nn(C/C(N)=N/OC(=O)c2cccs2)c(C)c1Br 17073736 ZNCZOEJYXFJLEP-UHFFFAOYSA-N 357.233 2.453 30 40 FEEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 32504689 CKAKRWCZBZAMKP-NHYXNVPJSA-N 366.508 2.474 30 40 FEEB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1\SC(O)=N\C1=N/N 96306054 IJKSVBMQZQWAGY-WQLSENKSSA-N 357.395 2.323 30 40 FEEB CN1C[C@@]2(CN(Cc3cncs3)CC[C@@H]2O)O/C1=N/c1ccccc1 257314054 UVDGHCZHISOROX-PUQWBCSLSA-N 358.467 2.098 30 40 FEEB C[C@@](C#N)(NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1CC1 593442729 ZNEAKYWRDKNTEV-INIZCTEOSA-N 362.842 2.434 30 40 FEEB Cc1nocc1C(=O)N1CC[C@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1 585101615 SHXKUMGXMFALIC-IBGZPJMESA-N 350.378 2.124 30 40 FEEB C=CCn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)cn23)n(C)c1=O 10233475 FKZLLRZRUUUBJK-CQSZACIVSA-N 363.421 2.253 30 40 FEEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCN4CCOCC4)[C@H]3C[C@H]12 20410703 ZKEGPMBXUFJNDZ-TWHPPBISSA-N 362.514 2.222 30 40 FEEB biogenic CN(C)c1ccc(/C=N/NC(=N)N/N=C/c2ccc(N(C)C)cc2)cc1 5333984 DBTHUYFRHDODRL-JFMUQQRKSA-N 351.458 2.301 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 5489608 CVCNKGUARBFDBW-SZGQWAQFSA-N 352.481 2.315 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 5516188 PDXHWEYEOZMVCB-DDVQTAGUSA-N 358.872 2.351 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C 7361646 QSUYERYKGKCBIH-UHFFFAOYSA-N 360.435 2.477 30 40 FEEB COc1c2c(cc3c1[C@H](C/C(CCn1cccn1)=N/O)N(C)CC3)OCO2 33918679 QGFSLBRAWVJUHB-HBBMIWKISA-N 372.425 2.460 30 40 FEEB biogenic CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC#N)cc2)c1 223016656 DTGOPPXCVLNNDL-UHFFFAOYSA-N 373.434 2.312 30 40 FEEB C=CCNC(=S)Nc1ncc(Br)nc1Br 223919387 KEUDIGZTKNVIDB-UHFFFAOYSA-N 352.055 2.474 30 40 FEEB Cn1ccnc1[C@@H]1[C@@H](CNc2cc(C#N)ccn2)CCC(=O)N1C1CC1 596560904 AIMOTIWIARLLFE-KDOFPFPSSA-N 350.426 2.241 30 40 FEEB CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C)c(C#N)c2)s1 1250807714 BORZWBYDXGSJEW-UHFFFAOYSA-N 350.425 2.391 30 40 FEEB CCOC(=O)c1ccc2c(c1)CCCN2CC(=O)N[C@@](C)(C#N)C1CC1 79103680 PLKIQAQLHRNXKQ-FQEVSTJZSA-N 355.438 2.424 30 40 FEEB COc1cc(/C=N/c2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])cc1OC 1234450 IIAQUKNXQKOIOO-RQZCQDPDSA-N 365.367 2.010 30 40 FEEB CN(C)[C@@H](CNC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 23248932 GLWZIPRRGNMAPD-CTNGQTDRSA-N 353.466 2.385 30 40 FEEB CC(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 36386306 VISIOLNLYJBHCS-UHFFFAOYSA-N 371.485 2.194 30 40 FEEB N#Cc1cccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)c1 10959189 TYKURXSUQBTKKT-UHFFFAOYSA-N 352.419 2.282 30 40 FEEB COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCC(=O)O 408979280 MAIOXCRENPPTSG-UHFFFAOYSA-N 353.378 2.553 30 40 FEEB C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C 575424470 LOGDUKGFIIVITQ-INIZCTEOSA-N 357.497 2.057 30 40 FEEB N#CCS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 4272527 GMMWQCKIAVTOPB-UHFFFAOYSA-N 359.451 2.341 30 40 FEEB CCc1noc(C)c1/C(O)=N/S(=O)(=O)c1ccc(OC)cc1OC 48611710 IFEWHAMHSUGONZ-UHFFFAOYSA-N 354.384 2.256 30 40 FEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc3c2OCCO3)C1=O 58308118 SORMIKLJKALSDJ-HXUWFJFHSA-N 363.373 2.297 30 40 FEEB Cc1nn2cc(S(=O)(=O)N(C)c3cccc(C#N)c3)cnc2c1Cl 89534516 PHJKTWHDDWYVHZ-UHFFFAOYSA-N 361.814 2.388 30 40 FEEB Cn1cc(CC(=O)N2CC[C@H](Oc3nccnc3C#N)C2)c2ccccc21 225798404 ISSOMQBFLKTERX-HNNXBMFYSA-N 361.405 2.062 30 40 FEEB Cc1cc(S(=O)(=O)N2CCO[C@@H](Cc3ccccc3)C2)ccc1C#N 331445529 LLJFKPQISAOZDO-SFHVURJKSA-N 356.447 2.499 30 40 FEEB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(N)=S)cc2)cc1 408761207 CJSRIPGLRFONJV-RGVLZGJSSA-N 372.450 2.270 30 40 FEEB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cccc(C#N)c1 2654253 SBJICRQWJKKDJZ-UHFFFAOYSA-N 366.421 2.466 30 40 FEEB C[C@H]1CN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)CCO1 24044846 NAUCVQVORWEUIP-LBPRGKRZSA-N 358.467 2.081 30 40 FEEB Cc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cc2[N+](=O)[O-])cc1 24215548 ZNNZYKFKWVFTGN-UHFFFAOYSA-N 360.395 2.165 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309747 NRAWHIODSJYFAC-PTEUUULRSA-N 370.540 2.318 30 40 FEEB N#Cc1cccc(S(=O)(=O)N2CCC(c3nnc4ccccn34)CC2)c1 14121101 IAVWBOPQSBZAFR-UHFFFAOYSA-N 367.434 2.169 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 6610780 YWTZCPOWSZIYST-HXUWFJFHSA-N 371.437 2.020 30 40 FEEB C/C(=N\NC(=S)NCCCN1CCOCC1)c1cccc(Cl)c1 21274074 PWPVEZPVHZTPQE-CPNJWEJPSA-N 354.907 2.250 30 40 FEEB CN(C)[C@H](CNC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 23248935 GLWZIPRRGNMAPD-PZJWPPBQSA-N 353.466 2.385 30 40 FEEB Cc1c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[nH]c2c1C(=O)CCC2 31080088 UMOYXRLDIFPZSZ-UHFFFAOYSA-N 363.421 2.071 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)cc1 225679413 QJKHHQXIMVXNLX-HNNXBMFYSA-N 356.403 2.465 30 40 FEEB O/C(=N\c1nc(Cc2ccc(F)cc2)n[nH]1)C1(n2cnnn2)CCCCC1 95479416 LPYHEPNFEDBWAQ-UHFFFAOYSA-N 370.392 2.469 30 40 FEEB CCCCCn1c(N/N=C(\C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 8995164 OWONYKFKODVJKQ-LPYMAVHISA-N 368.441 2.450 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)NCCc2c[nH]c3ccccc23)C1=O 100158119 CICSXTQMBIVYNL-BMRADRMJSA-N 366.421 2.229 30 40 FEEB CC(C)c1noc(CN2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)n1 25063033 FJTUFYHUHGLVSM-UHFFFAOYSA-N 356.386 2.295 30 40 FEEB C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 56140043 NNVMXMBRYVUIMF-INIZCTEOSA-N 365.476 2.204 30 40 FEEB C=CCn1c(N)cc(=O)nc1S[C@H](CC)C(=O)Nc1ccccc1C#N 13945865 ORJPSLMTHKKKLX-CQSZACIVSA-N 369.450 2.393 30 40 FEEB O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 9244308 HBXVJLQBCYIYLC-LZYBPNLTSA-N 355.383 2.236 30 40 FEEB Cc1c(C(=O)O)nnn1-c1cccc2c1CCN(c1ncccc1C#N)C2 68589894 QHERJZDBJMCMML-UHFFFAOYSA-N 360.377 2.103 30 40 FEEB O=C(O)CCCNC[C@H](O)CON=C1c2ccccc2-c2ccccc21 26920496 KCYZEIXWWRJHLC-AWEZNQCLSA-N 354.406 2.251 30 40 FEEB N#Cc1ccccc1/N=C(\O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 82093507 FQZZRAJMPRNEMR-OAHLLOKOSA-N 373.434 2.429 30 40 FEEB C[C@](C#N)(NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1CC1 593442730 ZNEAKYWRDKNTEV-MRXNPFEDSA-N 362.842 2.434 30 40 FEEB Cc1cnc(OC[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)nc1 1775970783 QZDHNQCUDFGMBO-INIZCTEOSA-N 372.450 2.136 30 40 FEEB CCN(CCCNc1ccc(C#N)cc1Br)S(C)(=O)=O 95976199 DTSSTWDLCVSSTR-UHFFFAOYSA-N 360.277 2.404 30 40 FEEB COc1cc(/C=N/N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)ccc1O 5329578 DJKHQFIMQMHISN-QUYZQLMHSA-N 360.435 2.428 30 40 FEEB O=C1C[C@H](/C(O)=N/c2ncn[nH]2)CN1c1ccccc1Br 23140606 LWZHGGLIGRYJAZ-QMMMGPOBSA-N 350.176 2.208 30 40 FEEB Cc1ccccc1N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 24364527 VOHBOHBFQOBGSI-LJQANCHMSA-N 351.450 2.429 30 40 FEEB N#Cc1ccc(OCCOC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1 12558300 AVANLYXNPWPDPP-UHFFFAOYSA-N 371.349 2.106 30 40 FEEB CC(C)CN1C(=O)/C(=N\NC(=S)NC[C@H]2CCCO2)c2ccccc21 102976583 TXIACYXOXVJXTB-SFKFPXOQSA-N 360.483 2.036 30 40 FEEB C=CCN1/C(=N/C(=O)c2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@H]21 13629892 MWKQAZXCXUXNPE-OJVXUPTESA-N 370.883 2.237 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 5489874 HGUCMUSCDIICCD-SZGQWAQFSA-N 352.481 2.315 30 40 FEEB CCc1ccc(/C(O)=N/S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 89286573 QBJQHOYROWHBAS-LBPRGKRZSA-N 372.443 2.486 30 40 FEEB COc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408742670 XRHNSVGILGREQA-BKQORJHRSA-N 353.403 2.462 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3OC)C2=O)cc1 408529939 DKVRVZQCXKQTKP-AWEZNQCLSA-N 367.361 2.305 30 40 FEEB COc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c(OC)n1 569327745 GEBVDSMNCGREGG-UHFFFAOYSA-N 355.369 2.458 30 40 FEEB Cc1cc(N2C[C@@H](C(=O)O)CC2=O)ccc1-c1ccc(C#N)cc1CO 594871978 LLCISQFRSMGFBK-AWEZNQCLSA-N 350.374 2.464 30 40 FEEB C=CCn1c(N2CCC(C(=O)NCCN(C)C)CC2)nc2ccccc21 12221341 XLOXTKFXSGKYBU-UHFFFAOYSA-N 355.486 2.117 30 40 FEEB N#Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)c2ccccc2)cc1 60817200 ODWLIPAGYXHRHB-UHFFFAOYSA-N 371.462 2.086 30 40 FEEB CC(=O)N1CCc2cc(C(=O)NCCNc3cccc(F)c3C#N)ccc21 47332436 IYUHTBKOQQIMID-UHFFFAOYSA-N 366.396 2.448 30 40 FEEB C=CCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940318 XURKUBBUYPHTNU-SECBINFHSA-N 351.255 2.450 30 40 FEEB COc1ccc(C#N)cc1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583617975 PLZPICWSEKORLX-IBGZPJMESA-N 355.442 2.223 30 40 FEEB C/N=c1\scc(-c2ccc(O)cc2O)n1/N=C/c1c(C)nn(C)c1C 12796050 FBCWTKOHRFHKMR-MGBZWLPISA-N 357.439 2.391 30 40 FEEB COc1cc2c(c3oc(=O)c(CC(=O)NCC#N)c(C)c13)CCC(C)(C)O2 13690292 LVJFPYJQKYHFBR-UHFFFAOYSA-N 370.405 2.396 30 40 FEEB CN(C1CCN(Cc2ccc(C#N)cc2F)CC1)S(=O)(=O)C1CC1 2087144000 BSHLHCRORKJLFS-UHFFFAOYSA-N 351.447 2.086 30 40 FEEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 12338825 NHKAVJRAKOMJDN-SJKOYZFVSA-N 353.374 2.351 30 40 FEEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 102509812 HQAADPIQQKFDMO-RBFDBLARSA-N 353.334 2.474 30 40 FEEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc2c(c1)OCO2 870987 TWFVMOOKNAEREG-KRWDZBQOSA-N 352.346 2.295 30 40 FEEB CCOc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccccc1OC 6537638 FVPXEDLECZWODD-RGVLZGJSSA-N 373.434 2.480 30 40 FEEB CC1=C(C(N)=O)[C@H](c2ccc(C#N)cc2)N2NC(c3cccs3)=NC2=N1 940768 LAFOFRPQRDUTCD-HNNXBMFYSA-N 362.418 2.057 30 40 FEEB C=CCn1c(C)nnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 8855920 HFIPWZDKWDYZJY-UHFFFAOYSA-N 371.466 2.396 30 40 FEEB CCCOc1ccccc1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32858414 DEYZIHIEPCHJKT-UHFFFAOYSA-N 358.423 2.470 30 40 FEEB CCOC(=O)/C(=C\NCCS)C(=O)c1cc(F)c(F)c(F)c1F 255190251 VXDHUTDXKFJDNC-VURMDHGXSA-N 351.321 2.392 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(C(=O)NCC(F)(F)F)c1 40039169 KKFFBVXWSGGQCU-MRXNPFEDSA-N 370.375 2.445 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 101305546 AKJQTXLBCBVYOV-FZJVYVCZSA-N 352.481 2.397 30 40 FEEB CCOC(=O)N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 34886452 SGKOKQZRYMFOOP-UHFFFAOYSA-N 362.455 2.015 30 40 FEEB Cc1ccc(CN2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101301821 FDUFFMCEMHPSFI-NHYXNVPJSA-N 364.492 2.002 30 40 FEEB C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CCOC)c2)cc1 58159928 AXYKUALJZVOMTE-UHFFFAOYSA-N 358.402 2.481 30 40 FEEB CO[C@H](/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 83897634 PFMBUBWYNRCLHH-INIZCTEOSA-N 363.391 2.491 30 40 FEEB NC(=O)c1ccccc1OCC#CCNC(=O)c1c(F)cccc1Cl 85558762 KJKFAZDAEXYNDT-UHFFFAOYSA-N 360.772 2.390 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N\[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408537811 XJSHGUBCRVOOOU-XIWYBTTLSA-N 355.394 2.154 30 40 FEEB NCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 22079086 OFIMDJSHJPTAGE-MRXNPFEDSA-N 367.361 2.132 30 40 FEEB C=CCNC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 10210311 FLMTUUXUZKGAFT-ZDUSSCGKSA-N 361.398 2.290 30 40 FEEB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O 3462435 IYMGYFSFQDAJCI-HXUWFJFHSA-N 362.389 2.354 30 40 FEEB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N 9337071 BPJOODBZGJBIPZ-VIFPVBQESA-N 372.312 2.372 30 40 FEEB CC(C)c1nnc(CC/C(O)=N/S(=O)(=O)N2CCc3ccccc32)o1 80288068 XAIXZFYSRJEHTD-UHFFFAOYSA-N 364.427 2.390 30 40 FEEB COc1ccc(/C=N\NC(N)=S)cc1Oc1nc(Cl)ncc1F 409005617 FPKITVYPIYBJNX-DVZOWYKESA-N 355.782 2.237 30 40 FEEB C/C(CN1C(=O)c2ccccc2S1(=O)=O)=N\Nc1cccc([N+](=O)[O-])c1 5504647 KMRLPVGYTXLERD-GZTJUZNOSA-N 374.378 2.227 30 40 FEEB CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)O)cc2)[C@@H]1c1cccnc1 4574899 IFHXSEWEQBTMCF-QGZVFWFLSA-N 368.345 2.034 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccn2)cc1 13122783 YVFQGWLZSMAUIU-SUMWQHHRSA-N 352.390 2.349 30 40 FEEB N#Cc1ccc(F)c(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 9498273 IWRFWEJHWMHMFE-IBGZPJMESA-N 351.337 2.427 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)[C@@H](S(C)(=O)=O)[C@@H]1c1cccc(Cl)c1 218656904 BVRQXPLLGPJATG-XEZPLFJOSA-N 373.858 2.313 30 40 FEEB COc1ccc([C@H](CC(=O)Nc2cccc(C#N)c2)NS(C)(=O)=O)cc1 225953367 FILDWILFUBJQBN-KRWDZBQOSA-N 373.434 2.186 30 40 FEEB N#Cc1nccnc1N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889084251 XTVVNJISAQRGDH-FZMZJTMJSA-N 360.343 2.477 30 40 FEEB Cc1cc(N2C[C@@H]3CN(c4ncccc4C#N)C[C@H]3C2)n2nc(C)cc2n1 2298074400 DRMDBGVUTDFWQF-IAGOWNOFSA-N 359.437 2.185 30 40 FEEB N#Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 12806168 GBRCYQHLCWXXRL-UHFFFAOYSA-N 372.402 2.132 30 40 FEEB N#Cc1c(SCC(=O)NCC(=O)O)nc2c(c1C(F)(F)F)CCCC2 8382620 OJYXVLFMCAASDE-UHFFFAOYSA-N 373.356 2.144 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c1 25962795 QPIKYLWRHHGXHM-UHFFFAOYSA-N 354.406 2.292 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccsc1)C1=C(N2)c2ccccc2C1=O 3646257 UWPKEWROTLCVMD-LBPRGKRZSA-N 363.398 2.300 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2C#N)C1=O 408536949 UCTPHPIYNWBIFL-CYBMUJFWSA-N 362.345 2.168 30 40 FEEB N#CCCN(CCN1CCOCC1)Cc1c(F)cccc1N1CCCC1 89768115 CSEIMBUCJMBRLL-UHFFFAOYSA-N 360.477 2.474 30 40 FEEB CC(C)Nc1oc(-c2ccc(S(=O)(=O)N3CCCC3)o2)nc1C#N 71288924 PZLOVJSTHTVWFJ-UHFFFAOYSA-N 350.400 2.411 30 40 FEEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OCC#N)cc23)CC1 40286781 BYBNKTUOTPIHBV-IBGZPJMESA-N 368.437 2.390 30 40 FEEB N#Cc1ccccc1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1 32860343 PQUDELSXBBPIGF-UHFFFAOYSA-N 356.403 2.455 30 40 FEEB N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCC(C(N)=O)CC1 2400253 VZHXPXMMOJVOEZ-UHFFFAOYSA-N 360.801 2.480 30 40 FEEB COc1cccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)cc2)c1OC 42304662 SFBDKAUTNVBNEC-DHZHZOJOSA-N 372.402 2.094 30 40 FEEB Cc1ccc(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 47829801 MTHLEEPHZWNFLL-UHFFFAOYSA-N 374.448 2.321 30 40 FEEB Cc1cccc(OCC(=O)N2CCN(c3ncccc3C#N)CC2)c1C 23717354 SOCPJKPZTJVQQU-UHFFFAOYSA-N 350.422 2.298 30 40 FEEB Fc1ccc(N=c2[nH]c3nonc3[nH]c2=N/N=C/c2cccs2)cc1 408972414 BOHBNJXHPUJXNM-CAOOACKPSA-N 355.358 2.247 30 40 FEEB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCSC[C@@H]1C#N)CC2 95460637 UWLKMEKEYJBXDA-QWRGUYRKSA-N 370.400 2.376 30 40 FEEB CCC[C@H](C#N)NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 89949394 RFGXQOPKJJSDNG-LLVKDONJSA-N 351.359 2.051 30 40 FEEB C#CCOc1c(Br)cc(/C=N/n2cnnc2S)cc1OC 408814004 GOWBMFOQNWQSBW-FRKPEAEDSA-N 367.228 2.232 30 40 FEEB COc1cccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c1 34864602 NPNXAXCMSZIKRJ-UHFFFAOYSA-N 373.434 2.418 30 40 FEEB O=[N+]([O-])c1ccccc1/C=N/NC(=S)N/N=C/c1ccccc1[N+](=O)[O-] 1682556 MSEWEKWTCRFOSN-CZCYGEDCSA-N 372.366 2.335 30 40 FEEB COc1ccc(C(=O)/C=C\Nc2ccc(S(N)(=O)=O)cc2)cc1OC 100301624 ATRMMZPTDQVPTC-KTKRTIGZSA-N 362.407 2.160 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 100937583 MZQOWKNYSMRNTM-ZFHNCLSMSA-N 362.835 2.100 30 40 FEEB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)cc1 3332172 IEVWCVJKDFEFRU-SECBINFHSA-N 356.411 2.008 30 40 FEEB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 97377744 PHUKVJYQZGDXSQ-GUYCJALGSA-N 370.430 2.360 30 40 FEEB CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2COc3ccccc32)C1 95939162 UASSEQSMEWBRER-NWANDNLSSA-N 357.410 2.038 30 40 FEEB C=C(C)C(=O)Nc1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc1 217550111 HANVSQFUKNDXRD-LSDHHAIUSA-N 350.422 2.382 30 40 FEEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2S(=O)(=O)c1ccc(F)cc1 253375621 QKTRZPFMPHOOOW-XKQJLSEDSA-N 355.431 2.196 30 40 FEEB C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 602917497 FIOAXTQUGUZWTI-KMUNFCNLSA-N 369.824 2.299 30 40 FEEB C=CC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 1772493009 LSVIWPNZJIGKRQ-QFVMLBNVSA-N 367.513 2.255 30 40 FEEB COc1ccc([C@H]2NC(=O)C(=O)/C2=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 104083789 UAZWNBIVNYVZLW-DPEHCCBOSA-N 354.318 2.313 30 40 FEEB C=CCNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 3543888 PNVUWWUNRRWKNB-UHFFFAOYSA-N 352.847 2.442 30 40 FEEB O=C1[C@H]2[C@@H](C(=O)[C@@]3(c4cc(Cl)ccc4Cl)O[C@@H]13)[C@@H]1C[C@@H]2[C@H]2O[C@H]12 101459581 PTPJTLPLTXWJEC-SRHBFABBSA-N 351.185 2.389 30 40 FEEB Cc1ccc(CN2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101302020 FCXXMGFSPXNMQU-UICBKRPASA-N 366.508 2.248 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408537809 XJSHGUBCRVOOOU-PGZMYMDVSA-N 355.394 2.154 30 40 FEEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\C[C@H]3CCCO3)NC2=O)c(C)c1 7882655 RWKQZKHKTYGNDA-HIFRSBDPSA-N 361.467 2.399 30 40 FEEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)COCC)C2 585107467 WXGLHPFDYKSEBZ-FQEVSTJZSA-N 352.438 2.342 30 40 FEEB N#CCCN(Cc1ccco1)C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 21532041 XGMGCMXKLXKTMR-UHFFFAOYSA-N 370.340 2.178 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 226669038 KWYWMVFAEKHVOI-GOKJXQKXSA-N 361.195 2.429 30 40 FEEB N#Cc1cc2c(nc1N[C@H]1CCN(S(=O)(=O)c3ccccc3)C1)CCC2 329463135 QKXQPQRPJNDRNO-INIZCTEOSA-N 368.462 2.317 30 40 FEEB Cc1nc(N2CCO[C@@H](C(=O)N3CCCCC3)C2)c(C#N)c(C)c1Cl 1889108866 WNLGCROMOVFBQV-OAHLLOKOSA-N 362.861 2.441 30 40 FEEB Cc1cccc(OCCNC(=O)CO/N=C(\N)c2ccc(Cl)cc2)c1 21585856 YXKQULPGHWKTPV-UHFFFAOYSA-N 361.829 2.481 30 40 FEEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N[C@@H]1CCCc2ccccc21 40114670 UUFSYXYXXVZZQN-QGZVFWFLSA-N 361.405 2.351 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(O)c(OC)c1 102805700 LBRRCFCZCZHKAA-UYTDBDHRSA-N 373.361 2.062 30 40 FEEB COc1ccc(NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)cc1 23249143 AKUWTDRDVHQBPF-UHFFFAOYSA-N 364.449 2.323 30 40 FEEB COc1cc(/C=N/n2c(O)nc3c([nH]c4ccccc43)c2=O)ccc1O 2283905 HSWQFSVRAXQUDN-DJKKODMXSA-N 350.334 2.180 30 40 FEEB N#CCCNS(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 3416917 BZWORPHOIGBSEF-UHFFFAOYSA-N 369.402 2.107 30 40 FEEB C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 12900129 NHDJXRCRIOPCQH-KXBFYZLASA-N 363.421 2.229 30 40 FEEB C=C(C)C[C@@H]1N(CCc2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 4044177 PQWSQJPHBKAWTP-DLUQJKKWSA-N 353.418 2.431 30 40 FEEB biogenic C=CCn1c(=O)c2c(nc3n(Cc4ccccc4)c(C)c(C)n23)n(C)c1=O 4911984 XOOBQEIUBJDFFC-UHFFFAOYSA-N 363.421 2.001 30 40 FEEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)cc1 9414344 KCAJPIOFFBWMFC-QGZVFWFLSA-N 371.389 2.175 30 40 FEEB C/C(=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 15933610 SNRGODMAAFVTCL-YBEGLDIGSA-N 363.351 2.026 30 40 FEEB C=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007579 QEOKXKQKOFGVGW-QGZVFWFLSA-N 362.426 2.018 30 40 FEEB N#Cc1ccccc1CN[C@H]1CCc2onc(CN3CCOCC3)c2C1 2055734677 LAHLHWSEGZSISC-KRWDZBQOSA-N 352.438 2.026 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@]12C#N 103021044 PAVLOZGXEKMXSF-XBFCOCLRSA-N 351.193 2.428 30 40 FEEB NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 1677342 ZCSWBRADQTXXKX-UHFFFAOYSA-N 362.794 2.276 30 40 FEEB N#Cc1cccc(CN2CCC3(CC2)CC(NS(=O)(=O)C2CC2)C3)c1 108533735 FFPLXVMUGRRRQI-UHFFFAOYSA-N 359.495 2.385 30 40 FEEB Cc1cn2nc(N[C@@H]3CCN(c4ncc(C#N)cc4Cl)C3)ccc2n1 570386821 PFPJGGUQPFNROY-CYBMUJFWSA-N 353.817 2.649 30 40 FEEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C(=O)N2CCCC2)CC1 32858078 DMEIRTCNEQXMCX-OAHLLOKOSA-N 354.454 2.220 30 40 FEEB N#Cc1c(NC(=O)CN2CCN(CC(F)(F)F)CC2)sc2c1CCC2 23249056 BAQIRNNJULOJAT-UHFFFAOYSA-N 372.416 2.227 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@]12C#N 103021048 PAVLOZGXEKMXSF-KWCYVHTRSA-N 351.193 2.428 30 40 FEEB O=c1ccc(-c2cccs2)nn1C/C(O)=N/c1nc(C(F)(F)F)n[nH]1 95476872 NNHHGFFNSBSDQI-UHFFFAOYSA-N 370.316 2.397 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2cc(C)ccc2C)n(C)c1=O 9156998 WOBDKPMDWVALLN-UHFFFAOYSA-N 365.437 2.241 30 40 FEEB CCn1c(S)nc2cc(C(=O)NCC#Cc3ccccc3)ccc2c1=O 102725262 JPKXFXFTRSYWFY-UHFFFAOYSA-N 363.442 2.487 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 101313027 UTIBLNXEZQIYCS-OVZRNVPMSA-N 352.481 2.315 30 40 FEEB C=CCN1CCN([C@@H](c2ccccc2OC)c2nnnn2C(C)(C)C)CC1 20139578 TZKYDMSVAHKCBR-SFHVURJKSA-N 370.501 2.330 30 40 FEEB C=C[C@@H](C)n1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 13813964 PYZMRVZMORERQL-CYBMUJFWSA-N 351.410 2.104 30 40 FEEB O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)nc1 408910922 LZSPDYFBUCDZIY-VCHYOVAHSA-N 372.341 2.181 30 40 FEEB COc1ccccc1N=C[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408534825 MNKMSZGMKAZJLM-XPCVCDNBSA-N 355.394 2.281 30 40 FEEB C#CC(C)(C)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248230352 ABSFHWNDWNMKMP-RWYMCCIASA-N 352.434 2.469 30 40 FEEB C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2S(=O)(=O)c1ccccc1F 253376783 UYXXCVPIYPDMDW-LXZKKBNFSA-N 355.431 2.196 30 40 FEEB N#CCCN1CCN(C2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)CC1 20029067 CRINVWTYLNXYIB-NTCAYCPXSA-N 371.422 2.096 30 40 FEEB CCOc1cc(/C=N\Nc2cnnc(O)c2Br)ccc1O 31858812 IKPFQJRKKPZUDG-UUASQNMZSA-N 353.176 2.495 30 40 FEEB C=CCNC(=O)[C@H](C)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27303325 NJFDJEVKFRPOHY-LBPRGKRZSA-N 357.376 2.101 30 40 FEEB C=CCn1c(N)cc(=O)nc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 10257359 VKNRKMDJHRZLGZ-SNVBAGLBSA-N 355.423 2.101 30 40 FEEB CC(C)c1nnc(SCC(=O)N(CCC#N)c2ccccc2F)n1N 3318228 ZTNDYNUCOKIENC-UHFFFAOYSA-N 362.434 2.293 30 40 FEEB COc1ccc(CCN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1OC 7377946 DTRTZZPLUBHMKC-UHFFFAOYSA-N 360.435 2.439 30 40 FEEB COc1ccc([C@@]2(O)CC(C)=NN2C(=O)COc2ccc(C#N)cc2)cc1 408563539 MWNQGCAKSLWFIM-FQEVSTJZSA-N 365.389 2.399 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 101302468 YOXNFYGTYFAVEN-FDZCQIIBSA-N 352.481 2.431 30 40 FEEB Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)nn1-c1ccccc1 107785640 KUKIHKBCPCFGSL-UHFFFAOYSA-N 372.432 2.410 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 5391887 YGJTXASSBDERHH-UHFFFAOYSA-N 352.803 2.494 30 40 FEEB C#CCOc1c(Cl)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC 409026086 FTKHHVNWRCYXRW-JYRVWZFOSA-N 364.810 2.467 30 40 FEEB Cc1c(C#N)c(N2CCC[C@@H](S(=O)(=O)N(C)C)C2)nc2ccccc12 295704010 QIKDTLHHGOFIKT-CQSZACIVSA-N 358.467 2.275 30 40 FEEB CC1(C)OB(C2=CCN(C(=O)Cc3ccccc3C(N)=O)CC2)OC1(C)C 1776000357 WXTHSNNESCOKFR-UHFFFAOYSA-N 370.258 2.118 30 40 FEEB C=CCc1cc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc(OC)c1OC 19549461 CFXULQAHMZDUGC-MOPGFXCFSA-N 360.498 2.463 30 40 FEEB C=CCN(Cc1ccccc1F)C(=O)Cc1c(C)nc2nc(N)nn2c1C 58202869 RGMRSLAPHIRNHQ-UHFFFAOYSA-N 368.416 2.220 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 5573051 WLPBEPHDACUUEX-SZGQWAQFSA-N 352.481 2.084 30 40 FEEB CCOC(=O)[C@H](CC/C(O)=C/[S+](C)(C)=O)NC(=O)OC(C)(C)C 585671918 GJEMACVDVHPUAX-LBPRGKRZSA-O 350.457 2.382 30 40 FEEB N#Cc1nc([C@H]2C[C@H]2c2cccc(F)c2)oc1N1CCN(C(N)=O)CC1 1775975311 HBKNILGXUNJHRQ-KBPBESRZSA-N 355.373 2.157 30 40 FEEB N#Cc1ccc(CN2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1 23249144 PKNXJNKNEWMQCU-UHFFFAOYSA-N 359.433 2.186 30 40 FEEB C=CCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2CC(N)=O)c1C 23351102 DPBAZPOQXYVAOM-UHFFFAOYSA-N 373.482 2.220 30 40 FEEB CN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(F)cc1 8126554 CIZIZGJXUSVCMD-UHFFFAOYSA-N 361.398 2.151 30 40 FEEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3nccs3)c2)c1 3298743 QSXLTFLMENFXJI-UHFFFAOYSA-N 353.359 2.111 30 40 FEEB COc1ccc(N2C[C@H](/C(O)=N/c3nc(C(F)(F)F)n[nH]3)CC2=O)cc1 26251547 DHOPZARVVUQJTO-MRVPVSSYSA-N 369.303 2.473 30 40 FEEB C=CCOc1ccc(C(=O)N2CCO[C@H](c3noc(C)n3)C2)cc1OC 95468228 XLSDNUOVEDKLBB-INIZCTEOSA-N 359.382 2.165 30 40 FEEB C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OCC 409134204 NEAUZRFQRABHAX-NTEUORMPSA-N 361.375 2.218 30 40 FEEB C=CCn1c(S[C@@H](C)C(=O)NC(=O)NC)nnc1C1CCCCC1 8395226 JNPIFGFBWIPGMI-NSHDSACASA-N 351.476 2.448 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)ccc1OC 409049002 VKSPXSQVUDDLCK-PKKPIOHMSA-N 366.417 2.481 30 40 FEEB COc1ccccc1C/N=C\[C@H]1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408534984 NEKADWMBDBCLJG-IXGURIBZSA-N 365.389 2.474 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCCc1ccccc1 73743369 LQNLZZFJQDMHPO-UHFFFAOYSA-N 365.433 2.290 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225668402 PBQBRRSSGBNDSA-HDMKZQKVSA-N 367.467 2.358 30 40 FEEB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@H](c2ccccc2)NC(=O)N1 12417439 LMVWGNJWHJDTLA-HNNXBMFYSA-N 354.337 2.490 30 40 FEEB COc1ccccc1N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 25703093 IPYFGELOQGNVGL-SFHVURJKSA-N 367.449 2.129 30 40 FEEB CC(=O)NCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 101478515 ATDOOLMKUSKGCA-GHNGSUTGSA-N 364.401 2.244 30 40 FEEB COc1ccc2cc(C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)[nH]c2c1 225801074 QJOBUAUPPRHDPN-CQSZACIVSA-N 363.377 2.132 30 40 FEEB CC(=O)c1cccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)c1 85470674 AOZTYYFIKYQEDI-UHFFFAOYSA-N 370.474 2.303 30 40 FEEB CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)c1cccc(C#N)c1 585797551 YKMXMWGXWLGGAI-PKOBYXMFSA-N 351.454 2.447 30 40 FEEB CCOC(=O)/C(=N\Nc1cc(-c2ccccc2)on1)C1=NC(=O)CS1 5472349 RVADGGSQSKBAQN-RGEXLXHISA-N 358.379 2.345 30 40 FEEB O=C1C(=O)N(CCO)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1 104078647 ATAQSGQWQLBMHU-UYTDBDHRSA-N 368.345 2.009 30 40 FEEB CN(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)n1CC#N 53134832 ZRJCNGWMAMJTTD-UHFFFAOYSA-N 362.389 2.281 30 40 FEEB C[C@@](C#N)(NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1)C1CC1 22797753 UNXGYINERBQWTK-FERLCFGISA-N 352.482 2.126 30 40 FEEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)C(C(=O)OC)=C(C)N2 4292276 GTHNEOOWZXFFLW-CYBMUJFWSA-N 370.434 2.447 30 40 FEEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc2c(c1)OCO2 4944628 RNCINSHWJTZWIQ-NSHDSACASA-N 371.418 2.261 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12 58161762 WLNAFEBHALSIFQ-UHFFFAOYSA-N 356.407 2.280 30 40 FEEB Cc1ccc([C@@H](CNC(=O)COc2ccc(C#N)cc2)N2CCOCC2)o1 12622973 KBXRBKAQYLSBEV-GOSISDBHSA-N 369.421 2.028 30 40 FEEB COCCNC(=S)N/N=C/c1cc2ccc(OC)cc2nc1Cl 3330212 VOBQLXXAUHFRJX-GIJQJNRQSA-N 352.847 2.341 30 40 FEEB C[C@](C#N)(NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 72952782 SLTSERDVHMBIKL-FXAWDEMLSA-N 357.454 2.182 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC(=O)Nc1ccccc1Cl 7017640 FVLCPZUMGNSRDR-QGZVFWFLSA-N 350.850 2.265 30 40 FEEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccnc1)c1ccco1 795073 BAFMZRSIUKAOJC-CZUORRHYSA-N 354.362 2.432 30 40 FEEB CC(C)n1c2ccccc2n2c(=O)c(=O)n(Cc3ccc(C#N)cc3)nc12 1332658 GZKCROFJIVQEDR-UHFFFAOYSA-N 359.389 2.312 30 40 FEEB COc1ccc(OC)c(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)c1 48493292 VKHLJIFQSHSVMA-UHFFFAOYSA-N 363.391 2.332 30 40 FEEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1cccnc1 223735894 NZSOULSUGRKTSC-FXBPSFAMSA-N 370.434 2.377 30 40 FEEB C#CCN(C)Cc1nc(C2(O)CCN(Cc3ccccc3O)CC2)cs1 225469882 IDQTVQSVIVADAR-UHFFFAOYSA-N 371.506 2.397 30 40 FEEB biogenic,in-vitro COc1cccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)c1OCC#N 96193432 SJVKDLVDNHQGML-UHFFFAOYSA-N 369.381 2.252 30 40 FEEB CCN1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)CC1 20756445 OURZJOAJOVHDAD-BJFZXJCHSA-N 362.514 2.149 30 40 FEEB biogenic Cc1[nH]c(=O)nc(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)c1C#N 32776409 ANLQTVOBXTWIRZ-QMMMGPOBSA-N 364.377 2.198 30 40 FEEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\CC(C)C)NC2=O)c([N+](=O)[O-])c1 7883486 FXNLCPBZXBXNCT-ZDUSSCGKSA-N 364.427 2.475 30 40 FEEB COc1cccc(S(=O)(=O)/N=C(\O)[C@H](C)NC(=O)OC(C)(C)C)c1 58187278 JEBXUFCCTGNUHV-JTQLQIEISA-N 358.416 2.254 30 40 FEEB C=CCOc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 58202989 JPUBPAHBFGZKOS-UHFFFAOYSA-N 366.465 2.328 30 40 FEEB N=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)N[N+](=O)[O-] 2190225 MQTAMCIMQZJDTP-GIDUJCDVSA-N 352.694 2.148 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C/N[C@H](CC)Cc2c[nH]c3ccccc23)C1=O 19943247 AFGPOBMSOGZVCB-IZCBMXNHSA-N 366.421 2.227 30 40 FEEB C[C@@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 83862120 QOORDKBFKYMFAT-GXZKMCQRSA-N 370.449 2.325 30 40 FEEB N#Cc1cccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCOCC2)c1 226753073 DJMJNESGMHDGDA-CZIZESTLSA-N 355.419 2.026 30 40 FEEB CC[C@H](C)NC(=S)N(C)CCc1cc2c(c(OC)c1/C=N/O)OCO2 100755430 ZPWIBHPEJSDTOH-KECVIQKOSA-N 367.471 2.379 30 40 FEEB biogenic Cc1cncc(O[C@H]2CCOC3(C2)CN(C(=O)c2cccc(C#N)c2)C3)n1 575406552 YYORRMOATJWIQP-KRWDZBQOSA-N 364.405 2.109 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1 102929136 NGSKKYDYXYUZOQ-IDTYTIONSA-N 372.333 2.256 30 40 FEEB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNc1cccc(C#N)c1)n2CC 12530508 LMMZLZGLDHVKOT-UHFFFAOYSA-N 366.425 2.190 30 40 FEEB Cc1cccc(C)c1N1/C(=N\C(=O)C2CC2)S[C@@H]2CS(=O)(=O)C[C@H]21 101309928 ZXBUIWMTCGXPMT-RUIRWZRLSA-N 364.492 2.315 30 40 FEEB C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(C)no1 58168807 KTZBAAJFGLKRAU-UHFFFAOYSA-N 370.438 2.477 30 40 FEEB CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cscn1 58201262 JEKUEUDQJNJJLQ-UHFFFAOYSA-N 352.423 2.271 30 40 FEEB CN1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 22926880 PYQHUAKAECCZRV-IFMALSPDSA-N 365.477 2.481 30 40 FEEB C[C@@H](C(=O)Nc1sccc1C#N)N(C)Cc1nc2ccccc2c(=O)[nH]1 14136248 PTIHMOOVYFJCGK-NSHDSACASA-N 367.434 2.315 30 40 FEEB CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)c1nccnc1C#N 107895800 COMSRBXONQANEG-IBGZPJMESA-N 351.454 2.230 30 40 FEEB C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1CC(F)(F)F 58209277 FKKYWQBNVYHGEJ-JTQLQIEISA-N 369.372 2.132 30 40 FEEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1OC(C)=O 409344938 KDYPQHXMVCLKNY-UHFFFAOYSA-N 367.361 2.308 30 40 FEEB CCOC(=O)CSc1nc(N)c(C#N)c(C(=O)c2ccccc2)c1C#N 66087543 WCYGHQFVQISFTC-UHFFFAOYSA-N 366.402 2.293 30 40 FEEB N#C[C@H](C(=O)NC1CC1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 103504819 PPWLUJAGELQSBO-ZDUSSCGKSA-N 352.369 2.101 30 40 FEEB COc1ccc(Cl)cc1NC(=O)N(C)C1CN(c2nccnc2C#N)C1 1775973064 GVORZIFSKXIBRV-UHFFFAOYSA-N 372.816 2.363 30 40 FEEB C#CCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cc(F)cc(F)c21 100875970 JMYSXLKJCGNYAJ-MNDPQUGUSA-N 362.361 2.097 30 40 FEEB C[C@@H]1C[C@@H](C)CN(CCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 40110358 BSPSECGNRGDNHD-IAGOWNOFSA-N 369.513 2.264 30 40 FEEB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C#N)C2=O 3307308 BYPMDTSKFLZLHH-UHFFFAOYSA-N 354.410 2.388 30 40 FEEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCCC[C@@H]3CO)C(=O)O[C@@H]1C2 6623742 VQSWXEJDECKEJC-UJXCDSABSA-N 363.498 2.360 30 40 FEEB biogenic O=C(C[C@@H]1S/C(=N\C[C@@H]2CCCO2)NC1=O)Nc1ccccc1Cl 7882661 KONTYCRNYKVDPV-GWCFXTLKSA-N 367.858 2.435 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3C2CCCCC2)n(C)c1=O 8708923 HGOANKQBDBFUPD-CQSZACIVSA-N 371.485 2.262 30 40 FEEB COc1ccccc1N1C[C@@H](/C(O)=N/c2nc([C@H]3CCCO3)n[nH]2)CC1=O 95475697 VDBZGUMRDQJGPD-SMDDNHRTSA-N 371.397 2.306 30 40 FEEB N#CCN(C(=O)COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)c1ccccc1 102834045 MQNWBJNFCWCBOR-HUUCEWRRSA-N 354.406 2.482 30 40 FEEB CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 225504669 BBVCSHLETLLWLG-INIZCTEOSA-N 351.410 2.098 30 40 FEEB N#Cc1cc(F)ccc1CS(=O)(=O)N1CCO[C@H](CC(F)(F)F)C1 595397681 WXDYMXDBJQQXSN-CYBMUJFWSA-N 366.336 2.180 30 40 FEEB CC(=O)c1sc(NC(=O)CN2C(=O)C(=O)c3ccccc32)c(C#N)c1C 6200484 RFERTCMJLFGCRP-UHFFFAOYSA-N 367.386 2.299 30 40 FEEB CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 7751839 DHKZYKRAZURFPA-UHFFFAOYSA-N 363.417 2.488 30 40 FEEB Cc1nonc1CN1CCN(c2oc(-c3cccs3)nc2C#N)CC1 35671026 YWDMPEJHIUOOGU-UHFFFAOYSA-N 356.411 2.288 30 40 FEEB C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)NC(N)=O 58197504 SOPIKYSWCQGVNF-VIFPVBQESA-N 358.211 2.160 30 40 FEEB C[C@]12CN(/N=C/c3ccc4c(c3)OCCO4)[C@]3(C(N)=O)C[C@H]1CC[C@@]23C 100920507 HYDLBECAYASHLH-PWGJNGOUSA-N 355.438 2.158 30 40 FEEB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccc(C#N)cc1 12926454 OJOJFENOAZPMSF-NSHDSACASA-N 352.350 2.233 30 40 FEEB C=CCc1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc(OCC)c1OC 409393719 ZGTPAVLNKXGHPD-GXDHUFHOSA-N 374.462 2.469 30 40 FEEB COc1ccccc1N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 14095245 GCBVZHIAMFGGOT-UHFFFAOYSA-N 356.470 2.160 30 40 FEEB Cc1ccc(CN2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 5342060 FCXXMGFSPXNMQU-MPOGACDISA-N 366.508 2.248 30 40 FEEB CCOc1ccccc1N/N=C1\C(=O)N(C(N)=S)N=C1c1ccccc1 5444720 KXUZJCHBGQWELR-PGMHBOJBSA-N 367.434 2.343 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 24002088 ARVNTPVEWOQWOR-UHFFFAOYSA-N 374.441 2.220 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccncc2)cc1F 16751363 ODSKLLDVJSMXON-INIZCTEOSA-N 356.353 2.100 30 40 FEEB COc1cccc(-n2nc3c(-n4ncc(C#N)c4N)nnc(C)c3c2C)c1 642643 KSYGYPDSABAWNH-UHFFFAOYSA-N 360.381 2.081 30 40 FEEB CCn1c(=O)/c(=C/c2sccc2C)s/c1=C(\C#N)C(=O)C(C)(C)C 105629130 KQMVYUWVSPJURY-XNCNVXHCSA-N 360.504 2.418 30 40 FEEB COc1ccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@@H]2[N+](=O)[O-])cc1OC 100254763 SQELQUHJHUVMQU-HUUCEWRRSA-N 360.370 2.211 30 40 FEEB C=CCN(CC=C)C(=O)COC(=O)c1sc2nc(C)nc(C)c2c1N 12854278 XIQBFVOVWKYKJA-UHFFFAOYSA-N 360.439 2.248 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN)[C@H]2c2cccnc2)cc1 3766477 DMYRAWAIWCUEMX-KRWDZBQOSA-N 367.405 2.017 30 40 FEEB N#Cc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 4673168 AOTOIIMEYCWYQP-KGENOOAVSA-N 362.441 2.390 30 40 FEEB Cc1nc([C@@H](C)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n[nH]1 591016825 TYSUDVXGKQLTHE-LLVKDONJSA-N 353.386 2.116 30 40 FEEB C=CCCCN1CCO[C@@](C)(CNC(=O)c2cccc3ncn(C)c23)C1 1615610932 ROWKBJWQKRKETM-FQEVSTJZSA-N 356.470 2.360 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)c3nc4ccccn4c3C)C[C@H]2C)C1=O 1614932595 BHFRNAJSQDMYSK-JLTOFOAXSA-N 352.438 2.139 30 40 FEEB N#Cc1ncn(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)n1 21914957 CUYLJFNVWIBTMF-UHFFFAOYSA-N 352.423 2.166 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 101300347 CEACFUDOXMKWEQ-YXEAAEFPSA-N 356.444 2.227 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H](C)c1ccccc1 11999720 JEFCIQGMPRZLGF-CSEMXMJXSA-N 352.481 2.255 30 40 FEEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)cc1 9356619 KCAJPIOFFBWMFC-KRWDZBQOSA-N 371.389 2.175 30 40 FEEB COc1ccc(OC)c(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 75104842 HMLCGGHITPADCK-UHFFFAOYSA-N 364.427 2.328 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 32506195 OHIXNIFYWWSXSB-LPNISAENSA-N 352.481 2.334 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(OC)c3)C2=O)cc1 408535906 OZMUVYFCMUWOFD-INIZCTEOSA-N 367.361 2.305 30 40 FEEB C=C1C(=O)O[C@@H]2C/C(C)=C\C(=O)/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H]12 31163692 BIHIEAXOTSXYAE-NAGHFMSUSA-N 360.406 2.189 30 40 FEEB biogenic,in-vitro O=C1CCc2cc(S(=O)(=O)/N=C(\O)c3ccc4c(c3)COC4)ccc2N1 50205172 KEEFZVBXQHUFFE-UHFFFAOYSA-N 372.402 2.295 30 40 FEEB COc1ccc([C@H]2c3cnn(C(C)C)c3NC(=O)[C@@H]2[N+](=O)[O-])cc1OC 100254760 SQELQUHJHUVMQU-LSDHHAIUSA-N 360.370 2.211 30 40 FEEB Brc1cc(/C=N/n2cnnc2)oc1I 1102246 YEKBIAJOCAHAKZ-SWGQDTFXSA-N 366.944 2.120 30 40 FEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)c2sc(C)nc2C)c1 58188762 WYCRECRLCVKVOB-UHFFFAOYSA-N 354.409 2.240 30 40 FEEB CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)c2c(n[nH]c2O)C[C@]1(C)O 106823168 WCUPRTCWMOCUQC-UVFQYZLESA-N 369.421 2.384 30 40 FEEB C=CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409408919 ZVWYNQLYVQJNBA-DFEHZGFQSA-N 352.390 2.401 30 40 FEEB CC(=O)N1CC(OCC(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 585088633 OHGKSENPCLSZHL-UHFFFAOYSA-N 355.419 2.473 30 40 FEEB CC1(C)OB([C@@H]2CCN(C(=O)Cc3ccc4c(c3)NC(=O)C4)C2)OC1(C)C 1776007566 MATQZGPORMTGPH-OAHLLOKOSA-N 370.258 2.418 30 40 FEEB Cn1ccnc1CN1CCCC[C@@H]1c1cnc(Nc2ccc(C#N)nc2)cn1 585294009 MTUIJJPUPUDEIR-GOSISDBHSA-N 374.452 2.948 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1ccccn1 5799896 QQUMZYCTMGUMCU-HVESIFNPSA-N 369.396 2.204 30 40 FEEB CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[C@H](C#N)C(=O)C1CC1 100590227 ZTTKDUXKVPEXCG-LLVKDONJSA-N 359.325 2.410 30 40 FEEB in-vitro Cc1ccc(/N=C/c2ccccc2O)cc1S(=O)(=O)N1CCOCC1 4976538 IGAIJNYUOQIRAI-CPNJWEJPSA-N 360.435 2.472 30 40 FEEB C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 5437843 ZNWUPLKMDQNLMQ-UHFFFAOYSA-N 356.451 2.477 30 40 FEEB C=CCNC(=O)CN1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1 40105882 YVQJXYKDHWZWLR-UHFFFAOYSA-N 369.387 2.156 30 40 FEEB COc1ccccc1C1(CNS(=O)(=O)N(C)CCC#N)CCCC1 53685973 CJNFUFXCEHTASX-UHFFFAOYSA-N 351.472 2.187 30 40 FEEB C/C(=N/OC(=O)N(C)C)c1ncc(C(F)(F)F)cc1N1CCOCC1 1395216 WHJXDKRNZWWSSU-JMIUGGIZSA-N 360.336 2.359 30 40 FEEB C=CCN1CCN([C@H](c2ccccc2OC)c2nnnn2C(C)(C)C)CC1 20139575 TZKYDMSVAHKCBR-GOSISDBHSA-N 370.501 2.330 30 40 FEEB CCc1cnc(N2CC[C@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)nc1 107226283 SWRFNEYPUJDLLF-APWZRJJASA-N 350.426 2.156 30 40 FEEB CC/C(C)=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl 4730548 OKRMKCRRMWDNQX-UFFVCSGVSA-N 374.832 2.323 30 40 FEEB Cc1cc(Nc2nc(C(=O)O)cs2)nc([C@@H]2CCCN(CC#N)C2)n1 585290020 PYMDVJZHMRVQHK-LLVKDONJSA-N 358.427 2.386 30 40 FEEB C=CCn1c(C)cc(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)c1C 12815313 DQIKXJHPFVODGM-UHFFFAOYSA-N 365.393 2.306 30 40 FEEB Cc1cc2ccccc2n1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 160863611 LVTXBRIEEKPVHA-INIZCTEOSA-N 374.448 2.349 30 40 FEEB C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(F)c1 20170562 MXOAWQUXHMFYPU-UHFFFAOYSA-N 362.430 2.221 30 40 FEEB C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 22406739 UZXTZNIHRAFQRU-UKRRQHHQSA-N 366.483 2.468 30 40 FEEB CN1/C(=C\c2ccc3c(c2)OCCO3)C(=O)c2ccccc2S1(=O)=O 9047776 SUQYBNGKCPLBDN-UVTDQMKNSA-N 357.387 2.316 30 40 FEEB COc1cccc2[nH]c3c(=O)n(/N=C/c4ccccc4F)c(=O)[nH]c3c12 4928081 LSVWDLWQGGCHNR-AWQFTUOYSA-N 352.325 2.201 30 40 FEEB C[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1C#N 8282013 PKAGWJSLCPJNMI-PXAZEXFGSA-N 352.346 2.268 30 40 FEEB COC(=O)c1cc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1OC 18060214 PEWCIQVGMINQQO-CYBMUJFWSA-N 368.389 2.437 30 40 FEEB COCCN1CC[C@@]2(CCCN(C(=O)c3ccc(C#N)cc3)CC2)C1=O 108532044 GTKFFGYDXFZUNC-FQEVSTJZSA-N 355.438 2.049 30 40 FEEB Cc1ccc(CCC2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 58369400 CHHRFEGBQHUMCE-UHFFFAOYSA-N 366.465 2.113 30 40 FEEB C=CCN(CC=C)C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 5679738 VADUKSUTNFNSSL-GOSISDBHSA-N 359.451 2.032 30 40 FEEB COc1cccc(N2CCN(c3nn(-c4ccccc4)nc3C#N)CC2)c1 8694301 VPXIHVIQAKANDY-UHFFFAOYSA-N 360.421 2.474 30 40 FEEB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCCNc2ncccc2C#N)C1 76083110 UXWRWKCOKJBZEW-UKRRQHHQSA-N 373.457 2.175 30 40 FEEB COc1ccc([C@@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1OC 65740508 KRMDPFKZWGKXAY-HNNXBMFYSA-N 352.408 2.451 30 40 FEEB in-vitro N#Cc1ccccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)O)C1=O 17877389 MMWMFNWOMDJMKI-ZDUSSCGKSA-N 353.359 2.076 30 40 FEEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)C1CC1 5270138 JJTZOTSSFWENJK-OVJMFRMASA-N 370.883 2.351 30 40 FEEB CN(C)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 32277471 NDVMHEWNAMFYPC-GOSISDBHSA-N 367.428 2.309 30 40 FEEB N#Cc1c(NC(=O)NCc2ccc3c(c2)OCO3)sc2c1CCNC2 40151634 CVLYWGRSFOODCX-UHFFFAOYSA-N 356.407 2.316 30 40 FEEB CCOC(=O)c1sc(N)c(C#N)c1Cn1cnc2sccc2c1=O 31641060 CQEUELUYRVGDSW-UHFFFAOYSA-N 360.420 2.198 30 40 FEEB C=CCN(CC=C)C[C@@H](O)Cn1c2c(c3ccccc31)CCN(C)C2=O 1106024 XSHTYTJOSPFREE-MRXNPFEDSA-N 353.466 2.304 30 40 FEEB biogenic Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101305683 SOARKYOVDDPMDH-QLXQBBHQSA-N 350.465 2.006 30 40 FEEB NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1c1ccccc1Cl 9088428 VKDFZFCSFCVCJE-UHFFFAOYSA-N 352.781 2.293 30 40 FEEB O=S(=O)(/N=C(\O)c1ccc2c(c1)CCO2)c1ccc2c(c1)OCCO2 48461889 WTAKDZUJZRXBNP-UHFFFAOYSA-N 361.375 2.086 30 40 FEEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cnc3ccccc3n2)n1 9254318 YMYZPWPTPAVSRF-NSHDSACASA-N 352.375 2.428 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 6658540 GCPMYUYAAISWPX-JBYPSWIKSA-N 352.481 2.431 30 40 FEEB Cc1ccc(N2C(=O)N(CC(=O)NC3(C#N)CCCCC3)C(=O)[C@@H]2C)cc1 7018916 JEBYCOLJYFYSED-HNNXBMFYSA-N 368.437 2.495 30 40 FEEB CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 31610498 TYYPTSMTPZBURB-LLVKDONJSA-N 372.450 2.324 30 40 FEEB CCOc1ccc(/C=N/Nc2cc(N3CCOCC3)nc(C)n2)c(O)c1 5003253 KPAUTAHWECOLGM-XDHOZWIPSA-N 357.414 2.172 30 40 FEEB O=C(O)COc1ccccc1/C=N\N1CCN(Cc2ccccc2)CC1 11612220 IOSKDDSUQPGRIV-STZFKDTASA-N 353.422 2.302 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)c(OC)c1 100058638 USHYQJVTSVUMHD-REUQVWNUSA-N 352.390 2.235 30 40 FEEB N#Cc1c(F)cccc1N1CCN(CC(=O)NCc2cccs2)CC1 32913765 YAIOVLOWEVFHSH-UHFFFAOYSA-N 358.442 2.197 30 40 FEEB N#Cc1cccc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 11253369 PDIIPJYKRXXMQP-SFHVURJKSA-N 369.446 2.190 30 40 FEEB O=C1NC(=O)[C@H]([N+](=O)[O-])[C@@H](/C=C/c2ccc(OCc3ccccc3)cc2)N1 6223261 LOCSSCIIUYAGTP-ZJJGVRJWSA-N 367.361 2.132 30 40 FEEB N#Cc1nccnc1N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889084253 XTVVNJISAQRGDH-SMDDNHRTSA-N 360.343 2.477 30 40 FEEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(=O)O)cc1 20611665 WQHFNPMNTUUPBO-QGZVFWFLSA-N 367.357 2.358 30 40 FEEB biogenic Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 6654140 QYFMXAOCMVEMAY-GFCCVEGCSA-N 359.407 2.050 30 40 FEEB C=CCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OCC 113866063 WFSRJYHHTWOUIE-UHFFFAOYSA-N 350.758 2.053 30 40 FEEB C=CCOc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 4502590 WHCJHQQZDUMTPX-UHFFFAOYSA-N 372.402 2.035 30 40 FEEB C#CCN1C(=O)S/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)O)C1=O 409233615 LJGJRRXRHFAPBG-PEHNMLCRSA-N 361.375 2.217 30 40 FEEB CCOc1cc(C(=O)N2CCOC[C@H]2C#N)ccc1OCc1cccnc1 76042339 LQAXSBYGTLTLAE-QGZVFWFLSA-N 367.405 2.424 30 40 FEEB Cn1ncc([C@@H]2[C@H](C#N)[C@H](N)O[C@@H]3CC(C)(C)CC(=O)[C@@H]32)c1C(F)(F)F 408717941 WNANDJIMTDRPRE-XELZYWMFSA-N 370.375 2.351 30 40 FEEB Cc1cc(C)n(-c2ccc(N3CCN(Cc4ccc(C#N)cc4)CC3)nn2)n1 298146186 CRTKRBZHZWPUAV-UHFFFAOYSA-N 373.464 2.473 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 225488199 QIDBGARJGUFGON-MAUKXSAKSA-N 364.405 2.032 30 40 FEEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(C)=O)CC4)[C@H]3C[C@H]12 20612387 UIGGMXAEKSOOLI-TWHPPBISSA-N 360.498 2.465 30 40 FEEB biogenic C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N[C@@H](C)CC 32777048 KLPDXMJNOWRFOG-HNNXBMFYSA-N 365.547 2.499 30 40 FEEB C#CCOc1ccc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1 9296388 YKHGMZOMZSXRQX-INIZCTEOSA-N 353.374 2.163 30 40 FEEB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)cc1 36408817 FPDFAPDUCZHBRJ-UHFFFAOYSA-N 373.434 2.418 30 40 FEEB N#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12809959 HPLAKMAOHKGSPK-UHFFFAOYSA-N 372.402 2.132 30 40 FEEB C=CCN1/C(=N/C(=O)CCC2CCCC2)S[C@@H]2CS(=O)(=O)C[C@H]21 5325262 OCDMVFYOOZBOBV-SZGQWAQFSA-N 356.513 2.240 30 40 FEEB CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2ccccc2C#N)nn1 216757719 JGRYDTNXQFWCDD-LJQANCHMSA-N 358.405 2.419 30 40 FEEB Cc1nc(C(C)(C)C)nc(N2CCN(c3nccc(C#N)n3)CC2)c1C 1888859934 WSFOFFYGIDYUCB-UHFFFAOYSA-N 351.458 2.379 30 40 FEEB CCC(=O)Nc1nonc1-c1nnc(SCc2ccccc2C#N)n1C 9668298 JVRWBCRARRTTNG-UHFFFAOYSA-N 369.410 2.378 30 40 FEEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3OC)C2=O)c1 408537572 WITNLAFOTNQIEG-AWEZNQCLSA-N 367.361 2.305 30 40 FEEB Cc1n[n+](CC(=O)c2ccccc2)c(C)n1/N=C/c1ccccc1[N+](=O)[O-] 69701184 SPVIBWPQYLDZSG-UDWIEESQSA-N 364.385 2.461 30 40 FEEB C#CCN(C)Cc1nc(C2(O)CCN(C(=O)c3ccccc3)CC2)cs1 225470561 MTQLICJPBZKAJX-UHFFFAOYSA-N 369.490 2.332 30 40 FEEB biogenic,in-vitro CN1C[C@@]2(CCN(Cc3nccs3)C[C@@H]2O)O/C1=N\c1ccccc1 257238352 HKORNXNLBAGGSN-CGUBZQRWSA-N 358.467 2.098 30 40 FEEB Cn1ccnc1[C@@H]1[C@@H](CNCc2ccc(C#N)o2)CCC(=O)N1C1CC1 596060618 VUYBWPWQYJABCR-ACJLOTCBSA-N 353.426 2.117 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](CC)C2 3552825 ZHFIKHRDSXMSJB-LLVKDONJSA-N 350.440 2.432 30 40 FEEB N#Cc1c(N2CCN(CCO)CC2)nc(-c2ccco2)c2c1CCCC2 20589444 JZPMEHVJURIBLM-UHFFFAOYSA-N 352.438 2.206 30 40 FEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 1015880 BYYUKQOHYHJBBZ-GLEZIHRCSA-N 359.279 2.133 30 40 FEEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cs1 28128296 ANNSRSUNXPXBJQ-NSHDSACASA-N 363.443 2.275 30 40 FEEB COCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2302867 WYMWYIQTKUGUQH-HNNXBMFYSA-N 367.453 2.380 30 40 FEEB COc1cc(/C(O)=N/S(=O)(=O)c2c(C)noc2C)cc(OC)c1C 48490482 ZKBVNFPDHCNBEH-UHFFFAOYSA-N 354.384 2.311 30 40 FEEB N#Cc1nccnc1N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888890817 NGKVWBYOQVBEQR-IRXDYDNUSA-N 369.432 2.378 30 40 FEEB COc1ccccc1CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 23994667 OZNJIOLUUFSYIV-UHFFFAOYSA-N 350.422 2.495 30 40 FEEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cnccn1)C2 2056225153 FUGZQXBMKWBFJZ-OAQYLSRUSA-N 372.432 2.410 30 40 FEEB N#Cc1nccnc1N1CCC(CNC(=O)NCc2ccc(F)cc2)CC1 206608481 OEWRLVRRDHKTIL-UHFFFAOYSA-N 368.416 2.203 30 40 FEEB C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n([C@@H](C)CC)c1=N 100628109 ZKHSRIVPXBMBQG-ZDUSSCGKSA-N 365.437 2.324 30 40 FEEB C#CCOc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1 100763639 VILSSZWJAOOYTI-ROUUACIJSA-N 351.450 2.447 30 40 FEEB CCCCN1C(=O)/C(=N\NC(=S)NC[C@H]2CCCO2)c2ccccc21 102976587 DNJFJIMWAJHTSS-SFKFPXOQSA-N 360.483 2.181 30 40 FEEB CN(C(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)C1CCCCC1 57911369 KLBFUZFJSPFLLA-UHFFFAOYSA-N 357.410 2.487 30 40 FEEB CNC(=S)N/N=C(/CCC(=O)OC)c1ccc(Br)cc1 97112673 BUFQAWYRFCCRCF-WJDWOHSUSA-N 358.261 2.200 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 101310005 RIMPXQJTQJWWAX-AHIOURIWSA-N 352.481 2.315 30 40 FEEB N#Cc1ccc(OC[C@H](O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 14184132 CALJPGJNVKKBEU-CQSZACIVSA-N 355.781 2.361 30 40 FEEB CNC(=O)c1cccc(NC(=O)CO/N=C(\C)c2ccc3c(c2)CCO3)c1 98055581 DKAIYPBNBVIYQG-YDZHTSKRSA-N 367.405 2.360 30 40 FEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/Cc1ccccn1 408536421 RIRZDPZVCCZZIB-LEBHLANCSA-N 356.769 2.205 30 40 FEEB O=C(c1cc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c[nH]1)N1CCCC1 53528398 XBXMWWFHBVIFLF-UHFFFAOYSA-N 351.370 2.067 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1CC 11907228 WLPQJYLVUCMHDA-XJFZTKQQSA-N 352.481 2.260 30 40 FEEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 5516618 KRUNUBNEDARZSE-QLTQQZPISA-N 374.434 2.222 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3C2CCCCC2)n(C)c1=O 8708922 HGOANKQBDBFUPD-AWEZNQCLSA-N 371.485 2.262 30 40 FEEB N#Cc1cccnc1OC1CCN(C(=O)Cn2cnc3ccccc32)CC1 96119257 KXBFOOXYONBERH-UHFFFAOYSA-N 361.405 2.373 30 40 FEEB COc1ccc(CNC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1 20029311 KTCUPOCTXHAJSB-UHFFFAOYSA-N 353.407 2.271 30 40 FEEB N#Cc1ccsc1NC(=O)CSc1nnnn1-c1ccc(O)cc1 3431403 JXLMHDUFDHTWDF-UHFFFAOYSA-N 358.408 2.032 30 40 FEEB CC(=O)N[C@H](C/C(O)=N/S(=O)(=O)c1cccnc1)c1ccc(C)cc1 42322322 WOSSNYDSTKEUGR-MRXNPFEDSA-N 361.423 2.303 30 40 FEEB Cc1noc(C)c1CN1C[C@@H]2OC[C@H](CCOc3ccc(C#N)cn3)[C@@H]2C1 251998403 LMBBFFKDUXPPMJ-WDSOQIARSA-N 368.437 2.474 30 40 FEEB Cc1noc(C)c1CCC(=O)N[C@H]1CC[C@H](Oc2nccnc2C#N)CC1 252527964 DVNQNFGETZLGQX-SHTZXODSSA-N 369.425 2.392 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(C(=O)Cc4ccc(F)cc4F)C[C@@H]3C2)nc1 1889139262 ZBZQOTXVRSTREF-HOTGVXAUSA-N 368.387 2.369 30 40 FEEB CCOc1cc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)ccc1O 4855509 IBSUOCQWCDNHKM-XDHOZWIPSA-N 357.414 2.172 30 40 FEEB C/C(=N\N=C(\S)Nc1ccc(S(=O)(=O)O)cc1)c1ccccn1 16940415 JJJGHIWJHORGFY-LICLKQGHSA-N 350.425 2.450 30 40 FEEB N#Cc1cccnc1NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 52386616 CXZYZAILQFIOJZ-MRXNPFEDSA-N 372.450 2.023 30 40 FEEB COC(=O)c1cc(C(=O)N(CCC#N)Cc2cccnc2)cc([N+](=O)[O-])c1 58218843 IWMWURUBWXCKDK-UHFFFAOYSA-N 368.349 2.332 30 40 FEEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)C1CC1 101317302 QOXIKMJPQDGVJB-LTUGMUNRSA-N 370.883 2.351 30 40 FEEB Cc1ccccc1C(=O)N1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1 1565541692 MJVHLZZYAKINHJ-UTKZUKDTSA-N 363.417 2.429 30 40 FEEB Cc1ccccc1NC(=O)[C@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N/O 104274143 AQYPQUIGWBJPNA-SSPLZPMDSA-N 351.362 2.262 30 40 FEEB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(C#N)c1 57355746 GVNWRQGZUMBTRK-UHFFFAOYSA-N 365.389 2.430 30 40 FEEB C=C1C(=O)O[C@@H]2/C=C(\C)[C@H]3C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 104215109 UEFXHAIMDIUNBV-CRYBYNSUSA-N 362.422 2.221 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)cn23)n(C)c1=O 4250658 KTFAGIOWQHPAPY-UHFFFAOYSA-N 369.812 2.286 30 40 FEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 409180380 RDBCYSCLXKOUGI-MBTOKLNMSA-N 352.390 2.091 30 40 FEEB C=CCN(c1ccc(C(=O)NCCOC)cc1)S(=O)(=O)c1ccccc1 224368974 KETBTNACSLYEKV-UHFFFAOYSA-N 374.462 2.444 30 40 FEEB N#Cc1ccc(C(=O)N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cc1 85436087 LMMXQDSPGXNNGX-GOSISDBHSA-N 352.438 2.453 30 40 FEEB biogenic,in-vitro C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 12850646 XAKKOIBURBWZML-NSHDSACASA-N 368.418 2.282 30 40 FEEB CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 16778290 APAVEHQFOVHKMH-MELADBBJSA-N 354.410 2.414 30 40 FEEB CN(C)CCN(CCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 40105678 AWZXKBHANHQZRO-UHFFFAOYSA-N 357.479 2.353 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101305680 SOARKYOVDDPMDH-OVZRNVPMSA-N 350.465 2.006 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@H]2c2ccccc2F)cc1 102798628 LBPRNPVJAAVVJD-HVESIFNPSA-N 371.364 2.248 30 40 FEEB N#CC1(NC(=O)COc2ccc(Oc3ccccn3)cc2)CCOCC1 84613283 STGCCNFLORHXIT-UHFFFAOYSA-N 353.378 2.442 30 40 FEEB C=CCNC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@H]2SC1(C)C 4081911 VANOXWJOEJTDAY-RHSMWYFYSA-N 362.451 2.354 30 40 FEEB biogenic NS(=O)(=O)c1ccc(C/N=C(/S)NCc2ccc(F)cc2)cc1 13814877 BASSSGJNDQKIQE-UHFFFAOYSA-N 353.444 2.049 30 40 FEEB C=CCn1cnnc1SCC(=O)Nc1ccccc1N1CCOCC1 6589844 UHQXUVYXJRZSBT-UHFFFAOYSA-N 359.455 2.032 30 40 FEEB C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CC(=O)N(CCC#N)CCC#N 72311047 RLAZCMRQDASEKQ-ODCWNRFASA-N 360.483 2.073 30 40 FEEB N#Cc1cccnc1N1CCC(N/C=C2/C(=O)Oc3ccccc3C2=O)CC1 1547201163 YNRYTXBGFPJWBT-GHRIWEEISA-N 374.400 2.197 30 40 FEEB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)cc1C 226044984 HSZLXHJMIJOQTM-UHFFFAOYSA-N 373.434 2.135 30 40 FEEB CC(C)Cn1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cn1 266399168 OQDOVQUXTWTKCU-UHFFFAOYSA-N 353.430 2.160 30 40 FEEB Cc1ccc(C(=O)NCCc2nnc3ccc(SCC#N)nn23)cc1 4358507 QQVFITPFCYUSHG-UHFFFAOYSA-N 352.423 2.021 30 40 FEEB N#Cc1ccsc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 5298861 YLGBCPZQYJPRSM-NSHDSACASA-N 367.477 2.473 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(OC)c1 101313348 CEYIAPZASAIFQH-OVZRNVPMSA-N 368.480 2.097 30 40 FEEB CCS[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(CC(=O)O)C(=O)N1C 62716303 SFWYZNGMKRLNQL-MRXNPFEDSA-N 364.379 2.100 30 40 FEEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(NC(=O)c2ccc[nH]2)CC1 65514681 VDQVXSXKRRNHOP-CQSZACIVSA-N 366.421 2.075 30 40 FEEB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2ccc(C#N)cn2)CC1 14303039 XBEIXAZSDRFVIV-GOSISDBHSA-N 354.385 2.129 30 40 FEEB COc1ccccc1C/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O 408528386 BDBRPWZETMBLCM-NGZBARDMSA-N 365.389 2.474 30 40 FEEB C=CCn1c(N)nnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 31853912 JLYGIJAIHULPAC-UHFFFAOYSA-N 359.371 2.297 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1OC 222252388 WMVSNTSUKSHDGJ-WPWHSZHVSA-N 352.390 2.091 30 40 FEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(Cc4ccncc4)C3)C2)n1 96229100 WNHMPOJDMHUJQF-NRFANRHFSA-N 363.465 2.467 30 40 FEEB C[C@H](OCC1CC1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 68335985 OOIAGTQUJCCXLK-JTQLQIEISA-N 352.412 2.032 30 40 FEEB N#Cc1ccccc1NC(=O)CSc1nnnn1-c1cccc(F)c1 5795527 SHJPTOZJCWDNRD-UHFFFAOYSA-N 354.370 2.404 30 40 FEEB COc1ccc(/C=N/N2C[C@@]3(C)[C@@H]4CC[C@@]3(C)[C@@]2(C(N)=O)C4)cc1OC 16739588 LZJCLTMEUVKVBN-YNOMPQMASA-N 357.454 2.404 30 40 FEEB N#CCOc1ccc(NC(=O)c2nc(N3CCOCC3)ncc2Cl)cc1 40141384 LHQHNKYKYAZVFJ-UHFFFAOYSA-N 373.800 2.121 30 40 FEEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ccccc1C#N 32808514 VTMIFQJSVLWBDC-MRXNPFEDSA-N 358.467 2.368 30 40 FEEB N#CCOc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 103411989 CKHWQVLKMPWEQU-IYBDPMFKSA-N 355.394 2.093 30 40 FEEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)n1 7138933 YIPLAYGNKXSQBU-CYBMUJFWSA-N 367.386 2.326 30 40 FEEB NC(=O)C(/N=N/c1ccccc1C(=O)O)=N\Nc1ccccc1C(=O)O 104226513 OHRQBJCZZMUBPL-UCUGPLMPSA-N 355.310 2.078 30 40 FEEB CC(=O)N[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)C1CCCC1 58223338 ISGSHVRSFQAKJO-HXUWFJFHSA-N 368.481 2.292 30 40 FEEB C=CCNC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4092560 MSFKEFJIWPKREO-JSRAGOMMSA-N 372.424 2.181 30 40 FEEB N#C[C@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1Cc1ccccc1 74673457 UQTFYVGGTHFUPK-KRWDZBQOSA-N 357.417 2.480 30 40 FEEB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225668369 PBQBRRSSGBNDSA-RVKKMQEKSA-N 367.467 2.358 30 40 FEEB COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 15738919 LCOPKZONFRDIRH-UHFFFAOYSA-N 359.407 2.069 30 40 FEEB N#Cc1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(Cl)c1 1889108550 LWSXXHKQXDBAHM-UHFFFAOYSA-N 369.860 2.323 30 40 FEEB O=C(O)CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 102866269 CUNFCPWFTUMUQU-IBOXJLQUSA-N 355.321 2.332 30 40 FEEB N#Cc1cccnc1NCCNS(=O)(=O)CCSc1ccccc1 84558693 FLBXCGJKGHXLCR-UHFFFAOYSA-N 362.480 2.077 30 40 FEEB N#Cc1ncn(CC(=O)N(CCc2ccccc2)Cc2cccs2)n1 14144120 DTFGUKLUIJSYPH-UHFFFAOYSA-N 351.435 2.483 30 40 FEEB COc1cc(Cl)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409404136 CKKSWVDVTHBKPQ-VUKUWZNJSA-N 360.797 2.498 30 40 FEEB N#Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 8069274 LTHLMBSJRVUVNS-UHFFFAOYSA-N 367.380 2.203 30 40 FEEB COc1cc(C)ccc1OC/C(O)=N/S(=O)(=O)c1c(C)noc1C 84146198 FJRRRLBXAAGGBS-UHFFFAOYSA-N 354.384 2.333 30 40 FEEB CCOC(=O)COc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408930069 RRLADACEXUZCPD-CFYUHYMKSA-N 364.423 2.169 30 40 FEEB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1 222665868 OUQKOWMKJIRHSW-UHFFFAOYSA-N 373.434 2.264 30 40 FEEB COc1ccc2cc(C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)[nH]c2c1 225801041 QJOBUAUPPRHDPN-AWEZNQCLSA-N 363.377 2.132 30 40 FEEB O=C(c1ccccn1)N1CCN(/C(O)=N/[C@@H]2CCc3ccccc3C2)CC1 328797857 FOWYYEHKKQDSTF-GOSISDBHSA-N 364.449 2.311 30 40 FEEB COC(=O)CN(CCN(C)C(=O)OC(C)(C)C)[C@H]1CC[C@H](C=O)CC1 575366289 HNEXJPKOTUEASQ-SHTZXODSSA-N 356.463 2.086 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N 5501047 KJCNTJWPQJELGD-BHIYHBOVSA-N 363.421 2.106 30 40 FEEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)COc2ccccc2)CC1 240002201 POSAKAACZQOSTG-KOMQPUFPSA-N 352.394 2.233 30 40 FEEB N#Cc1c(COC(=O)Cc2n[nH]c(=O)c3ccccc23)cn2ccccc12 13013315 WIMWQJDBZAYNHS-UHFFFAOYSA-N 358.357 2.333 30 40 FEEB COC(=O)c1ccc2c(=O)n(N)c(SCc3cccc(C#N)c3)nc2c1 71327520 NGUJNMHPJNDUDU-UHFFFAOYSA-N 366.402 2.061 30 40 FEEB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccccc1C#N 14867707 DGDNNSZIBQXQQO-UHFFFAOYSA-N 350.421 2.071 30 40 FEEB C=CCNc1nnc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)s1 7476012 NRJDNMRMEBHOJT-SSDOTTSWSA-N 369.497 2.416 30 40 FEEB C=CCOc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409356209 FSDXIOHPFGVVJX-UHFFFAOYSA-N 366.333 2.457 30 40 FEEB N#Cc1cnn(-c2ccccc2)c1NC(=O)Cn1nnc(-c2ccccc2)n1 89853189 FVKDVIXTSVQVLS-UHFFFAOYSA-N 370.376 2.036 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533676 KLDMCITWADYUPW-HFIMFFCGSA-N 355.394 2.154 30 40 FEEB CC(=O)Nc1ccc(O)c(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 597936431 PNHPMGCPMTYUTQ-UHFFFAOYSA-N 370.434 2.246 30 40 FEEB O=S(=O)(/N=C(\O)COC1CCCC1)c1ccc2c(c1)OCCCO2 48536165 FBUAHTZQNVYFEV-UHFFFAOYSA-N 355.412 2.452 30 40 FEEB O=C(N/C(=N/c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1470975 ITZVAYWRSIFRSJ-UHFFFAOYSA-N 354.366 2.345 30 40 FEEB O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)c([N+](=O)[O-])c1 105651839 BHFGRIDNRGKQMY-MKMNVTDBSA-N 363.242 2.268 30 40 FEEB C=CCN(C(=O)c1cnn(-c2ccccc2C)c1C)[C@H]1CCS(=O)(=O)C1 58224558 QLNGWIUVKOMQNB-INIZCTEOSA-N 373.478 2.304 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 408724118 FPTNXZGIDJBRLN-FGSXFYGDSA-N 367.361 2.135 30 40 FEEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)Nc1cccc(F)c1 12997113 QWBJVOIDGMGNCD-AWEZNQCLSA-N 360.433 2.427 30 40 FEEB COc1ccc(C(=O)Oc2ccc(/C=N/NC3=NC(=O)CS3)cc2)cc1 4690174 XSUNLQRXSSKUGH-VXLYETTFSA-N 369.402 2.467 30 40 FEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 9450503 LGGCNGQVPDOZRO-GOSISDBHSA-N 365.380 2.156 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)NC1=S 408903129 UUNDHESMGMVCNO-DTQAZKPQSA-N 355.463 2.490 30 40 FEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(C#N)C=O)cc1 252516901 XRCVMIFHAINYGN-GUDVDZBRSA-N 369.398 2.372 30 40 FEEB CCN(CC)C[C@@H](C(=O)Nc1c(C)cccc1C)/C(C)=N\NC(N)=S 5809930 XHWUYFYYKFGRCQ-XWCAUFEOSA-N 363.531 2.409 30 40 FEEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 104308341 YIULWLDSEFUTMH-SILNSSARSA-N 358.423 2.147 30 40 FEEB C[C@@H](C(=O)OCCOc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 35474371 HTAHDNHUYAULGS-ZDUSSCGKSA-N 364.357 2.165 30 40 FEEB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CC)C[C@@H](C)C#N)cc1 58201664 HKUXOTWOSTUBNQ-KBPBESRZSA-N 351.472 2.385 30 40 FEEB COc1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@@H]4N3)C(=O)C2)c(OC)c1 9287928 JSINZUVYAIZKTP-HOTGVXAUSA-N 370.449 2.435 30 40 FEEB C=CCN1C(=O)N/C(=C/c2ccc(I)cc2)C1=O 4690081 YPXLWFNDOHJMAW-DHZHZOJOSA-N 354.147 2.370 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 6658539 GCPMYUYAAISWPX-XQOGBDFBSA-N 352.481 2.431 30 40 FEEB COc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCC(=O)O 409085799 ZLDWNLQSKGYNGG-OQFOIZHKSA-N 370.155 2.237 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 85902142 BMTFQTMRFOSRNN-INIZCTEOSA-N 370.365 2.166 30 40 FEEB C[C@@H](CCO)C1(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC1 95986811 OSKUSRWHISPDSB-NSHDSACASA-N 358.410 2.304 30 40 FEEB NC(N)=N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 15223479 LRANVMGLXVOWOU-DJKKODMXSA-N 361.199 2.276 30 40 FEEB COc1ccc(-n2nnnc2C/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1 4369052 YZGOABFMOKBVOI-GZTJUZNOSA-N 353.342 2.220 30 40 FEEB Cc1nc(N2CCN([C@H](C)C(=O)NC(C)C)CC2)c(C#N)c(C)c1Cl 1888904153 BPYMAZYIPRJBLA-CQSZACIVSA-N 363.893 2.259 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@H](c3ccc(Cl)cc3Cl)[C@@]12C#N 103027977 AWROAYYIUQYNID-FPMFFAJLSA-N 351.193 2.428 30 40 FEEB N#CC(C#N)c1nc2ccccc2nc1N1CCN(C(=O)c2ccco2)CC1 3220592 DGUDZSINULBPHC-UHFFFAOYSA-N 372.388 2.316 30 40 FEEB N#Cc1ccc(OCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 8708433 UVFVYTUHEDCCEH-HXUWFJFHSA-N 363.373 2.167 30 40 FEEB C[C@@H](CC#N)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 58299640 CSESGLVSGHRDIB-LBPRGKRZSA-N 352.416 2.483 30 40 FEEB COc1ccc(Br)cc1C(=O)CC/C(O)=N/S(C)(=O)=O 48479224 WNJRXTJGKHSFMF-UHFFFAOYSA-N 364.217 2.337 30 40 FEEB C[C@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccccc1C#N 12939258 KHONNOLEJRAISI-OAHLLOKOSA-N 371.462 2.398 30 40 FEEB C=CCn1c(Sc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 6188076 YAWPILXOOQWOCO-UHFFFAOYSA-N 362.842 2.424 30 40 FEEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)c(O)c([N+](=O)[O-])c1 409362959 TXLZNKGZPDUYGB-UHFFFAOYSA-N 360.713 2.252 30 40 FEEB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCCNc2ncccc2C#N)C1 76083114 UXWRWKCOKJBZEW-HIFRSBDPSA-N 373.457 2.175 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1 408708481 ILXPQFHJKMQLAB-AWEZNQCLSA-N 351.406 2.418 30 40 FEEB O=C(O)COc1ccc(/C=N/N=C/c2ccc(OCC(=O)O)cc2)cc1 33661153 VCCWVRJZFOTRHV-LQGKIZFRSA-N 356.334 2.066 30 40 FEEB N#Cc1cc(F)c(N2CCN(CC(=O)N3CCCCCC3)CC2)c(F)c1 63508272 KQLOHQLTKAJUBV-UHFFFAOYSA-N 362.424 2.361 30 40 FEEB CC(=O)c1ccc(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccccc2)cc1 5444076 TXRUVNCXIJQWNU-LTGZKZEYSA-N 365.418 2.147 30 40 FEEB C[C@@H](/C(O)=N/C1CC1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32777910 HSFINJXOLXQYFB-LBPRGKRZSA-N 355.398 2.436 30 40 FEEB C=CCN(Cc1cccs1)C(=O)Cc1csc(NS(C)(=O)=O)n1 32903459 ADTBMZWBMXVARN-UHFFFAOYSA-N 371.509 2.333 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@H]1c1cccnc1 100914322 ZJCDQMPFJDDDPF-LKGOPFMKSA-N 367.405 2.214 30 40 FEEB CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc(C#N)cc2)c2c(n[nH]c2O)C[C@@]1(C)O 106823164 WCUPRTCWMOCUQC-DKICVRJWSA-N 369.421 2.384 30 40 FEEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\C[C@@H]3CCCO3)NC2=O)c1 7882657 LMKYUMVUBRWWJC-ZFWWWQNUSA-N 361.467 2.399 30 40 FEEB N#CC(C#N)=c1s/c(=C\c2ccsc2)c(=O)n1Cc1ccc(F)cc1 96920486 XWYNSFRVJVVBKS-APSNUPSMSA-N 367.430 2.185 30 40 FEEB N#Cc1ccc(COCC2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)cc1 75156595 XMDNYQKCEBFKHJ-FQEVSTJZSA-N 371.481 2.082 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245229305 SXNKVXSDDHEEDA-UHAUCASRSA-N 356.513 2.072 30 40 FEEB CN1Cc2c(N3CCOCC3)nc3sc(C#N)c(N)c3c2CC1(C)C 13142786 AECMGDGQAXXPFM-UHFFFAOYSA-N 357.483 2.353 30 40 FEEB C=CCNC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O 19016046 BAUBOYZFBJYLPR-UHFFFAOYSA-N 364.829 2.026 30 40 FEEB Cc1ccc(C)c(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101312959 UAMCMXCGELZXME-WPIBOPBSSA-N 364.492 2.315 30 40 FEEB Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1C1CC1 7235448 UFKVBRJRCBLNST-UHFFFAOYSA-N 352.423 2.218 30 40 FEEB CN(C)c1ccc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)nn1 1889191446 WHVFLAKKMOQONO-UHFFFAOYSA-N 359.437 2.289 30 40 FEEB N#Cc1c(NC(=O)CN2CCN(c3nccs3)CC2)sc2c1CCC2 40033508 ZAYZXMDSVQMWLQ-UHFFFAOYSA-N 373.507 2.326 30 40 FEEB C=CCN1C(=O)N=C(O)/C(=C/NN2CCCC[C@@H]2c2cccnc2)C1=O 20111525 BLCWKTNERRHLLE-IKESIWSLSA-N 355.398 2.102 30 40 FEEB biogenic CNC(=O)c1ccc(CN(CC(=O)N(C)CCC#N)Cc2ccco2)cc1 54985050 UJVIQJBAEXQDSR-UHFFFAOYSA-N 368.437 2.013 30 40 FEEB O=[N+]([O-])c1ccc(N/N=C/Cc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 8648627 TYOOADUTIROREY-CXUHLZMHSA-N 368.313 2.119 30 40 FEEB C=CCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nnc1-c1ccncc1 2663840 VZNDLJTWOVYKJQ-ZIAGYGMSSA-N 373.482 2.254 30 40 FEEB Cc1c(NC(=S)N/N=C/c2ccncc2)c(=O)n(-c2ccccc2)n1C 7014857 ROZQVKAELSTYJO-UDWIEESQSA-N 366.450 2.200 30 40 FEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cc2cccc(F)c2)CC1 40087058 BHSNGDOYABJRIC-UHFFFAOYSA-N 354.385 2.454 30 40 FEEB N#Cc1ccc(S(=O)(=O)NC(=O)CCC(=O)c2ccc(F)cc2)cc1 42304141 LVFCSEKINKMDQQ-UHFFFAOYSA-N 360.366 2.165 30 40 FEEB COc1cc(C(=O)ON2C(=O)c3ccccc3C2=O)cc(OC)c1OC 1072369 NMLZVVZFHPPTGH-UHFFFAOYSA-N 357.318 2.080 30 40 FEEB CCn1nc([N+](=O)[O-])c([C@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O 12569752 KDKYCEBEROHJGC-VIFPVBQESA-N 372.772 2.367 30 40 FEEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309642 LQWWUZDUGQSMCA-ZZWQHHHISA-N 370.540 2.462 30 40 FEEB CNC(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3450656 VJRFRVVGIJCVKQ-UHFFFAOYSA-N 369.402 2.322 30 40 FEEB O=c1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]nc1Cc1ccccc1 9234808 ITYLJGHZSGZYND-WOJGMQOQSA-N 350.338 2.110 30 40 FEEB Cc1ncnc(OC[C@@]23CCC[C@H]2CN(c2nccnc2C#N)C3)c1C 1888864229 VGGNZSGFNBRXTC-KXBFYZLASA-N 350.426 2.441 30 40 FEEB N#Cc1cc2c(nc1N1CCN(c3ncnc4cc[nH]c34)CC1)CCCC2 1775976213 WIJILVRDMYHVLZ-UHFFFAOYSA-N 359.437 2.430 30 40 FEEB CN([C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1)S(=O)(=O)C1CC1 2086889747 WFVXQIXQHPBHPP-OAHLLOKOSA-N 351.447 2.086 30 40 FEEB C=CCn1cc(S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O 28405451 HPJRQMKZFGDDAB-UHFFFAOYSA-N 368.414 2.018 30 40 FEEB N#Cc1c(F)cccc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 29845672 QOWQZWFZUXZZQH-UHFFFAOYSA-N 369.425 2.089 30 40 FEEB C#CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccc(O)c(OC)c1 9088147 ZOAXMCNAHWDQDZ-JTQLQIEISA-N 357.391 2.096 30 40 FEEB C/N=C1\S[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1C 13116515 GZDXQLGJOMHQAV-UFZXGQNFSA-N 362.480 2.387 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1C 5486786 SXNCFKPVHORKBH-ZJWOPCONSA-N 358.872 2.270 30 40 FEEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 226668947 JTXWSZAFELZYOI-VIHXWWLXSA-N 370.792 2.456 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 95915204 HGUCMUSCDIICCD-BKJYESAMSA-N 352.481 2.315 30 40 FEEB Cc1cc(CN2C[C@@H]3OC[C@H](CCOc4ccc(C#N)cn4)[C@@H]3C2)no1 247904944 JPDPFGBWCIHKJW-SZMVWBNQSA-N 354.410 2.166 30 40 FEEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc(OC)c1O 40266163 CZPDIIIVRHGJJC-KRWDZBQOSA-N 366.377 2.500 30 40 FEEB CN(C1CCCCC1)S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 32829900 GXKKLQZREJQYLF-UHFFFAOYSA-N 362.499 2.190 30 40 FEEB COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(OC)c1OC 3089632 DGRFGSTVOGLLCI-GZTJUZNOSA-N 350.396 2.025 30 40 FEEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccccn1 4858867 WOIMAABZRAIGCP-CQSZACIVSA-N 359.455 2.217 30 40 FEEB N#CC1(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)CCCC1 44758938 PRGRWAQCITVCHI-UHFFFAOYSA-N 351.414 2.039 30 40 FEEB C=CCc1c(O)nc(SCC(=O)Nc2ccc(OCC)cc2)[nH]c1=O 13957179 LNWZDOGOLFXBOT-UHFFFAOYSA-N 361.423 2.334 30 40 FEEB CCCCn1c(=O)[nH]c(O)c(C(=O)/C=C/c2ccc(OCC)cc2)c1=O 9334801 KLTSQGQBBKDFFQ-DHZHZOJOSA-N 358.394 2.337 30 40 FEEB COc1cc(/C=N\Nc2nc(C)cc(=O)[nH]2)cc(Br)c1O 31776168 APMXMHRAYCRRIF-UUASQNMZSA-N 353.176 2.001 30 40 FEEB CC(=O)Nc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 21659618 VKLHYFVMSOSWRW-UHFFFAOYSA-N 361.405 2.248 30 40 FEEB C=CCN(CC=C)C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 9741318 CUKWECKDESHVHP-NRFANRHFSA-N 367.449 2.361 30 40 FEEB O=C(CCc1ccco1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13165384 WNLCIOVTPYXDOH-UHFFFAOYSA-N 361.423 2.322 30 40 FEEB CN(C)C(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)c2ccccc2O1 14023545 LKXALHPVCOGDNB-CVTTXWKISA-N 361.401 2.454 30 40 FEEB O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N\Nc2ncccc2[N+](=O)[O-])c1 409089948 NTJXELYVOAVGCI-WQRHYEAKSA-N 372.341 2.181 30 40 FEEB COC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)cc1 224860219 WJWJFMIXYMRXLP-UHFFFAOYSA-N 374.418 2.130 30 40 FEEB C=CCN1CCC(NC(=O)COc2nn(-c3ccccc3)cc2C)CC1 226852148 KLXWZMZZQNFQHN-UHFFFAOYSA-N 354.454 2.326 30 40 FEEB C#Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)c1 40040652 WXZDFSCIEBDLAL-UHFFFAOYSA-N 372.446 2.374 30 40 FEEB CN1CCN([C@H](CNC(=O)c2ccc(C#N)cc2)c2ccsc2)CC1 22765596 PMXKAJBFAOPBOG-GOSISDBHSA-N 354.479 2.338 30 40 FEEB Cc1noc(CCN2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)n1 218505081 CXRLXZCWMVGISC-UHFFFAOYSA-N 367.434 2.256 30 40 FEEB O=C(CNC(=O)c1ccco1)NCC#Cc1cccc(C(F)(F)F)c1 12796784 CYQPAHJJZVMJFE-UHFFFAOYSA-N 350.296 2.196 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccnc2)cc1 5408982 YESNNHZCBSJHNG-DYVFJYSZSA-N 352.390 2.349 30 40 FEEB CCCOc1cc(/C=N/n2c(=O)[nH]c3ccccc3c2=O)ccc1OC 6507720 RGBRBHPRMHRHNZ-UDWIEESQSA-N 353.378 2.369 30 40 FEEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(Cl)c(O)c2)nc1N 20427823 QAYHHQTVKYWTLO-UHFFFAOYSA-N 359.798 2.497 30 40 FEEB C#CCOCc1cc(COCC#C)c(COCC#C)cc1COCC#C 3843454 IFLMUKHHHYJNAM-UHFFFAOYSA-N 350.414 2.286 30 40 FEEB biogenic Cc1nc(-c2ccccc2)sc1/C(O)=N/c1nc(S(C)(=O)=O)n[nH]1 58099042 CUFCPEGKAVHYCQ-UHFFFAOYSA-N 363.424 2.276 30 40 FEEB C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])c1 47194527 WOXWRFLKCFFSFB-UHFFFAOYSA-N 351.362 2.216 30 40 FEEB CCCCS(=O)(=O)/N=C(\O)c1ccc(Cl)c(S(C)(=O)=O)c1 95351154 RKARPZKAOJKUFV-UHFFFAOYSA-N 353.849 2.178 30 40 FEEB C[C@@H](NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)c1ccccc1 12734507 HSRJQLLPDGCRPT-CQSZACIVSA-N 357.435 2.202 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 4289723 HXPSLNNHOUFWPT-UHFFFAOYSA-N 374.418 2.174 30 40 FEEB C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1F 4357096 ILIYMXVQCJQVDP-UHFFFAOYSA-N 362.430 2.221 30 40 FEEB CN1CCN(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1 19891793 ANEYDMMUSYLRHH-MRXNPFEDSA-N 351.450 2.044 30 40 FEEB CC(C)(C)OC(=O)N[C@]1(C=O)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218656820 BVRQXPLLGPJATG-DVOMOZLQSA-N 373.858 2.313 30 40 FEEB Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1ccc(CC#N)cc1 225876270 FZTXRWAIAADWPK-UHFFFAOYSA-N 350.425 2.141 30 40 FEEB CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCN2CCC[C@H]2C1 245230329 PKFJLOBBSGMIMS-ROUUACIJSA-N 365.485 2.169 30 40 FEEB O=c1[nH]c2cc(Cl)ccc2nc1/C(=N\O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 17214774 BUNZELLKAVADAP-NPRIEWAGSA-N 374.740 2.397 30 40 FEEB Cc1nc(N2C[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)nc(O)c1F 1888869764 LDFYZLAONWJPRZ-RYUDHWBXSA-N 374.807 2.122 30 40 FEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1565556229 ZKQGLLZGPJFUJX-NQIIRXRSSA-N 369.465 2.040 30 40 FEEB C=C(C)C[C@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 2145747 PQWSQJPHBKAWTP-ZIKOTGLESA-N 353.418 2.431 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1 10818186 YANWZAYABMHQHU-UHFFFAOYSA-N 358.486 2.221 30 40 FEEB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)C1 3321468 YKXLXVDIILCJIJ-ZIAGYGMSSA-N 357.410 2.200 30 40 FEEB CN(C)CCN(Cc1ccc(C#N)cc1)Cn1ncc2ccccc2c1=O 60061403 HRNATHAJTSBDNV-UHFFFAOYSA-N 361.449 2.289 30 40 FEEB C=CCN(CC=C)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 2620370 FXQJKSQDOSTZGU-IBGZPJMESA-N 359.401 2.183 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl 17028153 NCRDPORGBNIPPH-BLCHQYFCSA-N 372.899 2.347 30 40 FEEB C=CCN(Cn1nc([C@H]2CCS(=O)(=O)C2)n(C)c1=S)C1CCCC1 62581071 WQKNVWWQHUVTQR-ZDUSSCGKSA-N 370.544 2.241 30 40 FEEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 17029064 UHPOVFFKKXOUGP-OFXSGMSSSA-N 370.471 2.079 30 40 FEEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCN4CCOCC4)[C@H]3C[C@@H]12 20410695 ZKEGPMBXUFJNDZ-GQUPQBGVSA-N 362.514 2.222 30 40 FEEB biogenic N#Cc1ccc(NC(=O)CCN2CCNC(=O)C[C@@H]2c2ccccc2)cc1 60090320 QWZBHAMSPIKOLP-LJQANCHMSA-N 362.433 2.450 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)c2sc(C)nc2C)c(OC)c1 48610954 BHXVWYHZZMQNPZ-UHFFFAOYSA-N 356.425 2.471 30 40 FEEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N2CCNC2=O)n1 9117819 DMXNNDLUXRPSEE-MRVPVSSYSA-N 358.345 2.313 30 40 FEEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccccn1 8743860 UEERNYHVVPQVCY-GROYHEBESA-N 369.421 2.438 30 40 FEEB C=C(C)CN1CCN([C@H](C(=O)O)c2c(C(=O)O)n(C)c3ccccc23)CC1 36357423 OUIDYRAMVRUCBK-SFHVURJKSA-N 371.437 2.196 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2C)C1=O 1614934396 MIMICUSDQSCOGF-BFUOFWGJSA-N 372.856 2.484 30 40 FEEB Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 40080517 QFQVRZOTJDCSJQ-UHFFFAOYSA-N 363.377 2.472 30 40 FEEB CCC(=O)Nc1ccc(C(=O)CSc2ncc(C#N)c(N)n2)cc1OC 4171083 KLQKDFXBDGEHIP-UHFFFAOYSA-N 371.422 2.263 30 40 FEEB C=CCn1nnc(NC(=O)c2cc(Br)cc(C)c2OC)n1 10010744 GXMNVIXAJBZKRZ-UHFFFAOYSA-N 352.192 2.191 30 40 FEEB N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1 34863286 IJXQTUGIWCMIAR-UHFFFAOYSA-N 368.418 2.281 30 40 FEEB Cn1c(=C(C#N)C#N)s/c(=C\c2ccc(-c3cccs3)cc2F)c1=O 55756482 SLANGFTVIXWIMZ-PXNMLYILSA-N 367.430 2.341 30 40 FEEB N#Cc1cccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 12896536 KLTQDCLFEVPKBQ-UHFFFAOYSA-N 366.396 2.094 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 32504710 BNBFZLNTHHPCTB-IHBNSJBNSA-N 366.508 2.330 30 40 FEEB N#CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 18707814 UDWZEFSBDVDOSN-UHFFFAOYSA-N 357.391 2.274 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccncc1 4312210 UGXIILQOJHPHIT-GROYHEBESA-N 351.406 2.065 30 40 FEEB O=C(O)CN(CC(=O)O)c1ccc(/C=C/C(=O)c2ccccc2O)cc1 3898707 FHJYGHYYXFWQKI-JXMROGBWSA-N 355.346 2.264 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2sccc2c(=O)n1C 36802271 JKUQJRZGEIODRA-HNNXBMFYSA-N 350.469 2.142 30 40 FEEB C=CCNC(=O)NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 3517471 SJMKJZPRYYCZTD-UHFFFAOYSA-N 355.181 2.327 30 40 FEEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC(C)=O 409404792 LZOBTBWUDMEWMR-DFEHZGFQSA-N 368.389 2.152 30 40 FEEB C=CCn1c(=C(C#N)C#N)s/c(=C\c2c(Cl)cccc2Cl)c1=O 6185962 JRGZVSRFPGJRQS-AUWJEWJLSA-N 362.241 2.429 30 40 FEEB COc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)c1 408529968 DMGYIXSOHGYDOF-MRXNPFEDSA-N 367.361 2.305 30 40 FEEB CC1(C)CC(=O)[C@@H]2[C@H](C1)O[C@H](N)[C@H](C#N)[C@H]2c1cnn(CC(F)F)c1 408717932 SZKZKYLZPFYQEC-PIVDIINCSA-N 352.385 2.060 30 40 FEEB C#CCOc1c(OC)cc(Br)cc1[C@H]1N[C@@H](C(=O)O)CS1 408815852 VHQXUMJIOQHIPR-MFKMUULPSA-N 372.240 2.258 30 40 FEEB C=CCn1c(S[C@@H](C)C(=O)/N=C2/NCCS2)nnc1-c1cccnc1 35655220 OSZZDXKKRBWFKN-NSHDSACASA-N 374.495 2.226 30 40 FEEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(O)c(O)c1 49550546 WHJDQKIKXICVGP-MRXNPFEDSA-N 355.350 2.103 30 40 FEEB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1cccc(C#N)c1)C2 96237726 KEXWANPMFQMNNA-QFIPXVFZSA-N 374.444 2.122 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)ccc1O 805307 HIGSFETWXVOBRR-ISCRKHIVSA-N 352.390 2.322 30 40 FEEB C[C@H](C#N)OC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 5959629 BZNYUFAORGTQAB-CQSZACIVSA-N 350.440 2.249 30 40 FEEB Cc1ncc2c(n1)[C@@H]1CN(C(=O)C3(C#N)CCCC3)C[C@@H]1N(CC1CC1)C2 1565555200 VVGDUZTWOGBNMA-MSOLQXFVSA-N 365.481 2.389 30 40 FEEB N#CC1(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)CCO3)CCCC1 1565545726 MPGHYTSTMGHTBO-UHFFFAOYSA-N 368.481 2.359 30 40 FEEB Cc1cc2nc(N(C)CCCc3n[nH]c(N)c3C#N)c3ccccc3n2n1 40071530 SCBKLEJPXHUEAD-UHFFFAOYSA-N 360.425 2.437 30 40 FEEB N#Cc1c(N)nc2c3c(sc(=N)c2c1N)NC(=O)C[C@@H]3c1ccccc1 100949191 DKEHVXLGLYZRNF-SECBINFHSA-N 362.418 2.286 30 40 FEEB C=C1c2ccccc2C(=O)N1CC(=O)NCCNc1cccc(F)c1C#N 53468945 OIYHRZSFYSQPCZ-UHFFFAOYSA-N 364.380 2.352 30 40 FEEB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 7267074 MVLZRXXVPWENHE-AWEZNQCLSA-N 366.421 2.464 30 40 FEEB CNS(=O)(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1C 8404438 UXSXMMLUUABFFG-ZDUSSCGKSA-N 373.434 2.181 30 40 FEEB C#CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58424292 QDQJSSPCZBFLIG-KXBFYZLASA-N 361.436 2.395 30 40 FEEB CCOc1cc(/C=N/n2c(=O)cn[nH]c2=S)cc(Br)c1O 5181942 GXKUOQIBJUYHMU-PJQLUOCWSA-N 371.216 2.050 30 40 FEEB Cn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1cccnc1 6607565 OUEFVGUQJZEDGV-UHFFFAOYSA-N 356.455 2.312 30 40 FEEB CCOc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cccc1[N+](=O)[O-] 409404893 FGCJITSYEPAUMZ-LWWSYDQCSA-N 355.350 2.135 30 40 FEEB COc1ccc(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 2297736047 XZVMWZVBJQTGDM-UHFFFAOYSA-N 368.242 2.319 30 40 FEEB N#Cc1ccc(OC[C@H](O)CNC[C@@H](c2ccco2)N2CCCC2)cc1 40160698 PVOVAMGOJIXORH-MJGOQNOKSA-N 355.438 2.318 30 40 FEEB O=c1[nH]cc(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1 2802373 MIWKQKCFPHPMCZ-UHFFFAOYSA-N 374.159 2.048 30 40 FEEB N#CC1(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)CCCC1 8747595 KLFFMJLLNIWIDE-UHFFFAOYSA-N 357.410 2.089 30 40 FEEB Oc1ccc2ccccc2c1/C=N/NC(=S)N[C@@H]1CN2CCC1CC2 1657157 XFQFDFWONSBRIF-MLHZQLSASA-N 354.479 2.438 30 40 FEEB C=CCN(CC=C)C(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1Cl 57509991 NNJPKLYBPHZRIJ-ZDUSSCGKSA-N 364.829 2.202 30 40 FEEB C/N=C1/S[C@@H](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1C 13118156 DQYXQWGEYYPASN-FZQCLQRZSA-N 369.468 2.040 30 40 FEEB Cc1cc(C)n(C[C@H](C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)n1 44654313 OBVCIECVAMOTAL-GFCCVEGCSA-N 369.469 2.062 30 40 FEEB COc1cc(/C=N/N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)ccc1O 5329575 DJKHQFIMQMHISN-PUMYGXPMSA-N 360.435 2.428 30 40 FEEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)c1ccnc(Cl)c1 54423396 WQJXNNDIEWHTJO-UHFFFAOYSA-N 354.771 2.215 30 40 FEEB C#CCOc1ccc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1 9296389 YKHGMZOMZSXRQX-MRXNPFEDSA-N 353.374 2.163 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 101310752 YFFFKJDGVICJRS-OVZRNVPMSA-N 352.481 2.315 30 40 FEEB O=C1[C@H]2[C@@H](C(=O)[C@]3(c4cc(Cl)ccc4Cl)O[C@@H]13)[C@@H]1C[C@@H]2[C@H]2O[C@H]12 101459584 PTPJTLPLTXWJEC-DBXKJLQXSA-N 351.185 2.389 30 40 FEEB CON(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 95468545 HGUHTRICZBWTPD-UHFFFAOYSA-N 358.419 2.063 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 5376584 TUPHGCOGKPLHKJ-IAOFPLEJSA-N 370.471 2.473 30 40 FEEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2nnsc2Cl)CC1 96689438 KPHVWINYQFQLNX-UHFFFAOYSA-N 350.835 2.251 30 40 FEEB COc1cc(/C=N\NC(N)=S)ccc1OCC(=O)Nc1cccc(C)c1 409007402 OKSPVPSYVHUBAF-JMIUGGIZSA-N 372.450 2.188 30 40 FEEB CCOc1ccc(N2/C(=N\C(=O)CC)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 32505322 GBDZUTUALMWVNB-OVZRNVPMSA-N 368.480 2.097 30 40 FEEB COc1cccc(/C=N/n2c(O)nc3c([nH]c4ccccc43)c2=O)c1O 2286082 ZDURUGIGYUYODR-DJKKODMXSA-N 350.334 2.180 30 40 FEEB N#CCOC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 3332339 CNLUSMCQPHPPFI-UHFFFAOYSA-N 371.374 2.221 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3F)C2=O)cc1 408535697 OMFGOZRTXDWNHY-CYBMUJFWSA-N 355.325 2.436 30 40 FEEB CO/N=C(\C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC 38825920 USSIUIGPBLPCDF-KEBDBYFISA-N 361.354 2.443 30 40 FEEB endogenous,in-man C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)CS2 107364381 HRDOTFVEJSQNFJ-LZQZEXGQSA-N 357.479 2.472 30 40 FEEB COc1ccc(/C=C/C(=O)NCCNc2ccc(C#N)cn2)cc1OC 24985143 KKZOHOKVECPCDG-VMPITWQZSA-N 352.394 2.212 30 40 FEEB CN(C)[C@@H](CNC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 23248934 GLWZIPRRGNMAPD-FPOVZHCZSA-N 353.466 2.385 30 40 FEEB CC(=O)C1=C(c2ccc(OC(F)F)cc2)N(C(C)=O)n2cnnc2S1 4761013 XMSNJKKPQZULDN-UHFFFAOYSA-N 366.349 2.428 30 40 FEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1OC 409039700 DBFZRXRNUCEQDY-CWYJKRFISA-N 366.417 2.481 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2sccc2c(=O)n1C 36802270 JKUQJRZGEIODRA-OAHLLOKOSA-N 350.469 2.142 30 40 FEEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCC(N)=O 100249156 IEBCYUOTWWFGIT-LPYMAVHISA-N 369.421 2.147 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2ccco2)c1 71837452 HBELYJZRBWEPID-CHWSQXEVSA-N 369.420 2.132 30 40 FEEB C#CCOc1ccc(CN2C[C@H]3CCCN3C[C@@H]2CCO)cc1OCC 19532184 QRETYUFHJBYENH-MOPGFXCFSA-N 358.482 2.128 30 40 FEEB C/C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100750215 WXEVZMZTHQDYCI-MQZJGPFGSA-N 360.410 2.098 30 40 FEEB biogenic C[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)N(C)CCC#N 48667532 WTBYWWXPEKXITM-LLVKDONJSA-N 360.277 2.060 30 40 FEEB CCOC(=O)c1c(NC(=O)CC)sc2c1CCC/C2=N/NC(N)=S 13941936 JZFUBHGTUIEFHV-NVMNQCDNSA-N 368.484 2.147 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 5516432 XXBHLGZVICJEFR-VVMFYBRISA-N 358.872 2.351 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@H](C#N)C(=O)N3)CC1 72445292 NEMHICDAHOBYLO-GJZGRUSLSA-N 363.421 2.230 30 40 FEEB CCN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@H]23)CC1 22457775 OURZJOAJOVHDAD-JLKUWVSASA-N 362.514 2.149 30 40 FEEB COc1ccccc1NC(=O)[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 12953928 SZLIQBQITVFIJH-OAHLLOKOSA-N 365.437 2.111 30 40 FEEB C#CC(CC)(CC)NC(=O)CN1CCC(NC(=O)c2ccccc2)CC1 14708334 AIWHQKVHJJQWPC-UHFFFAOYSA-N 355.482 2.189 30 40 FEEB COc1ccc(N2C[C@@H](/C(O)=N/c3nc([C@@H]4CCCO4)n[nH]3)CC2=O)cc1 95474754 UOYYCYRLTYUMBM-FZMZJTMJSA-N 371.397 2.306 30 40 FEEB O=C1/C(=C\c2csnn2)CN(CC(F)F)C/C1=C\c1csnn1 84338714 IIOHCQMFZZQSEM-WNZDWEBKSA-N 355.395 2.006 30 40 FEEB CCS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225633409 FHOQQMNWWGYZEU-GRDNDAEWSA-N 353.440 2.050 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)N[C@H](Cc1ccccc1)C(C)=O 5629901 IHHGBSXCNOFNKT-QGZVFWFLSA-N 352.390 2.262 30 40 FEEB O=C1/C(=C/c2cccc3[nH]ccc23)N(CCO)S(=O)(=O)c2ccccc21 12409644 TWSCVCMJTJMFOO-ATVHPVEESA-N 368.414 2.388 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1[N+](=O)[O-] 100237582 RLGVJTSLMWJIQA-ZGYZDUNMSA-N 351.362 2.290 30 40 FEEB COc1ccc(N2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)CC2)cc1 716687 OJVPEDLVDIRACR-UHFFFAOYSA-N 368.433 2.373 30 40 FEEB CN(C(=O)CN1CCN(C(=O)c2ccccc2)CC1)C1(C#N)CCCCC1 34887261 XDSOWOMLPJIWLW-UHFFFAOYSA-N 368.481 2.129 30 40 FEEB N#CC1(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)CCCCC1 11461041 BHGHNXFCLJEEBE-UHFFFAOYSA-N 353.378 2.028 30 40 FEEB C=CCn1c(SCC(=O)NC(=O)NCC)nnc1-c1ccc(F)cc1 3454846 OBQKLTBUTFFVLF-UHFFFAOYSA-N 363.418 2.208 30 40 FEEB COc1ccc(/C=N/Nc2nc(=O)c(Cc3ccccc3)n[nH]2)cc1OC 13638733 SITXSVLVNAGVFQ-UDWIEESQSA-N 365.393 2.219 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccncc2)cc1F 16751360 ODSKLLDVJSMXON-MRXNPFEDSA-N 356.353 2.100 30 40 FEEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCC(=O)OC 408930380 WFHULPKJGIDZIU-CFYUHYMKSA-N 364.423 2.169 30 40 FEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N\Cc1ccccn1 408536434 RIRZDPZVCCZZIB-VAODSVERSA-N 356.769 2.205 30 40 FEEB CC1(C)OB(c2ccc(-c3ncn([C@H]4CCCCO4)n3)nc2)OC1(C)C 642882578 OBQYFXQQJCQBNJ-OAHLLOKOSA-N 356.235 2.338 30 40 FEEB Cc1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1[N+](=O)[O-] 100237580 RLGVJTSLMWJIQA-PUUFFTKHSA-N 351.362 2.290 30 40 FEEB COc1ccc([N+](=O)[O-])cc1/C=N/n1c(C)nnc1-n1nc(C)cc1C 2742548 VOFWMXQLJUIHSR-RQZCQDPDSA-N 355.358 2.188 30 40 FEEB N#CCN1CCc2ccc(NS(=O)(=O)c3cccc(C(=O)O)c3)cc21 65565272 SXXZQOOVTAHZFA-UHFFFAOYSA-N 357.391 2.072 30 40 FEEB CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N(C)C1(C#N)CCCCC1 7018134 VWALRAUWJZHSGR-UHFFFAOYSA-N 360.433 2.381 30 40 FEEB N#Cc1ccccc1COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 7180069 PXLYUYRMHCFWJW-UHFFFAOYSA-N 350.783 2.216 30 40 FEEB Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\C[C@H]3CCCO3)NC2=O)c1 7882659 LMKYUMVUBRWWJC-HIFRSBDPSA-N 361.467 2.399 30 40 FEEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OCC#N 409408845 ZPFWMIRIAKATED-DFEHZGFQSA-N 365.389 2.129 30 40 FEEB COCc1cc(C)nc(N/N=C\c2ccc(OCC(=O)OC)cc2)c1C#N 32109667 MYJRTGGGLFOPGM-FBHDLOMBSA-N 368.393 2.406 30 40 FEEB C=CCN1C(=O)c2ccc(C(=O)OCc3cn4ccccc4n3)cc2C1=O 5254600 IXYMMOMYQWSBPM-UHFFFAOYSA-N 361.357 2.473 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CNC(C)=O)cc1 32768336 NPCCZYUZZARFKD-UHFFFAOYSA-N 351.406 2.491 30 40 FEEB O=C(NCC#Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12766273 IEVARKKGSZLZFP-UHFFFAOYSA-N 368.458 2.253 30 40 FEEB C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)O 6658951 PIUYYXCJYFSJDL-IIBSKXHVSA-N 373.386 2.332 30 40 FEEB CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cccc(F)c2C#N)C1 95999520 GBPQPQSKEOKITC-NSHDSACASA-N 363.418 2.176 30 40 FEEB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccc(C#N)cc1)C2 96237763 BLRLDSBZQPKZMJ-JOCHJYFZSA-N 374.444 2.122 30 40 FEEB Cc1cncc(O[C@@H]2CCOC3(C2)CN(C(=O)c2cccc(C#N)c2)C3)n1 575406553 YYORRMOATJWIQP-QGZVFWFLSA-N 364.405 2.109 30 40 FEEB O/N=C(\c1ccccc1)C12C3[C@@H]4[C@@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 103926668 WTEAORZRLOVQJG-QVVCNGDNSA-N 374.234 2.493 30 40 FEEB N#Cc1ccc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nc1 58179989 NZEPKDCQVNUXRT-IBGZPJMESA-N 362.481 2.387 30 40 FEEB N#Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)N1CCOCC1 12926008 YUKNIIWOOCPGSX-INIZCTEOSA-N 371.462 2.188 30 40 FEEB O=c1[nH]c2ccccc2c(=O)n1/N=C/c1cc(Br)ccc1O 13571324 AXUGHPITUOMWNG-CAOOACKPSA-N 360.167 2.040 30 40 FEEB N#Cc1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 14184126 JSQNWRMITZILSL-CYBMUJFWSA-N 367.430 2.258 30 40 FEEB CC/N=C(/S)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 6875818 LHVPWBDSOWLUGH-UHFFFAOYSA-N 353.922 2.014 30 40 FEEB Cn1cccc1C(=O)N1CC[C@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1 96218921 FZJQNVRSNWDUOZ-XLIONFOSSA-N 350.422 2.382 30 40 FEEB CC[C@@H](C(=O)NCc1ccc2c(c1)CN(c1ccncc1C#N)C2)N(C)C 1775993085 YAPYCIAUCQGPSJ-IBGZPJMESA-N 363.465 2.430 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1 16741081 UKRUUMFKDDBCSG-BKJYESAMSA-N 368.480 2.097 30 40 FEEB CC(=O)/C(=N\Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc(C)cc1C 6508479 NSCQJRTZPGAPKO-JJIBRWJFSA-N 365.393 2.469 30 40 FEEB CCN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)CC1 20112151 PWZIDACZWRSZDD-DOVHUEEUSA-N 362.514 2.151 30 40 FEEB biogenic N#Cc1c(F)cccc1NCCNC(=O)N[C@H]1c2ccccc2C[C@@H]1O 79158215 PXUCJHBSAOXMAG-ROUUACIJSA-N 354.385 2.067 30 40 FEEB N#Cc1ccc(NC(=O)CSc2nnnn2-c2cccc(F)c2)cc1 9054496 WUFCMNNVHHPQOP-UHFFFAOYSA-N 354.370 2.404 30 40 FEEB COc1cccc(/C=N/n2cnc3c([nH]c4cccc(OC)c43)c2=O)c1O 2411068 IJMMUKGHCHSFBI-ZVBGSRNCSA-N 364.361 2.483 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 3410719 TVHXFUYWNXYEBC-UHFFFAOYSA-N 371.368 2.182 30 40 FEEB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1 222631774 PRHHJPRFXJFYGJ-UHFFFAOYSA-N 373.434 2.262 30 40 FEEB N#C[C@@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@H]1c1ccc([N+](=O)[O-])cc1 618256029 DKSSVUKCULUNJL-GJZGRUSLSA-N 374.360 2.396 30 40 FEEB N#Cc1cc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)nc2ccccc12 1889139061 MACNJOXRXDFJMH-AWEZNQCLSA-N 356.451 2.157 30 40 FEEB O=[N+]([O-])c1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)o1 8801912 SKUFHMTWCCQOFP-GZTJUZNOSA-N 372.389 2.019 30 40 FEEB C#Cc1cccc(N(CC(=O)NC)C(=O)CCc2ccc3c(c2)OCO3)c1 58054584 BFCGESGUZAJHMZ-UHFFFAOYSA-N 364.401 2.108 30 40 FEEB CC(=O)NCCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 2662218 FSKRMBBIVFOKND-UHFFFAOYSA-N 361.452 2.167 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 5369965 SSCTXESVJNZKCE-SZGQWAQFSA-N 352.481 2.397 30 40 FEEB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1CCOCCC#N 555423039 VPGJBSMWKZGQND-CQSZACIVSA-N 360.380 2.366 30 40 FEEB C/N=C1\S/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)C(=O)N1C 16322455 QXKMRTXVTOIRFO-WPGDTJSYSA-N 350.396 2.079 30 40 FEEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1 3419575 NNJMLWZQBQHIME-UHFFFAOYSA-N 365.842 2.129 30 40 FEEB Cn1c(=O)c2c(ncn2Cc2ccc(-c3ccccc3C#N)cc2)n(C)c1=O 12541200 SRHVASJHMIKTQO-UHFFFAOYSA-N 371.400 2.021 30 40 FEEB CC(=O)C1=C(c2cccc([N+](=O)[O-])c2)N(C(C)=O)n2c(C)nnc2S1 1432451 MFBJIOCCILCQCM-UHFFFAOYSA-N 359.367 2.043 30 40 FEEB N#C/C(C(N)=O)=c1/ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31N=2 2294753 OHWJDSSZXTZAES-ZVIPKXTPSA-N 360.461 2.404 30 40 FEEB N#Cc1cccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 5429459 JNQNACNOTGGVSE-UHFFFAOYSA-N 358.419 2.158 30 40 FEEB O=C1C=CC(=NOS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C=C1 5555501 WTKKDUULUHNYNV-UHFFFAOYSA-N 354.343 2.162 30 40 FEEB N#C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2s1 4811664 SYJKCUYASQGEQV-DEDYPNTBSA-N 357.420 2.283 30 40 FEEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)C1CC1 5270123 JJTZOTSSFWENJK-OJVXUPTESA-N 370.883 2.351 30 40 FEEB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)NC(=O)N[C@@H]1C 5089328 KOYLMYJTRNUCJE-GFCCVEGCSA-N 374.466 2.489 30 40 FEEB C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2cccs2)c1 32842995 MQVBBHHOLZNADV-CYBMUJFWSA-N 362.476 2.493 30 40 FEEB N#Cc1cccc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 11253362 PDIIPJYKRXXMQP-GOSISDBHSA-N 369.446 2.190 30 40 FEEB CCOC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 18142841 KMTVBISJYVNNSS-UHFFFAOYSA-N 361.467 2.324 30 40 FEEB CC/N=C1\S[C@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC(=O)N1CC 18284639 HTHAQQWHMVTWJA-FKEVTRRJSA-N 363.439 2.142 30 40 FEEB C=CCSc1nnc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)s1 23078488 KWIRWAYVYATHBY-OQPBUACISA-N 356.498 2.209 30 40 FEEB C[C@H]1CN(Cc2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)C[C@@H](C)O1 95460642 PAURRBJAQBJUQW-DAYGRLMNSA-N 359.495 2.377 30 40 FEEB COCc1cc(C)nc(N/N=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)c1C#N 95483012 NKTSUJGSHFWNNL-UWVJOHFNSA-N 371.353 2.477 30 40 FEEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242688295 VMZGUXZAYLUGGS-YRGRVCCFSA-N 372.240 2.033 30 40 FEEB N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)n1 599769861 CHZHEWPTYAWSHY-UXEPBGEESA-N 371.828 2.774 30 40 FEEB CC1(c2nc(=NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)s[nH]2)CC1 600226482 CLYNQVUTPUKHIR-CQSZACIVSA-N 353.451 2.491 30 40 FEEB N#CCc1ccccc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 22828938 BBRLGIJSDHRRIE-UHFFFAOYSA-N 363.417 2.258 30 40 FEEB C=CCOc1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1OCC 4939846 DQSGOWIJCCKMPS-UHFFFAOYSA-N 371.441 2.362 30 40 FEEB COc1ccc(C2=[N+]([O-])[C@@](C)(C(=O)c3ccccc3)N(O)[C@@H]2OC)cc1 7813308 LOAJGWMQBKWIDB-RTBURBONSA-N 356.378 2.271 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)C(=O)NC1=S 1201533 QNZYGZCNZOASEL-GXDHUFHOSA-N 360.435 2.297 30 40 FEEB C[C@H]1CN(C[C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@@H](C)O1 106152884 GEBAHYTVBFVZJW-SOLBZPMBSA-N 357.454 2.037 30 40 FEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 106152823 RHPHOYVYFLXRPW-VXNCWWDNSA-N 371.481 2.426 30 40 FEEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NS(=O)(=O)c2ccccc2)n1 10382146 VDRXTNOECBFBAL-UHFFFAOYSA-N 368.422 2.260 30 40 FEEB Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(S(N)(=O)=O)cc1 100929397 SLMKETDWOXDSCC-YBFXNURJSA-N 356.407 2.284 30 40 FEEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCC(=O)O 409089929 PEVISKRIPNZTEA-GIJQJNRQSA-N 360.326 2.298 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 32502839 NEVCNDVCSYIWFG-BHQQRDBZSA-N 370.471 2.473 30 40 FEEB Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(=O)o1 206977016 XHUPSDCOMSQJEI-UHFFFAOYSA-N 374.418 2.052 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccccn1 102722993 MMZSLPUKQNUMEB-IBOXJLQUSA-N 355.394 2.048 30 40 FEEB C=CCNc1nc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cs1 22107834 AXQJDNPDPBLJSM-UHFFFAOYSA-N 356.407 2.414 30 40 FEEB Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(Cc3cccs3)c2=O)s1 56825389 CSYTZIGVUXAYOJ-CHHVJCJISA-N 369.496 2.416 30 40 FEEB Cc1noc(C)c1CSCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 58250745 CINSVZXFSIEEGR-UHFFFAOYSA-N 371.466 2.140 30 40 FEEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218152476 QJYYDIWGRMIQGV-OKZBNKHCSA-N 355.371 2.064 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CN(C(=O)[C@H]4COc5ccccc5C4)C[C@H]3C2)nc1 1888879431 TWYLTBCZKZVBLT-GUDVDZBRSA-N 374.444 2.099 30 40 FEEB N#CCc1ccc(NC(=O)CCCNC(=O)c2ccc3[nH]nnc3c2)cc1 79096978 GJDCYOVVGJXKLW-UHFFFAOYSA-N 362.393 2.173 30 40 FEEB O=C1C(=O)N(CCO)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)c1ccccc1 102863179 MJVFUISPMOZXBD-UYTDBDHRSA-N 368.345 2.009 30 40 FEEB CCOc1ccc(C#N)cc1NC(=O)Cn1cnc2ccc(F)cc2c1=O 48312389 IYVRLAOSJPQEGU-UHFFFAOYSA-N 366.352 2.445 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 14117861 YRDCNGFTZVAWFB-UHFFFAOYSA-N 372.432 2.097 30 40 FEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cccc([N+](=O)[O-])c1 408535892 OWONSMCLZNLGKC-UOVKNHIHSA-N 370.365 2.180 30 40 FEEB C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccnc1 573272352 CFIQKJHRGDBMTP-BEFAXECRSA-N 362.433 2.364 30 40 FEEB CCn1cc(C#N)c(=O)n(Cc2coc(-c3ccc(Cl)cc3)n2)c1=O 31794734 GPZKEBKDUCWBHE-UHFFFAOYSA-N 356.769 2.258 30 40 FEEB C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]12 6038042 OIGPMJCLTDSPPN-PQXSVQADSA-N 374.477 2.236 30 40 FEEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NC2CCCCCC2)C1=O 58181784 JZUDJKUALVBNFW-FQEVSTJZSA-N 368.437 2.164 30 40 FEEB COC(=O)c1ccc(Cn2cc(/C=N/NC(N)=S)c3ccccc32)o1 409389528 BVNUSHBCCCSTQI-UFWORHAWSA-N 356.407 2.236 30 40 FEEB CC[C@@H](C)NC(=S)N(C)CCc1cc2c(c(OC)c1/C=N/O)OCO2 100755428 ZPWIBHPEJSDTOH-PBFYJAPKSA-N 367.471 2.379 30 40 FEEB biogenic C=CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575420355 BCJAHBBOTRVAQI-KRWDZBQOSA-N 371.524 2.366 30 40 FEEB Cc1nc(N2CCN([C@@H](C)C(=O)NC(C)C)CC2)c(C#N)c(C)c1Cl 1888904152 BPYMAZYIPRJBLA-AWEZNQCLSA-N 363.893 2.259 30 40 FEEB C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)n[nH]c1=O 79106699 BBEWXLAMRJPCEE-VIFPVBQESA-N 370.381 2.478 30 40 FEEB CCn1c(N)c2c(=O)n(CC)c3c(c2c(C#N)c1=O)CCc1ccccc1-3 68754874 MQLCOTWMDWRQBJ-UHFFFAOYSA-N 360.417 2.422 30 40 FEEB C#Cc1cncc(C(=O)N2CCO[C@@](C)(CNC(=O)C[C@H](C)C(C)C)C2)c1 1775990365 AKCUQZBIJUZQLP-KKSFZXQISA-N 371.481 2.092 30 40 FEEB N#Cc1ccc(OCCNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CN)C2)cc1 599918797 KYRTVQIPVYGKCV-DZGCQCFKSA-N 370.375 2.106 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 5271791 YOXNFYGTYFAVEN-XQOGBDFBSA-N 352.481 2.431 30 40 FEEB CN1CCc2c(C#N)c(N3CCOCC3)nc(NCc3ccccc3)c2C1 12437232 BVZGILFPAKIDDL-UHFFFAOYSA-N 363.465 2.390 30 40 FEEB Cc1nnc([C@H](C)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 48275671 NIOXPBRCNSYUDM-NSHDSACASA-N 354.370 2.381 30 40 FEEB Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N2CCNC2=O)n1 9117815 DMXNNDLUXRPSEE-QMMMGPOBSA-N 358.345 2.313 30 40 FEEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1 19582759 MLLKZKZTERJLPU-KRWDZBQOSA-N 370.405 2.428 30 40 FEEB C[C@@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1sccc1C#N 7132244 JURFAZZSJLNEBD-LLVKDONJSA-N 359.407 2.208 30 40 FEEB CCCCCn1c(=O)[nH]c2cc(/C(O)=N/C[C@H]3CCCO3)ccc2c1=O 3906559 GQSPHZKXYGRTQK-CQSZACIVSA-N 359.426 2.364 30 40 FEEB O=S(=O)(/N=C(\O)c1ccc2c(c1)COC2)c1ccc2c(c1)OCCO2 50204647 KSZYDZFWTUXCFT-UHFFFAOYSA-N 361.375 2.182 30 40 FEEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccccc2C(=O)O)n1 10382144 FOMVWLVWBCLKGA-UHFFFAOYSA-N 362.349 2.101 30 40 FEEB COc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 60243441 MMIYDIDFNQVLKD-UHFFFAOYSA-N 371.418 2.141 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 32502841 NEVCNDVCSYIWFG-WBWGMUNBSA-N 370.471 2.473 30 40 FEEB CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cn2ccccc2c1C#N 32603868 IENIHRWEZDJWGL-ZDUSSCGKSA-N 352.316 2.453 30 40 FEEB CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 50357394 MPOSJFXVRKVRSK-JTQLQIEISA-N 353.762 2.413 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 100237607 KWYWMVFAEKHVOI-KSJPCXODSA-N 361.195 2.429 30 40 FEEB C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 58184695 JRXUBIGWYLKOAD-OWDMVUQNSA-N 368.437 2.020 30 40 FEEB CCOC(=O)[C@@H]1[C@H]2CCC/C(=N\NS(=O)(=O)c3ccc(C)cc3)[C@@H]21 104157887 SYEXJYQWAYIRHY-WWUZQYOVSA-N 350.440 2.239 30 40 FEEB N#CCCN(C(=O)Cn1cnc2ccccc2c1=O)c1ccc(F)cc1 12924638 HVCDPHNDQYXXBS-UHFFFAOYSA-N 350.353 2.482 30 40 FEEB COc1cc(/C=N/Nc2ncnc3[nH]cnc23)cc(Br)c1O 4106444 UZEZGAOHBMKBCL-RMOCHZDMSA-N 363.175 2.276 30 40 FEEB CC(=O)N[C@H](/C(O)=N/S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCCC1 48472803 BFEAKNRZAZUOBE-INIZCTEOSA-N 366.439 2.229 30 40 FEEB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC#N)cc2)cc1 226056387 YGXDTAMQCDEDMW-UHFFFAOYSA-N 373.434 2.020 30 40 FEEB C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@H](c2nc(C3CC3)no2)O1 598931729 OSTPZUHUMUJWCJ-MLGOLLRUSA-N 352.394 2.350 30 40 FEEB N#CCCN(CCC#N)C(=O)CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 50963344 FSILPSVSKQLJGE-IBGZPJMESA-N 372.444 2.463 30 40 FEEB CN(CC(=O)Oc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 3284664 UMKQAXOHOPMFBH-UHFFFAOYSA-N 364.810 2.438 30 40 FEEB CCN(C[C@H](C)C#N)C(=O)CCCN(C)S(=O)(=O)c1cccs1 56410671 MPPAZHCILQUZOA-CYBMUJFWSA-N 357.501 2.157 30 40 FEEB CN1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 22782791 PYQHUAKAECCZRV-UNMCSNQZSA-N 365.477 2.481 30 40 FEEB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)c([N+](=O)[O-])c1 28196444 UUSIXARPAYPHBI-UHFFFAOYSA-N 361.335 2.054 30 40 FEEB CCOc1ccc(/C=N/OCC(=O)NCc2ccc3c(c2)OCO3)cc1 3390365 KOIDYFAHQUBYBY-SRZZPIQSSA-N 356.378 2.481 30 40 FEEB Cc1nn(C/C(N)=N/OC(=O)c2cccc(Cl)c2)c(C)c1[N+](=O)[O-] 36612023 RRGLZMYLULNOGT-UHFFFAOYSA-N 351.750 2.191 30 40 FEEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 4248284 FJPZAZUTBYGKLK-CQSZACIVSA-N 366.421 2.152 30 40 FEEB C=CCOc1ccc(CN(CCC#N)CCN2CCOCC2)cc1OC 89429207 MMAAMFADSLFBBF-UHFFFAOYSA-N 359.470 2.308 30 40 FEEB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1 70462150 JWFKCMNKRNYPJK-UHFFFAOYSA-N 366.421 2.120 30 40 FEEB N#Cc1cc2c(N)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)sc2nc1N 18240440 JMEKHDMPHBTKLC-UHFFFAOYSA-N 354.351 2.493 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2cccs2)[C@H](C#N)C(=O)N3)CC1 101441634 YSBIFJZUABPAPV-AAEUAGOBSA-N 369.450 2.291 30 40 FEEB N#Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)Cn3cncn3)c2)cc1 40114636 XJTDJXDAIWSGAG-UHFFFAOYSA-N 364.340 2.180 30 40 FEEB COc1ccc(O)c(/C=N/n2cnc3c([nH]c4cc(OC)ccc43)c2=O)c1 2396933 OTMOKPACDLDBQV-ZVBGSRNCSA-N 364.361 2.483 30 40 FEEB N#Cc1ccc(N2CC[C@@H](OC(=O)c3cnc4ccccc4n3)C2=O)cc1 84605619 QHZRHYMVZHBWCX-GOSISDBHSA-N 358.357 2.464 30 40 FEEB CCc1ccc(/C(O)=N/S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 89286571 QBJQHOYROWHBAS-GFCCVEGCSA-N 372.443 2.486 30 40 FEEB NC(=O)COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 408764461 WXSNXERYOLFXNM-GDNBJRDFSA-N 353.403 2.442 30 40 FEEB C#CCOc1c(/C=N/n2cnnc2S)cc(Br)cc1OC 408818129 PAMMVKREFWCSNX-FRKPEAEDSA-N 367.228 2.232 30 40 FEEB CC[C@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 33918404 ABLNQMKQYJQVRR-QGMCKISCSA-N 362.422 2.260 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1ccncc1 5576872 KEVUIYWPXNACFT-GROYHEBESA-N 369.396 2.204 30 40 FEEB C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)O 6658899 PIUYYXCJYFSJDL-SOOGHKCXSA-N 373.386 2.332 30 40 FEEB N#Cc1ccc(NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)nc1 52386924 PRXHACJJSQHQSY-INIZCTEOSA-N 372.450 2.023 30 40 FEEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccnc2)s1 102741518 KEPYMBCOAUHQNV-MNWMYKRDSA-N 368.374 2.461 30 40 FEEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(O)cc1 102729814 LYNYTLQYXGLGOG-IBOXJLQUSA-N 357.362 2.443 30 40 FEEB C=CCN(c1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 24774572 MIHJSBLJZMKVFE-UHFFFAOYSA-N 370.430 2.305 30 40 FEEB CS(=O)(=O)Cc1cccc(/C(O)=N/S(=O)(=O)C2CCCCC2)c1 58071561 BXZAPXZXMNHEDJ-UHFFFAOYSA-N 359.469 2.198 30 40 FEEB Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 3342606 ZZCLFZAYWWXJII-UHFFFAOYSA-N 368.437 2.415 30 40 FEEB CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CCN(CCO)CCO)CC[C@@H]21 4027739 UTGGCPQMMNZKJB-DWLFOUALSA-N 373.493 2.374 30 40 FEEB biogenic CC/N=C1\S[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C(=O)N1CC 4699845 JYAMWUGHBQCJGF-XAGMJWQQSA-N 363.439 2.142 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 5887559 YFXGTINWOHLDQR-CQSZACIVSA-N 371.824 2.302 30 40 FEEB C=CCN(CC=C)C(=O)COC(=O)COc1ccc(C(C)=O)cc1OC 7781048 BIEPZCNGJODCQV-UHFFFAOYSA-N 361.394 2.020 30 40 FEEB Cn1c(C#N)ccc1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685943512 XRJSYZYVWGUILR-DJJJIMSYSA-N 351.410 2.351 30 40 FEEB O=C1C=CC=C/C1=C1/N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 100022643 FMSOAWSKCWYLBB-MXWIWYRXSA-N 373.368 2.112 30 40 FEEB CN(Cc1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 25103719 WKSFUNZDHBGZOK-BQFCYCMXSA-N 372.494 2.242 30 40 FEEB CC(C)c1cc(C(=O)Nc2cccc(C#N)c2)nn1[C@H]1CCS(=O)(=O)C1 11997153 DWFUXBXFPDGMDO-HNNXBMFYSA-N 372.450 2.490 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 5375689 YFFFKJDGVICJRS-XJFZTKQQSA-N 352.481 2.315 30 40 FEEB COc1ccc(NC(=O)C[C@H]2S/C(=N/C3CC3)NC2=O)cc1Cl 7126625 HNEUTNKPITZFGV-GFCCVEGCSA-N 353.831 2.427 30 40 FEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(C#N)CO)cc1 225640861 FAHZBRZTEJSCKF-GUDVDZBRSA-N 371.414 2.166 30 40 FEEB O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccc2nsnc2c1 90730894 NZYTUAMUKPZSMO-UHFFFAOYSA-N 367.386 2.232 30 40 FEEB Cc1ccc(-n2nnnc2SCC(=O)N[C@](C)(C#N)C(C)C)c(C)c1 3367821 KDNGFHGUZUATOB-QGZVFWFLSA-N 358.471 2.426 30 40 FEEB COc1ccc(S(=O)(=O)CCC(=O)Nc2sccc2C#N)cc1 10219516 XGDFUMCXMJRACQ-UHFFFAOYSA-N 350.421 2.431 30 40 FEEB C/C(=N\N=C(\C(=O)c1ccccc1)c1ccccc1)c1c(C)[nH]c(=O)[nH]c1=O 10304542 KYKLRVXQNAQDPX-DFYPRORVSA-N 374.400 2.468 30 40 FEEB C#CC(C)(C)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 100181152 ABSFHWNDWNMKMP-YOEYTUCGSA-N 352.434 2.469 30 40 FEEB N/C(=N/OCC(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 65205364 VBIVSSFXUJDPES-UHFFFAOYSA-N 351.378 2.248 30 40 FEEB CN1CCc2c(sc(/N=C/c3ccc(OCC(N)=O)cc3)c2C#N)C1 8091805 XYUJLDWBDLLMEJ-ZVBGSRNCSA-N 354.435 2.222 30 40 FEEB Cc1ccccc1-c1ccc2c(c1)S(=O)(=O)N(CC#N)Cc1cnnn1-2 306130225 IZMCIFINBKEMCV-UHFFFAOYSA-N 365.418 2.271 30 40 FEEB C=CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224435835 XHFIICYBACISSR-UHFFFAOYSA-N 374.462 2.432 30 40 FEEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 48548721 DFJHKOCPBSRQGI-UHFFFAOYSA-N 360.439 2.210 30 40 FEEB Cc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 15123960 UQKXWXLSSZEVNC-UHFFFAOYSA-N 372.450 2.168 30 40 FEEB N#Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c(F)c1 7095215 SYEPNQFSNLLXAR-UHFFFAOYSA-N 367.380 2.203 30 40 FEEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)c2cccs2)CC1 55941556 BLYKNEZQXIJDIE-CQSZACIVSA-N 368.462 2.405 30 40 FEEB O=[N+]([O-])c1ccc(O)c(/C=N\CC/N=C\c2cc([N+](=O)[O-])ccc2O)c1 103653274 YLTXOGYEOSBKDA-XFQWXJFMSA-N 358.310 2.452 30 40 FEEB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCCCC1 26016022 YWZVZAVBPVRYIL-CQSZACIVSA-N 360.410 2.487 30 40 FEEB CCOc1ccc(CN/C(O)=N/S(=O)(=O)c2ccc(OC)cc2)cc1 2399641 GBXQWOPOQSMMSM-UHFFFAOYSA-N 364.423 2.486 30 40 FEEB COCCCn1c(C)cc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1C 6948073 MCRKNDWLPYUXSK-UHFFFAOYSA-N 356.426 2.070 30 40 FEEB Cc1cc([N+](=O)[O-])ccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 16742002 UJXLZJHSIMUFSV-UHFFFAOYSA-N 373.328 2.087 30 40 FEEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@H]2c1ccc([N+](=O)[O-])cc1 18199998 BTQUJTCHHCKAQW-AWEZNQCLSA-N 354.370 2.427 30 40 FEEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C(N)=O)CC1 95953618 ZVGCWMXPMHKVJX-ZDUSSCGKSA-N 360.483 2.217 30 40 FEEB C=CCn1cnnc1SCC(=O)Nc1c(C#N)cnn1-c1ccccc1 58224650 XDIKCQNMKQFASI-UHFFFAOYSA-N 365.422 2.252 30 40 FEEB O=C1C(=O)N(CCO)[C@@H](c2ccncc2)/C1=C(\O)c1ccc(Cl)cc1 102690483 HGNKKYJVBAVLNZ-IDTYTIONSA-N 358.781 2.149 30 40 FEEB Cc1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1 24578255 JSUPKQOIQADBBW-UHFFFAOYSA-N 353.407 2.435 30 40 FEEB C#Cc1cccc(N(CC(=O)NC)Cc2csc(-c3ncccn3)n2)c1 58150607 KHHNSDCFGJIKEE-UHFFFAOYSA-N 363.446 2.334 30 40 FEEB CC(=O)NC1(/C(N)=N/OCC(=O)Nc2cccc(C#N)c2)CCCCCC1 48355581 FOIZLMRJMAGUMK-UHFFFAOYSA-N 371.441 2.015 30 40 FEEB C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)COC)n3)cc21 19820167 XZPFCUYAQKGFKJ-UHFFFAOYSA-N 359.407 2.306 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3F)C2=O)c1 408533636 KJORCZWOIGTRGA-CYBMUJFWSA-N 355.325 2.436 30 40 FEEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccco1 67870684 WDMXFYMDFLPJPS-YESZJQIVSA-N 362.543 2.072 30 40 FEEB biogenic,in-vitro N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1nc(-c2ccccn2)n[nH]1 1682317762 YLRNWBGJLFOWNE-HNNXBMFYSA-N 359.393 2.225 30 40 FEEB CCNC(=S)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OCC)c1 6154267 LCYAPSXCIBKEOH-REZTVBANSA-N 359.835 2.020 30 40 FEEB CCCCn1c(N/N=C\C=C\c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4597031 LHZKIAGLTAALJA-HGZPKWKRSA-N 366.425 2.335 30 40 FEEB N#CCCN(Cc1ccco1)C(=O)Cn1cc(C(F)(F)F)ccc1=O 31625399 ZKMFQQPTGJOEGL-UHFFFAOYSA-N 353.300 2.403 30 40 FEEB Cc1ccccc1N1/C(=N\C(=O)C(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 101312140 YWZWGSAJEGQBPX-QLXQBBHQSA-N 352.481 2.252 30 40 FEEB N#Cc1c(NC(=O)Cn2nnc(-c3ccccc3)n2)sc2c1CCC2 2788358 VLEQJEUTHFLIMX-UHFFFAOYSA-N 350.407 2.401 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 5489872 HGUCMUSCDIICCD-QPRSIOOTSA-N 352.481 2.315 30 40 FEEB Cc1cc(OCC(=O)O/N=C(\N)c2cccnc2)ccc1Br 4689290 JVJNBOONGVXXAL-UHFFFAOYSA-N 364.199 2.395 30 40 FEEB COc1cc(/C=N/OCC(=O)N2C[C@H](C)O[C@H](C)C2)ccc1OC(F)F 15979852 XALZXPDPTCOXQP-PQYCBWSQSA-N 372.368 2.283 30 40 FEEB N#C[C@@H](C1=NC(=O)CS1)[C@H](c1ccccc1)[C@H](C#N)C1=NC(=O)CS1 253568375 LDMBLUGOFPMASN-JYAVWHMHSA-N 368.443 2.394 30 40 FEEB N#Cc1ccc2c(c1)N(C(=O)C[C@@H](n1cccn1)C(F)(F)F)CC(=O)N2 598843850 KNIQSNSMCGESRS-CYBMUJFWSA-N 363.299 2.234 30 40 FEEB COc1ccccc1NC(=O)/C(=C/NC(=S)c1ccncc1)C(C)=O 16958442 LYQYUESVQPSFJF-SDNWHVSQSA-N 355.419 2.467 30 40 FEEB N#Cc1ccc(OC[C@@H](O)CNC[C@@H](c2ccco2)N2CCCC2)cc1 40160696 PVOVAMGOJIXORH-HKUYNNGSSA-N 355.438 2.318 30 40 FEEB CCOC(=O)C1=C(CSc2nc(C)c(C)c(C)c2C#N)NC(=O)NC1 11226720 AGCSSRJMPLZDAI-UHFFFAOYSA-N 360.439 2.101 30 40 FEEB Cc1cccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1C 101310695 PYWBTLKBGTUJMS-NHYXNVPJSA-N 364.492 2.315 30 40 FEEB C#CCN(C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCCCC1 60163641 OXUQJUORNPABHB-UHFFFAOYSA-N 360.479 2.417 30 40 FEEB C=CCN1C(=O)[C@@]2(NC(=O)c3oc4ccccc4c(=O)c32)c2ccccc21 12062796 JNPMBOJOKUKHRI-OAQYLSRUSA-N 358.353 2.313 30 40 FEEB CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2cc(C)on2)nc1C 7149351 TYDCSQUASSQXDN-UHFFFAOYSA-N 360.395 2.466 30 40 FEEB C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 408993773 FPFCDVMXCJORAO-UHFFFAOYSA-N 365.389 2.408 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@]1(C=O)NC(=O)OC(C)(C)C 218670721 JECBMPMDVUMSFF-VBQJREDUSA-N 371.430 2.189 30 40 FEEB Cc1ccc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c(C)c1 70462168 NCBANUGNYRXXQA-UHFFFAOYSA-N 364.449 2.485 30 40 FEEB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccnc(C#N)c2)cc1 583623747 QTHYCTHPTWBVRK-QUCCMNQESA-N 351.406 2.474 30 40 FEEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Br)ccc1O 254380364 AXUGHPITUOMWNG-UHFFFAOYSA-N 360.167 2.452 30 40 FEEB N#Cc1ccc(OC[C@@H]2CO[C@@H]3CN(C(=O)C4(C#N)CCCC4)C[C@H]23)cc1 1565552193 WGDROFFWHFLQPD-BHIYHBOVSA-N 365.433 2.494 30 40 FEEB O=C(O)CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 102524901 BLYKBNFUDWEBCE-IBOXJLQUSA-N 355.321 2.332 30 40 FEEB COC(=O)c1cc(NS(=O)(=O)c2ccccc2C#N)c(F)cc1F 24428290 DWULSHHHLPRLMS-UHFFFAOYSA-N 352.318 2.424 30 40 FEEB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#N)c1 12527172 OMBXWWXQJNVNKJ-UHFFFAOYSA-N 372.450 2.493 30 40 FEEB COc1ccc(C(=O)[C@H]2C(C#N)(C#N)[C@]23CC[C@@H]2CO[C@@H]3O2)cc1OC 100792778 DGCMRHAWYXCCBH-UMBPUVEWSA-N 354.362 2.072 30 40 FEEB Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\C[C@@H]3CCCO3)NC2=O)c1 7882656 LMKYUMVUBRWWJC-DZGCQCFKSA-N 361.467 2.399 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32504649 DPDGBJDYAWCKRF-VTMPUIQDSA-N 370.471 2.473 30 40 FEEB C=CCN1C(=O)C[C@H](c2cnn(C)c2)C12CCN(c1ccccn1)CC2 96199886 AUFHLJZRBPITAK-QGZVFWFLSA-N 351.454 2.356 30 40 FEEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 5445560 MNLIPMDYLIJHCT-QGZVFWFLSA-N 367.357 2.144 30 40 FEEB C#CC(C)(C)NC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 12185199 ABSFHWNDWNMKMP-PBOVLVJJSA-N 352.434 2.469 30 40 FEEB N#Cc1nccnc1N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889084250 XTVVNJISAQRGDH-BXUZGUMPSA-N 360.343 2.477 30 40 FEEB CC(=O)Nc1cccc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1 7735182 WNESHNFMDQHURO-CQSZACIVSA-N 357.391 2.443 30 40 FEEB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4291656 UDJJEEPAQMNLSF-AWEZNQCLSA-N 371.462 2.346 30 40 FEEB CCN(CC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NCCCOC 4295512 BKQWXJSUJHAKKE-CQSZACIVSA-N 355.442 2.236 30 40 FEEB C=CCn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccccc1OC 5131391 MGTAYYBQFNQMJA-UHFFFAOYSA-N 372.450 2.381 30 40 FEEB N#C[C@@H]1C(O)=NC(N2CCN(c3ccccn3)CC2)=NC12CCCCC2 18155296 LCCYJBVVTPSZCV-OAHLLOKOSA-N 352.442 2.372 30 40 FEEB C#CCN1CCC[C@H]1C(=O)Nc1cccc(-n2ccc(C(=O)OCC)n2)c1 75136813 SBEZTBMXKVWJAZ-SFHVURJKSA-N 366.421 2.085 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 5249695 AKJQTXLBCBVYOV-QPRSIOOTSA-N 352.481 2.397 30 40 FEEB COc1cc(/C=N/n2c(S)nnc2C(F)(F)Cl)cc(OC)c1O 8469716 JKNVBCKDABMGQG-FZSIALSZSA-N 364.761 2.460 30 40 FEEB N#CCCN(C(=O)CN1CCN(c2nccs2)CC1)c1ccc(F)cc1 35266957 GGEFLVAZDCJGSZ-UHFFFAOYSA-N 373.457 2.351 30 40 FEEB COCCCN1C(=O)CS/C1=N\c1cc(OC)c(OC)c(OC)c1 2740495 XMNSUQLJQXNLDS-MSUUIHNZSA-N 354.428 2.312 30 40 FEEB Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 13689223 OFDQKMKJJGDCPA-OAHLLOKOSA-N 374.466 2.228 30 40 FEEB C=CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C)C1=O 6440356 PMXBVWFNKSGTAC-PKNBQFBNSA-N 358.448 2.123 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1[N+](=O)[O-] 408723917 AIPAECZIXLLPRE-GMSXBSOFSA-N 355.350 2.135 30 40 FEEB C=CCN(CC=C)C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 5679732 VADUKSUTNFNSSL-SFHVURJKSA-N 359.451 2.032 30 40 FEEB C/N=C1\S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C 12631446 SIXQCTGDOVKUFL-QMLLPTRZSA-N 356.245 2.337 30 40 FEEB Cc1cc(C)c(C#N)c(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 3051050 UHSWRPBYOSZCML-UHFFFAOYSA-N 359.407 2.040 30 40 FEEB C=CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 8318345 KLGBNMZKUFGIFE-SFHVURJKSA-N 358.463 2.187 30 40 FEEB COc1cc(OC)cc(/C(O)=N/S(=O)(=O)c2cccc(OC)c2)c1 58186267 WYRHWIDJUPLKHL-UHFFFAOYSA-N 351.380 2.406 30 40 FEEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccc(O)cc2)CC1 58158639 ZQANXMRIYUBBAA-HNNXBMFYSA-N 350.422 2.413 30 40 FEEB N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1/N=C/c1ccc(Cl)cc1Cl 107559940 DKGFBWOOMIITLX-DXOZZKGNSA-N 364.279 2.476 30 40 FEEB OC1=c2ccccc2=N[C@H](c2ccc(O)cc2)N1/N=C/c1ccc(O)cc1 8913956 ISDGKYFXMIJLNK-BOURKTIISA-N 359.385 2.390 30 40 FEEB O=c1[nH]c(CSC/C(O)=N/c2ncn[nH]2)nc2sc3c(c12)CCC3 12974048 CVIIBYNHHCNHDJ-UHFFFAOYSA-N 362.440 2.113 30 40 FEEB N#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 408913159 SVJURPYAEZTHPG-XNTDXEJSSA-N 365.320 2.394 30 40 FEEB C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C 575424734 WHJHBVAQUAANAY-MRXNPFEDSA-N 357.497 2.057 30 40 FEEB N#Cc1cc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])cc1C#N 100096841 BMAFYQCEWBHPNE-WFASDCNBSA-N 361.361 2.124 30 40 FEEB biogenic C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O 3016007 DMKPZOOVFZJSON-UHFFFAOYSA-N 365.437 2.241 30 40 FEEB CCOC(=O)[C@@H](C(C)=O)C1=CC(=O)C(=O)c2ccc(Br)cc21 2075113 MJWNYPOJLBSNEM-AWEZNQCLSA-N 365.179 2.366 30 40 FEEB O=c1ccc(/C(O)=N/S(=O)(=O)c2ccccc2)nn1-c1ccc(F)cc1 48406653 TWMTXYZTLZGELD-UHFFFAOYSA-N 373.365 2.065 30 40 FEEB COc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc(OC)c1 5270088 LHDOWKLTJPOIFE-UHFFFAOYSA-N 355.394 2.452 30 40 FEEB C=C(C)C[C@H]1N(c2cccc(OC)c2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 5389817 NAMJXTOLLRLBNM-GFAJBQDWSA-N 355.390 2.401 30 40 FEEB Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1N 7737478 OSTGWZQTYGWEKJ-UHFFFAOYSA-N 362.484 2.233 30 40 FEEB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C4(C#N)CC4)cc3)ccc21 223030482 MQSOWMSMROCJMV-UHFFFAOYSA-N 369.402 2.487 30 40 FEEB N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(OC2CCC2)cc1 1264321927 KXDYRGWSMYWTOI-UHFFFAOYSA-N 367.409 2.302 30 40 FEEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cccc(S(=O)(=O)O)c1 12346548 LHXTXQHAIDVYLZ-SDXDJHTJSA-N 358.379 2.124 30 40 FEEB N#Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2)N2CCCN32)cc1 100793591 KBSZIIDSUPTJLQ-QYZOEREBSA-N 358.401 2.094 30 40 FEEB Cc1cccc(C)c1OCC(=O)NS(=O)(=O)Cc1ccccc1C#N 42307341 CJLNMAOQTZOKOK-UHFFFAOYSA-N 358.419 2.200 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 104116084 KAFVTCGZUOSTSC-IDTYTIONSA-N 354.318 2.313 30 40 FEEB CCN1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@@H]5[C@@H]32)CC1 100777367 OURZJOAJOVHDAD-OFRBEMTDSA-N 362.514 2.149 30 40 FEEB biogenic C=CCN1C(=O)/C(=C/Nc2ccc(N(CC)CC)cc2)C(=O)NC1=S 5024879 ZMEZNYYNIZZVBV-NTCAYCPXSA-N 358.467 2.258 30 40 FEEB C=CCn1c(N2CCC(C(=O)NCC(=O)OCC)CC2)nc2ccccc21 12145847 COSDKANXVZXKTA-UHFFFAOYSA-N 370.453 2.118 30 40 FEEB NC(=O)c1cncc(C#CC2(NC(=O)c3cscn3)CCCCC2)c1 12224521 FCQISIJLPCICBO-UHFFFAOYSA-N 354.435 2.121 30 40 FEEB N#CC1(C(=O)N2CCC3(CC2)CN(Cc2nccs2)CCO3)CCCC1 1565549052 OCJTYIQSRPNGSK-UHFFFAOYSA-N 374.510 2.420 30 40 FEEB Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(S(C)(=O)=O)ccc21 100859744 PKFPPWFLQWMYJR-ZPHPHTNESA-N 371.443 2.256 30 40 FEEB C=CC[C@@]1(CO)C[C@@H](O)[C@H]2[C@H](CC=C3CC4(CC[C@]32C)OCCO4)[C@H]1O 4831288 UATRNPBZSKTJEY-IOXPTURASA-N 364.482 2.163 30 40 FEEB CN(CCC#N)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11547693 RWCRHOWNGNVDGU-UHFFFAOYSA-N 370.384 2.029 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCO2 12914151 XIMZDFUVISKIQV-UHFFFAOYSA-N 353.378 2.206 30 40 FEEB COc1cc(C#N)ccc1OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12932828 FWGGQVYLXUVQKA-UHFFFAOYSA-N 361.357 2.442 30 40 FEEB C=CCN1C(=O)N=C(O)/C(=C(/CC)NNC(=S)Nc2ccccc2)C1=O 13865273 VZUVHVQZSXIWCL-OUKQBFOZSA-N 373.438 2.246 30 40 FEEB COc1cc(/C=N/[C@H]2CCS(=O)(=O)C2)ccc1OC(=O)c1ccco1 4815063 FVYMOTWSFZSCEJ-SGPNVBEDSA-N 363.391 2.113 30 40 FEEB C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 15359025 LFYPBQCWTYVUGH-LBPRGKRZSA-N 364.448 2.001 30 40 FEEB CCOc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409405465 HFASXWUNVGVTFH-KUDNYVPYSA-N 355.350 2.135 30 40 FEEB C=CCn1c(Nc2ccc(OC)cc2OC)nc2c(C)nn(C)c2c1=O 32652653 JZTLXBRBCFFSEZ-UHFFFAOYSA-N 355.398 2.385 30 40 FEEB CC1(C)OB(C2CCN(C(=O)N3CCN4CCC[C@H]4C3)CC2)OC1(C)C 1776007797 XKCHEPGHYBSUIK-INIZCTEOSA-N 363.311 2.445 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc2c(c1)OCO2 18156495 DMMNFOWFWDIRMO-UHFFFAOYSA-N 367.405 2.183 30 40 FEEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 11999312 UHPOVFFKKXOUGP-AYGAQVIVSA-N 370.471 2.079 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 100237282 JTXWSZAFELZYOI-QEEBRXPPSA-N 370.792 2.456 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 11750777 MPEOEFFUJHHUOM-UHFFFAOYSA-N 368.458 2.060 30 40 FEEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)COC1CCCCC1 48460556 PFKDWZZWOQSDDP-UHFFFAOYSA-N 355.412 2.468 30 40 FEEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1 19582756 MLLKZKZTERJLPU-QGZVFWFLSA-N 370.405 2.428 30 40 FEEB C#CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C1=O 3672793 ITTMTRQYBWGPGE-RSYJBZMQSA-N 361.375 2.217 30 40 FEEB Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H]2COc3ccccc3O2)n1 6606083 YCKODBVUPSKYRW-XHDPSFHLSA-N 358.375 2.011 30 40 FEEB N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1cccc([N+](=O)[O-])c1 6622496 UFPJKNKXVBIGBP-MNAFEPAFSA-N 373.756 2.293 30 40 FEEB C=C1[C@H]2C[C@@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O 100784124 CBOSLVQFGANWTL-AVRCIUCOSA-N 357.494 2.000 30 40 FEEB O=S(=O)(N/N=C/c1ccc(O)cc1)c1ccc(Br)cc1 2737875 TZWKJUAIPWYQOP-OQLLNIDSSA-N 355.213 2.467 30 40 FEEB N#Cc1c(NC(=O)Cn2nnc3ccccc3c2=O)sc2c1CCCC2 9025633 CLKVPOOCCLJWDM-UHFFFAOYSA-N 365.418 2.242 30 40 FEEB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc2cccc(C#N)c2)cc1 25101105 GJYQTZVHJSUNCR-HNNXBMFYSA-N 371.462 2.192 30 40 FEEB N/C(=N/OCC(=O)N1CCCCCC1)c1cccnc1N1CCCCC1 69584775 BZNILNBVJAJJHY-UHFFFAOYSA-N 359.474 2.111 30 40 FEEB CCN(CC)CCO[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 76093868 UNADFJPUARLGJV-LJQANCHMSA-N 358.486 2.320 30 40 FEEB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC#N)cc2)cc1 222757199 GYWOTPMIKGGHPF-UHFFFAOYSA-N 373.434 2.020 30 40 FEEB COC(=O)c1ccn(CSc2nncn2/N=C/c2ccccc2F)n1 2733803 HFKSQFGVMLLAOY-QGMBQPNBSA-N 360.374 2.032 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F 101314661 UHTIKIKQFBTNAJ-HJUNTIBCSA-N 368.455 2.146 30 40 FEEB COc1cc(CNC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)ccn1 1776007678 SXWPWEBVNPFOMT-AWEZNQCLSA-N 361.251 2.468 30 40 FEEB N#Cc1cnc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)c(Cl)c1 2087127156 ZZNSQJAZLVKUAU-ZDUSSCGKSA-N 370.787 2.070 30 40 FEEB C=CCOc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1 2248381 YCAWUAWWGVBKTC-FOWTUZBSSA-N 362.414 2.326 30 40 FEEB C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1 28291241 LJPQQPQAOQWMEY-INIZCTEOSA-N 362.451 2.234 30 40 FEEB C[C@@]1(NC(=O)c2ccc(COc3ccccc3C#N)o2)CCS(=O)(=O)C1 50907011 PYAYJDYWIPDNDR-GOSISDBHSA-N 374.418 2.037 30 40 FEEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)ccc1OC(F)F 32667904 MRLBPBVSRNWPDD-CQSZACIVSA-N 363.324 2.305 30 40 FEEB CC(C)CN1C(=O)/C(=N\Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 102114593 MXNHYJGOBNKMNN-FXBPSFAMSA-N 372.450 2.153 30 40 FEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 42233438 OGLYBZBSCIZYMA-LLVKDONJSA-N 364.810 2.484 30 40 FEEB Cc1cc(S[C@H](C)C(=O)NC(N)=O)n2c(nc3ccccc32)c1C#N 4404056 TZNHZHGMYIVUFG-SNVBAGLBSA-N 353.407 2.343 30 40 FEEB Cc1ccc(C[C@H](C#N)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N)cc1 12565998 SWLNZURHTASCRH-MRXNPFEDSA-N 372.432 2.402 30 40 FEEB N#Cc1ncccc1S(=O)(=O)N1CCC2(CC1)OCCc1ccccc12 579097247 VQSIJCZLPXQNQD-UHFFFAOYSA-N 369.446 2.206 30 40 FEEB O=S(=O)(/N=C(\O)CCc1nc(-c2ccccn2)no1)c1cccs1 40153186 YLVLVWLCDKAHED-UHFFFAOYSA-N 364.408 2.471 30 40 FEEB Cc1c(N/N=C2\C=CC(=O)c3ncccc32)c(=O)n(-c2ccccc2)n1C 100838633 HQSDLIDSZZORHT-CJLVFECKSA-N 359.389 2.448 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(O)c1 103873877 XBYHDXALNNDETN-HVESIFNPSA-N 353.374 2.460 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@H](c3cccc(Cl)c3Cl)[C@]12C#N 103021050 PAVLOZGXEKMXSF-UBHSHLNASA-N 351.193 2.428 30 40 FEEB COC(=O)c1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 5625580 RBPWZDWGVFLAIH-GIJQJNRQSA-N 368.422 2.114 30 40 FEEB Cc1ccc(C/C(O)=N/S(=O)(=O)c2cccc(S(C)(=O)=O)c2)s1 66517354 SFEOOVHQFWLKFK-UHFFFAOYSA-N 373.477 2.348 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)c1ccccc1 408707459 BKCHNBDWHKFRNP-OAHLLOKOSA-N 365.433 2.461 30 40 FEEB Cc1cc(C)n(-c2cc(N3CCN(c4cccnc4C#N)CC3)nc(C)n2)n1 1889148920 GZRLFJKUCJSHQH-UHFFFAOYSA-N 374.452 2.181 30 40 FEEB COc1ccccc1/C=C/c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1 8495831 GAQLNLOGFVLXOM-VOTSOKGWSA-N 352.394 2.427 30 40 FEEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccccn2)s1 102740953 KVBVJFOBTVMYFZ-REQDGWNSSA-N 368.374 2.461 30 40 FEEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 58983802 HHVCWUQFAKYJLP-MFOYZWKCSA-N 367.814 2.316 30 40 FEEB Cc1oc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C#N)c1C 36398680 XQIAWMPTGHDBDG-UHFFFAOYSA-N 365.393 2.075 30 40 FEEB C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nc2ccccc2c1=O 3524528 VQLAREACHFMFSI-UHFFFAOYSA-N 374.466 2.156 30 40 FEEB N/C(=N\OS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 4860762 TWTQTJRFFUBHMP-UHFFFAOYSA-N 355.759 2.274 30 40 FEEB Cc1c(C#N)c(NC(=O)CSc2nnnn2C)n(-c2ccccc2)c1C 8707149 GKTBUAWOSYBARL-UHFFFAOYSA-N 367.438 2.220 30 40 FEEB COc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cn1 408766236 STBUTSVYEDNDMC-LEBHLANCSA-N 368.418 2.165 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(C)cc1 32503168 RDYSDJRWVOHEPS-WPIBOPBSSA-N 366.508 2.392 30 40 FEEB CC1=CN(C)/C(=C/C(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)S1 1570001143 BLWLOUBYEISWEC-ZSOIEALJSA-N 364.448 2.498 30 40 FEEB CC(C)(C)c1nc2c(o1)NC(N)=C(C(N)=O)[C@@H]2c1ccc(OCC#N)cc1 5632616 ADQXFGBPOFISAC-LBPRGKRZSA-N 367.409 2.087 30 40 FEEB O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1ccc(F)cc1F 6145944 QHJRIJGUOSCQEU-LVZFUZTISA-N 366.389 2.433 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 5372264 MZQOWKNYSMRNTM-VFXRXHLTSA-N 362.835 2.100 30 40 FEEB O=C1COc2ccc(C(=O)C[n+]3ccc(C(=O)c4ccccc4)cc3)cc2N1 7743241 MLBDXJKPFBDZJI-UHFFFAOYSA-O 373.388 2.419 30 40 FEEB CC1(C)OB(c2cccc(S(=O)(=O)N3CCC(F)(F)C3)c2)OC1(C)C 1857795039 IESGOHVNUROQKO-UHFFFAOYSA-N 373.230 2.016 30 40 FEEB CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1N1CCOCC1 12517433 CHJZSUSVTWJWMC-UHFFFAOYSA-N 364.449 2.465 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 101301128 PDXHWEYEOZMVCB-DDGKQPTKSA-N 358.872 2.351 30 40 FEEB OC[C@@H](O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103537070 HYEQDVNUDQKZOF-SCSAIBSYSA-N 374.146 2.460 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1ccc(Br)o1 100237605 KWYWMVFAEKHVOI-RRODEMPJSA-N 361.195 2.429 30 40 FEEB N#CC1(NC(=O)CN2CCCN(Cc3ccccc3F)CC2)CCCC1 58208795 HOVVIWBRBVYVSK-UHFFFAOYSA-N 358.461 2.286 30 40 FEEB O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)c1 9359010 ZAKYEMIYFIYLET-LZYBPNLTSA-N 355.383 2.236 30 40 FEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225637749 GULZMGUKVRZKRD-QYZOEREBSA-N 357.431 2.446 30 40 FEEB C=CCN(Cc1ccccc1)Cn1nc(C(=O)NC)c2ccccc2c1=O 26688852 HBFQNVRYJKKBKX-UHFFFAOYSA-N 362.433 2.402 30 40 FEEB Cn1ccnc1[C@@H]1[C@@H](CNc2ncccc2C#N)CCC(=O)N1C1CC1 596561242 GFOOFZGBGDZLGP-PBHICJAKSA-N 350.426 2.241 30 40 FEEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C/c1ccc(OCC)cc1)N2 12819230 VAJMAEIWXDDYNC-KAMYIIQDSA-N 355.394 2.005 30 40 FEEB COC(=O)[C@@H](Nc1ccc(C)cc1)[C@@]1(O)OC(c2ccccc2)=CC1=O 16293142 RSTKEMBGEHGOAV-QUCCMNQESA-N 353.374 2.278 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(c4ccc(C(F)(F)F)nn4)C[C@@H]3C2)nc1 1889084214 GTGIJIUSBHYLAD-STQMWFEESA-N 360.343 2.335 30 40 FEEB N#Cc1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c(Cl)c1 1889108558 OZJBZIOAZJRJQA-UHFFFAOYSA-N 369.860 2.323 30 40 FEEB CN1c2cc(F)c(NC(=O)c3cccc(C#N)c3)cc2N(C)S1(=O)=O 575613260 QTZAEYJSTZWHJS-UHFFFAOYSA-N 360.370 2.080 30 40 FEEB CC(C)c1nc(OCC(=O)N2CCOCC2)c(C#N)c2c1COC(C)(C)C2 12324376 GRLKHODBUHEJIF-UHFFFAOYSA-N 373.453 2.166 30 40 FEEB CC(=O)Nc1ccc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1 7737681 QGKRXLQHFGRLSB-CQSZACIVSA-N 357.391 2.443 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309748 NRAWHIODSJYFAC-VFSNWDAESA-N 370.540 2.318 30 40 FEEB Cc1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1[N+](=O)[O-] 24574513 DNSHWUDMAGKHRN-UHFFFAOYSA-N 351.366 2.132 30 40 FEEB CCN(CC(=O)Nc1ccccc1C(N)=O)Cc1ccc(C#N)cc1F 58162578 MBZZVSJRJHSWEO-UHFFFAOYSA-N 354.385 2.257 30 40 FEEB N#Cc1cccc(S(=O)(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c1 12972602 NHKDXDLDWHHUHO-UHFFFAOYSA-N 355.419 2.010 30 40 FEEB CCOC(=O)CCc1c(C)nc(/N=C(\N)Nc2ccc(C)c(C)c2)[nH]c1=O 6089283 KJVLADQIRDCHIO-UHFFFAOYSA-N 371.441 2.249 30 40 FEEB CCOC(=O)COc1ccc(/C=N/n2c(C)nnc2S)cc1OCC 408850059 FBPRXBDKVJIYTD-RQZCQDPDSA-N 364.427 2.098 30 40 FEEB CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1F 20237281 ZUNLGVGPCZWZEG-UHFFFAOYSA-N 361.398 2.296 30 40 FEEB N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1 32736196 PSIRKDCSMHICHQ-UHFFFAOYSA-N 371.462 2.241 30 40 FEEB CN(C)CCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 19582359 PPTCHYNZSHSDOY-UHFFFAOYSA-N 373.460 2.349 30 40 FEEB C=CCN1CCO[C@@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@H]2C1 1565549927 JRVHQXYIBSZIJB-HNAYVOBHSA-N 355.438 2.106 30 40 FEEB COc1ccc(-n2nc(C(=O)N3CCCCC3)c(C)c(C#N)c2=O)cc1 1426326 JQNQYFGBECAXJX-UHFFFAOYSA-N 352.394 2.047 30 40 FEEB CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 5457987 DXWIWOSFRQWPLS-SFHVURJKSA-N 364.401 2.401 30 40 FEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)(C)N1CCOCC1 40007653 QLACDHZBXQAYTG-UHFFFAOYSA-N 356.426 2.091 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(O)c(OC)c1 102805697 LBRRCFCZCZHKAA-IBOXJLQUSA-N 373.361 2.062 30 40 FEEB N#CCCN(C(=O)CN1CCN(c2nccs2)CC1)c1ccccc1F 36400911 PNWVQHYLFVHBIP-UHFFFAOYSA-N 373.457 2.351 30 40 FEEB CCc1ccc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462165 QVDCBOYTSDEKRE-UHFFFAOYSA-N 364.449 2.430 30 40 FEEB CCOc1ccccc1S(=O)(=O)NCC#CCN(C)Cc1ccccc1 85470677 FERKDOYFLVCDHB-UHFFFAOYSA-N 372.490 2.499 30 40 FEEB C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 1775971265 QACPKBDFNMWYKN-GASCZTMLSA-N 360.435 2.212 30 40 FEEB CCOC(=O)/C(=N/Nc1cc([N+](=O)[O-])ccc1Br)C(C)=O 100844833 KRIAWPGPBVOONS-RVDMUPIBSA-N 358.148 2.277 30 40 FEEB COc1ccc(Cn2c(=O)c(C#N)cc3c(=O)n4cc(C)ccc4nc32)cc1 2227088 WYBVHHUFPXMDME-UHFFFAOYSA-N 372.384 2.246 30 40 FEEB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)C[C@H](C)C#N)C(C)C)c1 45851796 VBVZELPTQFEBJQ-DYVFJYSZSA-N 361.442 2.076 30 40 FEEB O=C(Cc1cccs1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13058132 YSYMBVGIUFXXFL-UHFFFAOYSA-N 363.464 2.400 30 40 FEEB C=CCN1/C(=N/C(=O)CC2CCCCC2)S[C@H]2CS(=O)(=O)C[C@H]21 13626396 NGHSJBKEGDXWCM-HJPHCXOUSA-N 356.513 2.240 30 40 FEEB COC(=O)c1ccc(/C=C/C(O)=N/S(=O)(=O)c2c(C)noc2C)cc1 84025681 WMCCRSQNFZIITM-RMKNXTFCSA-N 364.379 2.437 30 40 FEEB O=S(=O)(Cc1ccccc1)/N=C(\O)C1CCN(c2cnccn2)CC1 80252506 OVQJTYTZTGUDEM-UHFFFAOYSA-N 360.439 2.180 30 40 FEEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)OCCO3)c1 40145341 BXZKZZSNUNRGIX-UHFFFAOYSA-N 361.375 2.354 30 40 FEEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)n1 12532826 NDTZQIBIYRQLHT-UHFFFAOYSA-N 366.446 2.483 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 101299338 XXBHLGZVICJEFR-AZNAFKMUSA-N 358.872 2.351 30 40 FEEB CCOC(=O)c1cc(C#N)c(SCC(=O)NCc2ccccc2)nc1N 59499050 HPNLDVHMMRDFTC-UHFFFAOYSA-N 370.434 2.121 30 40 FEEB CCc1n[nH]c([C@@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)n1 95430528 UVUHYMMXMOAQKV-KRWDZBQOSA-N 354.458 2.290 30 40 FEEB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1(C#N)CCCC1)C2=O 8746230 ATLMMZZCLVFRFP-UHFFFAOYSA-N 374.485 2.466 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccncc3Cl)C2)cc1 575608431 YBQFAIAWCITUPJ-ZDUSSCGKSA-N 363.826 2.449 30 40 FEEB C=CCOc1cccc([C@H](CC(=O)OCC)c2oc(CO)cc(=O)c2O)c1 71280169 UDXPWFBTTQKQDE-INIZCTEOSA-N 374.389 2.488 30 40 FEEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1cccc(S(=O)(=O)N(C)C)c1 43903464 XLPBPYAYISZDGK-LDADJPATSA-N 361.423 2.471 30 40 FEEB COC(=O)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccc(OC)c2)cc1 6304682 ZCRGMYJLZVLEGC-INIZCTEOSA-N 367.357 2.348 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 32506199 OHIXNIFYWWSXSB-ZHSKUJSZSA-N 352.481 2.334 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc(Br)o1)[C@@H]1C[C@H]31 226669026 KWYWMVFAEKHVOI-MVWJQKHCSA-N 361.195 2.429 30 40 FEEB Cc1noc(C)c1CC(=O)N[C@H]1CC[C@H](Oc2nccnc2C#N)CC1 252522994 BPRPKMUIZVKDBE-HDJSIYSDSA-N 355.398 2.002 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@]12C#N 100215590 AWROAYYIUQYNID-BNOWGMLFSA-N 351.193 2.428 30 40 FEEB CC/N=C1/S[C@H](CC(=O)Nc2sccc2C(=O)OC)C(=O)N1CC 14730250 CGLJKNYQMIFTHA-ZAUPALIDSA-N 369.468 2.203 30 40 FEEB CCOC(=O)c1c(N(C)C)ncc2c1CCN(C(=O)C1(C#N)CCCC1)C2 1565553663 HGWQVQZLMWBQSU-UHFFFAOYSA-N 370.453 2.293 30 40 FEEB C#CCn1/c(=N/C(=O)c2ccco2)sc2cc(S(C)(=O)=O)ccc21 100875470 NSYXWBSMNRPPSH-MSUUIHNZSA-N 360.416 2.074 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 101305539 AKJQTXLBCBVYOV-QLXQBBHQSA-N 352.481 2.397 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 5376592 TUPHGCOGKPLHKJ-BCHHYXHLSA-N 370.471 2.473 30 40 FEEB CCN(C[C@H](C)C#N)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 58183588 KOAUKGLNTSFVCC-CQSZACIVSA-N 351.472 2.337 30 40 FEEB COc1ccc(C2CC(=O)C(=C3N[C@@H]4CCCC[C@H]4N3)C(=O)C2)c(OC)c1 9287933 JSINZUVYAIZKTP-HZPDHXFCSA-N 370.449 2.435 30 40 FEEB O=S(=O)(/C=C/c1ccccc1)/N=C(\O)c1ccc(N2CCCC2)nn1 84517612 LYLFJQYCJPRVTB-JLHYYAGUSA-N 358.423 2.382 30 40 FEEB COCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)S1 7882751 OTEZQECXZSBBLR-OAHLLOKOSA-N 357.435 2.402 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1C 101303503 ZXSPPLMVZKJYDY-OWXUFASKSA-N 358.872 2.270 30 40 FEEB COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccnc1 6136170 VOXZETFKTJMMCK-KRWDZBQOSA-N 368.389 2.315 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 5516557 ZRVIAQNUNWXELW-XTJHUYNNSA-N 358.872 2.351 30 40 FEEB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)/N=C1/NCCS1 96602540 PETMHLIPWZGCIG-RMKNXTFCSA-N 353.450 2.003 30 40 FEEB C#CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2OC)C1=O 409233935 IRBNOZAYLWNGOR-WJDWOHSUSA-N 358.419 2.201 30 40 FEEB Cn1ccnc1[C@@H]1[C@@H](CNc2cccc(C#N)n2)CCC(=O)N1C1CC1 596561769 KXJALTLGQBUPQL-ACJLOTCBSA-N 350.426 2.241 30 40 FEEB CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)C1(C#N)CCCC1)CCC2 1565553739 CZMKTZHMQXIBRV-UHFFFAOYSA-N 371.485 2.475 30 40 FEEB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(CC)c(C#N)c(=O)n12 1016916 QUNXGIQIYMOODQ-UHFFFAOYSA-N 371.784 2.144 30 40 FEEB C=CCNC(=O)CN1CCN(C(=O)c2ccc(SC(C)C)cc2)CC1 55078492 URLGTEAUUOUUHH-UHFFFAOYSA-N 361.511 2.247 30 40 FEEB C=CCOc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 113866004 HOVILPBIIDNTDO-UHFFFAOYSA-N 366.826 2.218 30 40 FEEB CC1CCC2(CC1)NC(=O)N(/N=C/c1cc3c(cc1[N+](=O)[O-])OCO3)C2=O 3413498 WBPJPIMDUPDTDJ-QGMBQPNBSA-N 374.353 2.158 30 40 FEEB CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccccc2C#N)nn1 216757767 JGRYDTNXQFWCDD-IBGZPJMESA-N 358.405 2.419 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245229322 UJADGYYPDMOHQB-XAKIWQQISA-N 370.540 2.318 30 40 FEEB N#Cc1ccc(CN2CC[C@]3(CCC[C@H]3C(=O)N3CCOCC3)C2)cc1 253614407 BGNADSOGGYZTSL-PZJWPPBQSA-N 353.466 2.409 30 40 FEEB N=C(N)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 5739490 QRDUENKISWLVKL-KWPCUBQOSA-N 353.338 2.084 30 40 FEEB O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1/N=C\c1ccc[nH]1 5760659 GRMWTZZEPUMKNU-WNFQYIGGSA-N 350.300 2.243 30 40 FEEB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC1(C#N)CCCCC1 12825725 WEIBBBKCNUCMLW-ATVHPVEESA-N 369.421 2.049 30 40 FEEB COc1cc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc(OC)c1O 12322574 JNAASYFXWWQGGV-AWEZNQCLSA-N 358.354 2.378 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1O 105182493 HIGSFETWXVOBRR-CHHIFSMNSA-N 352.390 2.322 30 40 FEEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 5341861 UMXBNQAFWFFVOQ-TWWIOWFMSA-N 356.444 2.083 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccnc2)cc1 5409000 YESNNHZCBSJHNG-GUYCJALGSA-N 352.390 2.349 30 40 FEEB CO/N=C/Nc1nc2nccc([C@@H](C)Oc3ccc([N+](=O)[O-])cc3)n2n1 8781506 MYWIRGHDTWOGKP-SNVBAGLBSA-N 357.330 2.174 30 40 FEEB Cc1ccc(S(=O)(=O)/N=C(\O)NC2CC(C)(C)NC(C)(C)C2)cc1 25329827 YYVQXZLATDWGPF-UHFFFAOYSA-N 353.488 2.497 30 40 FEEB C#CCN(CC(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1 48313144 HUDWEXSJTQBBEO-UHFFFAOYSA-N 364.511 2.451 30 40 FEEB C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]12 17375944 OIGPMJCLTDSPPN-UHOPTPOQSA-N 374.477 2.236 30 40 FEEB Cc1nnc(N/N=C/c2ccccc2O)nc1N/N=C/c1ccccc1O 27988829 NIEYCZJFFIQJHT-ROUMAOROSA-N 363.381 2.483 30 40 FEEB COc1cc(C#N)ccc1OCc1nnc2n(C)c(=O)c3ccccc3n12 9118477 DIFDIJZPBFMIOV-UHFFFAOYSA-N 361.361 2.040 30 40 FEEB C#CC(CC)(CC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 9743244 XBPHJIJNBYYPTO-IBGZPJMESA-N 355.438 2.070 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 7784192 YCCSYIBEMLPART-HXUWFJFHSA-N 374.437 2.377 30 40 FEEB C=C[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 5530228 KQBJOLMOYBZETE-LBPRGKRZSA-N 356.451 2.447 30 40 FEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1 5812780 GYOCWOPZCYDKFB-UHFFFAOYSA-N 372.768 2.383 30 40 FEEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccc(C(=O)O)cc1 13574768 LRTHAIYDCLRQAA-CYVLTUHYSA-N 367.321 2.484 30 40 FEEB N#Cc1ccccc1N1CCN(Cc2nnc([C@H]3CCCOC3)o2)CC1 591694276 CTODVMQXVBFPEC-INIZCTEOSA-N 353.426 2.157 30 40 FEEB CSc1nc2c(c(N3CCN(c4cc(C#N)ccn4)CC3)n1)CCC2 1888857270 ZNQVCUPZTFRUAK-UHFFFAOYSA-N 352.467 2.280 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@H](c3ccc(Cl)cc3Cl)[C@@]12C#N 19933225 AWROAYYIUQYNID-IACUBPJLSA-N 351.193 2.428 30 40 FEEB N#Cc1cc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])cc1C#N 4088219 BMAFYQCEWBHPNE-SWLSCSKDSA-N 361.361 2.124 30 40 FEEB CC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3C#N)CC2)cc1 3288764 CBZGHYUIZUKZGY-UHFFFAOYSA-N 363.417 2.488 30 40 FEEB COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CSCC#N 58218056 AFZVMYRAYCJNRH-UHFFFAOYSA-N 368.358 2.184 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)Cc2c(C)noc2C)c(OC)c1 48611702 YHILIGYMGMOLRV-UHFFFAOYSA-N 354.384 2.197 30 40 FEEB C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3s2)c1 9514595 RMYLMPRBGPNKCA-UHFFFAOYSA-N 371.443 2.460 30 40 FEEB CC(=O)N1CCN(/C(O)=N/CCc2cscn2)CC12CCCCC2 329042929 OVGXOABIOXLLGL-UHFFFAOYSA-N 350.488 2.467 30 40 FEEB C=CCN1CC[C@]2(CN(Cc3nccn3C)C[C@H]2c2ccccc2)C1=O 96201893 LMOIHCATWAYEEN-GHTZIAJQSA-N 350.466 2.424 30 40 FEEB COc1ccc([C@H](CN/C(N)=N/C[C@H]2CCCO2)N2CCCCC2)cc1 58193461 RLJQDNAZEWVQPH-MOPGFXCFSA-N 360.502 2.306 30 40 FEEB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C#N)CC2)s1 14139054 JFJZHBDGKQQZRU-UHFFFAOYSA-N 361.492 2.435 30 40 FEEB N#CC1(C(=O)N2CCOC[C@H]2c2nccc(NC3CCC3)n2)CCCC1 1565546083 VJJXVCJPGALZKJ-HNNXBMFYSA-N 355.442 2.425 30 40 FEEB N#Cc1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 608884971 VOVWSHPCLNKBPY-UHFFFAOYSA-N 362.842 2.118 30 40 FEEB CN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccccc2C#N)cc1 11693750 WTMBODFOPICGPV-UHFFFAOYSA-N 350.422 2.312 30 40 FEEB COCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S1 7882730 UVKGBZBFXPBHNW-HNNXBMFYSA-N 357.435 2.402 30 40 FEEB COc1ccc([C@@H](CN/C(N)=N/C[C@@H]2CCCO2)N2CCCCC2)cc1 58193457 RLJQDNAZEWVQPH-RBUKOAKNSA-N 360.502 2.306 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 101306190 TUPHGCOGKPLHKJ-HJUNTIBCSA-N 370.471 2.473 30 40 FEEB CCC(C)(C)N/C(=N/[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O)NC#N 13742821 XOYZVGFXSLYSCF-JKSUJKDBSA-N 355.442 2.336 30 40 FEEB C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC)c1C 24009475 YWRWVEHKMWCVTL-CYBMUJFWSA-N 350.415 2.388 30 40 FEEB C=CCSc1nnc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)s1 23078490 KWIRWAYVYATHBY-ISVAXAHUSA-N 356.498 2.209 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 48584697 ZYBWUMUHMNQDIU-SNVBAGLBSA-N 358.416 2.254 30 40 FEEB CC(C)(C#N)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 4511580 KOSSAPLMNLJQJT-KRWDZBQOSA-N 371.462 2.411 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1C 5486763 SXNCFKPVHORKBH-PDOPJTIDSA-N 358.872 2.270 30 40 FEEB CCNC(=S)N/N=C/c1cc(Cl)c(OCC(=O)OCC)c(OC)c1 409373431 SKVMWVFHBNGXQG-QGMBQPNBSA-N 373.862 2.108 30 40 FEEB C#CCCC1(CCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(O)cc3)C2)N=N1 1616030588 DSEQAQSUEGYLHK-JKSUJKDBSA-N 355.394 2.375 30 40 FEEB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(CC#N)cc3)C2=O)o1 58217391 AJNSQZCHZMFOKC-IBGZPJMESA-N 366.377 2.060 30 40 FEEB COC(=O)Cn1ncc([C@@H](C#N)c2nc3ccccc3s2)c(Cl)c1=O 5447506 ARNOPVZJYLSHDW-SECBINFHSA-N 374.809 2.335 30 40 FEEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 15508668 ZFSWPYKAFDLATK-TXEJJXNPSA-N 372.874 2.054 30 40 FEEB COc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)ccc1O 870974 WKOXXIPBHZBCKM-QGZVFWFLSA-N 354.362 2.280 30 40 FEEB biogenic C=CCNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 4895229 ZXPRWTBLBVUGIL-UHFFFAOYSA-N 367.375 2.389 30 40 FEEB N#Cc1cccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 24002014 ZLMNZWCPJRLMCL-UHFFFAOYSA-N 359.426 2.204 30 40 FEEB C[C@@H]1CN(C[C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)C[C@@H](C)O1 106152881 GEBAHYTVBFVZJW-JFIYKMOQSA-N 357.454 2.037 30 40 FEEB C=CCN1/C(=N\C(=O)CCC2CCCC2)S[C@H]2CS(=O)(=O)C[C@@H]21 101224945 OCDMVFYOOZBOBV-QLXQBBHQSA-N 356.513 2.240 30 40 FEEB CCc1nc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nn1-c1ccccc1Cl 58224942 AUOXEUYRDUCUJB-UHFFFAOYSA-N 366.772 2.202 30 40 FEEB COc1ccc(/C=C2/SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 28120588 FHORBLISVLTCQB-DTQAZKPQSA-N 356.451 2.197 30 40 FEEB CCCCS(=O)(=O)N1CCC(C(=O)Nc2snc(C)c2C#N)CC1 331278013 YXZBGPSDZSGBRR-UHFFFAOYSA-N 370.500 2.104 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)C(=O)NC1=S 231190307 LCRZQMJAMJAJGW-JLHYYAGUSA-N 360.435 2.297 30 40 FEEB CC(=O)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 14250539 FBBCAFRZYDITNG-ZDUSSCGKSA-N 374.510 2.380 30 40 FEEB Cc1cc(NC(=O)[C@@H](C)N2CCCN(c3ccc(C#N)cc3)CC2)on1 52800046 RWWKWDBYKZULRV-OAHLLOKOSA-N 353.426 2.394 30 40 FEEB N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 23409207 OTRYHEPOFSTRCK-UHFFFAOYSA-N 373.478 2.076 30 40 FEEB C=C[C@@H](C)n1c(=O)c2c(nc3n2CCN3c2ccc(CC)cc2)n(C)c1=O 13815183 PMKHEYDCFHKXTI-CYBMUJFWSA-N 365.437 2.358 30 40 FEEB COc1ccc(-c2nc3c(cc2C#N)c(=O)n(C)c(=O)n3CC(C)C)cc1 6558846 NXJZLQSXOOAJIM-UHFFFAOYSA-N 364.405 2.298 30 40 FEEB C=CCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(OC)cc1 33141753 YJSSBXKJNROCFU-UHFFFAOYSA-N 366.464 2.498 30 40 FEEB N#Cc1ccc(OC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1 90607621 WVMULYKWFPTQMP-UHFFFAOYSA-N 351.362 2.366 30 40 FEEB CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccc(C(=O)c2ccccc2)cc1 12412989 XOOIAKXNFGBJCC-QNGOZBTKSA-N 365.418 2.147 30 40 FEEB N#Cc1ccccc1OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 5830095 PDVWFAYBENPSNU-KRWDZBQOSA-N 370.430 2.157 30 40 FEEB Cc1nc2ccc(OCC3CCN(c4nccnc4C#N)CC3)nn2c1C 1888875797 WHOAUDDYEITSTN-UHFFFAOYSA-N 363.425 2.303 30 40 FEEB C=CCn1c(SCC(=O)NCCCN2CCCC2=O)nc2ccccc21 12530468 SWYFPNLAXLVKAD-UHFFFAOYSA-N 372.494 2.443 30 40 FEEB Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 11905646 ZCDFNDAGLCFASH-KEBDBYFISA-N 367.340 2.278 30 40 FEEB Cc1nc(/N=C(/N)Nc2cccc(C(F)(F)F)c2)[nH]c(=O)c1CC#N 20555602 GXDPTALWHOGEMZ-UHFFFAOYSA-N 350.304 2.222 30 40 FEEB CCOC(=O)C1CCN(CC(=O)N(CCC#N)c2ccccc2F)CC1 7663523 ARLCBGQFKATKCX-UHFFFAOYSA-N 361.417 2.347 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)c3ccco3)C[C@H]2c2nccs2)C1=O 306135254 OLVLRAAZJSZIGU-SCLBCKFNSA-N 357.435 2.380 30 40 FEEB N#Cc1ccc(OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 22375453 HPYIUNRDUVFJQG-UHFFFAOYSA-N 357.454 2.088 30 40 FEEB C=CCNC(=O)COC(=O)c1nccnc1-c1nc2ccccc2s1 12795243 DHBMOMQEGAGJRU-UHFFFAOYSA-N 354.391 2.212 30 40 FEEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 12935201 FZXCDQUDRPBBPP-AWEZNQCLSA-N 363.373 2.321 30 40 FEEB CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1C 5486741 SXNCFKPVHORKBH-ZHNYTEGSSA-N 358.872 2.270 30 40 FEEB N#Cc1c(NC(=O)Cn2nnc(-c3cccs3)n2)sc2c1CCC2 9737483 XNCRSWHESYLAQY-UHFFFAOYSA-N 356.436 2.462 30 40 FEEB N#Cc1c(N2CCN(c3ccccn3)CC2)cc(-c2cccnc2)oc1=O 38244424 CKOBNZCBNTZETE-UHFFFAOYSA-N 359.389 2.295 30 40 FEEB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1 49997349 WSFZYYHRVOBIIT-UHFFFAOYSA-N 365.455 2.236 30 40 FEEB CC(C)(C)c1nc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)no1 58185723 ZUNLZFWTSVAXMD-GOSISDBHSA-N 353.382 2.206 30 40 FEEB C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 5006893 CJHDGXCAKDVQHM-FOWTUZBSSA-N 370.430 2.357 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccn2)cc1 13122782 YVFQGWLZSMAUIU-CXAGYDPISA-N 352.390 2.349 30 40 FEEB COC(=O)c1sc2c(c1/N=C/N1C[C@H](C)O[C@@H](C)C1)NC(=O)CS2 100933971 IFURXWRPCMPIOV-YQMQMXSHSA-N 369.468 2.348 30 40 FEEB C=CC[C@@]1(Cl)C(=O)C(Cl)=C(NCCCC(=O)OC)C1(OC)OC 100747328 CUXOALBLUZGGKR-CQSZACIVSA-N 366.241 2.105 30 40 FEEB biogenic CCCCCCCCN(CCOCCOCCO)C(=O)CCC(=O)O 100924190 YSFUSZHBGUKRCF-UHFFFAOYSA-N 361.479 2.066 30 40 FEEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 4248286 SFKDWEGQWCJQOQ-CQSZACIVSA-N 366.421 2.152 30 40 FEEB Cc1cc(Nc2ccncc2S(=O)(=O)/N=C(\O)NC(C)C)ccc1O 65743032 BJCCDWZGWOVSPR-UHFFFAOYSA-N 364.427 2.440 30 40 FEEB in-vitro Cc1ccccc1NC(=O)CN(C)S(=O)(=O)Cc1ccc(C#N)cc1 9386750 OGRNRIAMCPOTHW-UHFFFAOYSA-N 357.435 2.267 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N\Cc2ccccc2)C1=O 408534587 MJBUJLFJTGFAMZ-FAPYRAKZSA-N 351.362 2.165 30 40 FEEB CCCCNC(=S)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 34798100 ZRTWKRBFWSMLLS-UHFFFAOYSA-N 354.501 2.244 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 50275630 BGHAAMGPRSAHMS-FQEVSTJZSA-N 362.518 2.155 30 40 FEEB CN(CC(=O)Nc1cccc(F)c1)CC(=O)NC1(C#N)CCCCCC1 32906719 MKCKMLPRCRDCTD-UHFFFAOYSA-N 360.433 2.429 30 40 FEEB C[C@@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)NCC#N)c1 8184289 BWICVTLDQIFQJB-HNNXBMFYSA-N 371.462 2.240 30 40 FEEB N#Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 3281948 QTCVIIRHRBMQLF-UHFFFAOYSA-N 370.372 2.093 30 40 FEEB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(C#N)c1 2656070 YGKFHALDLJMIPP-GOSISDBHSA-N 369.446 2.273 30 40 FEEB C=CCN1/C(=N/C(=O)CC2CCCCC2)S[C@H]2CS(=O)(=O)C[C@@H]21 13626398 NGHSJBKEGDXWCM-QPRSIOOTSA-N 356.513 2.240 30 40 FEEB CN(C(=O)COC(=O)[C@@H]1COc2ccccc2O1)C1(C#N)CCCCC1 6947021 UOFBOICXQBZRBJ-INIZCTEOSA-N 358.394 2.054 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533670 KLDMCITWADYUPW-AMHYXFAZSA-N 355.394 2.154 30 40 FEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)[C@]2(C#N)C=O)cc1 218164292 XRCVMIFHAINYGN-OTWHNJEPSA-N 369.398 2.372 30 40 FEEB C[C@@H](Oc1ccccc1)C(=O)NCC#CCOc1ccc2c(c1)OCO2 90610507 PERWVYFOMBMRRE-OAHLLOKOSA-N 353.374 2.381 30 40 FEEB Cc1csc(C2=C(N)N(c3ccc(N4CCOCC4)cc3)CC2=O)n1 13690943 JYVJBXSPWODVMF-UHFFFAOYSA-N 356.451 2.005 30 40 FEEB C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1F 40146663 CDBIVCUGQIBFPG-UHFFFAOYSA-N 350.346 2.129 30 40 FEEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3COCCO3)c2)c1 32962789 CZLKRHFWFASYEQ-IBGZPJMESA-N 365.385 2.227 30 40 FEEB C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OCO2 3511728 VFDPQKWLUCJTNU-LBPRGKRZSA-N 352.346 2.149 30 40 FEEB C=CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 22689202 SSVYYTRYBANHPH-INIZCTEOSA-N 362.426 2.018 30 40 FEEB COC(=O)/C=C1\SC(N2CCOCC2)=C(c2ccc(OC)cc2)C1=O 13566863 YNMGLNLVQLJXNV-KAMYIIQDSA-N 361.419 2.069 30 40 FEEB C#CCOc1ccc(F)cc1NC(=O)NC1CCN(C[C@H](O)CC)CC1 95996554 XWAVOEXRXGESED-MRXNPFEDSA-N 363.433 2.195 30 40 FEEB O=C1CCc2cc(S(=O)(=O)/N=C(\O)COC3CCCC3)ccc2N1 48644166 NWFRKDZDWSKJLV-UHFFFAOYSA-N 352.412 2.176 30 40 FEEB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 225504703 BBVCSHLETLLWLG-MRXNPFEDSA-N 351.410 2.098 30 40 FEEB COCc1cc(C)n(CC(=O)Nc2cccc(C(C)=O)c2)c(=O)c1C#N 810883 QMLWUEWRKZZOGL-UHFFFAOYSA-N 353.378 2.016 30 40 FEEB O=c1[nH]cnc2[nH]c(N/N=C/C(Br)=C/c3ccccc3)nc12 6565679 MTGGTIZBQROXGS-IFBHZZHUSA-N 359.187 2.480 30 40 FEEB COc1cc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)ccc1O 2797979 PRKHBMSQVVLCIY-DJKKODMXSA-N 354.366 2.408 30 40 FEEB CCN(CC)c1ccc(/C=N/NC(=S)NC[C@H]2CCCO2)c(O)c1 6407495 ZTFQZOPBZUQPDR-SKCQWOFPSA-N 350.488 2.215 30 40 FEEB N#CCCN(CCC#N)C(=O)COC(=O)CSc1nc2ccccc2o1 15276780 XWBRXCPVWKFBMZ-UHFFFAOYSA-N 372.406 2.119 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 32506186 ODTFYBMCAAUOGU-BKJYESAMSA-N 352.481 2.478 30 40 FEEB CCOC1(NS(=O)(=O)c2ccc(OC)cc2)C(C)=CC(=O)C=C1C 16779567 GUQSAQQTWRPCGV-UHFFFAOYSA-N 351.424 2.182 30 40 FEEB CCO/C=N\S(=O)(=O)c1cc2c(cc1Cl)N=CN=[S@]2(=O)O 18044628 GRWXTIDWXUZBNC-NSIKDUERSA-N 351.793 2.067 30 40 FEEB Cc1csc(SCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1 31529486 UTYVXCDCCZTJAX-UHFFFAOYSA-N 363.468 2.061 30 40 FEEB CC(=O)c1cccc(O[C@H](C)/C(O)=N/S(=O)(=O)C2CCOCC2)c1 58184395 NWFVHDFZPSIWFN-GFCCVEGCSA-N 355.412 2.122 30 40 FEEB N#Cc1ccccc1Cn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 3772431 JCVXPEQABLUGFU-UHFFFAOYSA-N 370.368 2.311 30 40 FEEB COC(=O)c1c(F)ccc(S(=O)(=O)Oc2cccc(C#N)c2)c1F 72307516 BYVAFOODROIYNU-UHFFFAOYSA-N 353.302 2.391 30 40 FEEB N#Cc1ccccc1CSCCNC(=O)COc1ccc(C(N)=O)cc1 14182906 UWSQAZOZISBJLW-UHFFFAOYSA-N 369.446 2.086 30 40 FEEB COc1cc(/C=C/C(=O)OCC(=O)N2CCC(C)CC2)ccc1OCC#N 4524679 GJYVLPDIJUIQEC-GQCTYLIASA-N 372.421 2.412 30 40 FEEB C=C(C)C1(n2[nH]c(=O)n(C)c2=O)[C@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 45071212 SEVZBARAHBYXQQ-PBFLXZGTSA-N 369.318 2.378 30 40 FEEB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(C#N)cn2)cc1 583616031 DROIQMAFRSYBSA-ICSRJNTNSA-N 351.406 2.474 30 40 FEEB C=CCOc1ccc(Br)cc1/C=c1\sc2ncnn2c1=O 256055329 BWBFIOJTNWLMAG-GHXNOFRVSA-N 364.224 2.026 30 40 FEEB CCOC(=O)C(=NNC1=C(C)[C@H](C)[C@@H](c2ccccc2)C1=O)C(=O)OCC 1554503575 NZWQMTSDGMDDKG-WFASDCNBSA-N 372.421 2.335 30 40 FEEB C=CCNS(=O)(=O)c1cc(C(=O)OCc2ccccn2)ccc1F 40072555 VKFUVXUQBQLZIV-UHFFFAOYSA-N 350.371 2.042 30 40 FEEB CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2ccccc2)c1 33045634 QSDIWFIGBQDWSU-SFQUDFHCSA-N 362.480 2.257 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccccn1 102722995 MMZSLPUKQNUMEB-UYTDBDHRSA-N 355.394 2.048 30 40 FEEB C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3nnn[nH]3)c(C)c12 9135171 CKFAVXXOPAPWMC-UHFFFAOYSA-N 369.381 2.059 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCCN3c2ccc(CC)cc2)n(C)c1=O 4249163 NKSYTTLUQNBLAP-UHFFFAOYSA-N 365.437 2.187 30 40 FEEB C=CCn1c(=O)/c(=C\c2ccc(F)cc2)s/c1=C(\C#N)C(=O)C(C)(C)C 96021508 CDHHGLAWXDWPKI-JPKKTZJGSA-N 370.449 2.353 30 40 FEEB CC(=O)O/N=C(\N)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1 4707642 UBTOVFLHKLESKZ-UHFFFAOYSA-N 363.381 2.107 30 40 FEEB C=CCOc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 223671520 BUJGSXYLZMHNBO-UHFFFAOYSA-N 367.448 2.456 30 40 FEEB N#Cc1cccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1F 513230463 CLOBJHHYUCOWES-IBGZPJMESA-N 351.337 2.427 30 40 FEEB N=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N[N+](=O)[O-] 16385818 DXQDJGYAIATYHL-UUASQNMZSA-N 352.694 2.148 30 40 FEEB N#C[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)NC12CCCCC2 2348075 VVESPOLSCWHYJI-GOSISDBHSA-N 365.481 2.133 30 40 FEEB N#Cc1ccnc(N2CCN(C(=O)Cc3cnn(-c4ccccc4)c3)CC2)c1 30943952 BFLNORUIPRULNU-UHFFFAOYSA-N 372.432 2.030 30 40 FEEB O=S(=O)(c1ccc(N/N=C/c2cccc(O)c2)nc1)N1CCCCC1 7780119 BORBARBBHBQZBX-XDHOZWIPSA-N 360.439 2.408 30 40 FEEB C=C1C(=O)O[C@@H]2[C@@H]3O[C@]3(C)CCC=C(C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 958317932 CQZUJMJORLOTCJ-XSZOYSFCSA-N 362.422 2.222 30 40 FEEB CCN(C[C@@H]1CCOC1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 58291016 GBTUUNDFFXQHBE-HNNXBMFYSA-N 355.442 2.035 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H](NC(C)=O)C2CCCC2)cc1 48584412 DPAACEWQLTVLQF-HNNXBMFYSA-N 354.428 2.035 30 40 FEEB C=CCNc1nc(C(=O)OCC(=O)NCc2ccccc2OC)cs1 3508508 FSJOUSZITFYOHA-UHFFFAOYSA-N 361.423 2.223 30 40 FEEB COC(CN/C(=N/C(=O)Nc1ccccc1)Nc1nc(C)cc(C)n1)OC 4568447 FFAARHNUABVLPA-UHFFFAOYSA-N 372.429 2.302 30 40 FEEB Cc1nc2ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc2nc1C 6650846 DAGGKPTWVBKPJB-IBGZPJMESA-N 354.410 2.458 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3OC)C2=O)c1 408528623 BQGPUSSHQBKMGR-CQSZACIVSA-N 367.361 2.305 30 40 FEEB C[C@@](O)(CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 70639780 HIBKRTGIXPSMMJ-GOSISDBHSA-N 357.797 2.174 30 40 FEEB COc1cnc(N=C(O)N2CCC(C)(CN3CCN(C)CC3)CC2)s1 329239369 LYTAIDADZITKOR-UHFFFAOYSA-N 367.519 2.047 30 40 FEEB N#Cc1cccc(CN2Cc3nc[nH]c3C[C@H]2C(=O)NCc2ccco2)c1 15676298 LSJMSGKANQWVBL-IBGZPJMESA-N 361.405 2.118 30 40 FEEB biogenic,in-vitro CCCCCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 103754066 BFXPLKIXQOOTSX-UHFFFAOYSA-N 350.459 2.449 30 40 FEEB C/C(=N\Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N(C)C)c1 43947451 MTSZQLZJZXMFJC-LDADJPATSA-N 361.423 2.471 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 101299331 XXBHLGZVICJEFR-UWLOGMJLSA-N 358.872 2.351 30 40 FEEB COc1ccc(/C(N)=N/OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4888961 AKSWETOLAGDVBS-UHFFFAOYSA-N 360.366 2.198 30 40 FEEB CN(Cc1cc(C#N)ccc1F)C(=O)CN1CC[C@@H](Oc2ccccn2)C1 83862028 RBYNHFKUJAHNFK-QGZVFWFLSA-N 368.412 2.204 30 40 FEEB Cc1ccccc1/N=C1\N=C(S)N(CC(N)=O)[C@@]12CCOC(C)(C)C2 17180965 NKJBPAXCORNKDS-GOSISDBHSA-N 360.483 2.440 30 40 FEEB COc1ccc(-c2nc(SCC(=O)NCC(C)C)[nH]c(=O)c2C#N)cc1 30587786 KXIBBVVHLXGIBD-UHFFFAOYSA-N 372.450 2.181 30 40 FEEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1)OC 5445583 HLQVUXRMMZPBQO-QGZVFWFLSA-N 368.389 2.279 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl 101316575 NCRDPORGBNIPPH-OJVXUPTESA-N 372.899 2.347 30 40 FEEB C=CCn1c(SCC(=O)NCc2cccs2)nc2ncccc2c1=O 31614897 KXGJRYGVUCPLEY-UHFFFAOYSA-N 372.475 2.448 30 40 FEEB C=C(C)C[C@@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100634792 PQWSQJPHBKAWTP-GFZGVUQPSA-N 353.418 2.431 30 40 FEEB N#Cc1ccccc1OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 3445304 OOJADWKAFBPBHA-UHFFFAOYSA-N 353.334 2.057 30 40 FEEB C=CCNC(=O)CN(CC)S(=O)(=O)c1ccc(OCC)c(Cl)c1 39986478 GLYQYGXQUAZUBO-UHFFFAOYSA-N 360.863 2.052 30 40 FEEB C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC=C2C(=O)CO 70664718 UAEUTSQWOUBCLN-ZPOLXVRWSA-N 360.425 2.455 30 40 FEEB CSc1nnc(C)n1N/C(S)=N/C(=O)COc1ccccc1C 33510681 OTCAYCQQDADSOT-UHFFFAOYSA-N 351.457 2.052 30 40 FEEB CN(C)S(=O)(=O)N(CC#N)Cc1ccc(Cl)cc1Br 330481046 QQVBPELWMQUTSF-UHFFFAOYSA-N 366.668 2.234 30 40 FEEB CCOC(=O)c1sc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C#N)c1C 78995847 MOAOKZFFRVSBDJ-GHMZBOCLSA-N 365.455 2.153 30 40 FEEB N#CC1(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)CCCC1 12582739 DAMQUYGWDGPPAY-LLVKDONJSA-N 367.500 2.174 30 40 FEEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 101300695 UMXBNQAFWFFVOQ-BREGNPSQSA-N 356.444 2.083 30 40 FEEB C=CCn1cc(CNC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)nn1 333778335 TXQFQNRGKLSCFB-VCBZYWHSSA-N 359.474 2.343 30 40 FEEB CCOC(=O)N[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)C(C)C 47139227 CYWIYQXPYDQCJZ-GOSISDBHSA-N 372.469 2.368 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 101310000 RIMPXQJTQJWWAX-MSPKJWORSA-N 352.481 2.315 30 40 FEEB CC/N=C1/S[C@@H](CC(=O)NCCc2ccc(OC)cc2)C(=O)N1CC 102554422 UEWYGXMAFNLZEC-MJWGMMHASA-N 363.483 2.084 30 40 FEEB O=C(O)c1cccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1 409239123 BZQVYSQBUZCLOJ-FYJGNVAPSA-N 368.389 2.373 30 40 FEEB N/C(=N/OCCCNC(=O)C1CCCC1)c1ccc(N2CCCCC2)nc1 79075753 SBWBQIDAIKAUMX-UHFFFAOYSA-N 373.501 2.405 30 40 FEEB Cc1nc(N2C[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)nc(O)c1F 1888869766 LDFYZLAONWJPRZ-VXGBXAGGSA-N 374.807 2.122 30 40 FEEB C=CCN1C(=O)/C(=C\c2ccc(OC)c(CN3CCOCC3)c2)N=C1S 35167502 MDORMCMTHDNXAA-FOWTUZBSSA-N 373.478 2.182 30 40 FEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 1015882 BYYUKQOHYHJBBZ-ANRSDYALSA-N 359.279 2.133 30 40 FEEB CC(C)/C(O)=N/c1ccc2c([C@H](C(=O)O)N3CCN(C=O)CC3)c[nH]c2c1 36353276 CWXRWNOQGMTIGN-QGZVFWFLSA-N 372.425 2.312 30 40 FEEB Cc1cc(C)n(CC(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(=O)c1C#N 409412412 WIOJRHAQDKWONP-UHFFFAOYSA-N 359.769 2.327 30 40 FEEB COC(=O)[C@@](C)(c1ccccn1)N(C)C(=O)[C@H](C)Oc1ccccc1C#N 95462374 HXDSCIAIIGXVFX-VBKZILBWSA-N 367.405 2.267 30 40 FEEB N#Cc1ccccc1C[n+]1cccc(C(=O)NN2Cc3ccccc3C2=N)c1 27232476 PVCBMTONICAXFM-UHFFFAOYSA-O 368.420 2.380 30 40 FEEB Cc1ccc2cc(C#N)c(NCCNC(=S)NC[C@H]3CCCO3)nc2c1 35312820 GLJWTJVLJFCXFE-MRXNPFEDSA-N 369.494 2.470 30 40 FEEB N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC(=O)NC2CCCC2)n1 611599289 RSDCXOUUKYLATR-UHFFFAOYSA-N 370.388 2.063 30 40 FEEB Cc1nc(Nc2nc(C(=O)O)cs2)cc(C2CCN(CC#N)CC2)n1 585291975 HOWHVWVNDGGYFH-UHFFFAOYSA-N 358.427 2.386 30 40 FEEB CN(C)c1cc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)ncn1 1889191894 SAJGVZLAOUYPNT-UHFFFAOYSA-N 359.437 2.289 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@H](c3cccc(Cl)c3Cl)[C@@]12C#N 103021052 PAVLOZGXEKMXSF-FPMFFAJLSA-N 351.193 2.428 30 40 FEEB Cc1ccc(/C=C/C(O)=N/S(=O)(=O)c2cccc(S(C)(=O)=O)c2)o1 54487225 TYCKXCPZAIZFEB-CMDGGOBGSA-N 369.420 2.350 30 40 FEEB COc1cc(/C=N/Nc2cn[nH]c(=O)n2)ccc1OCCc1ccccc1 3947301 FNNLDWAUNOFGPY-UDWIEESQSA-N 365.393 2.241 30 40 FEEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc2c(c1)OCCO2 14143639 JVSMCJUQRJFNKG-UHFFFAOYSA-N 363.377 2.211 30 40 FEEB COc1cc(/C=N\NC(N)=S)ccc1OCC(=O)Nc1ccc(C)cc1 33333195 HJPALVQNWFRKHH-JMIUGGIZSA-N 372.450 2.188 30 40 FEEB Cc1nc2ccc(C(=O)OCC(=O)NC3(C#N)CCCC3)cc2nc1C 6848526 QUJGLACVNGWVEH-UHFFFAOYSA-N 352.394 2.356 30 40 FEEB COC1(CC(=O)N2C[C@H]3OC[C@@H](COc4ccc(C#N)cc4)[C@H]3C2)CCC1 1565546086 SPPPIJWZCRWHCY-BHIYHBOVSA-N 370.449 2.370 30 40 FEEB C=CC/N=C(\O)[C@H](C)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40063281 VFMZVMAXOICUIR-ZDUSSCGKSA-N 355.398 2.459 30 40 FEEB C=CCN1/C(=N\C(=O)CCC2CCCC2)S[C@H]2CS(=O)(=O)C[C@H]21 101224942 OCDMVFYOOZBOBV-OVZRNVPMSA-N 356.513 2.240 30 40 FEEB O=C(NCCc1ccccn1)C(F)(F)OC(F)(F)OC(F)(F)F 4455795 RQCMAYHWFMUUPM-UHFFFAOYSA-N 350.190 2.436 30 40 FEEB COC(=O)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 95452555 GSJHDJKGOJWBDY-AWEZNQCLSA-N 358.419 2.311 30 40 FEEB C=CCc1cc(CNC(=O)N2CC[C@H](O)C(F)(F)C2)cc(OC)c1OC 663877158 SPTHWNYIOOYNOG-HNNXBMFYSA-N 370.396 2.344 30 40 FEEB C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CC)cc1 575420752 KGDNMPKDFPWLMX-MRXNPFEDSA-N 357.497 2.003 30 40 FEEB C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC(=O)NC1CC1 95953630 KZGFBOFMNTUQEL-CYBMUJFWSA-N 360.483 2.230 30 40 FEEB COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1S(=O)(=O)NC(C)C 11327166 CDAQECLRJKTAHI-UHFFFAOYSA-N 374.418 2.473 30 40 FEEB COc1ccc(C(=O)[C@H]2C(C#N)(C#N)[C@]23CC[C@H]2CO[C@H]3O2)cc1OC 100249603 DGCMRHAWYXCCBH-SJIKZXFPSA-N 354.362 2.072 30 40 FEEB biogenic C/C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100750213 WXEVZMZTHQDYCI-KVQXGNOLSA-N 360.410 2.098 30 40 FEEB biogenic COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cccc(C#N)c1 25186823 WWOSQMMVDHQZCP-UHFFFAOYSA-N 365.389 2.434 30 40 FEEB CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 108064075 KCGGOJPFAITKPS-SDNTUTLCSA-N 353.422 2.472 30 40 FEEB CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCN(CCO)CC2)n1 19820721 YVNGWADGOYZLII-UHFFFAOYSA-N 369.494 2.160 30 40 FEEB C=CCOc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cccc1[N+](=O)[O-] 409405861 IKIREIGJNKRXQB-GVAFMPQTSA-N 367.361 2.301 30 40 FEEB CN1CN(C(=N/C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)CN(C)C1=O 35051942 XJYFNWQRTHOSSA-UHFFFAOYSA-N 371.438 2.221 30 40 FEEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccccc1C(=O)O 13574759 JWRBFFSZTUUWBN-CYVLTUHYSA-N 367.321 2.484 30 40 FEEB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)C2(C#N)CCCC2)cn1 1614936148 VLLVNALSXCZNBA-ZWKOTPCHSA-N 356.470 2.443 30 40 FEEB CC(=O)Nc1cccc(/C(O)=N/S(=O)(=O)Cc2ccc(C#N)cc2)c1 48507889 LIDSREYDBVBXPA-UHFFFAOYSA-N 357.391 2.351 30 40 FEEB CCOc1cc(C#N)ccc1OCC(=O)NCCc1ccc2c(c1)OCO2 24074494 KSUXCXXZYLVZRW-UHFFFAOYSA-N 368.389 2.423 30 40 FEEB Cc1ccc(C)c(NC(=O)C[C@H]2S/C(=N\C[C@H]3CCCO3)NC2=O)c1 7882658 LMKYUMVUBRWWJC-UKRRQHHQSA-N 361.467 2.399 30 40 FEEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 843921 ALMSAKVLWYRAAH-AWEZNQCLSA-N 358.350 2.449 30 40 FEEB CN(C)CCOc1ccc2c(c1)CC/C(=C/c1ncc([N+](=O)[O-])n1C)C2=O 1562812 OMXBYAZWEHKRHC-KAMYIIQDSA-N 370.409 2.481 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CN(c4ccc(C(F)(F)F)nn4)C[C@H]3C2)nc1 1889084213 GTGIJIUSBHYLAD-CHWSQXEVSA-N 360.343 2.335 30 40 FEEB CC(C)c1nnc(/N=C(\O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)s1 30647260 IBFAHUBBLYFJKJ-LBPRGKRZSA-N 358.427 2.370 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1 102483664 DLDRXMAXSSPWMD-IDTYTIONSA-N 372.333 2.256 30 40 FEEB CN1C(=O)c2ccc(C(=O)OCCOc3ccc(C#N)cc3)cc2C1=O 32946371 QTNMHQUROCLATN-UHFFFAOYSA-N 350.330 2.020 30 40 FEEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)C1CC1 5246961 BTWVNBYAMZDJAU-TWWIOWFMSA-N 370.883 2.351 30 40 FEEB C/N=C1/S[C@H](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C(=O)N1C 16937958 ATXUJCABSGXPPA-BPLQLKKBSA-N 361.345 2.473 30 40 FEEB Cc1cccn2c(=O)c(/C=N/C[C@H]3CCCO3)c(NC[C@H]3CCCO3)nc12 96517719 IKAITTIJOLZLNG-KRVQGDJZSA-N 370.453 2.192 30 40 FEEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(O)cc3)C(=O)NC2=S)cc1 408765584 WKZZCNCDFGEKKY-HNIBHBHRSA-N 353.403 2.467 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 64120432 CFCUVQQJLWWLBR-ZIAGYGMSSA-N 358.486 2.033 30 40 FEEB Cc1ccc2ncc(C#N)c(N3CCC[C@@](O)(CC(=O)N(C)C)C3)c2c1 591619405 ZSNMKTYULNDBDD-HXUWFJFHSA-N 352.438 2.225 30 40 FEEB CN(C(=O)CCc1cccc(Cl)c1)C1CN(c2nccnc2C#N)C1 1776007863 IFOWAAMHEQWYAO-UHFFFAOYSA-N 355.829 2.281 30 40 FEEB CCCOc1c(Br)cc(C=Nn2nnnc2N)cc1OCC 19594149 PDXREIRENSWPFC-UHFFFAOYSA-N 369.223 2.088 30 40 FEEB C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3CC2=O 100763736 CBOSLVQFGANWTL-STOILFMWSA-N 357.494 2.000 30 40 FEEB in-vitro COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)c1 40267709 XFMBGJGRWHQGIN-QGZVFWFLSA-N 368.393 2.021 30 40 FEEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(N(C)C)nc1 32824728 XFKKJVRGXFLXOW-UHFFFAOYSA-N 363.425 2.250 30 40 FEEB COC(=O)CN(CC(=O)NC1(C#N)CCCC1)Cc1ccc(Cl)cc1 52864194 HPPXITBBKULRNM-UHFFFAOYSA-N 363.845 2.268 30 40 FEEB Cc1nn(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(=O)c(C#N)c1C 57089507 IWJYCRMUEDZACQ-KRWDZBQOSA-N 358.829 2.416 30 40 FEEB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 96000131 YQCKVAOLPNGHOM-INIZCTEOSA-N 370.428 2.365 30 40 FEEB CC1=C(C)/C(=N/S(=O)(=O)c2ccc(C)cc2)C=C(N2CCOCC2)C1=O 17888055 WWPUMLSCSNCDQA-LVZFUZTISA-N 374.462 2.260 30 40 FEEB N#Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)cc1 8749596 SUJRVODXIGUSAF-UHFFFAOYSA-N 365.418 2.222 30 40 FEEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccncc1)c1ccc(Cl)cc1 8914376 DPBVCIIVHJKKMS-OAHLLOKOSA-N 358.781 2.306 30 40 FEEB C[C@@H](O)c1cn(C2CN(c3cc(C#N)c4cc(Cl)ccc4n3)C2)nn1 95999415 HTNSIULFDPQTNF-SNVBAGLBSA-N 354.801 2.466 30 40 FEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 409180387 RDBCYSCLXKOUGI-PISIDXIOSA-N 352.390 2.091 30 40 FEEB N#CCCN(CCC#N)C(=O)CN(Cc1cccc(F)c1)C[C@H]1CCCO1 50963347 FSILPSVSKQLJGE-LJQANCHMSA-N 372.444 2.463 30 40 FEEB N#C[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)NC12CCCC2 10382063 GXNGBLMVUXPAQL-INIZCTEOSA-N 371.872 2.400 30 40 FEEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(N)=O)CC1 12791444 VYEWWHDSOYMZJR-GFCCVEGCSA-N 374.510 2.413 30 40 FEEB CCN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@@H]5[C@H]23)CC1 100777364 OURZJOAJOVHDAD-PZVKIFLGSA-N 362.514 2.149 30 40 FEEB C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)Nc1ccccc1C#N 3409769 VKGCGVGUGLWRFV-LBPRGKRZSA-N 372.402 2.146 30 40 FEEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32634436 CEVWDVNFMIIIFP-LTUGMUNRSA-N 356.444 2.083 30 40 FEEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nccn2CC(C)C)cc1 58083962 KAVAETGIDUJNMY-UHFFFAOYSA-N 362.455 2.256 30 40 FEEB C/N=C1/S[C@H](CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1C 13118157 DQYXQWGEYYPASN-HOBGCTPMSA-N 369.468 2.040 30 40 FEEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3c3ncc(Br)cn3)C2)nc1 1889089531 ZUMRWTUUSTXSEE-TZMCWYRMSA-N 371.242 2.221 30 40 FEEB N#Cc1ccccc1NC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] 3390475 AMRVGDUCZVJXRN-UHFFFAOYSA-N 355.306 2.027 30 40 FEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 1015879 BYYUKQOHYHJBBZ-AYVTZFPOSA-N 359.279 2.133 30 40 FEEB CCc1nnc2n1N(C(C)=O)C(c1cccc(OC)c1)=C(C(C)=O)S2 4518349 WOEGLXMORVBJMA-UHFFFAOYSA-N 358.423 2.397 30 40 FEEB CC/N=C1/S[C@H](CC(=O)NCCc2ccc(OC)cc2)C(=O)N1CC 102554429 UEWYGXMAFNLZEC-AMGRQBIBSA-N 363.483 2.084 30 40 FEEB C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 12647469 VQXODZBJNBGKFO-UHFFFAOYSA-N 356.451 2.334 30 40 FEEB C=CCNC(=O)[C@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 27543591 WUDYMNPSLKBGSK-ZDUSSCGKSA-N 356.392 2.303 30 40 FEEB CC(=O)OC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 2403550 DYGMXQLCCKIDFD-UHFFFAOYSA-N 357.387 2.435 30 40 FEEB CCOC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5009255 GYYGDEAWMDVRKO-UHFFFAOYSA-N 362.389 2.456 30 40 FEEB N#Cc1ccc(/C=N/c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 4964062 UUHQGMUXCHSOHU-XSFVSMFZSA-N 355.419 2.330 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CC/C(O)=N/S(=O)(=O)C1CCCCC1 58071499 ZNIGJNKBWHTCFK-UHFFFAOYSA-N 365.455 2.415 30 40 FEEB COc1ccc(CC(=O)/N=C(\N)Nc2nc3ccccc3o2)cc1OC 5894188 HFBQDNKXIDJIBH-UHFFFAOYSA-N 354.366 2.341 30 40 FEEB O=C1C(=O)N(CCO)[C@@H](c2cccnc2)/C1=C(\O)c1ccc(Cl)cc1 102806354 YAPXKHHEXYNNEM-IDTYTIONSA-N 358.781 2.149 30 40 FEEB C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C(/N)c1ccc(N2CCCCC2)nc1 58355283 VTSPOOVJSAWYFK-WBVHZDCISA-N 373.501 2.404 30 40 FEEB COc1cc(C(=O)OCN2C(=O)c3ccccc3C2=O)ccc1OCC#N 3357389 BMFRKPHPMCEYSD-UHFFFAOYSA-N 366.329 2.008 30 40 FEEB CCCCCCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 48520863 AOYNZVLZULGWHN-ZDUSSCGKSA-N 360.462 2.161 30 40 FEEB CC(=O)NC(=C\c1ccccc1)/C(O)=N/S(=O)(=O)c1cccc(C#N)c1 48600138 CRLVEVDNIFBQOK-BOPFTXTBSA-N 369.402 2.381 30 40 FEEB C=CCNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22230947 FRFFNCRWIDIQLX-UHFFFAOYSA-N 374.462 2.334 30 40 FEEB N#CC1(C(=O)N2C[C@H]3O[C@H](C[C@H]3C(=O)Nc3ccccc3)C2)CCCC1 2055734518 GEIUZAYXNNSHKL-BRWVUGGUSA-N 353.422 2.325 30 40 FEEB N#Cc1ccccc1N1CCCN(CC(=O)NC(C2CC2)C2CC2)CC1 52801338 CBGWUVKRNHVJOU-UHFFFAOYSA-N 352.482 2.375 30 40 FEEB CCOc1cc(C(=O)N2CCOC[C@@H]2C#N)ccc1OCc1cccnc1 76042336 LQAXSBYGTLTLAE-KRWDZBQOSA-N 367.405 2.424 30 40 FEEB CC(C)(C)c1nn2c(S)nnc2n(/N=C/c2c[nH]c3ccccc23)c1=O 27526137 PBCIZJWBUALYLW-DJKKODMXSA-N 367.438 2.236 30 40 FEEB C#CCOc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(c1nccn1C)C2 19291465 MNIKKYGCHWNPIX-HTZLVSCSSA-N 351.450 2.447 30 40 FEEB C=CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2C)n(C)c1=O 4249513 LFPGSLILLWXDAD-ZDUSSCGKSA-N 365.437 2.179 30 40 FEEB Cc1cc(C)c(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c(=O)[nH]1 10459061 QLORQNMVSHRICF-UHFFFAOYSA-N 350.378 2.486 30 40 FEEB CN(Cc1cccc(C#N)c1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 103065025 ZIMLMOLKEMBEKM-IRXDYDNUSA-N 353.422 2.082 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 100237274 JTXWSZAFELZYOI-HQFMPHHZSA-N 370.792 2.456 30 40 FEEB N#CCCN(CCC#N)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 12765987 DZKBGZCASHFTCQ-UHFFFAOYSA-N 371.466 2.066 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(OC)c1 100199486 HCKZNPLHWXTKAE-DSKDXXQZSA-N 352.390 2.091 30 40 FEEB CCCCC(=O)N/C(C)=C1/C(=O)c2ccccc2S(=O)(=O)N1CC 9184480 BSUYUPRDVOCWLB-VBKFSLOCSA-N 350.440 2.431 30 40 FEEB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NO 15042910 PNAQKDRLTIQGSA-NSHDSACASA-N 359.220 2.390 30 40 FEEB N#Cc1nccnc1N1CCN(c2cc(C(F)F)nc(C3CC3)n2)CC1 1888859903 MLAHYWMQQNCWGA-UHFFFAOYSA-N 357.368 2.280 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(C)c(C)n23)n(C)c1=O 4250765 SCLLLMACBICVDW-UHFFFAOYSA-N 363.421 2.250 30 40 FEEB Cc1cc(C)n(/N=C/c2cc(Br)cs2)c(=O)c1C(N)=O 2802053 WWTWJKWSGQAQLU-FZSIALSZSA-N 354.229 2.270 30 40 FEEB C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 56139937 FVJHEEUFYHBKJD-ZDUSSCGKSA-N 363.888 2.012 30 40 FEEB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)cn1 62062185 VUJARAXHYKYZQE-UHFFFAOYSA-N 351.410 2.054 30 40 FEEB CCNc1nc(NCC)nc(N/N=C2/C(=O)N(C(C)C)c3ccccc32)n1 102420054 RKMNUNSBIKVDBK-ZVHZXABRSA-N 368.445 2.306 30 40 FEEB O=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccc2c(c1)OCCO2 7785895 XMHMXTQMQDTMLE-SSDVNMTOSA-N 373.372 2.236 30 40 FEEB C=CCc1ccc(OCC(=O)Nc2cccc(-n3cnnn3)c2)c(OC)c1 8777308 LYWWHXVNEYGVOX-UHFFFAOYSA-N 365.393 2.417 30 40 FEEB CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C(=O)NC1=S 409391257 INQZHXRTELMZIF-NTEUORMPSA-N 351.387 2.465 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245229321 UJADGYYPDMOHQB-REUBOISMSA-N 370.540 2.318 30 40 FEEB O=c1[nH]c(O)c(/C=N/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(F)cc1 101583557 WGICJOBWGLNTJZ-DJKKODMXSA-N 370.296 2.029 30 40 FEEB Cn1/c(=N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)sc2ccccc21 6828383 USKPZTRSIWZLMW-MNDPQUGUSA-N 353.363 2.405 30 40 FEEB C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)CS2 107364379 HRDOTFVEJSQNFJ-IPELMVKDSA-N 357.479 2.472 30 40 FEEB C=CCOc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1 56792809 GHXULNFCYKBUGD-UHFFFAOYSA-N 366.465 2.328 30 40 FEEB C=CCN(CC=C)C(=O)COC(=O)[C@@H](C)NC(=O)c1ccccc1Cl 57509992 NNJPKLYBPHZRIJ-CYBMUJFWSA-N 364.829 2.202 30 40 FEEB CC1=CC(=O)/C(=C2/C[C@H](c3cn(C)nc3C)N(c3ccccc3)N2)C(=O)O1 102449300 VVYPWSDIRKOHSW-FDCFBWIESA-N 364.405 2.468 30 40 FEEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1/N=C/c1cc(Cl)ccc1O 13730242 RGCVKTRXYPMGAN-ODCIPOBUSA-N 367.796 2.468 30 40 FEEB CNC(=O)N(O)[C@@H]1N(/N=C/c2ccccc2O)C(=S)SC1(C)C 4795079 DYTIFCLMZKNCDC-AXLKIAQESA-N 354.457 2.195 30 40 FEEB CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCN2CCC[C@@H]2C1 19367093 PKFJLOBBSGMIMS-MSOLQXFVSA-N 365.485 2.169 30 40 FEEB COC(=O)c1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1 3624107 RTDHNFLMGKHWBE-VCHYOVAHSA-N 360.439 2.327 30 40 FEEB Cc1ccc(-n2nnnc2SCC(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 3367818 KDNGFHGUZUATOB-KRWDZBQOSA-N 358.471 2.426 30 40 FEEB CCCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 40132962 XEPXDCIQLUANRY-YOEHRIQHSA-N 363.483 2.187 30 40 FEEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)cc1 50204531 KPGLXVCCJWKUCU-UHFFFAOYSA-N 360.391 2.369 30 40 FEEB C=CCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 4152212 LOHPCQZXXSTHFI-UHFFFAOYSA-N 358.463 2.222 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(C)cc1 32503170 RDYSDJRWVOHEPS-NHYXNVPJSA-N 366.508 2.392 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@H]2c2ccc(F)cc2)cc1 102861271 FWSOAEWQYIBRJB-HVESIFNPSA-N 371.364 2.248 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2C#N)C1=O 408536951 UCTPHPIYNWBIFL-ZDUSSCGKSA-N 362.345 2.168 30 40 FEEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)COCC)C2 585107468 WXGLHPFDYKSEBZ-HXUWFJFHSA-N 352.438 2.342 30 40 FEEB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC#N 3529058 BNOIOIKAWIOPQB-UHFFFAOYSA-N 350.330 2.172 30 40 FEEB CNC(=O)[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NC1(C#N)CCCC1 36390428 VRCQYZRGQLLSFT-INIZCTEOSA-N 362.861 2.011 30 40 FEEB CS[C@@H]1C(C(=O)C(C)(C)C)=C(CC(=O)O)C(=O)N1C[C@H]1CCCO1 62716413 OGWFFXWLMQTAQZ-QLJPJBMISA-N 355.456 2.083 30 40 FEEB O=[N+]([O-])c1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1N1CCOCC1 409104959 LOZIUBGLTKGHIY-WOJGMQOQSA-N 372.341 2.181 30 40 FEEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CC(=O)O)cc1 6908325 VFGFHYGTCSMMSO-HVESIFNPSA-N 367.357 2.202 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 17028983 QXWGRJKLRCVYDW-BREGNPSQSA-N 372.899 2.347 30 40 FEEB Cn1c(SCC(=O)N(CCC#N)Cc2ccco2)nnc1C(F)(F)F 8505641 DGXVQMYCAIRCMR-UHFFFAOYSA-N 373.360 2.461 30 40 FEEB CS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)cc1 226062483 RRICCJYGPHEJLQ-UHFFFAOYSA-N 361.398 2.098 30 40 FEEB CN(C)C(=O)CN1CCC[C@]12CCCN(C(=O)c1ccccc1C#N)CC2 585100592 OWNBXYKAPUCBDG-NRFANRHFSA-N 368.481 2.107 30 40 FEEB CCN(CC(=O)Nc1ccccc1OC)C(=O)COc1ccc(C#N)cc1 18094121 KUTWXURRYZJAMG-UHFFFAOYSA-N 367.405 2.433 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1 102929135 NGSKKYDYXYUZOQ-DPEHCCBOSA-N 372.333 2.256 30 40 FEEB CN(C)/C=C(\C(=O)c1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1 6637478 UCTBUNDWHBWGMC-FOWTUZBSSA-N 364.365 2.356 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 20445381 PQRXBMJGPZVPGK-YXEAAEFPSA-N 352.481 2.334 30 40 FEEB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)NC1(C#N)CCCCC1 11461043 YJNNSRPXKCTRHL-CYBMUJFWSA-N 367.405 2.416 30 40 FEEB Cc1nn(C[C@@H](O)CO[C@H]2CCCc3ccccc32)c(=O)c(C#N)c1C 45821605 BIBNKVJRNIQUON-APWZRJJASA-N 353.422 2.187 30 40 FEEB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C#N)cc2)cc1 3501858 XXVSODNHFPFIET-UHFFFAOYSA-N 366.406 2.273 30 40 FEEB C=CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccncc1 6879067 FQOOAWGPHKNTJO-UHFFFAOYSA-N 374.470 2.243 30 40 FEEB C=CCOc1c(Cl)cc(CNCCSc2nnnn2C)cc1OC 16363649 SFDBLAUORMGMKT-UHFFFAOYSA-N 369.878 2.319 30 40 FEEB CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc(C#N)c2)CC1 49997347 YLVLVKSOWOUANC-UHFFFAOYSA-N 365.455 2.236 30 40 FEEB CN1C(=O)[C@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 783767 HOALSGLTTQFRPG-IEJURRBGSA-N 351.358 2.252 30 40 FEEB N#CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2ccccc2c1=O 22834822 IVHOCEFCYFWPFL-UHFFFAOYSA-N 373.460 2.238 30 40 FEEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccncc3)c2C)C(=O)NC1=S 9311827 XQPCBRHKOCZGNW-LFIBNONCSA-N 366.446 2.302 30 40 FEEB CCS(=O)(=O)c1ccc(/C(O)=N/S(=O)(=O)C2CCCCC2)cc1 58080557 XDDOHHRASTVXOI-UHFFFAOYSA-N 359.469 2.447 30 40 FEEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N(Cc1cccs1)C1CC1 70003808 INSMGQUXEIOSPT-UHFFFAOYSA-N 367.434 2.410 30 40 FEEB Cc1c(C#N)c(NC(=O)CSc2nnnn2C)n(C2CCCC2)c1C 8708646 UVCVZFRWUDFTGK-UHFFFAOYSA-N 359.459 2.346 30 40 FEEB C[C@H](c1cccc(C#N)c1)N1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 284479655 GMWKZCJQPXYXSI-QAPCUYQASA-N 359.470 2.203 30 40 FEEB Cc1nc(Nc2nc(C(=O)O)cs2)cc([C@H]2CCCN(CC#N)C2)n1 585290541 XWSFUYWONRIPQA-NSHDSACASA-N 358.427 2.386 30 40 FEEB N#CC1(C(=O)N2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)CCCC1 585108686 YPVYBNWAMBNCOJ-SQNIBIBYSA-N 355.438 2.441 30 40 FEEB CCOC(=O)[C@H]1O[C@]12c1cccc3cccc(c13)[C@]21O[C@H]1C(=O)OCC 5085988 CGMQEBARDLMDNR-WOUAJJJCSA-N 354.358 2.168 30 40 FEEB C=CCn1c(S[C@H](C)C(=O)NC(=O)NC(C)(C)C)nnc1C1CC1 16726398 VQYSFRSNEHNHEQ-SNVBAGLBSA-N 351.476 2.446 30 40 FEEB O=C(O)COc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1 102044879 PXKQQCIOVIWVST-AWEZNQCLSA-N 355.350 2.143 30 40 FEEB COC(=O)[C@@]1(CCC#N)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100190100 AETMTDBLOFOLKO-WRWLIDTKSA-N 356.422 2.464 30 40 FEEB Cc1ccccc1N1/C(=N\C(=O)C2CC2)S[C@@H]2CS(=O)(=O)C[C@H]21 101312053 DKSNNDLCPNKXGU-BKJYESAMSA-N 350.465 2.006 30 40 FEEB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 48332282 OGPYAYHVKFGFDO-UHFFFAOYSA-N 362.382 2.456 30 40 FEEB N#CC1(C(=O)N2CCCn3cnc(C(=O)NC4CCCC4)c3C2)CCCC1 1565553659 HDRIWWDCABJZCX-UHFFFAOYSA-N 369.469 2.372 30 40 FEEB C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C#N)cc1 40132941 MTQGBMKGKDVSGI-AWEZNQCLSA-N 367.430 2.222 30 40 FEEB C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NCCC 32777070 GFYWDDOKRGIRNV-UHFFFAOYSA-N 351.520 2.111 30 40 FEEB O=c1[nH]nc(O)c2cccc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c12 712983 YVGHLVUELXNRSR-UBKPWBPPSA-N 354.278 2.016 30 40 FEEB O=S1(=O)N=C(N(CCO)/N=C/C=C/c2ccccc2)c2ccccc21 4269845 JYVLEFNEUSXBMY-YKIVCEQRSA-N 355.419 2.129 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cc(Br)cc(OC)c2O)C1=O 4690242 ZBLQZNNPWACXAR-UXBLZVDNSA-N 353.172 2.242 30 40 FEEB C=CC[C@@]1(CO)C[C@@H](O)[C@H]2[C@H](CC=C3CC4(CC[C@@]32C)OCCO4)[C@H]1O 4831289 UATRNPBZSKTJEY-SFUSBHMVSA-N 364.482 2.163 30 40 FEEB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)C[C@@H](C)C#N)C(C)C)c1 45851792 VBVZELPTQFEBJQ-GUYCJALGSA-N 361.442 2.076 30 40 FEEB COC(=O)C1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 46741339 RCXOLZPLRUTOSS-UHFFFAOYSA-N 360.410 2.137 30 40 FEEB C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CC(=O)N(CCC#N)CCC#N 72311049 RLAZCMRQDASEKQ-MQNRADLISA-N 360.483 2.073 30 40 FEEB C=CCN1/C(=N\C(=O)CCC2CCCC2)S[C@@H]2CS(=O)(=O)C[C@H]21 101224946 OCDMVFYOOZBOBV-BKJYESAMSA-N 356.513 2.240 30 40 FEEB O=C(COc1ccc(/C=N\OCc2ccccc2)cc1)N1CCOCC1 409010826 LSZNSZXWPHDCKR-STZFKDTASA-N 354.406 2.475 30 40 FEEB N#CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409405200 NGIJSUFLPLBXOE-GVAFMPQTSA-N 355.781 2.383 30 40 FEEB N#Cc1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccc(Cl)cc2)c1=O 3105080 USFFZECITUAWLA-UHFFFAOYSA-N 356.744 2.107 30 40 FEEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](OCCN2CCCCC2)C1 79105452 VGTPLZNXXXUSLG-HKUYNNGSSA-N 370.497 2.462 30 40 FEEB Cc1cc(C)cc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 101309375 LAZWDEVEKZVHPI-WPIBOPBSSA-N 364.492 2.315 30 40 FEEB N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)C1CC1)CCCC2 46218489 AEWSLHOFQKNSGH-CQSZACIVSA-N 371.437 2.309 30 40 FEEB COC(=O)C(C)(C)C(C)(C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 72301983 SAXIOXXBEFDAPH-UHFFFAOYSA-N 358.847 2.468 30 40 FEEB N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 17360447 FWULDUNPQNKLMZ-UHFFFAOYSA-N 371.418 2.301 30 40 FEEB CCNC(=S)N/N=C/c1ccc(OC)c(I)c1 6349347 YIVOFJYRHBMMTI-VGOFMYFVSA-N 363.224 2.118 30 40 FEEB N#CC1(NC(=O)CNc2cccc(C(=O)NCC(F)(F)F)c2)CCCC1 40039173 LWFFZQBIYLUBSF-UHFFFAOYSA-N 368.359 2.343 30 40 FEEB C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 72310621 DZADLXCUVOWGHR-NEPJUHHUSA-N 360.845 2.237 30 40 FEEB COc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408537242 UTQUMKBGFHRERM-CYBMUJFWSA-N 355.325 2.436 30 40 FEEB C=CCc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1O 409404681 LRIWDKJIPLEZOT-MGBSGCIJSA-N 352.390 2.270 30 40 FEEB COc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)cc1 256048863 WSCSDPIMJLOEJP-UHFFFAOYSA-N 360.421 2.474 30 40 FEEB N#C[C@]1(F)CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)C1 615531603 QGSCIBJZKBOQDW-MRXNPFEDSA-N 358.764 2.204 30 40 FEEB N#Cc1ccc(Nc2cnc([C@H]3CCCCN3Cc3cn[nH]c3)cn2)cn1 585294890 VWXIFTIOOWHZCX-GOSISDBHSA-N 360.425 2.937 30 40 FEEB CCOC(=O)c1sc(N)c(C#N)c1CN1CCN(c2ccccn2)CC1 32652253 MGDCMXRBYUYGDN-UHFFFAOYSA-N 371.466 2.096 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1oc2ccccc2c1COCC 3380315 OVFQCNKAXWDKRX-UHFFFAOYSA-N 360.366 2.138 30 40 FEEB CCCNC(=O)CN(C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 6627265 CTJDDDWKCRUKHU-LBPRGKRZSA-N 362.499 2.141 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 226668928 JTXWSZAFELZYOI-IAPCMNKBSA-N 370.792 2.456 30 40 FEEB N#Cc1c(N2CCN(c3ncccn3)CC2)cc(-c2ccccc2)oc1=O 585145631 JBAVERMUBHEQAT-UHFFFAOYSA-N 359.389 2.295 30 40 FEEB C=CCN(Cc1ccccc1F)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 58324709 IIQJYOMXMGGMBB-UHFFFAOYSA-N 353.353 2.184 30 40 FEEB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)SC(N/N=C\c2ccco2)=N1 5769539 IOVLFZXNEIGECK-OCTXWABXSA-N 360.370 2.369 30 40 FEEB N#CCOc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 20628854 SYZZCDGLAAFVTA-UHFFFAOYSA-N 360.391 2.407 30 40 FEEB CCOC(=O)C[C@H](C#N)c1c([N+](=O)[O-])cc(OC)c(OC)c1[N+](=O)[O-] 3199839 WJOPLPQRZFVLKZ-MRVPVSSYSA-N 353.287 2.081 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl 100937420 NCRDPORGBNIPPH-LTUGMUNRSA-N 372.899 2.347 30 40 FEEB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 3462261 PTCRTFWZHXBYBR-FQEVSTJZSA-N 362.389 2.354 30 40 FEEB CCN(Cc1ccc2c(c1)OCO2)C(=O)NCCNc1ncccc1C#N 47115223 QGOQBFYFTJBVEQ-UHFFFAOYSA-N 367.409 2.326 30 40 FEEB Cc1ccc(C(=O)Nc2cccc(/C=N/Nc3nc(=O)c(C)n[nH]3)c2)cc1 6908785 LBGIHZZZAQUPNF-RGVLZGJSSA-N 362.393 2.480 30 40 FEEB Cc1c(C#N)c(NC(=O)Cn2cnc(C#N)n2)n(Cc2ccccc2)c1C 14144354 XHJOBQDMWMIYSI-UHFFFAOYSA-N 359.393 2.127 30 40 FEEB CC(C)(C)c1nc2c(c(N3CCN(c4nccc(C#N)n4)CC3)n1)CCC2 1888860117 GLAAXDUUZCQXKO-UHFFFAOYSA-N 363.469 2.251 30 40 FEEB N#Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3247305 MBLDNFLNJUVKST-SOFGYWHQSA-N 350.330 2.482 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309749 NRAWHIODSJYFAC-SILZUYPQSA-N 370.540 2.318 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(OC)c1 100199494 HCKZNPLHWXTKAE-ZFGXBXFNSA-N 352.390 2.091 30 40 FEEB COc1cc(OC)c(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)c(OC)c1 5625904 SNMNDLSPCKDAEB-CAOOACKPSA-N 374.426 2.173 30 40 FEEB CCOc1ccc(-c2cn(C3CN(C(=O)C4(C#N)CCC4)C3)nn2)cc1 95998049 JJOJOZQYGDLNTO-UHFFFAOYSA-N 351.410 2.421 30 40 FEEB CCC[C@@H](C#N)NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 89949393 RFGXQOPKJJSDNG-NSHDSACASA-N 351.359 2.051 30 40 FEEB Cc1cc(N/N=C\c2ccco2)nc(NS(=O)(=O)c2ccc(N)cc2)n1 5030695 MAMIMNIXGVYGHO-ZDLGFXPLSA-N 372.410 2.207 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2)n(C)c1=O 4249197 WCSZNYILTYJZKC-CQSZACIVSA-N 365.437 2.261 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)N[C@H]1c2ccccc2C[C@H]1O 79158216 PXUCJHBSAOXMAG-MSOLQXFVSA-N 354.385 2.067 30 40 FEEB COc1cc(/C=N/n2c(S)nnc2-c2cccnc2)cc(OC)c1O 1478508 HDBVVXVEJJZDON-QGMBQPNBSA-N 357.395 2.234 30 40 FEEB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)c1 35264455 UXNXTRWXMYQIRN-UHFFFAOYSA-N 373.434 2.418 30 40 FEEB O=C(O)c1ccc(/C=N\NC(=S)/N=C/c2ccc(C(=O)O)cc2)cc1 102457074 DHOCECFZBZYIHD-LRPCQRGVSA-N 355.375 2.411 30 40 FEEB C#CCOc1ccc(OC)cc1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 112264485 ZKPZVYHCUZGUSQ-FVUYYEIMSA-N 364.401 2.238 30 40 FEEB COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCO 5124193 GWBZQBGXDBOTTD-KRWDZBQOSA-N 353.374 2.266 30 40 FEEB CC1(C)Cc2c(sc(NC(=O)C(=O)NCc3cccnc3)c2C#N)CO1 6670092 FOCYQZQFJHNYET-UHFFFAOYSA-N 370.434 2.121 30 40 FEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/Cc1ccccn1 408536413 RIRZDPZVCCZZIB-FVOVHSBVSA-N 356.769 2.205 30 40 FEEB CC(=O)c1cccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1 6809461 RYJJPRNTLYJRIU-UHFFFAOYSA-N 356.341 2.073 30 40 FEEB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)ccc1OC 10008898 XDIACJPRNBKRMD-UHFFFAOYSA-N 373.434 2.312 30 40 FEEB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC#N)c2)cc1 2618500 PUKYLLBXRCBFKN-UHFFFAOYSA-N 360.391 2.201 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2ccco2)c1 65652558 HBELYJZRBWEPID-QWHCGFSZSA-N 369.420 2.132 30 40 FEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc([N+](=O)[O-])c1 408740439 KQQGFEJDOIQONW-XKYMITNMSA-N 368.374 2.361 30 40 FEEB C=CCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)O)c1 217570013 NCDLWMFXHJGYQF-UHFFFAOYSA-N 356.444 2.076 30 40 FEEB NC(=S)N/N=C1\CCC[C@@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl 5854439 RJBNNYJHGGOJCR-DAVAUIPMSA-N 356.172 2.370 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@@]12C#N 19933223 AWROAYYIUQYNID-MRVWCRGKSA-N 351.193 2.428 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1 20231938 AZBNLUIWMKREJL-QGZVFWFLSA-N 369.396 2.361 30 40 FEEB N#Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3C#N)CC2)cc1 23249150 SDSSVVCPNRYPEI-UHFFFAOYSA-N 359.433 2.186 30 40 FEEB CN(C)/C=c1/sc2c(C#N)cc(C(=O)c3ccc(Cl)cc3)n2c1=O 3257513 OBSSQYNNUKCCFH-NTEUORMPSA-N 357.822 2.136 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 101306630 GTVQPKCWCMUUMC-YTRIFDNDSA-N 366.508 2.330 30 40 FEEB Cc1ccccc1NC(=O)[C@@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N/O 104274152 AQYPQUIGWBJPNA-JJTVEENBSA-N 351.362 2.262 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(F)cc3)C2=O)c1 408529895 DJAPMUKSVUIUDR-OAHLLOKOSA-N 355.325 2.436 30 40 FEEB O=C1OC2(C(=O)c3ccccc3C2=O)/C(=C(O)/C=C/c2ccccc2)C1=O 18269832 SLVDSPAYMJWUNU-RMRYQALFSA-N 360.321 2.456 30 40 FEEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccccc3O)C(=O)NC2=S)cc1 408766131 ZQMKCWNPXXULSD-UZPSYVQNSA-N 353.403 2.467 30 40 FEEB C=C(C)CNC1=NN=C(c2ccc(N(C)S(C)(=O)=O)cc2)CS1 71808587 UXATTYSPPXOYEF-UHFFFAOYSA-N 352.485 2.055 30 40 FEEB CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2ccc(C#N)cc2)nn1 216757929 KXCBPRJGXOHAQV-LJQANCHMSA-N 358.405 2.419 30 40 FEEB C#CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 137748934 PIWFRYDSUIHVHS-PDGQHHTCSA-N 362.410 2.478 30 40 FEEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCO1 225870288 NZXFODRLAHALOS-SFHVURJKSA-N 351.454 2.448 30 40 FEEB C=CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c(C)n1 19552343 PENGSJMUGXBYBW-BHIFYINESA-N 366.509 2.240 30 40 FEEB COc1cc(C#N)cc(I)c1OCCOC(C)=O 20328905 OKQWIFRDPQKILF-UHFFFAOYSA-N 361.135 2.113 30 40 FEEB Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 51163223 XNRVMFUVFHKOMW-UHFFFAOYSA-N 373.434 2.043 30 40 FEEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1nc(=O)c2ccccc2[nH]1 21916764 YZHVOERRSDMUFG-ZDUSSCGKSA-N 361.405 2.254 30 40 FEEB COC(=O)[C@@H](C)CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 106176859 GSPTWXMEHZSEDY-MGPUTAFESA-N 357.454 2.106 30 40 FEEB CN(C)[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 58283406 RTPMDRDFXPWQGY-LJQANCHMSA-N 363.465 2.295 30 40 FEEB Cc1sc2ncn(C[C@@H](O)COc3ccc(C#N)cc3)c(=O)c2c1C 48252995 QUYZWASSDVOKGG-CQSZACIVSA-N 355.419 2.386 30 40 FEEB O=C(CCN1C(=O)S/C(=C/c2cccs2)C1=O)/N=C1\NCCS1 2648025 IBNLSALRBMLBEI-CSKARUKUSA-N 367.477 2.394 30 40 FEEB N#Cc1c(NC(=O)CCn2nnc3ccccc3c2=O)sc2c1CCC2 13000433 AGABGIFYQTVZCI-UHFFFAOYSA-N 365.418 2.242 30 40 FEEB C=CCN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1cccs1 14093972 XUXPBULUYPIBIF-QGZVFWFLSA-N 371.462 2.016 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nncn1-c1cccc(Cl)c1 9368336 GNEQNZAJBJDPOW-UHFFFAOYSA-N 351.819 2.025 30 40 FEEB Cn1c([C@H](C#N)C(=O)NCCCOCc2ccco2)nc2ccccc21 95455115 OPXBMZIPDROGJW-HNNXBMFYSA-N 352.394 2.497 30 40 FEEB COc1ccc(N2CCN(c3nc(C#N)c(C#N)nc3Cl)CC2)cc1 6822201 NYROLAHTTIVJAR-UHFFFAOYSA-N 354.801 2.209 30 40 FEEB Cn1nccc1[C@@H]1OCC[C@H]1C/N=C(/O)C1CCN(CC(F)F)CC1 329193004 RFFDDEGUWDONQU-XJKSGUPXSA-N 356.417 2.431 30 40 FEEB N#CC1(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CCOCC1 548350935 QOPVDEHHGAJQGU-KBPBESRZSA-N 351.447 2.097 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2cccnc2)cc1OC 5408726 ALRYMAALADYCBB-MRXNPFEDSA-N 354.362 2.307 30 40 FEEB N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3ncccn3)CC2)cc1 245187593 ZPTHCIAHOUJVEM-SHTZXODSSA-N 358.423 2.017 30 40 FEEB C#CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 21903556 NLOGQOIQURYYAM-INIZCTEOSA-N 351.431 2.320 30 40 FEEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ncccc1C 8747168 VMHRPULMBHCDPK-UHFFFAOYSA-N 366.446 2.483 30 40 FEEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1cccc(C(=O)O)c1 13574764 HEFUMRRQUHXWFE-CYVLTUHYSA-N 367.321 2.484 30 40 FEEB C[C@]1(NC(=O)c2ccc(COc3ccccc3C#N)o2)CCS(=O)(=O)C1 50907009 PYAYJDYWIPDNDR-SFHVURJKSA-N 374.418 2.037 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309631 UJADGYYPDMOHQB-RKIWYQNVSA-N 370.540 2.318 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309649 LQWWUZDUGQSMCA-MSHDCXPGSA-N 370.540 2.462 30 40 FEEB CN1C[C@@]2(CCN(C(=O)CC(C)(C)C)C[C@@H]2O)O/C1=N\c1ccccc1 257277827 NZPXEKIXCLBREJ-NXWHXGLTSA-N 359.470 2.404 30 40 FEEB O=C(O)COc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O 409349636 UJRYKHVWMUJIIQ-UHFFFAOYSA-N 373.752 2.101 30 40 FEEB CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)cc1 6819959 CVMLNRLIEXHGDU-JDSLSITLSA-N 357.406 2.341 30 40 FEEB C=C(Br)CNC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 58418799 FXGYWUCMNJQICK-NSHDSACASA-N 353.216 2.215 30 40 FEEB C=CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)cc2)n(C)c1=O 8778498 NWPPPKSQIIUCLC-AWEZNQCLSA-N 365.437 2.179 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N\Cc3ccccc3)C2=O)cc1 408537283 UYBGGYWJKTZTSZ-DEFALTHMSA-N 351.362 2.165 30 40 FEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(C#N)C=O)cc1 252516902 XRCVMIFHAINYGN-IPMKNSEASA-N 369.398 2.372 30 40 FEEB Cc1ccc(N(CCC#N)C(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1C 31756642 BHNLQMKMRWLAFO-UHFFFAOYSA-N 363.421 2.296 30 40 FEEB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 3541613 SHQRJXQEPBUTTD-AWEZNQCLSA-N 366.421 2.464 30 40 FEEB COc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 6809447 AAGGCNBQKPLFMW-UHFFFAOYSA-N 358.357 2.187 30 40 FEEB COc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3OC)C2=O)c1 408537573 WITNLAFOTNQIEG-CQSZACIVSA-N 367.361 2.305 30 40 FEEB C=CCNC(=O)Cn1nnc(-c2ccc(CN3CCCC[C@@H]3C)cc2)n1 35290072 GAVMPCNDYSBKNS-HNNXBMFYSA-N 354.458 2.017 30 40 FEEB C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cn1 225927213 YHPUTRCKVLZEOZ-UHFFFAOYSA-N 371.437 2.004 30 40 FEEB C=CCN1/C(=N/C(=O)c2ccc(Cl)cc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 13629886 MWKQAZXCXUXNPE-RGHHBTPQSA-N 370.883 2.237 30 40 FEEB O=C1NC(=O)[C@H]([N+](=O)[O-])[C@H](/C=C/c2ccc(OCc3ccccc3)cc2)N1 6223263 LOCSSCIIUYAGTP-VESHTZQJSA-N 367.361 2.132 30 40 FEEB N#Cc1cc(N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])cc1C#N 100096837 BMAFYQCEWBHPNE-IUODEOHRSA-N 361.361 2.124 30 40 FEEB Cc1n[nH]c(C)c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 102741348 JNHXOGDHVHIMTI-GROYHEBESA-N 368.437 2.010 30 40 FEEB COCc1cc(C)nc(N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)c1C#N 19419550 OHIMZWHVUYJCMF-CNHKJKLMSA-N 357.326 2.174 30 40 FEEB COCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2272925 ZJZIAAAFQIVBFU-CQSZACIVSA-N 354.410 2.417 30 40 FEEB CC(=O)Nc1cc(S(=O)(=O)N(CCC#N)Cc2ccccn2)ccc1C 97590925 KTPVQTFKRASQOZ-UHFFFAOYSA-N 372.450 2.453 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(Cl)c1 5489119 YGPQNTCBJQJNRN-ZJWOPCONSA-N 358.872 2.270 30 40 FEEB C=CCn1c(SCc2cscn2)nnc1[C@@H]1CCS(=O)(=O)C1 8391529 NIXVXZSCYRHZRI-SNVBAGLBSA-N 356.498 2.115 30 40 FEEB COc1cc(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1OC 409406526 QZQFWHCVANMLPN-FCIDVOKBSA-N 360.797 2.498 30 40 FEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)NC4CC4)C3)C2)c1 96229008 XBVQUFCKGNIYSQ-HXUWFJFHSA-N 354.454 2.349 30 40 FEEB O=C(CCNC(=O)Nc1ccc(Br)cc1)/N=C1/NCCS1 42565847 PYPJGVUWOQLYBD-UHFFFAOYSA-N 371.260 2.180 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccn2)cc1 15109811 IYEFFTIPIXBBDR-KRWDZBQOSA-N 368.389 2.051 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 40049370 NTFRNMNGOVTRQI-MAUKXSAKSA-N 360.479 2.393 30 40 FEEB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 58215398 ALEMTQXHWQVQHS-UZLBHIALSA-N 368.437 2.116 30 40 FEEB Fc1ccc(N=c2[nH]c3nonc3[nH]c2=N/N=C\c2ccccc2F)cc1 408719755 QQGOBIWTMUXQDE-UKWGHVSLSA-N 367.319 2.324 30 40 FEEB CCCCN/C(O)=N/S(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2 40152240 XAWKULOODZLZNZ-UHFFFAOYSA-N 351.428 2.425 30 40 FEEB C=C[C@H](C)n1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)cn23)n(C)c1=O 5076212 LIKKWKJAMPQUDI-NSHDSACASA-N 367.384 2.333 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 21472469 WZRBJMHJXWRUQT-FQEVSTJZSA-N 363.417 2.042 30 40 FEEB N#CC1(C(=O)N2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)CCCC1 1565552641 QWYLMSKWTUJIKF-KXBFYZLASA-N 355.442 2.123 30 40 FEEB Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1cccnc1)O2 22883075 RHRBWBSVSMPWGS-WQRHYEAKSA-N 365.433 2.459 30 40 FEEB Cc1nn(C)c2ncc(C(=O)OCC(=O)Nc3sccc3C#N)cc12 24148783 GIVJVJLVSLACNR-UHFFFAOYSA-N 355.379 2.005 30 40 FEEB Cc1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 20236693 NYTYIUHEPHNRDA-UHFFFAOYSA-N 357.435 2.466 30 40 FEEB N#C[C@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@H]1c1ccc([N+](=O)[O-])cc1 618256023 DKSSVUKCULUNJL-CABCVRRESA-N 374.360 2.396 30 40 FEEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 5445564 LWORUDMOAVITCN-QGZVFWFLSA-N 351.358 2.438 30 40 FEEB CCn1nnc2cc(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)ccc21 5805432 PVSNWMWDEUNDFA-UHFFFAOYSA-N 369.425 2.293 30 40 FEEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)c1 575608082 WHONEOZPTGWLID-HNNXBMFYSA-N 365.389 2.408 30 40 FEEB N#Cc1ccc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cn1 2298053759 QAMYSKJJFJJFNM-UHFFFAOYSA-N 361.405 2.391 30 40 FEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1OC 1085004 GCOBKVQKGZTUAK-OAHLLOKOSA-N 359.378 2.168 30 40 FEEB CC(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@H](C)NC(=O)OC(C)(C)C)c1 48560843 LMNMGGLRWHLCJE-JTQLQIEISA-N 370.427 2.448 30 40 FEEB COc1cc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)ccc1O 5457921 VDULJFTWNBLDMB-CAOOACKPSA-N 356.411 2.042 30 40 FEEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O 409217032 QYSVWMDLGUJSRX-GRSHGNNSSA-N 358.354 2.304 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 36638678 OHIXNIFYWWSXSB-XAUALZESSA-N 352.481 2.334 30 40 FEEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225637765 GULZMGUKVRZKRD-FHWLQOOXSA-N 357.431 2.446 30 40 FEEB CC(=O)N1CCCN(C[C@@H]2CCCN(c3cccc(F)c3C#N)C2)CC1 571971188 BDGFQYMNZLOXJQ-KRWDZBQOSA-N 358.461 2.468 30 40 FEEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 95915219 KRUNUBNEDARZSE-PTTFWAKNSA-N 374.434 2.222 30 40 FEEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)c1ccccc1F 253376784 UYXXCVPIYPDMDW-QRTARXTBSA-N 355.431 2.196 30 40 FEEB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(Cc2ccccc2C#N)C3)n1 253478996 ODZYGALVOPDGAD-GOSISDBHSA-N 350.422 2.469 30 40 FEEB N#Cc1ccnc(N2C[C@@H]3CN(c4ncccc4C(F)(F)F)C[C@H]3C2)n1 1888854309 XIFPQJRFTLZYNF-RYUDHWBXSA-N 360.343 2.335 30 40 FEEB N#Cc1cccnc1N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888900999 AMECIFRIOGCUAC-UHFFFAOYSA-N 358.405 2.442 30 40 FEEB C/C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 100750217 WXEVZMZTHQDYCI-IRMDSBRYSA-N 360.410 2.098 30 40 FEEB biogenic CC1=NN(C(N)=S)C(=O)/C1=N/Nc1ccc(C(=O)c2ccccc2)cc1 101394677 XOOIAKXNFGBJCC-RCCKNPSSSA-N 365.418 2.147 30 40 FEEB CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CCN(CCO)CCO)CC[C@H]21 4027738 UTGGCPQMMNZKJB-UZKOGDIHSA-N 373.493 2.374 30 40 FEEB biogenic Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C#N)cc3)C2=O)cc1 14168516 ZNTQOAFWWMZTIU-FQEVSTJZSA-N 362.389 2.272 30 40 FEEB C/C=C/Cn1c(N/N=C/c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 4730455 MSKOGVLYAGITEA-VAKDNYGLSA-N 372.816 2.099 30 40 FEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 5813182 VVOVTRMHSIUNJU-UHFFFAOYSA-N 368.393 2.038 30 40 FEEB COc1ccc(CN2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc1 15363126 RUTOYGLIOJYNKZ-UHFFFAOYSA-N 371.462 2.073 30 40 FEEB C#CCOc1c(Br)cc(/C=N/NC(=S)NCC)cc1OC 409372498 LIUCFHBWBHGPQN-RQZCQDPDSA-N 370.272 2.288 30 40 FEEB C#CCOc1c(OC)cc(Br)cc1[C@@H]1N[C@@H](C(=O)O)CS1 408815853 VHQXUMJIOQHIPR-ZWNOBZJWSA-N 372.240 2.258 30 40 FEEB C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2S(=O)(=O)c1ccc(F)cc1 253375620 QKTRZPFMPHOOOW-JQFCIGGWSA-N 355.431 2.196 30 40 FEEB CC(C)(C)NC(=O)[C@H]1CCN(c2ncc(Br)cc2C#N)C1 1889070237 FUAPNMAFWJUBOY-JTQLQIEISA-N 351.248 2.457 30 40 FEEB CN(C)c1ccc(/C=N/N=C2\C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 4619977 GHMOXEQVDUWKSQ-QPCLUCCGSA-N 351.366 2.460 30 40 FEEB N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 7135526 GQHXMSIMDPNQEQ-UHFFFAOYSA-N 365.361 2.409 30 40 FEEB COC(=O)[C@@H](C)CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 58264347 GSPTWXMEHZSEDY-YWZLYKJASA-N 357.454 2.106 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 4248255 GMAPHYUPNXKJNC-CQSZACIVSA-N 369.396 2.413 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 5489876 HGUCMUSCDIICCD-XJFZTKQQSA-N 352.481 2.315 30 40 FEEB Cn1ccnc1[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1F 8746391 DNKJICMGNYNCII-QGZVFWFLSA-N 370.409 2.499 30 40 FEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1OC 222369915 XMHDEEIHFNLZDA-JRKZAUSHSA-N 352.390 2.091 30 40 FEEB C=CCc1cc(CNC(=O)N2CC[C@@H](O)C(F)(F)C2)cc(OC)c1OC 663877159 SPTHWNYIOOYNOG-OAHLLOKOSA-N 370.396 2.344 30 40 FEEB O=[N+]([O-])c1ccc(/C=N/NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1682137 REZHYZXMSTVEOF-CZCYGEDCSA-N 372.366 2.335 30 40 FEEB CC(=O)Nc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 42304041 PQSDNAZRNUWSCV-IZZDOVSWSA-N 369.402 2.035 30 40 FEEB Cc1cc(S[C@@H](C)C(=O)NC(N)=O)n2c(nc3ccccc32)c1C#N 4404025 TZNHZHGMYIVUFG-JTQLQIEISA-N 353.407 2.343 30 40 FEEB Cc1nnc(CCCN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 89736319 MRLDYZTWLZZOMU-UHFFFAOYSA-N 368.397 2.253 30 40 FEEB CC(=O)O[C@@H]1[C@H]2CC(C)(C)C[C@H]2N[C@@H]1[C@H](C#N)N(O)Cc1ccccc1 68569274 ZADMZLKTVVOXQX-ZWJWXYIHSA-N 357.454 2.478 30 40 FEEB CCO[C@H](C)n1cc([C@H]2[C@H]3C(=O)CC(C)(C)C[C@@H]3O[C@@H](N)[C@H]2C#N)cn1 408717910 HMTDBNOQQCQJMQ-JIQRMPJHSA-N 360.458 2.350 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@]1(C=O)NC(=O)OC(C)(C)C 218029974 FHOQQMNWWGYZEU-CPUCHLNUSA-N 353.440 2.050 30 40 FEEB NC(=S)N/N=C1\CCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl 5854443 RJBNNYJHGGOJCR-LLSRNJBRSA-N 356.172 2.370 30 40 FEEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\CC(C)C)NC2=O)c(OC)c1 21883884 DJCGVLLLCRILAN-AWEZNQCLSA-N 365.455 2.276 30 40 FEEB C#CCN(CC(=O)Nc1sccc1C(N)=O)[C@H]1CCc2ccccc21 47405977 WUWUIWDAQSSVKW-INIZCTEOSA-N 353.447 2.408 30 40 FEEB Cc1nn(C)c(C)c1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 47011261 UXUABRDFGJZSTO-UHFFFAOYSA-N 367.497 2.432 30 40 FEEB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCS 408725814 IFFTZPFENPQKIB-UHFFFAOYSA-N 364.492 2.312 30 40 FEEB C=CCN1CC[C@]2(CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O 96224049 SXKJBSRLIRWACF-KRWDZBQOSA-N 352.431 2.015 30 40 FEEB CC(=O)Nc1ccc(C#CC2(NC(=O)CN3CCCC3)CCCCC2)cn1 12219580 YJONHJXJZBAAOF-UHFFFAOYSA-N 368.481 2.306 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 101318160 LNPWGEOQVXFUBI-NHYXNVPJSA-N 364.492 2.315 30 40 FEEB CCCCc1c(C#N)c(=O)n2c(=N)c(C(=O)OCC)c[nH]c2c1SC 104272154 WPLSPDLRYJZBAN-UHFFFAOYSA-N 360.439 2.220 30 40 FEEB COc1cc(OC)c(OC)cc1/C=N/N=C(\S)NC[C@@H]1CCCO1 13482218 MOITUGOJVYSDFE-BEAUZRKQSA-N 353.444 2.101 30 40 FEEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)C(C(=O)OC)=C(C)N2 4292278 LUEPBVGZKGMYMO-CYBMUJFWSA-N 370.434 2.447 30 40 FEEB Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccncc1)O2 22883082 LFEYHMNUOTWWCP-PDGQHHTCSA-N 365.433 2.459 30 40 FEEB N#Cc1cc2c(nc1N1CC(N3CCc4sccc4C3)C1)CCOC2 1776001930 TUKRWUNYSWXLLP-UHFFFAOYSA-N 352.463 2.334 30 40 FEEB N#CC1(C#N)C(c2ccc(C3C(C#N)(C#N)C3(C#N)C#N)cc2)C1(C#N)C#N 5813210 WYTZXTXKOCVGAT-UHFFFAOYSA-N 358.324 2.015 30 40 FEEB NC(N)=NN=C(/C=C\c1ccc([N+](=O)[O-])o1)/C=C/c1ccc([N+](=O)[O-])o1 31361239 XQCFHQBGMWUEMY-OKMRXIEXSA-N 360.286 2.045 30 40 FEEB C=CCOc1ccccc1/C=C1\SC(N2CCN(C(C)=O)CC2)=NC1=O 2072258 WBHJJPKOLGFVCU-LGMDPLHJSA-N 371.462 2.386 30 40 FEEB COc1ccc(C(=O)OCC#N)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 21992534 XPQIIQDFRXQXPM-CHWSQXEVSA-N 366.439 2.042 30 40 FEEB N#Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 6287466 MCYTVQQNFKWTSD-AWEZNQCLSA-N 363.373 2.321 30 40 FEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12613014 VMCIANRABCSTDK-OAHLLOKOSA-N 365.437 2.111 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)CCC2CCCC2)CC1 27122631 ABASARHLOSZYQI-HXUWFJFHSA-N 362.518 2.155 30 40 FEEB COc1cccc(S(=O)(=O)/N=C(\O)c2cccc(C[S@@](C)=O)c2)c1 58186971 XZRUVZFGOKVWMJ-QHCPKHFHSA-N 367.448 2.267 30 40 FEEB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)CCC2)c1cccc(C#N)c1 12770281 ACQRXNWCBIRJPR-UHFFFAOYSA-N 369.446 2.452 30 40 FEEB C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 28665744 CMCRLPMYNWTNCD-KRWDZBQOSA-N 372.446 2.405 30 40 FEEB Cc1cccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1C 101310696 PYWBTLKBGTUJMS-UICBKRPASA-N 364.492 2.315 30 40 FEEB C#CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1nnnn1C1CC1 72268180 GJNKDZZNZLIMNZ-HNNXBMFYSA-N 366.425 2.321 30 40 FEEB C=C(C)CN1C(=O)/C(=C/Nc2ccc(C(C)=O)cc2)C(=O)N(C)C1=S 5457027 PKHPIIWNCWPXJT-OQLLNIDSSA-N 357.435 2.347 30 40 FEEB CC(C)Cn1c(CCC(N)=O)nnc1SCCOc1ccc(C#N)cc1 17274992 HNXWHEJVWOBLNF-UHFFFAOYSA-N 373.482 2.395 30 40 FEEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)ccc1O[C@@H](C)C(=O)O 409009688 HMAAQPCTCPRGFD-WBFHQNOSSA-N 360.326 2.296 30 40 FEEB Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 585797391 UFXQQGATABUASB-KBXCAEBGSA-N 355.442 2.348 30 40 FEEB CN(C)C(=O)C[C@]1(O)CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 591617318 ARBVYUDNARZMTR-MRXNPFEDSA-N 355.360 2.387 30 40 FEEB O=C1NC(=O)N(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[C@@H]1O 5639789 VEVCGFUNQDTPCR-URSXVQGUSA-N 354.149 2.458 30 40 FEEB CCOc1cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1O 5953472 FSGVDYLQPSMDOK-KEBDBYFISA-N 361.377 2.003 30 40 FEEB C[C@@]1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCCO1 79069563 LNWYGDUBPLQYRZ-IBGZPJMESA-N 371.416 2.083 30 40 FEEB C=CCn1nnc(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)n1 10148878 FGJPFGUGEBJOSW-UHFFFAOYSA-N 370.325 2.288 30 40 FEEB O=C1CN(C/C(O)=N/c2nc(-c3ccccc3Cl)cs2)CCN1 12810674 RBFMUJMKXMWHKM-UHFFFAOYSA-N 350.831 2.483 30 40 FEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 3429310 SYNWIUVLLFVHQB-UHFFFAOYSA-N 363.373 2.285 30 40 FEEB N#CC1(NC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)CCCCC1 12945590 MFYFGVGAYDDMBF-UHFFFAOYSA-N 368.481 2.223 30 40 FEEB CC/C(C)=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 5396322 JXHUOQVTWAQTTG-LPYMAVHISA-N 368.441 2.254 30 40 FEEB C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 15359022 NBXSYHKIULCKDV-GFCCVEGCSA-N 364.448 2.001 30 40 FEEB Cc1nn(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c(C#N)c1C 19299335 AGORYTXAHNHSFJ-HILYYZTDSA-N 368.481 2.453 30 40 FEEB N#Cc1ccsc1NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 9981806 LNACNNCAPVYKRR-UHFFFAOYSA-N 371.447 2.284 30 40 FEEB CC1(C)CC(=O)[C@@H]2[C@H](C1)O[C@H](N)[C@H](C#N)[C@@H]2c1cnn(CC(F)F)c1 408717930 SZKZKYLZPFYQEC-CEVLKMKRSA-N 352.385 2.060 30 40 FEEB CCn1cc(CN2C[C@@H]3OC[C@H](CCOc4ccc(C#N)cn4)[C@@H]3C2)cn1 306130883 JRUCXQLFYUYEGE-FHWLQOOXSA-N 367.453 2.086 30 40 FEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Br)ccc1O 254593841 RBZDTQLAQDWVSS-LBLXLQPISA-N 361.195 2.296 30 40 FEEB N#C[C@]1(C=O)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 252516160 QJYYDIWGRMIQGV-KSZLIROESA-N 355.371 2.064 30 40 FEEB CCN(Cc1ccc(C#N)cc1F)C(=O)Cn1cnc2ccccc2c1=O 44573396 KPGZLLOWFYGJFD-UHFFFAOYSA-N 364.380 2.456 30 40 FEEB Cc1cc(N2C[C@H](C(=O)O)CC2=O)ccc1-c1ccc(C#N)cc1CO 594871979 LLCISQFRSMGFBK-CQSZACIVSA-N 350.374 2.464 30 40 FEEB N#Cc1ccc(N2C[C@@H]3CN(C(=O)CSc4ccncc4)C[C@H]3C2)nc1 1888866567 OUGZGHPJYSTNTF-HZPDHXFCSA-N 365.462 2.035 30 40 FEEB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1sccc1C#N 16795541 SWMDWFHODRCOMS-SECBINFHSA-N 358.379 2.294 30 40 FEEB C=CCn1/c(=N/C(=O)c2ccccc2)sc2cc(S(N)(=O)=O)ccc21 100874577 OGYKMXAVDKIDML-ZPHPHTNESA-N 373.459 2.277 30 40 FEEB COC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21 935398 ARHXOOBHRBTOKG-MSUUIHNZSA-N 366.348 2.489 30 40 FEEB CC(C)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 170031083 UEFVOCVOZZVVNE-UHFFFAOYSA-N 358.291 2.152 30 40 FEEB CNC(=O)c1ccc(/C=C/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)cc1 48503791 RNFKJFZGMKQHIQ-IZZDOVSWSA-N 369.402 2.276 30 40 FEEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc(OC)c1OC 20085968 WVRATPDGLUGCNM-INIZCTEOSA-N 356.382 2.326 30 40 FEEB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCS)cc1 408726516 MMWACKBIRPTJRT-UHFFFAOYSA-N 364.492 2.312 30 40 FEEB CC(=O)Nc1ccc(C(=O)NCC#CCN2CCc3ccccc3C2)cc1 75164984 PWCIBIHZJPOZJS-UHFFFAOYSA-N 361.445 2.437 30 40 FEEB C[C@@]12CC[C@@H]3C[C@]1(C(N)=O)N(/N=C/c1ccc4c(c1)OCCO4)C[C@]32C 245241528 HYDLBECAYASHLH-NGZKTPQISA-N 355.438 2.158 30 40 FEEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1c2c(nn1C)CCC2 299216221 IJEUJIUUZULYHT-UHFFFAOYSA-N 363.425 2.011 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC)cc1 16741082 UKRUUMFKDDBCSG-OVZRNVPMSA-N 368.480 2.097 30 40 FEEB N#Cc1cccnc1N1C[C@H]2CN(c3ncc(Br)cn3)C[C@@H]2C1 2086861242 XQELBLILMCCFDU-STQMWFEESA-N 371.242 2.078 30 40 FEEB COc1ccc(Cn2c(=N)c(C#N)cc3c(=O)n4ccccc4nc32)cc1 100812502 FFXQGKOYDZTYTE-UHFFFAOYSA-N 357.373 2.057 30 40 FEEB C=CCNC(=O)[C@@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C 21603217 XJNAMIMUWFSGEU-BXUZGUMPSA-N 360.439 2.110 30 40 FEEB COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc(Cl)c1O 103916990 DOAZLJJZTAJMSX-XTTWKSEASA-N 372.808 2.441 30 40 FEEB CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)c1ccc([S@](C)=O)cc1 48677115 YHTSOCNYUUSHGD-HSZRJFAPSA-N 366.464 2.105 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C#N)cc3)C2=O)c1 408527858 AEIZHLHTJSSVOF-INIZCTEOSA-N 362.345 2.168 30 40 FEEB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1/N=C/c1ccc(Cl)cc1Cl 9575253 DKGFBWOOMIITLX-LAOIWMIFSA-N 364.279 2.476 30 40 FEEB CN1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 225366182 PYQHUAKAECCZRV-RBBKRZOGSA-N 365.477 2.481 30 40 FEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)c1 100058644 FMCNYTQYSYLTNI-ZVCFCMFFSA-N 352.390 2.235 30 40 FEEB CCNC(=S)N/N=C/c1ccc(OC)c(Cn2nnc3ccccc32)c1 20352945 AQNUDQPUTOAUOR-RGVLZGJSSA-N 368.466 2.306 30 40 FEEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCC(C)(C)CN(C)C 32806228 VGRRGSAPQNBOAW-ZDUSSCGKSA-N 355.442 2.410 30 40 FEEB N#Cc1cn(C2CC2)c(=O)n(Cc2coc(-c3cccc(F)c3)n2)c1=O 42156626 DSGNKXRYKGRAGB-UHFFFAOYSA-N 352.325 2.059 30 40 FEEB CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 6386560 APAVEHQFOVHKMH-MGPQQGTHSA-N 354.410 2.414 30 40 FEEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309643 LQWWUZDUGQSMCA-AHHDMHGASA-N 370.540 2.462 30 40 FEEB C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 12900107 NHDJXRCRIOPCQH-DNVCBOLYSA-N 363.421 2.229 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 5249694 AKJQTXLBCBVYOV-HJPHCXOUSA-N 352.481 2.397 30 40 FEEB C=CCSc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 4139129 WAKJPHMVJMENCW-UHFFFAOYSA-N 358.398 2.111 30 40 FEEB Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1 102889380 FAFFDMFTTCIQRJ-GROYHEBESA-N 371.389 2.019 30 40 FEEB N#C[C@@H](C(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1F 103483240 MGDWYGPLKJPYOF-HNNXBMFYSA-N 364.332 2.404 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)COCCOc1ccccc1 53469358 WIQPEVOZGYDOIP-UHFFFAOYSA-N 357.385 2.321 30 40 FEEB C[C@H](NC(=O)c1cccs1)C(=O)NCCNc1cccc(F)c1C#N 47332492 JXLSTBDZDJAISU-NSHDSACASA-N 360.414 2.105 30 40 FEEB C=CCN(CC=C)C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 9051954 FCAJJSVRZSSYKB-FQEVSTJZSA-N 367.405 2.400 30 40 FEEB COc1ccc(C(=O)[C@@H]2C(C#N)(C#N)[C@]23CC[C@@H]2CO[C@@H]3O2)cc1OC 100792779 DGCMRHAWYXCCBH-MYFFOXHASA-N 354.362 2.072 30 40 FEEB CS(=O)(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccccc2Cl)cc1 48576706 IUVIBIYVOXKSNY-UHFFFAOYSA-N 373.839 2.437 30 40 FEEB Cc1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccccc2C#N)c1 7378615 ZBUCMDGXRHHXMF-UHFFFAOYSA-N 357.435 2.434 30 40 FEEB N#Cc1c(NC(=O)Cn2nnc(-c3ccsc3)n2)sc2c1CCC2 8000106 VYICKKCPGXRODX-UHFFFAOYSA-N 356.436 2.462 30 40 FEEB Cn1cc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)c(=O)n(C)c1=O 96998057 KCHFIBGMRSEQBU-OQFOIZHKSA-N 367.188 2.050 30 40 FEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1OC 100301918 XMHDEEIHFNLZDA-LFDDWLOLSA-N 352.390 2.091 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@]1(C=O)NC(=O)OC(C)(C)C 218655824 PBQBRRSSGBNDSA-RKVPGOIHSA-N 367.467 2.358 30 40 FEEB CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 111423146 ZSBOIPHQFKYRMG-UHFFFAOYSA-N 371.221 2.056 30 40 FEEB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 585149817 PZOOKSZWHKBPFJ-DLBZAZTESA-N 353.466 2.479 30 40 FEEB O=C1/C(=C/c2c[nH]c3ccccc23)N(CCO)S(=O)(=O)c2ccccc21 32059315 ADTBSYAIWPFCHO-BOPFTXTBSA-N 368.414 2.388 30 40 FEEB C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1 8475745 UQUSJVMXAPXNFN-UHFFFAOYSA-N 352.456 2.222 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 15360200 RLBYQTHGOPGGRI-OAHLLOKOSA-N 353.407 2.127 30 40 FEEB C#CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OCC 409343684 IPXPHZSZQWDSAQ-UHFFFAOYSA-N 363.373 2.395 30 40 FEEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(O)nc(O)c32)ccc1O 17781847 PGZYBLSMZMJSLO-CYBMUJFWSA-N 355.350 2.167 30 40 FEEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408537243 UTQUMKBGFHRERM-ZDUSSCGKSA-N 355.325 2.436 30 40 FEEB C=CCn1ncc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)c1C 12121804 QFCIRJUANZTGOD-UHFFFAOYSA-N 362.437 2.493 30 40 FEEB C/C(=N\Nc1nc2nonc2nc1Nc1ccc(F)cc1)c1nonc1C 16265802 NJYVGMKTBBLJFQ-IFRROFPPSA-N 369.320 2.423 30 40 FEEB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(C#N)cc3)o2)cc1 4585685 MXNSRXIQBGDDJH-UHFFFAOYSA-N 368.374 2.264 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@@H]2c2ccc(C)cc2)cc1 102566551 RXUPDQCOULKXMI-SELCWUDQSA-N 367.401 2.418 30 40 FEEB COc1ccc([C@H](O)/C(=N/N)c2nc3ccc(Cl)cc3nc2O)cc1 102944560 PTQUNNORZBNADX-SITPEIFSSA-N 358.785 2.394 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 101310003 RIMPXQJTQJWWAX-OCWZUINPSA-N 352.481 2.315 30 40 FEEB N#Cc1ccc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12999318 QGNDPKJVDMWPHN-UHFFFAOYSA-N 365.433 2.086 30 40 FEEB CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc2c(c1)OCCO2 16088316 KLQNSHFZTVAEHF-UHFFFAOYSA-N 361.375 2.496 30 40 FEEB Cc1cccn2c(=O)c(/C=N/C[C@H]3CCCO3)c(NC[C@@H]3CCCO3)nc12 96517717 IKAITTIJOLZLNG-SFFRAUMXSA-N 370.453 2.192 30 40 FEEB Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)no1 95938957 KOFQEWMQHFICAM-CYBMUJFWSA-N 357.389 2.143 30 40 FEEB O=C(O)/C(=C\C(=O)c1ccccc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8856042 ZBGJWYSYUMXCQA-UKTHLTGXSA-N 372.293 2.271 30 40 FEEB COC(=O)c1ccc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1 96119268 ROTDLODQXKQKGS-UHFFFAOYSA-N 365.389 2.423 30 40 FEEB N#Cc1ccc(OCCNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CN)C2)cc1 599918804 KYRTVQIPVYGKCV-ZFWWWQNUSA-N 370.375 2.106 30 40 FEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)C4(F)CCC4)C3)C2)n1 1614947811 NPYQHOXBEVLUCK-IBGZPJMESA-N 372.444 2.291 30 40 FEEB N#Cc1c(N)nc(-c2cccnc2)nc1CCCNC(=O)c1ccccc1 32936440 CSUWGBAKGAPLCU-UHFFFAOYSA-N 358.405 2.355 30 40 FEEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(OC)c1 9060797 TYKIVYPNTCCXPB-HUUCEWRRSA-N 352.481 2.346 30 40 FEEB CC1=C(C(N)=O)[C@@H](c2ccc(C#N)cc2)N2NC(c3cccs3)=NC2=N1 940767 LAFOFRPQRDUTCD-OAHLLOKOSA-N 362.418 2.057 30 40 FEEB Cc1nn(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c(C#N)c1C 24990524 MHODFNTUIZBQHL-UHFFFAOYSA-N 364.449 2.213 30 40 FEEB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N 9255194 IVZOVSYLQAVQGZ-SNVBAGLBSA-N 355.306 2.356 30 40 FEEB COc1ccccc1N=C[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408534824 MNKMSZGMKAZJLM-RMRHIDDWSA-N 355.394 2.281 30 40 FEEB COCc1cc(C)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(=O)c1C#N 409412424 WQJIMIUWKYIARS-UHFFFAOYSA-N 370.365 2.030 30 40 FEEB COc1cc(/C=N\N2C(=O)CSC2=S)cc(Br)c1O 97991325 CCGVPHHVIDJTAS-PQMHYQBVSA-N 361.242 2.358 30 40 FEEB Cc1cccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 16741153 CFSNCLWFQPZSKD-SZGQWAQFSA-N 352.481 2.252 30 40 FEEB C=CCNC(=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23105355 SGQIKWQYRPOSJZ-UHFFFAOYSA-N 363.461 2.222 30 40 FEEB COc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)NCCc3ccccc3)N2)cc1 9061048 BFJMIULCWFGSEY-KRWDZBQOSA-N 366.421 2.360 30 40 FEEB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2cccs2)n2nnnc2N1 10232442 UFPAZLSJNKCFRF-GFCCVEGCSA-N 373.419 2.121 30 40 FEEB CC(=O)NC1=C(Nc2ccc3c(c2)OCO3)C(=O)c2ccccc2C1=O 5447479 GAXLQCCVWDXPFZ-UHFFFAOYSA-N 350.330 2.254 30 40 FEEB CN1C(SC2=CS(=O)(=O)c3ccccc32)=NNC1=C1C=CC(=O)C=C1 137344322 UXKLCZVHFHHKIW-UHFFFAOYSA-N 371.443 2.218 30 40 FEEB CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](/N=C/c2ccccc2)[C@H]1O 5181607 OYPGACRUYYAGDH-LKMZZOKNSA-N 369.417 2.321 30 40 FEEB Cc1onc(CC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1C#N 572218035 KZLHOCVDYIGVMZ-HNNXBMFYSA-N 352.438 2.378 30 40 FEEB C=CCNC(=O)CN(CC(=O)NCC=C)c1ccc(OC2CCCC2)cc1 31465283 AHIUFNQKGYXFPE-UHFFFAOYSA-N 371.481 2.419 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(O)c1 103873871 XBYHDXALNNDETN-GROYHEBESA-N 353.374 2.460 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)Cc3cn4ccsc4n3)CC2)cc1 23437824 SPKJQLFAWUEUBL-UHFFFAOYSA-N 365.462 2.154 30 40 FEEB C#Cc1cccc(NC(=O)CNC(=O)c2cccc(Cn3ccnc3)c2)c1 55704685 QXJBZBZTYUVJNQ-UHFFFAOYSA-N 358.401 2.281 30 40 FEEB CNC(=S)N/N=C/c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 104265566 GWZGNAKQSKVUKP-KEBDBYFISA-N 371.853 2.467 30 40 FEEB N#Cc1ccc(OCCOC(=O)Cc2csc(N3CCCC3=O)n2)cc1 19476663 RRMGQSMRVILGPX-UHFFFAOYSA-N 371.418 2.306 30 40 FEEB C#CCN(Cc1ccc(F)cc1)C(=O)CCc1c(C)nc2ncnn2c1C 58192843 WSKWNCXQOIBFSL-UHFFFAOYSA-N 365.412 2.475 30 40 FEEB N#Cc1c(OCC(=O)N2CCOCC2)nc(-c2ccccc2)c2c1CCC2 13726385 YZTUJXOIYNHYQY-UHFFFAOYSA-N 363.417 2.347 30 40 FEEB NC(=O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 5888503 KUEGRYUFHXPDDO-MRXNPFEDSA-N 370.792 2.404 30 40 FEEB N#Cc1nc([C@@H]2C[C@H]2c2cccc(F)c2)oc1N1CCN(C(N)=O)CC1 1775975313 HBKNILGXUNJHRQ-UONOGXRCSA-N 355.373 2.157 30 40 FEEB CCOC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)=CC(=O)C=C1C 16807592 XNXVLULCDBVDRY-UHFFFAOYSA-N 366.395 2.081 30 40 FEEB CC(C)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)C(=O)O 594539340 ZKXRUAODCGJXBI-MRXNPFEDSA-N 358.442 2.137 30 40 FEEB COC1(CNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)CCSCC1 244969168 HCHDEYRGWCPZHE-UHFFFAOYSA-N 367.858 2.179 30 40 FEEB C=C(C)C[C@](NS(=O)(=O)c1ccccc1)(C(=O)OC)C(F)(F)F 2503853 VMMMUNRZXHCEOQ-ZDUSSCGKSA-N 351.346 2.405 30 40 FEEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 17029063 UHPOVFFKKXOUGP-BCHHYXHLSA-N 370.471 2.079 30 40 FEEB CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)c1 6819975 DQUZRLXHEYWQCK-ZLENFMNRSA-N 357.406 2.341 30 40 FEEB N#C[C@@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)NC12CCCC2 10382065 GXNGBLMVUXPAQL-MRXNPFEDSA-N 371.872 2.400 30 40 FEEB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2cc(C)c(C#N)c2)c1 84774008 HZOUGZXIMYZHQA-UHFFFAOYSA-N 374.466 2.337 30 40 FEEB C=CCNC(=O)[C@@H](C)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27773700 UCAJHTATCOPWGL-CQSZACIVSA-N 371.403 2.394 30 40 FEEB C=CCc1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc(OC)c1OC 409392073 NSPPOMRNGLXUPH-UKTHLTGXSA-N 360.435 2.079 30 40 FEEB CCn1ncc(/C=N/Nc2nc(=O)c3c(C)cc(C)nc3n2CC)c1F 252510465 ZLJXGPVWYMBYSM-UFWORHAWSA-N 357.393 2.230 30 40 FEEB C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 15934528 AXPITIZLRNGWOI-MHWRWJLKSA-N 363.351 2.026 30 40 FEEB O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2ccccc2F)c2ccccc21 18201199 UCOQYMKWHBPZBS-CYBMUJFWSA-N 361.332 2.367 30 40 FEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)c1 12419797 FMCNYTQYSYLTNI-HAASJPAPSA-N 352.390 2.235 30 40 FEEB CCOc1ccc(NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc1 810879 SPIZWAXBPOJZSW-UHFFFAOYSA-N 355.394 2.212 30 40 FEEB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 12533788 RDESHXHKJNSPJA-UHFFFAOYSA-N 371.462 2.216 30 40 FEEB C=CCN(CC=C)CC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2)NC(=O)N1 51318444 FWFVKFZGUBEKDF-GOSISDBHSA-N 355.438 2.450 30 40 FEEB CCOc1cc(C=NNc2ncc(F)c(N3CCOCC3)n2)ccc1O 254447702 FSGVDYLQPSMDOK-UHFFFAOYSA-N 361.377 2.003 30 40 FEEB OB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F 196007958 MQXCDPDLPMAEIE-UHFFFAOYSA-N 361.931 2.176 30 40 FEEB CC(C)NC(=O)CN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 17306408 ICMQLZBJMQMVTM-UHFFFAOYSA-N 362.499 2.284 30 40 FEEB N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1 252527518 CTQDCOSUXQZCKC-SHTZXODSSA-N 358.423 2.017 30 40 FEEB C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nnsc2Cl)cc1 21470006 QADJXLRUDKRYPT-UHFFFAOYSA-N 373.843 2.013 30 40 FEEB N#Cc1ccccc1NC(=O)CCN1CCN(C(=O)C2CCCC2)CC1 23057610 MAHXCDZOLXVZMN-UHFFFAOYSA-N 354.454 2.221 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1Cl 58181526 GVLCWPOCXJUUGN-AWEZNQCLSA-N 353.875 2.461 30 40 FEEB Cc1cccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 101312411 LUVYUNKFNBXUDW-QLXQBBHQSA-N 350.465 2.006 30 40 FEEB C=CCn1c(S[C@H](C)C(=O)NC(=O)NCC)nnc1-c1ccccc1 3522129 QEZZWVLNHUVRBE-GFCCVEGCSA-N 359.455 2.457 30 40 FEEB CN1/C(=C\C(=O)Cn2cnc3c(cnn3C)c2=O)C(C)(C)c2ccccc21 13425599 OXQKXGPVXUFFLH-MFOYZWKCSA-N 363.421 2.011 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)cc1 16741079 UKRUUMFKDDBCSG-XJFZTKQQSA-N 368.480 2.097 30 40 FEEB COCCNC(=S)NCCNc1nc2c(C)c(C)ccc2cc1C#N 35291913 NZZHZYWJIQJKFV-UHFFFAOYSA-N 357.483 2.246 30 40 FEEB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 31812278 JLPHOQCAYMHLOY-CYBMUJFWSA-N 370.376 2.193 30 40 FEEB C=CCN(CC=C)C(=O)[C@@H](C)n1nc(-c2c(C)nn(C)c2C)ccc1=O 72339967 MMJOOSFGOOTOTA-OAHLLOKOSA-N 355.442 2.022 30 40 FEEB Cc1cccn2c(=O)c(/C=N/C[C@@H]3CCCO3)c(NC[C@@H]3CCCO3)nc12 96517716 IKAITTIJOLZLNG-AIEOMDLASA-N 370.453 2.192 30 40 FEEB Cc1cc(C(=O)N2CC[C@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)[nH]n1 96072602 JZCKDMUSXRFWNW-LPHOPBHVSA-N 351.410 2.076 30 40 FEEB C=C1C(=O)O[C@@H]2[C@H](OC(=O)/C(C)=C\C)C(C)=CC(=O)C=C(C)C[C@H](O)[C@@H]12 585660645 SCJIZBIZKYTHRQ-VVORMMHZSA-N 360.406 2.189 30 40 FEEB biogenic,in-vitro COC1(OC)N=C(N)[C@@]2(C#N)[C@H](c3ccc(Cl)cc3Cl)[C@]12C#N 100215594 AWROAYYIUQYNID-YUTCNCBUSA-N 351.193 2.428 30 40 FEEB C#CCNS(=O)(=O)c1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 40013482 PHZBOINAOBUWBC-UHFFFAOYSA-N 372.490 2.297 30 40 FEEB C=CCc1ccc(OCC(=O)Nc2cccc(OCC(N)=O)c2)c(OC)c1 22754025 QRJGAENJMWJVLP-UHFFFAOYSA-N 370.405 2.305 30 40 FEEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(C)=O)CC4)[C@H]3C[C@@H]12 20612389 UIGGMXAEKSOOLI-GQUPQBGVSA-N 360.498 2.465 30 40 FEEB biogenic Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101305693 SOARKYOVDDPMDH-FZJVYVCZSA-N 350.465 2.006 30 40 FEEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)OCO3)cc1 46927116 SUHVAGLMGODDCW-UHFFFAOYSA-N 362.363 2.067 30 40 FEEB C[C@@H](NC(=O)c1cccs1)C(=O)NCCNc1cccc(F)c1C#N 47332493 JXLSTBDZDJAISU-LLVKDONJSA-N 360.414 2.105 30 40 FEEB COCc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 58188212 BTNNXEDKVJTHFF-UHFFFAOYSA-N 363.391 2.313 30 40 FEEB CC(C)OCCS(=O)(=O)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 80687697 VEFCBGLQFLHZDG-UHFFFAOYSA-N 371.890 2.088 30 40 FEEB C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2sccc2C)c1 9515268 HATSQWIOUXEBNJ-UHFFFAOYSA-N 362.476 2.240 30 40 FEEB COc1cc(/C=N/n2cnnc2)ccc1OCC(=O)Nc1ccccc1C 409008685 ZXOMJOVXMXCVLF-LSHDLFTRSA-N 365.393 2.495 30 40 FEEB N#Cc1cccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 190382961 DTQZTUROWABRJL-MRXNPFEDSA-N 374.443 2.064 30 40 FEEB CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(c2ncc(Cl)c(C)c2C#N)C1 1775956976 JQXOHCRRMJPJPE-RISCZKNCSA-N 358.833 2.419 30 40 FEEB N#Cc1nccnc1N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1776008963 TWZDQUVHDFZBPB-UHFFFAOYSA-N 350.304 2.205 30 40 FEEB CCOc1ccc(CC(=O)C2=C(NCCO)CCCC2=O)cc1OCC 100162207 SUBZKMWGLVDPET-UHFFFAOYSA-N 361.438 2.185 30 40 FEEB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(CC(=O)NCCC#N)c2ccccc21 106170989 NLOANMLWZPHKIA-UXLLHSPISA-N 356.470 2.313 30 40 FEEB N#CCN(C(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 13096959 MQNWBJNFCWCBOR-XYPWUTKMSA-N 354.406 2.482 30 40 FEEB N#Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408536977 UFCBKFSDJLCHRS-DUPGQFARSA-N 350.378 2.144 30 40 FEEB COc1ccc(-c2c[n+](CC(=O)Nc3nccs3)c3n2CCC3)cc1 13758440 QRFZAXLTXFSHJL-UHFFFAOYSA-O 355.443 2.493 30 40 FEEB N#C[C@H]1C(O)=NC(N2CCN(c3ccccn3)CC2)=NC12CCCCC2 18155300 LCCYJBVVTPSZCV-HNNXBMFYSA-N 352.442 2.372 30 40 FEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225637698 GULZMGUKVRZKRD-QRVBRYPASA-N 357.431 2.446 30 40 FEEB COc1ccc(CC(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 252552029 UMGRRLVKCVUQMZ-JCNLHEQBSA-N 366.421 2.406 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3CCNC(=O)CC2CC2)c1 575404910 VUIHPHUKIUZPIR-SFHVURJKSA-N 367.449 2.096 30 40 FEEB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3(C#N)CCCCC3)C2=O)cc1 5167862 CPCZLRHYIPLHKA-LJQANCHMSA-N 368.437 2.105 30 40 FEEB N#CC1(C(=O)N2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)CCCC1 1614940682 UJHHKNAPBMLCOY-MRXNPFEDSA-N 359.470 2.137 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccncc1 104232173 KAFJCRVCMYAPAS-IDTYTIONSA-N 357.435 2.126 30 40 FEEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 102509802 HQAADPIQQKFDMO-SFKKXYGYSA-N 353.334 2.474 30 40 FEEB C=CCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 12697122 KKJOJQPHZIZEMM-UHFFFAOYSA-N 356.753 2.021 30 40 FEEB CCOC(=O)C1=C(C)NC(=NC#N)N[C@@H]1c1ccc(Br)cc1 408731748 PNVGZACIEYXWNE-CYBMUJFWSA-N 363.215 2.357 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4ccc(CC)cc4)c(C)cn23)n(C)c1=O 4250593 JDMKUDNXZQIGHN-UHFFFAOYSA-N 363.421 2.195 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 101305534 AKJQTXLBCBVYOV-OVZRNVPMSA-N 352.481 2.397 30 40 FEEB CCCCCCCc1c(O)nc(SCCN2CCOCC2)[nH]c1=O 1813864 OZZIJTXTYXPEJY-UHFFFAOYSA-N 355.504 2.413 30 40 FEEB COc1cccc(/C(O)=N/S(=O)(=O)c2ccc(CNC(C)=O)s2)c1 58045166 NDHVFTVFVPMWQF-UHFFFAOYSA-N 368.436 2.086 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccc1C 408708692 KXJPVKYELMKGTP-UHFFFAOYSA-N 351.406 2.166 30 40 FEEB Cc1ccn(-c2ccc(N3CCN(Cc4ccc(C#N)cc4)CC3)nn2)n1 609287524 SKMAEQMXJRMSSD-UHFFFAOYSA-N 359.437 2.165 30 40 FEEB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCCCC1 5652188 QHIBYOSYLYNJLE-CYBMUJFWSA-N 356.455 2.486 30 40 FEEB N#Cc1nccnc1N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888890816 NGKVWBYOQVBEQR-IAGOWNOFSA-N 369.432 2.378 30 40 FEEB N#Cc1cc2c(nc1N1CC[C@H](COc3ccc(F)cn3)C1)CCOC2 1889091896 FJDQIFHNACALMD-ZDUSSCGKSA-N 354.385 2.465 30 40 FEEB Cc1ccc(/C=C/S(=O)(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)cc1 225805035 SWVYGUXYUMLWLY-AYAUWGRQSA-N 370.434 2.111 30 40 FEEB C=CCN(C(=O)[C@H]1CCCN1S(C)(=O)=O)c1nc2ccccc2s1 32788699 PFZGNIXSNKDELW-CYBMUJFWSA-N 365.480 2.239 30 40 FEEB C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 8476196 DKCGZVYDYJOVJD-UHFFFAOYSA-N 360.435 2.090 30 40 FEEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 5516621 KRUNUBNEDARZSE-PQKGRCELSA-N 374.434 2.222 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N\[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533677 KLDMCITWADYUPW-OVWVXVKOSA-N 355.394 2.154 30 40 FEEB COc1cc(CNC(=O)COc2ccccc2C#N)cc(OC)c1OC 9887890 YTRBAHXGQSTBTE-UHFFFAOYSA-N 356.378 2.279 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)NCc2ccc(F)cc2)C1 225489225 OUYFROCREPGIAT-HNNXBMFYSA-N 355.373 2.240 30 40 FEEB COC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C 226687509 RHHLAWWLAWQIHZ-UHFFFAOYSA-N 360.391 2.219 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 95915222 PQRXBMJGPZVPGK-LTUGMUNRSA-N 352.481 2.334 30 40 FEEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2cccnc2)c2ccccc21 1889222 VWSFWJCEKDKWPU-MSUUIHNZSA-N 363.373 2.135 30 40 FEEB N#Cc1ccc(N2C[C@H]3CCN(c4nccc(C(F)(F)F)n4)[C@H]3C2)nc1 1889084235 OPLSBLPRMMXRKO-OLZOCXBDSA-N 360.343 2.477 30 40 FEEB CSc1ncc(C#N)c(N2CCC[C@@H](COc3ncc(C)cn3)C2)n1 1889108840 IVCZTMYNDXKZCL-CYBMUJFWSA-N 356.455 2.464 30 40 FEEB Cc1nc(N2CCCN(c3ccc(C#N)nn3)CC2)cc(C(F)(F)F)n1 2086894069 QXKQELAQRDWSFB-UHFFFAOYSA-N 363.347 2.182 30 40 FEEB CCCCCn1c(=O)[nH]c2cc(/C(O)=N/C[C@@H]3CCCO3)ccc2c1=O 3906558 GQSPHZKXYGRTQK-AWEZNQCLSA-N 359.426 2.364 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(Cl)c2)n(C)c1=O 9156968 BECMAEJCOIBLMN-UHFFFAOYSA-N 371.828 2.196 30 40 FEEB C=CCNC(=O)c1cc2c(=O)n3ccccc3nc2n([C@H](C)CC)c1=N 100628104 GVDAMQNLMMESDZ-GFCCVEGCSA-N 351.410 2.015 30 40 FEEB CC(C)/C(O)=N/c1ccc2c([C@@H](C(=O)O)N3CCN(C=O)CC3)c[nH]c2c1 36353275 CWXRWNOQGMTIGN-KRWDZBQOSA-N 372.425 2.312 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)cc1 14482076 ZFKBJGMGHUSWFN-UHFFFAOYSA-N 363.421 2.007 30 40 FEEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 7890808 XPLLFJPQAHLXCF-LDADJPATSA-N 361.423 2.471 30 40 FEEB C=CCN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 8155521 FAMAPPUIBJNKKL-UHFFFAOYSA-N 356.403 2.050 30 40 FEEB COc1ccc(-c2c3c(=O)n(CCS)ccc3nc3nc(C)nn23)cc1 38828766 ZMPWLEYYFWMMMY-UHFFFAOYSA-N 367.434 2.353 30 40 FEEB COc1cccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)c1 102718966 TYVQNBVMZLINOZ-HVESIFNPSA-N 370.405 2.272 30 40 FEEB COc1cc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc(OC)c1O 20637997 HLLSCLCOOSGPMO-ZBEGNZNMSA-N 364.361 2.440 30 40 FEEB CCOC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 5009281 FLMMTLCGYMQQQH-UHFFFAOYSA-N 362.389 2.456 30 40 FEEB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(C#N)cc1 18094611 NCFZCISKTLSTDI-UHFFFAOYSA-N 365.389 2.430 30 40 FEEB COc1ccc(OC)c(/C(O)=N/S(=O)(=O)c2cn(C(C)C)cn2)c1 89490568 ZVRAZFTWAKNTNG-UHFFFAOYSA-N 353.400 2.175 30 40 FEEB COc1ccc(N2CCN(CC(=O)Nc3sccc3C#N)CC2)cc1 35604325 BUQSVPMLIPXYCL-UHFFFAOYSA-N 356.451 2.389 30 40 FEEB COc1ccc2oc(C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)cc2c1 225803716 PFFGGSPFFZPZJV-AWEZNQCLSA-N 364.361 2.397 30 40 FEEB N#Cc1nccnc1N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889084252 XTVVNJISAQRGDH-RISCZKNCSA-N 360.343 2.477 30 40 FEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(CN2CCOCC2)cs1 21128453 RMMHPDIIPJQYHY-CYBMUJFWSA-N 372.450 2.253 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 101316695 GCPMYUYAAISWPX-FDZCQIIBSA-N 352.481 2.431 30 40 FEEB N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc2ccccc2c1 58174778 QKCDFENAJPUHPB-UHFFFAOYSA-N 351.450 2.457 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 5490124 PJCZQMMZVJADLU-RGHHBTPQSA-N 356.444 2.227 30 40 FEEB COc1cc(/C=C2/S/C(=N/C(C)=O)NC2=O)ccc1OCCCC#N 4656229 MTDRPOZJKVRNKU-XNTDXEJSSA-N 359.407 2.484 30 40 FEEB C=CCc1cc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc(OC)c1OC 408901242 CMUUSZMISAHBDH-GXDHUFHOSA-N 372.446 2.245 30 40 FEEB COC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1cccs1 225132199 QCYKSBWQISNEKK-UHFFFAOYSA-N 350.421 2.182 30 40 FEEB CCN(CC)C(=O)Nc1nn(-c2ccc(OC)cc2)c(=O)c(C#N)c1C 5714989 WWNXOWYAMOSEEX-UHFFFAOYSA-N 355.398 2.295 30 40 FEEB C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCO2 5990416 MLVWZLZYQSGEPD-LBPRGKRZSA-N 368.345 2.236 30 40 FEEB C=CCN(CC=C)C(=O)CN(c1ccncc1)S(=O)(=O)c1ccccc1 32743414 PHJCBOSCXOCTTN-UHFFFAOYSA-N 371.462 2.478 30 40 FEEB N#Cc1c(SCc2nc3ccccc3[nH]2)sc2c(=O)[nH]c(=O)[nH]c12 4945741 JDPFOBAYJOJTNT-UHFFFAOYSA-N 355.404 2.318 30 40 FEEB CC(=O)N[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)C1CCCC1 58223336 ISGSHVRSFQAKJO-FQEVSTJZSA-N 368.481 2.292 30 40 FEEB COc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(CNC(C)=O)cc1 48491721 OQPQJOOJTSPQTK-UHFFFAOYSA-N 362.407 2.025 30 40 FEEB Fc1c(F)c(F)c(/C=N/NC(=S)NC[C@H]2CCCO2)c(F)c1F 5295011 XLZKKHQZHKANFU-VFXIPMJRSA-N 353.316 2.359 30 40 FEEB CCc1cccc(CC)c1N1/C(=N/C(C)=O)S[C@H]2CS(=O)(=O)C[C@H]21 6658496 CPRPPRMLCKNNJE-MPOGACDISA-N 366.508 2.433 30 40 FEEB CN(CCC#N)C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 72034796 BIENGLUCUHWLGK-UHFFFAOYSA-N 363.464 2.463 30 40 FEEB Cc1cc(C(=O)N2CC[C@@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)[nH]n1 96072603 JZCKDMUSXRFWNW-QFBILLFUSA-N 351.410 2.076 30 40 FEEB C/C(=N\CC(=O)CCN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 96341552 RUJWSOUWHXLCFU-UHFFFAOYSA-N 373.409 2.185 30 40 FEEB N/C(=N/Cc1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 95948290 RLEXXQLJBZDWRV-UHFFFAOYSA-N 370.428 2.234 30 40 FEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(O)c(Br)c1 101021036 GDDOPJBRRRNCHI-GEZPQTMTSA-N 361.195 2.296 30 40 FEEB N#Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c1 6315732 LBLJEKJYFKVJAN-UHFFFAOYSA-N 372.374 2.355 30 40 FEEB N#Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 14137534 AHJNWXAVUDIBHU-UHFFFAOYSA-N 366.396 2.094 30 40 FEEB N#Cc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 14159481 OETBLODZYXEELX-UHFFFAOYSA-N 355.463 2.206 30 40 FEEB N#Cc1c(COC(=O)Cn2nc(-c3ccccc3)oc2=O)cn2ccccc12 14853715 WWGAXDHQFZKRQI-UHFFFAOYSA-N 374.356 2.371 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)NCCc2ccccc2)C1 225488729 PADSHIXRMUMAGK-INIZCTEOSA-N 351.410 2.144 30 40 FEEB C=CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 408709559 UBARAHKMHLJOMQ-UHFFFAOYSA-N 351.406 2.166 30 40 FEEB N#Cc1cc([N+](=O)[O-])cnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 32829670 UCLXEOLXMAEAJC-UHFFFAOYSA-N 369.356 2.353 30 40 FEEB COc1ccc(NC(=O)Cn2cc(NC(=O)C3(C#N)CC(C)C3)cn2)cc1 79098867 NTOOVMAOUGESSE-UHFFFAOYSA-N 367.409 2.409 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(F)cc3)C2=O)c1 408529889 DJAPMUKSVUIUDR-HNNXBMFYSA-N 355.325 2.436 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 226668975 RLGVJTSLMWJIQA-VNFHURFUSA-N 351.362 2.290 30 40 FEEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)[C@H]1CCCO1)C2 585107492 XPMWICVPXWRFQB-UTKZUKDTSA-N 364.449 2.485 30 40 FEEB C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 58193150 UNEFCEAMLFEMHG-GFCCVEGCSA-N 369.874 2.139 30 40 FEEB Cc1c(OCC(N)=O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 6167241 KTEATYUDZRIGPZ-APSNUPSMSA-N 353.330 2.204 30 40 FEEB biogenic C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 13801234 LZLIOJWOCCZHBC-QLFBSQMISA-N 365.437 2.153 30 40 FEEB N#Cc1ccccc1COc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1 66904935 IFQIDQIKHXAELO-SFHVURJKSA-N 356.447 2.414 30 40 FEEB C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1 7701201 SGCBDDIYCOHZFT-ZDUSSCGKSA-N 353.407 2.178 30 40 FEEB CCN1C[C@H](CN(C)S(=O)(=O)c2cccc(C#N)c2)Oc2ccccc21 7726468 HTSPUJNJHSBNKG-INIZCTEOSA-N 371.462 2.466 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 32504625 JIOBYJAFRVSKGL-PTTFWAKNSA-N 370.471 2.473 30 40 FEEB N#Cc1cccnc1N1C[C@@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@H]2C1 2086968389 PXGHJTSGZQRKBZ-QZTJIDSGSA-N 356.433 2.281 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@@H]1c1ccccc1 102485660 BNQCZYKCNNCXTP-GHNGSUTGSA-N 365.433 2.455 30 40 FEEB Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 58193618 LZPVRWFNPDGEQE-UHFFFAOYSA-N 373.434 2.043 30 40 FEEB COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc(Cl)c1O 100301797 DOAZLJJZTAJMSX-YWMOSIGRSA-N 372.808 2.441 30 40 FEEB O=C(C1=C(O)C(=O)N(CCOCCO)[C@H]1c1ccccc1)c1cccs1 9358361 OCPJOLJXYBZRRY-INIZCTEOSA-N 373.430 2.335 30 40 FEEB COC(=O)CCCN(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 56010981 PAJMKMYJFMFVKD-UHFFFAOYSA-N 364.345 2.151 30 40 FEEB CCOCCC/N=C(/S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13556528 BPKXDBCTGXIROR-UHFFFAOYSA-N 365.499 2.245 30 40 FEEB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cccc(C#N)c5)C[C@@H]4C3)n1)CCC2 2086992562 SMKJURVBZRERQH-ROUUACIJSA-N 373.460 2.354 30 40 FEEB COc1ccccc1-c1cnn2c(N3CCN(CC#N)CC3)cc(C)nc12 20566246 QZISYKRRDLMXOU-UHFFFAOYSA-N 362.437 2.359 30 40 FEEB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCC#Cc2ccccc2)no1 32899010 JVTZYPAEXGDTQW-CQSZACIVSA-N 357.435 2.211 30 40 FEEB NS(=O)(=O)c1ccc(N/N=C/c2ccc(Cl)cc2)c([N+](=O)[O-])c1 4863759 FJDONHWUTBHDHS-LZYBPNLTSA-N 354.775 2.342 30 40 FEEB Cc1oc(NC(=O)CN2CCC(N(C)c3cccnn3)CC2)c(C#N)c1C 84061156 OTWZQWJFGSXLCB-UHFFFAOYSA-N 368.441 2.097 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 36638677 OHIXNIFYWWSXSB-ZEJQKACQSA-N 352.481 2.334 30 40 FEEB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 32904748 RCPAHKXGDUTPJN-CQSZACIVSA-N 369.446 2.470 30 40 FEEB CCCCN1C(=O)[C@](O)(c2c(C)nn(CCC#N)c2N)c2ccccc21 6848492 DKKKQFAJVUGDKS-LJQANCHMSA-N 353.426 2.070 30 40 FEEB Cc1cccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1C 101310692 PYWBTLKBGTUJMS-YTRIFDNDSA-N 364.492 2.315 30 40 FEEB C=CCOc1c(Br)cc(CNCCNC[C@H](C)O)cc1OC 22076666 YYHJOBCKFLQTJL-LBPRGKRZSA-N 373.291 2.083 30 40 FEEB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O 3462440 IYMGYFSFQDAJCI-FQEVSTJZSA-N 362.389 2.354 30 40 FEEB COc1cc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc(OC)c1O 20637993 HLLSCLCOOSGPMO-MEDUHNTESA-N 364.361 2.440 30 40 FEEB CN(C)S(=O)(=O)c1cccc(N/C(S)=N/CCc2ccccn2)c1 13638296 IXVKBHRZQBBKLE-UHFFFAOYSA-N 364.496 2.272 30 40 FEEB C/C(=N\N=C1\NC(=O)[C@H](CC(=O)O)S1)c1ccc(Br)cc1 4709246 BTWUVWNJCQXANQ-NPVNMOQSSA-N 370.228 2.235 30 40 FEEB Cc1nc2ccc(I)cn2c1/C=N/NCCC#N 9086700 ZWASQCVQJSWNAG-FRKPEAEDSA-N 353.167 2.085 30 40 FEEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408535989 PJLNUYKQZOZXKJ-YXAMBPQSSA-N 355.394 2.281 30 40 FEEB Cc1ccc(N2C(=O)[C@H](/C=N/c3cccc(O)c3)C(=O)NC2=S)cc1 408758451 KDWTVLPVZPBSCU-GDXCHIGESA-N 353.403 2.467 30 40 FEEB C=CCN1C(=O)/C(=C/c2c(OC)cc(OC)cc2OC)C(O)=NC1=S 1197492 APWBYSWFASZLAA-FMIVXFBMSA-N 362.407 2.365 30 40 FEEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2noc3c2CCCC3)CC1 239612063 FJAAWRUMGLGTKK-JOCQHMNTSA-N 367.409 2.335 30 40 FEEB N#Cc1cccnc1N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888842869 UASSEYCJTPECMP-STQMWFEESA-N 360.343 2.335 30 40 FEEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCO)cc1 102800766 SZFCHRNKSOANMP-GHNGSUTGSA-N 367.401 2.499 30 40 FEEB C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 6430342 NYBMYPSGTAGMKV-UHFFFAOYSA-N 352.456 2.176 30 40 FEEB C=CCNC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(F)cc23)C1=O 36596531 BPZYUOAKQFOBBQ-MRXNPFEDSA-N 372.400 2.057 30 40 FEEB CCN(Cc1ccc(Br)s1)C(=O)Cn1cnc(C#N)n1 14143990 MQOCFFWMOHLCEB-UHFFFAOYSA-N 354.233 2.022 30 40 FEEB C#CCOc1c(Br)cc([C@@H]2N[C@@H](C(=O)O)CS2)cc1OC 408814701 HLXJBMMQOCTOTJ-ZWNOBZJWSA-N 372.240 2.258 30 40 FEEB COc1cc(CNC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)ccn1 1776007679 SXWPWEBVNPFOMT-CQSZACIVSA-N 361.251 2.468 30 40 FEEB CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccco1 10331053 JJCFMFFKTSBIMI-AWEZNQCLSA-N 360.801 2.162 30 40 FEEB C/C(O)=N/c1nc(S(=O)(=O)Cc2ccc(Br)cc2)n[nH]1 33114968 BXGBCLHAKDIDEC-UHFFFAOYSA-N 359.205 2.149 30 40 FEEB COc1cccc(C(=O)O/N=C2\CCS(=O)(=O)c3sccc32)c1 1393076 OVEGCBXVFMSVCJ-DTQAZKPQSA-N 351.405 2.495 30 40 FEEB OC(Cc1cccc(/C=N/N2CCOCC2)n1)(C(F)(F)F)C(F)(F)F 1614934 NAWRGZYZMYBKPF-ZVBGSRNCSA-N 371.281 2.146 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccn1 4041240 QGRYBEQHRKJXKT-GHNGSUTGSA-N 365.433 2.455 30 40 FEEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(OCC)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908898 XQFSBGIWVHRTNS-SYNHAJSKSA-N 372.421 2.298 30 40 FEEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccccc2OC)s1 8739294 OIPKQUIDXYKLER-UHFFFAOYSA-N 371.440 2.397 30 40 FEEB COc1ccccc1CNC1=C(NC(C)=O)C(=O)c2ccccc2C1=O 20135101 TYEKZCPMEASCIA-UHFFFAOYSA-N 350.374 2.212 30 40 FEEB COc1ccc(Cl)cc1/C(O)=N/S(=O)(=O)c1ccc(C(N)=O)cc1 48509932 CEEJIYREWQVMLW-UHFFFAOYSA-N 368.798 2.141 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)CNC(=O)Cc1cccc(F)c1 56403911 YCZSJNBBONOBMO-UHFFFAOYSA-N 369.396 2.039 30 40 FEEB Cc1cc(=O)oc(C)c1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 89568499 ARLLUAZICRGXOW-HNNXBMFYSA-N 352.346 2.091 30 40 FEEB C=CCN1Cc2sc(C(=O)NCC)nc2-c2ccccc2S1(=O)=O 306125192 CIOOHOFCHLCMJM-UHFFFAOYSA-N 363.464 2.250 30 40 FEEB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2C#N)ccc1O 3233059 REIYSBXRBRLBHP-VQHVLOKHSA-N 352.346 2.468 30 40 FEEB O=C1/C(=C2\Nc3cc4c(cc3C2=O)OCO4)Nc2cc3c(cc21)OCO3 104080350 HHRYTMIXAJNJKY-FOCLMDBBSA-N 350.286 2.272 30 40 FEEB Cc1c(C#N)c(NC(=O)Cn2cnc(C#N)n2)n(-c2cccc(F)c2)c1C 14144355 AXRXTCKROLHKMV-UHFFFAOYSA-N 363.356 2.207 30 40 FEEB C=CCCC(=O)N1C[C@]2(F)CN(Cc3cccc(OC)c3)C(=O)[C@]2(F)C1 306135310 ONFLFZKNSKLFSL-RTBURBONSA-N 364.392 2.262 30 40 FEEB COC(=O)c1cc2c(nc1C)CCN(C(=O)Cc1ccc(C#N)cc1)CC2 1565549774 CGEAZDBMJGUCEH-UHFFFAOYSA-N 363.417 2.218 30 40 FEEB CC(C)c1nnc(/N=C(\O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)s1 30647258 IBFAHUBBLYFJKJ-GFCCVEGCSA-N 358.427 2.370 30 40 FEEB C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 22406733 UZXTZNIHRAFQRU-DZGCQCFKSA-N 366.483 2.468 30 40 FEEB COc1cc(/C=N/Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc(OC)c1O 4158760 PFVORVDSPBMVQS-VXLYETTFSA-N 367.365 2.001 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n(C4CCCC4)c(C)c(C)n23)n(C)c1=O 5252179 DAKBJHWITALIMC-UHFFFAOYSA-N 355.442 2.457 30 40 FEEB COc1ccc(C(=O)NCC#CCN2CCc3ccccc3C2)c(OC)c1 75164998 RPKPGNFUVXRHFZ-UHFFFAOYSA-N 364.445 2.495 30 40 FEEB N#Cc1cc2c(N)c(C(=O)NC3=N[C@H]4C=CC=C[C@@H]4S3)sc2nc1N 39398396 GHSVPJJJQSKDKM-UWVGGRQHSA-N 368.447 2.028 30 40 FEEB COc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OC)c1OC 254393495 YEBCLTBTMZNLAX-UHFFFAOYSA-N 355.350 2.010 30 40 FEEB C=CC(=O)N1CCC(C(=O)Nc2n[nH]c(C)c2C#N)(c2ccccc2)CC1 1300945693 STMQZJCXTXCXSM-UHFFFAOYSA-N 363.421 2.275 30 40 FEEB N#CC1(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCc2ccncc2)CCCC1 585108853 WNTGXHOLLHKUEX-BZSNNMDCSA-N 355.438 2.441 30 40 FEEB CCN(CC)CCO[C@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 76093872 UNADFJPUARLGJV-IBGZPJMESA-N 358.486 2.320 30 40 FEEB COc1ccc(/C=N\N2CCN(c3ccccn3)CC2)c(OC)c1OC 16677839 KRCPBMPOEZLYRW-STZFKDTASA-N 356.426 2.264 30 40 FEEB Cc1nc(N2CCC[C@H](NS(=O)(=O)C3CC3)C2)c(C#N)c(C)c1Cl 1889115711 PUABKPYDDIWRLE-LBPRGKRZSA-N 368.890 2.274 30 40 FEEB C=CCNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908025 ZQUIIWFXFPDZOZ-QGZVFWFLSA-N 369.490 2.266 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 101300351 CEACFUDOXMKWEQ-BREGNPSQSA-N 356.444 2.227 30 40 FEEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)[C@H]1CC(=O)Nc2ccccc21 48506158 ZRYZNGLSCILMCS-HNNXBMFYSA-N 369.402 2.471 30 40 FEEB CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)c1ccc([S@@](C)=O)cc1 48677116 YHTSOCNYUUSHGD-QHCPKHFHSA-N 366.464 2.105 30 40 FEEB Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 66937648 BAMUMOZORRXMSG-UHFFFAOYSA-N 356.451 2.209 30 40 FEEB COC[C@@H](C)n1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)c1C 7534883 CQPMKMQDBFKFKO-GFCCVEGCSA-N 372.381 2.137 30 40 FEEB COc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408531356 GTUXORVWTCWQTM-NSHDSACASA-N 355.325 2.436 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@]1(C=O)NC(=O)OC(C)(C)C 218671521 AAMZJKGABLTRPA-CPUCHLNUSA-N 371.430 2.189 30 40 FEEB CN(C)c1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 225504626 JIZUOYSFNTYNDG-MRXNPFEDSA-N 351.410 2.098 30 40 FEEB Cn1cccc1C(=O)N1CC[C@@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1 96218923 FZJQNVRSNWDUOZ-YLJYHZDGSA-N 350.422 2.382 30 40 FEEB CCCCCCCCCN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 97992553 UNAZEDOUVXWZPH-UHFFFAOYSA-N 374.489 2.380 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(CC[C@@H](CNC(=O)CC4CC4)CO3)C2)c1 575405312 RZVIDLSYEUMGJR-KRWDZBQOSA-N 367.449 2.096 30 40 FEEB C=C1[C@H]2C[C@@]3([C@@H]4C[C@H]5[C@]6([C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]46)[C@@H]3CC2=O)[C@@H]1O 584567076 CBOSLVQFGANWTL-LXVJFFRDSA-N 357.494 2.000 30 40 FEEB NC(=S)N/N=C1/CCC[C@@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl 17222896 RJBNNYJHGGOJCR-LIMYWZOWSA-N 356.172 2.370 30 40 FEEB C=CCNC(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C 21603213 XJNAMIMUWFSGEU-RISCZKNCSA-N 360.439 2.110 30 40 FEEB CCN(CC(=O)Nc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 25500565 QLZWVKXHYVXISW-UHFFFAOYSA-N 361.405 2.255 30 40 FEEB C=CCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 6761183 WDOLJVCFURATFG-UHFFFAOYSA-N 362.426 2.319 30 40 FEEB CCCOc1ccc(/C=C2\Nc3c(c(=O)n(C)c(=O)n3CCC)C2=O)cc1 7713300 ANQMEMDGHADXPR-QINSGFPZSA-N 369.421 2.395 30 40 FEEB C=CCNC(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F 58294226 YMWYPVHNAJRKKX-UHFFFAOYSA-N 357.361 2.297 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1C(=O)NCC(F)(F)F 11701732 VVZATDBFPXTWOX-INIZCTEOSA-N 370.375 2.445 30 40 FEEB COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc(Cl)c1O 226662013 DOAZLJJZTAJMSX-ZIZOFFFFSA-N 372.808 2.441 30 40 FEEB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(Cc2ccc(F)c(C#N)c2)C1 583619032 WNXUQCOFVLNXEW-ZBFHGGJFSA-N 352.373 2.097 30 40 FEEB O=C1C(=O)N(CCO)[C@H](c2cccnc2)/C1=C(\O)c1ccc(Cl)cc1 102806352 YAPXKHHEXYNNEM-DPEHCCBOSA-N 358.781 2.149 30 40 FEEB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)cc1 3332170 IEVWCVJKDFEFRU-VIFPVBQESA-N 356.411 2.008 30 40 FEEB COCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C#N)c1)CC2 108532481 QQXWBEIINMYELS-UHFFFAOYSA-N 355.438 2.049 30 40 FEEB COC(=O)c1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1 5182918 IGXOLEAQPQSPJB-UHFFFAOYSA-N 362.389 2.375 30 40 FEEB Cc1nnc(S)n1/N=C/c1ccc(OCC#N)c(Br)c1 408863375 RPZWOGAVNIYHNA-VIZOYTHASA-N 352.217 2.422 30 40 FEEB N/C(=N\C[C@H]1CCCO1)SCc1nc2sc3c(c2c(=O)[nH]1)CCC3 7286349 CMLSNRPIIBGIMF-SECBINFHSA-N 364.496 2.200 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/Cc3ccccc3)C2=O)c1 408536600 SEZUHCBTVXAQHG-DORSJAEJSA-N 351.362 2.165 30 40 FEEB C=CCSc1nnc(NS(=O)(=O)c2cccc(C(=O)OC)c2)s1 223198421 VGJUHZRBGUJJDS-UHFFFAOYSA-N 371.465 2.404 30 40 FEEB Cc1nnc(SCCC(=O)Nc2nnc(SCC#N)s2)s1 80338725 DAHKUFOJVJSICG-UHFFFAOYSA-N 358.499 2.435 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](COc3ccncc3)C2)cc1 1775971016 LQFJEBROAMWWLO-MRXNPFEDSA-N 357.435 2.433 30 40 FEEB N#Cc1cccnc1N1C[C@@H]2CN(c3ncc(Br)cn3)C[C@H]2C1 2086861241 XQELBLILMCCFDU-CHWSQXEVSA-N 371.242 2.078 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 6654484 RQRARGQZSKSOBY-UHFFFAOYSA-N 352.803 2.494 30 40 FEEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)C1CC1 101300963 JJTZOTSSFWENJK-BREGNPSQSA-N 370.883 2.351 30 40 FEEB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)n1 44654310 OBVCIECVAMOTAL-LBPRGKRZSA-N 369.469 2.062 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 101312361 DOBCAZWFPRDXNS-BKJYESAMSA-N 352.481 2.397 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3F)C2=O)cc1 408535700 OMFGOZRTXDWNHY-ZDUSSCGKSA-N 355.325 2.436 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1 32507495 MECVTFMOZDTJFM-ZFHNCLSMSA-N 362.835 2.100 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCNC(=O)CC2CC2)c1 575404907 VUIHPHUKIUZPIR-GOSISDBHSA-N 367.449 2.096 30 40 FEEB COc1ccc(OC)c(/C=N/Nc2cnnc(O)c2Br)c1 31858791 JCSNMQTZYSXSDZ-GIDUJCDVSA-N 353.176 2.408 30 40 FEEB N#Cc1c(CCCNC(=O)c2ccoc2)nn(-c2ccc(F)cc2)c1N 25163592 OKNNJOLLRAXHMJ-UHFFFAOYSA-N 353.357 2.421 30 40 FEEB C=CCNC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 2691555 KLOLOZPZSSQVFE-NTEUORMPSA-N 362.407 2.042 30 40 FEEB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 12974794 MPRYDFBZHMTIAU-OAHLLOKOSA-N 372.469 2.297 30 40 FEEB COc1ccc(S(=O)(=O)N2CC(Nc3cccc(F)c3C#N)C2)cc1 95443225 MZOMIFQSQUFREA-UHFFFAOYSA-N 361.398 2.191 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 5489611 CVCNKGUARBFDBW-XJFZTKQQSA-N 352.481 2.315 30 40 FEEB C=CCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408588516 GMBPXIXTYVGLIF-CQSZACIVSA-N 366.483 2.367 30 40 FEEB N#CC1(c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)CC1 223028057 WOWXKBWJBTUOGO-UHFFFAOYSA-N 355.375 2.477 30 40 FEEB CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)Cc1ccccc1 226079879 WMACHMHURAPPOH-UHFFFAOYSA-N 357.435 2.153 30 40 FEEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(O)C1)C2 585107202 RJPPSIFFGSAOJQ-BUNACBEFSA-N 364.449 2.077 30 40 FEEB CN(CCC#N)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 75567950 YBQSIMWUJFLAFW-UHFFFAOYSA-N 352.416 2.119 30 40 FEEB NS(=O)(=O)c1ccc(N/N=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 4948186 NNCYMXNSPTYQKZ-LZYBPNLTSA-N 354.775 2.342 30 40 FEEB Cc1nc2ccccc2c(=O)n1CC1CCN(c2nccnc2C#N)CC1 1888879239 BPHVKINXEUVXKI-UHFFFAOYSA-N 360.421 2.283 30 40 FEEB C=CCOc1ccc(C(=O)N2CCO[C@@H](c3noc(C)n3)C2)cc1OC 95468229 XLSDNUOVEDKLBB-MRXNPFEDSA-N 359.382 2.165 30 40 FEEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 5341864 UMXBNQAFWFFVOQ-RGHHBTPQSA-N 356.444 2.083 30 40 FEEB NC1=N[C@]2(N/C(=N\c3cccc(C(F)(F)F)c3)N1)C(=O)Nc1ccccc12 19328691 BXRZULLHCUVRAO-MRXNPFEDSA-N 374.326 2.006 30 40 FEEB COc1cc(/C=N\Nc2ccccc2)ccc1OCC(=O)N1CCOCC1 409014430 PRKQTUPZXQGBNT-STZFKDTASA-N 369.421 2.379 30 40 FEEB CC(C)c1nc([C@H]2CN(C(=O)c3ccc(C#N)cn3)C[C@@H]2C2CC2)n[nH]1 685941492 CYRUBAVSLNENQL-CABCVRRESA-N 350.426 2.461 30 40 FEEB C/C(=N\Nc1nc2sc3c(c2c2ncnn12)CC(C)(C)OC3)C(=O)O 13477120 PPQSUKQZFBNEQM-FBCYGCLPSA-N 360.399 2.063 30 40 FEEB O=C(Cc1ccccc1)NCC/C(O)=N/c1nc(-c2ccccn2)n[nH]1 40116269 AERQYLBFLAAGDA-UHFFFAOYSA-N 350.382 2.204 30 40 FEEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COc2ncccc2F)c1 306129878 IPIIFYYTUUJPPG-MRXNPFEDSA-N 367.380 2.402 30 40 FEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)CO)cc1 218104803 GULZMGUKVRZKRD-CEXWTWQISA-N 357.431 2.446 30 40 FEEB Cc1ccc(CN(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 224808849 VZHINLNGWDZFBT-UHFFFAOYSA-N 371.462 2.461 30 40 FEEB COc1cc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc(Cl)c1O 226662020 DOAZLJJZTAJMSX-CJIPCJKWSA-N 372.808 2.441 30 40 FEEB Cn1cc(-c2cncc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2)cn1 2087146139 KANVPKDURDNHHH-UHFFFAOYSA-N 359.437 2.071 30 40 FEEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1OCC)CC(=O)N2 4944316 XCUHGDKAKMPRBG-LBPRGKRZSA-N 355.419 2.368 30 40 FEEB C=C1C(=O)O[C@@H]2/C=C(\C)[C@H]3C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 104215105 UEFXHAIMDIUNBV-DRCJWTCISA-N 362.422 2.221 30 40 FEEB CC(C)[C@@H](NC(=O)c1ccccc1)/C(O)=N/S(=O)(=O)c1cccnc1 48531655 XXOSBMPAZOCCDG-OAHLLOKOSA-N 361.423 2.181 30 40 FEEB COc1cc(/C=N/OCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1OC(F)F 6048716 XALZXPDPTCOXQP-ONOISBGZSA-N 372.368 2.283 30 40 FEEB Cn1c([C@H](C#N)C(=O)CN2C(=O)c3ccccc3C2=O)nc2ccccc21 5072667 UABOUBKJYCZAGR-CQSZACIVSA-N 358.357 2.046 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(F)c1 32507494 MECVTFMOZDTJFM-HPJJITKJSA-N 362.835 2.100 30 40 FEEB CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2cccc(C#N)c2)nn1 216757863 PUYHIOHPDHHQCE-IBGZPJMESA-N 358.405 2.419 30 40 FEEB COc1cc(/C=C/C(=O)O[C@@H](C(N)=O)c2ccccc2)ccc1OCC#N 14712365 BKYOQZNZPYUOIV-LHUXKHBRSA-N 366.373 2.381 30 40 FEEB C=CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C 4057665 RTSRRSYBTPIYRS-UHFFFAOYSA-N 369.450 2.130 30 40 FEEB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)NC(=O)N1 12417441 LMVWGNJWHJDTLA-OAHLLOKOSA-N 354.337 2.490 30 40 FEEB N/C(=N\c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 19368515 XPNQUVNMEOCANK-CQSZACIVSA-N 369.402 2.396 30 40 FEEB biogenic C/C=C/c1ccc(OC[C@@H](O)Cn2nc(C)c(C)c(C#N)c2=O)c(OC)c1 28915686 DWUHQMWGMKUPRP-JFDDCEBESA-N 369.421 2.213 30 40 FEEB C[C@@H](c1ccccc1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 25617681 VNWIXDYJRBVUHG-HNNXBMFYSA-N 371.462 2.398 30 40 FEEB COc1ccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 4690228 YURSBEVUARRCNH-UHFFFAOYSA-N 359.338 2.284 30 40 FEEB Cc1nn(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(=O)c(C#N)c1C 7385311 QUQFPHWKVIOCOV-HNNXBMFYSA-N 364.449 2.488 30 40 FEEB Cc1cccc2cc(C#N)c(NCCNC(=S)NC[C@H]3CCCO3)nc12 35290870 MWCMSOPDVQVFFZ-MRXNPFEDSA-N 369.494 2.470 30 40 FEEB CCOC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c1csc(N)n1 255975209 GVGJDTAQZPCVCX-UHFFFAOYSA-N 357.432 2.129 30 40 FEEB COc1cc(/C=N/NC2=NC(=O)CS2)ccc1OC(=O)c1ccccc1 20034876 AOBGHRBJKJNCIE-VXLYETTFSA-N 369.402 2.467 30 40 FEEB C=CCn1c(O)c(C(=O)NCC[N+](C)(CC)CC)c(=O)c2ccccc21 6821535 MFRMNHJXPDZNQB-UHFFFAOYSA-O 358.462 2.109 30 40 FEEB C=CCN(CC=C)C(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 9741325 CUKWECKDESHVHP-OAQYLSRUSA-N 367.449 2.361 30 40 FEEB O=C(C[n+]1ccc(C(=O)NCc2ccccc2)cc1)NCc1ccccc1 21658133 OAWFWEQKZSJOQD-UHFFFAOYSA-O 360.437 2.221 30 40 FEEB Cc1nnc([C@@H](C)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 48275669 NIOXPBRCNSYUDM-LLVKDONJSA-N 354.370 2.381 30 40 FEEB C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 56140094 KZEGELHKEHLUPV-HNNXBMFYSA-N 357.497 2.174 30 40 FEEB NC(=O)C(/N=N\c1ccccc1C(=O)O)=N/Nc1ccccc1C(=O)O 104226507 OHRQBJCZZMUBPL-PYKWNVJZSA-N 355.310 2.078 30 40 FEEB CCc1c(C)sc(N[C@@](NC(C)=O)(C(=O)OC)C(F)(F)F)c1C#N 2337680 HXBXSQSAZNYHCQ-ZDUSSCGKSA-N 363.361 2.470 30 40 FEEB Cc1cc(C(F)(F)F)n2ncc(/C(N)=N/OC(=O)c3ccco3)c2n1 13644958 HESPPSBGFNOLFN-UHFFFAOYSA-N 353.260 2.127 30 40 FEEB N#CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 4724079 RGIZWEJLZIKWOT-FOWTUZBSSA-N 363.398 2.420 30 40 FEEB N#Cc1cccc(-c2c[nH]c(CNC(=O)c3n[nH]c(=O)c4ccccc34)n2)c1 89866704 MYECFSKELNHJJC-UHFFFAOYSA-N 370.372 2.115 30 40 FEEB C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1[N@@+]([O-])(CC)C5)[C@@H]3CC2=O 252695305 YAFVVJNTIALWDB-YNGRXOSZSA-N 373.493 2.013 30 40 FEEB biogenic C=C[C@@H](C)n1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(C)cn23)n(C)c1=O 5076213 LIKKWKJAMPQUDI-LLVKDONJSA-N 367.384 2.333 30 40 FEEB O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1/N=C/c1ccc[nH]1 1611029 GRMWTZZEPUMKNU-ODCIPOBUSA-N 350.300 2.243 30 40 FEEB N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccccn2)[nH]c1=O 5095380 UUJRMOHBTXDXMU-UHFFFAOYSA-N 363.402 2.434 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 5375669 YFFFKJDGVICJRS-QPRSIOOTSA-N 352.481 2.315 30 40 FEEB COc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1OC 7424985 PSWMQKOCNXUHSL-UHFFFAOYSA-N 350.378 2.297 30 40 FEEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCOCC2)cc1 12515196 MKEBBNPWEYTHRS-UHFFFAOYSA-N 368.437 2.245 30 40 FEEB C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 15359023 NBXSYHKIULCKDV-LBPRGKRZSA-N 364.448 2.001 30 40 FEEB C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1 36480296 ICTRXFNTLTUTGI-JXFKEZNVSA-N 355.438 2.403 30 40 FEEB C[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C 83862119 QOORDKBFKYMFAT-NRWOIDKPSA-N 370.449 2.325 30 40 FEEB CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CC1CCNCC1 100163134 OFBDSRCZEUECEQ-FYJGNVAPSA-N 371.441 2.445 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C\c1cc2c(cc1Cl)OCO2 100237268 JTXWSZAFELZYOI-BUEKCFDUSA-N 370.792 2.456 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 101302464 YOXNFYGTYFAVEN-BPEGEEEXSA-N 352.481 2.431 30 40 FEEB C#CCN1C(=O)S/C(=C\c2cn(CC(N)=O)c3c(CC)cccc23)C1=O 409124692 BIIVLQZVBXAWRX-DHDCSXOGSA-N 367.430 2.359 30 40 FEEB C=CCc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc(OC)c1O 106752235 JCECWRSLVWUGAH-JYRVWZFOSA-N 363.391 2.339 30 40 FEEB N#Cc1nc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[nH]c1C#N 12544335 FOTYAQRIKYKRRQ-UHFFFAOYSA-N 365.353 2.304 30 40 FEEB CC(C)[C@@](C)(C#N)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3535355 OWPOCWOAQQTAKV-GOSISDBHSA-N 357.435 2.403 30 40 FEEB O=C(C[C@@H]1S/C(=N\C[C@@H]2CCCO2)NC1=O)Nc1ccc(F)cc1F 6671675 GEGBUWNTZKYGRS-GWCFXTLKSA-N 369.393 2.060 30 40 FEEB COc1cc(OC)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Cl 408586893 CVXCNQFYEUMZGH-XWCOTEGTSA-N 360.797 2.498 30 40 FEEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 4857912 LZLIOJWOCCZHBC-RBSFLKMASA-N 365.437 2.153 30 40 FEEB CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 18199484 DTFLXCQGJIWIBE-CYBMUJFWSA-N 355.419 2.350 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(F)cc3)C2=O)cc1 408535418 OAQZROPKWLJJID-HNNXBMFYSA-N 355.325 2.436 30 40 FEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc([N+](=O)[O-])cc1 408741757 RXDFJMOLCHVLGY-XKYMITNMSA-N 368.374 2.361 30 40 FEEB COC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)cc1 224688139 NJVLEUIAENLDON-UHFFFAOYSA-N 358.419 2.429 30 40 FEEB CN(C)c1nc(-c2cnn(C)c2)nc2c1CN(Cc1cccc(C#N)c1)CC2 96254068 HWFLVYSZWFEYJN-UHFFFAOYSA-N 373.464 2.373 30 40 FEEB O=C1Oc2ccccc2C(=O)/C1=C/NC(=S)NCCc1ccccc1 16958337 BUGUKQMPICETQB-QINSGFPZSA-N 352.415 2.379 30 40 FEEB CN1C(=O)C(C(=O)/C=C/c2c(Cl)cccc2Cl)C(=O)N(C)C1=O 103483267 WJUWLSCVZBKFEN-VOTSOKGWSA-N 355.177 2.242 30 40 FEEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccnc1)c1ccco1 795072 BAFMZRSIUKAOJC-CJNGLKHVSA-N 354.362 2.432 30 40 FEEB COCCCNC(=O)Cn1cc(C#N)c2cc(Br)ccc21 59109378 BTEMSSOMKMCHCX-UHFFFAOYSA-N 350.216 2.428 30 40 FEEB CC(=O)N1C(=O)/C(=N\N=c2\sc3ccccc3n2C)c2ccccc21 3254984 ZSVMAAPCOBNGNS-SOFGQGLPSA-N 350.403 2.438 30 40 FEEB C=C(C)CNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3310343 BDPFJJFMFBRFJV-UHFFFAOYSA-N 363.468 2.140 30 40 FEEB CN1CCN(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CC1 7105390 CLTDJGPTIVVWGG-UHFFFAOYSA-N 350.422 2.328 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 225490787 HLOHZWSWNHCINE-RCLKMUNOSA-N 370.434 2.192 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 101302478 YOXNFYGTYFAVEN-LKGOISKRSA-N 352.481 2.431 30 40 FEEB O=C(C1=C(O)C(=O)N(CCOCCO)[C@@H]1c1cccs1)c1ccccc1 6446283 JKLJWEIFZIETNI-MRXNPFEDSA-N 373.430 2.335 30 40 FEEB CN(CC(=O)Oc1cccc(Cl)c1)S(=O)(=O)c1ccccc1C#N 29461356 DNWDNAJNUZFRTC-UHFFFAOYSA-N 364.810 2.438 30 40 FEEB COc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408535987 PJLNUYKQZOZXKJ-RKLWJJNISA-N 355.394 2.281 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 36638536 WZYARDGPBBDMMD-PAQRIORXSA-N 370.471 2.473 30 40 FEEB Cc1cccc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1 70462163 QDTVGVCAFMJPII-UHFFFAOYSA-N 350.422 2.177 30 40 FEEB CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN(CCO)CCO)CC[C@H]21 102806797 UTGGCPQMMNZKJB-KAGYGMCKSA-N 373.493 2.374 30 40 FEEB C=CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccnc3)nc21 36617248 HLWOERQEMXKSRJ-UHFFFAOYSA-N 354.391 2.489 30 40 FEEB C#CCOc1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1 89756799 UQNKSOCWDXEHAD-SFHVURJKSA-N 353.422 2.018 30 40 FEEB COc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)c(OC)c1OC 3219509 UIXIAVIASFNOBF-UHFFFAOYSA-N 370.361 2.380 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2)n(C)c1=O 4249196 WCSZNYILTYJZKC-AWEZNQCLSA-N 365.437 2.261 30 40 FEEB C=CCN1CCOC[C@]2(C1)CN(C(=O)c1cccc(Cl)c1)CCO2 2055815449 TXPNFCYUIKZGTH-SFHVURJKSA-N 350.846 2.069 30 40 FEEB N#Cc1ccc(OCCOc2ccccc2C(=O)N2CCOCC2)cc1 32883588 DJWRENCWLCQXSH-UHFFFAOYSA-N 352.390 2.488 30 40 FEEB CCN1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)CC1 35363914 OURZJOAJOVHDAD-QEHOSYAESA-N 362.514 2.149 30 40 FEEB biogenic COc1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@@H]4N3)C(=O)C2)cc1OC 9287949 SMZUMXAOIAAHPC-GJZGRUSLSA-N 370.449 2.435 30 40 FEEB COc1cc(Br)cc(/C=N/Nc2nc(C)cc(=O)[nH]2)c1O 7809790 PFBMLKAMYZTOMM-GIDUJCDVSA-N 353.176 2.001 30 40 FEEB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=C1C(=O)c2ccccc2C1=O 8053999 VBTJYXUOKIFJNX-ZDUSSCGKSA-N 370.430 2.322 30 40 FEEB CS(=O)(=O)c1ncc(Cl)c(/C(O)=N/c2ccccc2[N+](=O)[O-])n1 16751796 SMYCKZWDIFBAEO-UHFFFAOYSA-N 356.747 2.078 30 40 FEEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)cc1OC 44859688 WEUQVQARJCRRLS-MRXNPFEDSA-N 356.382 2.313 30 40 FEEB COc1ccc(/C=N/OCC(=O)OCC(=O)N(C)c2ccccc2)cc1 12882507 FHPRBNKDBULFAY-UDWIEESQSA-N 356.378 2.252 30 40 FEEB COc1ccc(/C=C2\SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 12436877 FHORBLISVLTCQB-SSZFMOIBSA-N 356.451 2.197 30 40 FEEB N#Cc1c(NC(=O)COC(=O)c2ccc[n+]([O-])c2)sc2c1CCCCC2 2619969 LJJUIYJFAYILHL-UHFFFAOYSA-N 371.418 2.318 30 40 FEEB COCCN(CCC#N)S(=O)(=O)c1cc(Br)ccc1F 78405413 BQSJNHDHUXWPAK-UHFFFAOYSA-N 365.224 2.139 30 40 FEEB C=CCOc1ccc(CNCCCSc2nnnn2C)cc1OCC 7541508 MMJUHGJUUMZWGR-UHFFFAOYSA-N 363.487 2.446 30 40 FEEB O=C1N=C(O)/C(=N/Nc2c(Cl)cccc2Cl)C(=O)N1CCCO 17989088 FFDBJZADRWICLU-ZDLGFXPLSA-N 359.169 2.062 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C#N)cc3)C2=O)cc1 408529336 CQXLDDORSKLYJM-INIZCTEOSA-N 362.345 2.168 30 40 FEEB N#Cc1ccc(OCC[C@H]2CO[C@H]3CN(C(=O)C4=CCCC4)C[C@@H]23)nc1 306141863 WIPWZXJVPHUULA-BZSNNMDCSA-N 353.422 2.306 30 40 FEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc(Cl)c(O)c([N+](=O)[O-])c1 409409762 WWGZHOHGNCDRET-WTTBSCSTSA-N 361.741 2.095 30 40 FEEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218152387 QJYYDIWGRMIQGV-BZSNNMDCSA-N 355.371 2.064 30 40 FEEB N#Cc1c(N2CCN(c3ccccn3)CC2)cc(-c2ccncc2)oc1=O 585145609 CHAWZAGQFXMEDL-UHFFFAOYSA-N 359.389 2.295 30 40 FEEB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O 256014946 ZAKAALIYVFELQV-CQSZACIVSA-N 362.382 2.079 30 40 FEEB N#Cc1c(N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)cccc1-n1cccn1 595968149 GILSGQMNECCLIE-VXGBXAGGSA-N 350.300 2.443 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)Cc2cccs2)c1 54487048 URWDKKQABUQUGF-UHFFFAOYSA-N 359.450 2.040 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1 24993133 CRWKBXYDTSTZRZ-CQSZACIVSA-N 372.446 2.098 30 40 FEEB N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)cc1 35335118 YVJVADAQSXMIFD-UHFFFAOYSA-N 368.418 2.281 30 40 FEEB COc1ccccc1N1CC[C@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 58180876 RVTPATQKTHONHT-MRXNPFEDSA-N 371.462 2.372 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 101306436 WLPBEPHDACUUEX-FZJVYVCZSA-N 352.481 2.084 30 40 FEEB Cc1cc(CN2CCN(CCC(=O)Nc3sccc3C#N)CC2)on1 22253288 OBEWWHNNRDRQAN-UHFFFAOYSA-N 359.455 2.063 30 40 FEEB COC(=O)c1cc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)ccc1Cl 409411909 NJGTUMUFYOTQNF-UHFFFAOYSA-N 373.796 2.416 30 40 FEEB C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)NCC 3529370 LWHUGLGAHOSTDI-UHFFFAOYSA-N 362.455 2.280 30 40 FEEB C=C(C)C[C@@H]1N(CCc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 4044180 PQWSQJPHBKAWTP-OHHNFCFSSA-N 353.418 2.431 30 40 FEEB biogenic Cc1cc(Br)cc(/C=N/n2c(=O)[nH]c3ccccc3c2=O)c1O 17056698 FOXBUMQNGQBGBU-QGMBQPNBSA-N 374.194 2.349 30 40 FEEB N#Cc1ccsc1NC(=O)CSc1nnnn1Cc1cccs1 8541930 JQJGTXXHGJSFMK-UHFFFAOYSA-N 362.465 2.447 30 40 FEEB CCOc1nc(N)c(C#N)c(-c2c(OC)cc(OC)cc2OC)c1C#N 19152662 WMESWPIOGMZUIQ-UHFFFAOYSA-N 354.366 2.499 30 40 FEEB N#Cc1cc2c(nc1N1CC[C@@H](COc3ccc(F)cn3)C1)CCOC2 1889091895 FJDQIFHNACALMD-CYBMUJFWSA-N 354.385 2.465 30 40 FEEB C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 32986284 UZAKPZVXIXILPX-JTQLQIEISA-N 358.423 2.467 30 40 FEEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCCc1ccc2c(c1)OCO2 23884407 CBKKSTQIIFJYEK-UHFFFAOYSA-N 368.437 2.434 30 40 FEEB Cc1ccc(NC(=O)CNCCCCCc2[nH]nc(N)c2C#N)cc1C 6908840 ULDVJVIHCKMRDC-UHFFFAOYSA-N 354.458 2.422 30 40 FEEB C=C(C)C[C@@H]1N(Cc2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4720660 CYOKHXZXJDYXLW-BWZHCXAASA-N 369.417 2.397 30 40 FEEB C=C(C)C[C@@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 2145741 PQWSQJPHBKAWTP-NAIAOIPJSA-N 353.418 2.431 30 40 FEEB biogenic C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 15508670 ZFSWPYKAFDLATK-RYUDHWBXSA-N 372.874 2.054 30 40 FEEB N#CCC[C@H](C#N)Cn1c(C[C@H]2CCS(=O)(=O)C2)nc2ccccc21 25062906 UJIJPKHCHHSOFD-HUUCEWRRSA-N 356.451 2.457 30 40 FEEB Cc1[nH]c(=O)nc(SCC(=O)N[C@@H](C)CCc2ccccc2)c1C#N 32776351 JISVHMOOWJRLED-LBPRGKRZSA-N 356.451 2.180 30 40 FEEB Cc1cc(Cl)nc(N/C=C2\C(=O)c3sccc3N(C)S2(=O)=O)n1 2567076 RYMNILTZGSGLAW-RMKNXTFCSA-N 370.843 2.416 30 40 FEEB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 8707521 VTRMIVRTMLLZSP-UHFFFAOYSA-N 357.435 2.078 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 20445384 PQRXBMJGPZVPGK-BREGNPSQSA-N 352.481 2.334 30 40 FEEB N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 24844640 SHLVGPHSIDOGPD-UHFFFAOYSA-N 351.409 2.250 30 40 FEEB NC(=O)c1ccccc1OCC#CCNC(=O)CCSc1ccccc1 90743857 HGMAELQUIJQFDI-UHFFFAOYSA-N 368.458 2.466 30 40 FEEB Cc1ccccc1CN/N=C1/C(=O)Nc2cc(N3CCOCC3)ccc21 95350809 BVQFXWRGYAQSFE-UHFFFAOYSA-N 350.422 2.278 30 40 FEEB COc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc(Cl)c1O 100301789 DOAZLJJZTAJMSX-BTXJMSSBSA-N 372.808 2.441 30 40 FEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1 225481259 IXEPPEANFUGKDA-HNNXBMFYSA-N 372.812 2.450 30 40 FEEB Cn1ncc([C@H]2[C@@H]3C(=O)CC(C)(C)C[C@@H]3O[C@@H](N)[C@H]2C#N)c1C(F)(F)F 408717938 WNANDJIMTDRPRE-DGFDXLHMSA-N 370.375 2.351 30 40 FEEB CC1(C)OB(C2CCN(C(=O)N3CCN4CCC[C@@H]4C3)CC2)OC1(C)C 1776007799 XKCHEPGHYBSUIK-MRXNPFEDSA-N 363.311 2.445 30 40 FEEB COc1ccc(CCNc2nc(NCCO)cc(C)c2C#N)cc1OC 71280893 ABCUJEHEINRHAL-UHFFFAOYSA-N 356.426 2.338 30 40 FEEB COC(=O)[C@@H]([C@H](SC(C)=O)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] 2239929 QUDSEISCSVORLY-HUUCEWRRSA-N 364.379 2.441 30 40 FEEB Cc1oc(-c2nc(C#N)c(N3CCCCC3)o2)cc1S(=O)(=O)N(C)C 40284376 RTVNYVHLASRUHX-UHFFFAOYSA-N 364.427 2.355 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 6658543 GCPMYUYAAISWPX-IEDWGEEESA-N 352.481 2.431 30 40 FEEB Cc1cc(C)nc(SCC(=O)OCC(=O)Nc2[nH]c(C)c(C)c2C#N)n1 36235022 MPGTWVDWCIYEMJ-UHFFFAOYSA-N 373.438 2.184 30 40 FEEB CN(C)c1ccc([C@H]2CCCN2C(=O)COc2ccccc2C#N)nn1 591657422 AKTKILQIGXRRCH-MRXNPFEDSA-N 351.410 2.157 30 40 FEEB CCOc1ccc(S(=O)(=O)N/N=C/c2cccc(OC)c2O)cc1 3526784 XSXYMVBZADQQLO-GZTJUZNOSA-N 350.396 2.112 30 40 FEEB Cc1ncc2c(n1)[C@H]1CN(C(=O)C3(C#N)CCCC3)C[C@H]1N(CC1CC1)C2 1565555266 VVGDUZTWOGBNMA-ZWKOTPCHSA-N 365.481 2.389 30 40 FEEB O=C(COc1ccccc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 34886238 AFCDWVQWFWMVNK-UHFFFAOYSA-N 373.434 2.175 30 40 FEEB CCc1cccc(CC)c1N1/C(=N\C(C)=O)S[C@@H]2CS(=O)(=O)C[C@H]21 101317165 CPRPPRMLCKNNJE-UICBKRPASA-N 366.508 2.433 30 40 FEEB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1 3541454 XJEMMTUXMSVPAR-UHFFFAOYSA-N 352.394 2.076 30 40 FEEB Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 38575236 IYIPNSVSLSOAJT-UHFFFAOYSA-N 355.463 2.373 30 40 FEEB N#Cc1ccc(NCCNC(=O)c2n[nH]c3ccccc23)c([N+](=O)[O-])c1 69565439 BJETYDWXPYHARN-UHFFFAOYSA-N 350.338 2.185 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 408723916 AIPAECZIXLLPRE-GKPCPYIKSA-N 355.350 2.135 30 40 FEEB N#C[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)NC12CCCC2 14163147 LKWBUDLPKZIOIM-INIZCTEOSA-N 371.872 2.400 30 40 FEEB Cc1ccc(-c2nc(SCC(=O)NCC(C)C)[nH]c(=O)c2C#N)cc1 5238290 MNARRUIZIFOBOS-UHFFFAOYSA-N 356.451 2.481 30 40 FEEB C=CCn1/c(=N/C(=O)C2=COCCO2)sc2cc(C(=O)OCC)ccc21 100874185 UCTVHDQIKFQDBO-HNENSFHCSA-N 374.418 2.381 30 40 FEEB CCN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)CC1 20112155 PWZIDACZWRSZDD-ZPMOIGASSA-N 362.514 2.151 30 40 FEEB biogenic O=c1[nH]cc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl 54429193 DRMUYQJKILRROD-UHFFFAOYSA-N 352.799 2.211 30 40 FEEB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NCc1ccc(C#N)cc1 58278181 YDONHSBRJMDPIC-UHFFFAOYSA-N 369.446 2.472 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(F)cc2)C1=O 408530323 DZFHCXFZKLZXNY-ZDUSSCGKSA-N 355.325 2.436 30 40 FEEB CC(C)(C)OC(=O)N[C@@]1(C=O)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O 218656743 BVRQXPLLGPJATG-WWGRRREGSA-N 373.858 2.313 30 40 FEEB CC(=O)N[C@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C(C)=C1C(C)=O 4594277 PMSUPGDRNYLEKZ-INIZCTEOSA-N 354.328 2.329 30 40 FEEB CC(C)C1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(C(F)(F)F)C1 814228 YCEQSIBKLGUPSM-OAHLLOKOSA-N 355.316 2.432 30 40 FEEB O=C(Cc1ccsc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 34886095 RFQBBSJTAPSBNF-UHFFFAOYSA-N 363.464 2.400 30 40 FEEB CN1CCN(c2cc(CNC(=O)/C=C/c3ccc(C#N)cc3)ccn2)CC1 56010525 VGQYVILMFWQWKS-VOTSOKGWSA-N 361.449 2.035 30 40 FEEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C\c1ccc(SC)cc1)N2 102971326 NJPGYKJTCQSBJF-JLHYYAGUSA-N 357.435 2.328 30 40 FEEB C[C@@H]1CCC[C@@H](N2CNC(=NS(=O)(=O)c3ccc(F)cc3)NC2)[C@@H]1C 22607958 CBRVECYDAHLVGN-XJKCOSOUSA-N 368.478 2.105 30 40 FEEB NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1Cc1ccc(Cl)cc1 11904233 DGPWLSYRLVJOFH-UHFFFAOYSA-N 366.808 2.289 30 40 FEEB C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1 7701205 SGCBDDIYCOHZFT-CYBMUJFWSA-N 353.407 2.178 30 40 FEEB Cc1cc(N2CCOCC2)ccc1C=Nn1c(O)nc2ccccc2c1=O 409360584 BBOPYGOSQCIFLK-UHFFFAOYSA-N 364.405 2.129 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 95915234 JODBWCZJRQWQKS-FZJVYVCZSA-N 352.481 2.334 30 40 FEEB COC(=O)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 13116180 JBPQMIUBHMGWPU-UHFFFAOYSA-N 363.439 2.500 30 40 FEEB aggregator N#Cc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3600649 NBUWHCPJPQKDGQ-NRFANRHFSA-N 374.400 2.280 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccc(OC)cc2OC)cc1 104110597 VFHFXKKQRTXHSR-HVESIFNPSA-N 369.373 2.422 30 40 FEEB C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(F)cc1 4345961 AAUYEENWXDEZSZ-UHFFFAOYSA-N 362.430 2.221 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 5516435 XXBHLGZVICJEFR-LQTLPLJTSA-N 358.872 2.351 30 40 FEEB CC(=O)Nc1ccc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1 7737680 QGKRXLQHFGRLSB-AWEZNQCLSA-N 357.391 2.443 30 40 FEEB O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccn1)c1ccc(F)cc1 15109800 YCMCDVYWSMGIEF-MRXNPFEDSA-N 356.353 2.181 30 40 FEEB COc1ccc(CN/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1OC 20196403 LEHUXNFBDCCFOB-SRZZPIQSSA-N 374.393 2.300 30 40 FEEB N#Cc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 58160224 ZVLIYQZZTXFWRV-UHFFFAOYSA-N 365.393 2.227 30 40 FEEB C[C@H](c1cccc(C#N)c1)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 284479641 GMWKZCJQPXYXSI-CRAIPNDOSA-N 359.470 2.203 30 40 FEEB C=CCNC(=S)N/N=C\c1ccc(OCC(=O)OC(C)C)c(OC)c1 408600186 ADXQVIQPEGZLSN-GRSHGNNSSA-N 365.455 2.010 30 40 FEEB Cc1ccc(OCc2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)c(C)c1 27750293 CKJGOAPUIFCIIH-UHFFFAOYSA-N 354.410 2.444 30 40 FEEB CCCCNC(=S)N/N=C/c1cc(OC)c(OC(C)=O)c(OC)c1 3322447 WIUCDKDQMHQYEE-VCHYOVAHSA-N 353.444 2.227 30 40 FEEB CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCc3ccccc32)CC1 92617317 YTXTWHVHBBVZSB-WOJBJXKFSA-N 354.498 2.298 30 40 FEEB Cc1ncc(S(=O)(=O)N(CCN(C)C)CC2CCCCC2)cc1C#N 331146136 NNLGSZXHSBRSBV-UHFFFAOYSA-N 364.515 2.394 30 40 FEEB COc1c(Br)cc(Br)cc1/C=N/NC(=N)N 1410725 PBHRYVPESUELQO-LNKIKWGQSA-N 350.014 2.037 30 40 FEEB COC1(OC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3)NC3=C(CCC3)[C@]12C#N 5501056 KJCNTJWPQJELGD-UHOSZYNNSA-N 363.421 2.106 30 40 FEEB C=CCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3908672 JEIMKYMPODWNCQ-UHFFFAOYSA-N 353.422 2.139 30 40 FEEB CCOc1ccc(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccccc2)cc1 100006074 GEUAGTUZXJEKEH-LTGZKZEYSA-N 367.434 2.343 30 40 FEEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(OC(C)=O)cc2)C(=O)N1CC 101127102 PKJKKQSDUCNDNO-DNZUHHBVSA-N 363.439 2.280 30 40 FEEB N#Cc1cccc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 23249031 VLJLNHBXHGVRQJ-UHFFFAOYSA-N 352.413 2.454 30 40 FEEB Cc1n(CCO)c([N+](=O)[O-])c[n+]1CC(=O)c1ccc(Cl)cc1Cl 54362857 CCARFWGCBKKPCO-UHFFFAOYSA-N 359.189 2.174 30 40 FEEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)C1CC1 5246965 BTWVNBYAMZDJAU-RGHHBTPQSA-N 370.883 2.351 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 5369717 JODBWCZJRQWQKS-XJFZTKQQSA-N 352.481 2.334 30 40 FEEB C=CCc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(OCC)c1OCC 408595333 WEMUCZGWRGIIIW-NTEUORMPSA-N 374.393 2.190 30 40 FEEB COc1cc(C#N)ccc1OCCN1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 595795959 MTMKXIYWKVYVQY-SJKOYZFVSA-N 358.398 2.099 30 40 FEEB Cc1ccc(NCc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1 16313392 WTEIYXHCAHBOPO-UHFFFAOYSA-N 371.462 2.500 30 40 FEEB CSc1ncc(C#N)c(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298218156 RYYSTTTVJUUKGB-UHFFFAOYSA-N 367.438 2.161 30 40 FEEB CNC(=O)c1ccc(/C=C/C(O)=N/S(=O)(=O)c2cccc(OC)c2)cc1 58187705 JBZREDQTNSHCLK-DHZHZOJOSA-N 374.418 2.413 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101305689 SOARKYOVDDPMDH-BKJYESAMSA-N 350.465 2.006 30 40 FEEB COc1cccc(/C=N/CCNC(=O)c2nc(-c3cccs3)no2)c1O 2733213 ROPOKBZCNSGHNR-VCHYOVAHSA-N 372.406 2.361 30 40 FEEB CCN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCOCC3)c2C1 13116157 QJZHQABIAZLOIL-UHFFFAOYSA-N 355.486 2.158 30 40 FEEB CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 614784910 WLSYESCLXHTOAI-INIZCTEOSA-N 356.430 2.095 30 40 FEEB COCCN(CCC#N)S(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2 78822722 LLBXDDAXQNFIRN-NSHDSACASA-N 358.847 2.214 30 40 FEEB N#Cc1ccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cc1 108536497 BGNADSOGGYZTSL-CTNGQTDRSA-N 353.466 2.409 30 40 FEEB C[C@H](CN1CCCC1=O)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 75092522 MSNIDTPBBMZFBE-CYBMUJFWSA-N 367.371 2.367 30 40 FEEB O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1/N=C/c1cccnc1 1036177 BURKCNQEEGDTEO-LSFURLLWSA-N 362.311 2.310 30 40 FEEB CC1=NN(c2ccccc2)C(=O)[C@]12O[C@]21C(=O)N(c2ccccc2)N=C1C 16607529 XJAFBOLYABJBRZ-WOJBJXKFSA-N 360.373 2.340 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccco1 101094402 ZABTXXOBJAWKDY-IWAYRVGRSA-N 356.378 2.412 30 40 FEEB O=C(O)CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 102866265 CUNFCPWFTUMUQU-UYTDBDHRSA-N 355.321 2.332 30 40 FEEB C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccccc1C#N 23628321 DTVDWJDQZAVDFA-LBPRGKRZSA-N 358.423 2.369 30 40 FEEB CC(C)(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 11907281 PQRXBMJGPZVPGK-RGHHBTPQSA-N 352.481 2.334 30 40 FEEB N/C(=N\OC(=O)c1occc1Br)c1ccc([N+](=O)[O-])cc1 28224092 UPJSNSCFLCZDPF-UHFFFAOYSA-N 354.116 2.428 30 40 FEEB O=S(=O)(/N=C(\O)CCOCC(F)(F)F)c1ccc2c(c1)OCCO2 48470434 UFYMVCZHQYTWJS-UHFFFAOYSA-N 369.317 2.072 30 40 FEEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccnc1 13127381 OPUAMKCCTJDUPE-KRWDZBQOSA-N 366.421 2.007 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2)n(C)c1=O 13758580 FFQBBMVXBRBBBX-UHFFFAOYSA-N 365.437 2.323 30 40 FEEB Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(Cc3ccc(F)cc3)c2=O)o1 14874231 XPOLAHSSIVZDQI-IUXPMGMMSA-N 365.389 2.025 30 40 FEEB COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc(OC)c4O)cnc3c2c1 2274492 LJRGAAPIYQDMQW-ZVBGSRNCSA-N 364.361 2.483 30 40 FEEB CCOC(=O)/C(=N\Nc1nc(=O)[nH]c2ccccc12)c1ccc(OC)cc1 14128747 AVOLXXLEFJXKKO-JWGURIENSA-N 366.377 2.311 30 40 FEEB C=CCOC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 200378015 GEQXLKJXRGNFCW-OAHLLOKOSA-N 364.398 2.449 30 40 FEEB CCOC(=O)C1=C2C(=O)NCCN2C2=C(C(=O)CCC2)[C@@H]1c1ccccc1 9926622 GQMRRVIQWNECJB-INIZCTEOSA-N 366.417 2.040 30 40 FEEB COc1ccc(/C=N/N2CCOCC2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2239299 YLUSEFJZSWPRGF-YBFXNURJSA-N 373.413 2.131 30 40 FEEB Cc1ccc(/C=N/NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)o1 13638229 CKXMFNMWIIFQLD-MHWRWJLKSA-N 366.468 2.159 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2ccco2)c1 71837451 HBELYJZRBWEPID-STQMWFEESA-N 369.420 2.132 30 40 FEEB C=C[C@H](C)n1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 8657370 BWPURRBOQLKIGF-ZDUSSCGKSA-N 351.410 2.104 30 40 FEEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 12338823 NHKAVJRAKOMJDN-PXAZEXFGSA-N 353.374 2.351 30 40 FEEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccnc1)c1ccco1 795075 BAFMZRSIUKAOJC-XJKSGUPXSA-N 354.362 2.432 30 40 FEEB N#Cc1ccccc1NC(=O)CCSc1nnnn1Cc1ccco1 11364255 MVZNUFGILXKNRL-UHFFFAOYSA-N 354.395 2.307 30 40 FEEB N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)C1CC1)CCCC2 46218487 AEWSLHOFQKNSGH-AWEZNQCLSA-N 371.437 2.309 30 40 FEEB CCOC(=O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 408749349 GBWCCEOPCARJCU-OCKHKDLRSA-N 374.353 2.386 30 40 FEEB N#Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408531004 GEVPLMYCFPORRJ-WMHQRMGPSA-N 350.378 2.144 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(C)cc1 32503299 CHTWOYPTJAOAHM-QLXQBBHQSA-N 352.481 2.002 30 40 FEEB CN1CC(=O)N(c2ccccc2)C[C@@]12CCN(C(=O)c1ccc(C#N)cc1)C2 96237762 BLRLDSBZQPKZMJ-QFIPXVFZSA-N 374.444 2.122 30 40 FEEB N#CCc1cccc(S(=O)(=O)N2CCc3sccc3[C@@H]2C(=O)O)c1 619471700 GQJUIMAKWBRVFS-OAHLLOKOSA-N 362.432 2.187 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN)[C@@H]2c2ccccn2)cc1 3766474 AJSRSOZGNBAAPV-QGZVFWFLSA-N 367.405 2.017 30 40 FEEB Cn1cccc1C(=O)N1CC[C@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1 96218915 FZJQNVRSNWDUOZ-PXNSSMCTSA-N 350.422 2.382 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245228719 DBMHIDLKZJEAQN-BBALDPMCSA-N 370.540 2.318 30 40 FEEB NC(=O)c1ccccc1OCC#CCNC(=O)CSCc1ccccc1 90610523 HAAYUZXDUVXRLU-UHFFFAOYSA-N 368.458 2.217 30 40 FEEB C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 95939166 HYNDDHUWTOIQJI-QXSJWSMHSA-N 365.474 2.457 30 40 FEEB COc1ccc(OCCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 15859746 UKTJDRDVBFOGDU-UHFFFAOYSA-N 364.405 2.163 30 40 FEEB Cc1cc2c(c(SC/C(N)=N/OC(=O)c3ccccc3)n1)C(=O)OC2 4698433 SXQXXJSCQURLHX-UHFFFAOYSA-N 357.391 2.282 30 40 FEEB N#Cc1ccccc1NC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 12342504 DWMHSHUFGYUJQT-UHFFFAOYSA-N 374.400 2.361 30 40 FEEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc(OC)c1O 40266162 CZPDIIIVRHGJJC-QGZVFWFLSA-N 366.377 2.500 30 40 FEEB CC[C@@H](/C(O)=N/S(=O)(=O)N1CCC(C(=O)OC)CC1)c1ccccc1 52766444 BXDKMKVUIBRFTK-OAHLLOKOSA-N 368.455 2.267 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309740 DBMHIDLKZJEAQN-ZZWQHHHISA-N 370.540 2.318 30 40 FEEB Cc1sc2ncn(/N=C/c3ccccc3OCC(=O)O)c(=O)c2c1C 3431960 SORKIAGMWBTPCJ-FBCYGCLPSA-N 357.391 2.420 30 40 FEEB COc1cccc(/C=N/NC(N)=S)c1OCc1ccc(C(=O)O)cc1 409187457 QOSDDFKWRSTGKK-DJKKODMXSA-N 359.407 2.140 30 40 FEEB COc1ccccc1C/N=C\[C@@H]1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408534986 NEKADWMBDBCLJG-YQODDJSKSA-N 365.389 2.474 30 40 FEEB CCOc1cc(N(C)C)ccc1C=Nn1c(O)nc2ccccc2c1=O 409354336 CMQFQBDDZGBUBM-UHFFFAOYSA-N 352.394 2.449 30 40 FEEB Cc1c(CN2CCCOC2)c(O)n(CCc2ccccc2)c(=O)c1C#N 19690862 NIUOPUXTWRNYCG-UHFFFAOYSA-N 353.422 2.157 30 40 FEEB C=CCN1C(=O)[C@](NC(=O)OCC)(C(F)(F)F)N=C1c1ccccc1 12413582 VFJISDQQMPHWBN-HNNXBMFYSA-N 355.316 2.466 30 40 FEEB N#Cc1ccc(OC[C@@H](O)CNC[C@H](c2ccco2)N2CCCC2)cc1 40160695 PVOVAMGOJIXORH-PKOBYXMFSA-N 355.438 2.318 30 40 FEEB C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(C)cc1 20167522 WWVXNGXSMPMVCJ-UHFFFAOYSA-N 358.467 2.390 30 40 FEEB C=CCn1c(SCc2nc(-c3nc[nH]n3)no2)nnc1-c1ccoc1C 78879593 QAHYXIOHIQIACR-UHFFFAOYSA-N 370.398 2.493 30 40 FEEB N#Cc1cccc(OCCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 47349379 XIFNYNQIWQHKHX-FQEVSTJZSA-N 363.373 2.167 30 40 FEEB Cn1ccnc1N1CCC(/N=C(/O)CN2Cc3ccccc3C2=O)CC1 328746485 LGUSDHAKTYQBDN-UHFFFAOYSA-N 353.426 2.001 30 40 FEEB NS(=O)(=O)c1ccc(N/C(S)=N\c2ccccc2C(=O)O)cc1 5740940 MVNPHVMFGOKGFS-UHFFFAOYSA-N 351.409 2.062 30 40 FEEB C=CCNc1nc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cs1 10135475 FRHNSXHTLXOYGY-UHFFFAOYSA-N 362.436 2.476 30 40 FEEB O/N=C(\c1ccccc1)C12C3[C@@H]4[C@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2 103926672 WTEAORZRLOVQJG-VVYAHHMGSA-N 374.234 2.493 30 40 FEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)Cc2ccccc2)CC1 52188376 HEEZNDDKJQVUDM-UHFFFAOYSA-N 350.378 2.358 30 40 FEEB CCn1cc(/C=N/N2CC(=O)C(c3nc4ccccc4s3)=C2N)c(C)n1 13730275 RUVDTGCDCQYBDH-DNTJNYDQSA-N 366.450 2.367 30 40 FEEB N#Cc1cc2c(nc1N1C[C@@H]3CN(c4ncccc4F)C[C@H]3C1)CCOC2 2086861294 BQTUEGRDLZBPQV-HZPDHXFCSA-N 365.412 2.133 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccs2)[C@@H](C#N)C(=O)N3)CC1 101441624 YSBIFJZUABPAPV-DGCLKSJQSA-N 369.450 2.291 30 40 FEEB O=c1ccc(-c2ccccc2)nn1C/C(O)=N/c1nc(C(F)(F)F)n[nH]1 51266595 WEXVJVACVMIUJF-UHFFFAOYSA-N 364.287 2.335 30 40 FEEB Cc1cc2n(CC(=O)Nc3ccccc3C#N)c(=O)c3ccccc3n2n1 32909131 CKJYXOXYKWNZAC-UHFFFAOYSA-N 357.373 2.468 30 40 FEEB C=CCNC(=O)CSc1nnc2n(CCCC)c(=O)c3ccccc3n12 8189249 CHNPOXOACMQWNM-UHFFFAOYSA-N 371.466 2.239 30 40 FEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 100237577 RLGVJTSLMWJIQA-CQKWPVDKSA-N 351.362 2.290 30 40 FEEB COc1ccc(C2CC(=O)C(=CNCCc3c[nH]cn3)C(=O)C2)cc1OC 3766889 QUQNBVLTMGEXGP-UHFFFAOYSA-N 369.421 2.159 30 40 FEEB C[C@@](C#N)(NC(=O)COC(=O)/C=C/c1c(Cl)nc2ccccn12)C1CC1 5562234 CRJKWCIHJDMMCI-DVBCCOPCSA-N 372.812 2.353 30 40 FEEB Cc1cc(=O)[nH]c(N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)n1 15356856 ONLVQSVDGIGDHK-PTGBLXJZSA-N 359.389 2.441 30 40 FEEB C=CCOc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O 34107667 QFJPTQBMOJATFJ-VBKFSLOCSA-N 362.414 2.326 30 40 FEEB COc1cc(C#N)ccc1O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 5629746 KEPMFXDRQTVZMG-GFCCVEGCSA-N 354.362 2.379 30 40 FEEB CC1(C)OB(c2cnc3c(c2)N(C(=O)OC2CCOCC2)CC3)OC1(C)C 1857775417 WTZHXPWILONQDL-UHFFFAOYSA-N 374.246 2.059 30 40 FEEB N#Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c(F)c1 24250146 PXEHSJUJLUGHBG-UHFFFAOYSA-N 352.413 2.454 30 40 FEEB CCCNC(=O)CN(C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 6627260 CTJDDDWKCRUKHU-GFCCVEGCSA-N 362.499 2.141 30 40 FEEB C#CCN1CCCC[C@H]1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 95365001 NGKFDLHGBRTKAV-IBGZPJMESA-N 353.466 2.027 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)c(Cl)c1 581477469 LOFLRXDQGNKSSE-GXTWGEPZSA-N 352.843 2.401 30 40 FEEB N#Cc1ncccc1S(=O)(=O)N1CCN(CC2CC2)c2ccccc21 583001080 WWKLXWVBQRAXEW-UHFFFAOYSA-N 354.435 2.379 30 40 FEEB N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@@H]3CC3(F)F)C2=O)cc1 598654374 FIJLXCFPVUVQPK-HUUCEWRRSA-N 362.380 2.004 30 40 FEEB Cc1ncccc1C(=O)NC1(C#Cc2cncc(C(N)=O)c2)CCCCC1 12337529 XPAVESMPJPBYOG-UHFFFAOYSA-N 362.433 2.368 30 40 FEEB C=CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c1C 19554470 LYYKJXVFPKOYGJ-BHIFYINESA-N 366.509 2.240 30 40 FEEB C=CCN(Cc1ccc(Br)s1)C(=O)Cn1cnc(C#N)n1 21914888 ZGJCLOLNVNBFLV-UHFFFAOYSA-N 366.244 2.189 30 40 FEEB N#Cc1cnc(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c(Cl)c1 596343404 MTIUYASMXDZCNZ-GASCZTMLSA-N 366.808 2.228 30 40 FEEB C=CCNC(=O)[C@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C 21603215 XJNAMIMUWFSGEU-FZMZJTMJSA-N 360.439 2.110 30 40 FEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)o1 71286605 RBPANAPBHGOWOU-UHFFFAOYSA-N 373.394 2.064 30 40 FEEB C=CCOc1ccc(/C=C/C(=O)Nc2c(N(C)C)nc[nH]c2=O)cc1OC 79110665 GKYLYQOBVIGAAA-VQHVLOKHSA-N 370.409 2.061 30 40 FEEB O/C(CCc1nc(-c2ccncc2)no1)=N\c1nc(C(F)(F)F)n[nH]1 26252564 GAXLRBKAAKASOX-UHFFFAOYSA-N 353.264 2.489 30 40 FEEB CC(=O)NC1=C(NCCOc2ccccc2)C(=O)c2ccccc2C1=O 12631909 FGGQEDRRSRDVBV-UHFFFAOYSA-N 350.374 2.082 30 40 FEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12924218 WFFQNBJYEUYGHA-CYBMUJFWSA-N 362.389 2.221 30 40 FEEB Cc1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=S)Nc2ccccc2)cc1 13496585 UJFZFQBBZUDIIV-UHFFFAOYSA-O 370.483 2.342 30 40 FEEB COCc1cc(C)nc(SCC(=O)Nc2ccccc2C(N)=O)c1C#N 7461478 TUGZRJHFXQAHTK-UHFFFAOYSA-N 370.434 2.238 30 40 FEEB Cc1ccc(N2C(=O)[C@H](/C=N/c3ccccc3O)C(=O)NC2=S)cc1 408766128 ZQMKCWNPXXULSD-BUESGFEBSA-N 353.403 2.467 30 40 FEEB CN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)/C=C/c1ccccc1 8304279 GQJVYYRCVXAKFV-ZHACJKMWSA-N 355.419 2.429 30 40 FEEB C=CCN1C[C@@H]2CN(CC3CCOCC3)CCC[C@]2(C(=O)OCC)C1 96055987 HOPAJGXEPCTSDY-ICSRJNTNSA-N 350.503 2.176 30 40 FEEB C=CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 58216617 QCDUJSNTFKOVQB-BLGFXRMMSA-N 371.462 2.087 30 40 FEEB COC(=O)c1ccn(CSc2nncn2/N=C/c2ccc(F)cc2)n1 2733952 YCZIEKZAKAOVPM-QGMBQPNBSA-N 360.374 2.032 30 40 FEEB C=CCNC(=O)c1cc2c(=O)n3ccccc3nc2n([C@@H](C)CC)c1=N 100628106 GVDAMQNLMMESDZ-LBPRGKRZSA-N 351.410 2.015 30 40 FEEB CC(C)(C)c1nc(C#N)c(N2CCC(C(=O)Nc3c[nH]ccc3=O)CC2)o1 32069805 PVKHLMIYCKGHFK-UHFFFAOYSA-N 369.425 2.387 30 40 FEEB C#CCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1 55122872 HFTJQWAAHQYEET-UHFFFAOYSA-N 357.373 2.498 30 40 FEEB N#CCCN(Cc1cccnc1)C(=O)CCn1cnc2ccccc2c1=O 58293548 NTDLQNZKHRAWAI-UHFFFAOYSA-N 361.405 2.124 30 40 FEEB N#CCCNC(=O)COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 21462308 UWNNJXDXQTUXNU-UHFFFAOYSA-N 372.402 2.373 30 40 FEEB O/C(=N/CCc1ccn(-c2ccccc2)n1)N[C@@H]1CCO[C@@]2(CCOC2)C1 329096347 BRVMSFBIHNFMBF-XLIONFOSSA-N 370.453 2.257 30 40 FEEB N#Cc1ccc(CN2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1 12142383 WDPYXCQIFZUGQJ-UHFFFAOYSA-N 368.462 2.254 30 40 FEEB C=CCN1CCC2(CC1)CN(S(C)(=O)=O)Cc1cc(C)ccc1O2 19219542 LGCAJWGKLPBYTE-UHFFFAOYSA-N 350.484 2.170 30 40 FEEB CSc1nc(C(F)F)cc(N2CCN(c3nccc(C#N)n3)CC2)n1 1888863593 XBMFMXACLHHWLP-UHFFFAOYSA-N 363.397 2.124 30 40 FEEB CCCCCCCCn1c(NCCCOC)nc2c1c(=O)[nH]c(=O)n2C 101461948 LJMRSRDBHVMECC-UHFFFAOYSA-N 365.478 2.232 30 40 FEEB Cc1ccc(CN2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 5342066 FCXXMGFSPXNMQU-PLDZJGDPSA-N 366.508 2.248 30 40 FEEB N#CCc1ccc(OC[C@H](O)Cn2cnc3cc(F)ccc3c2=O)cc1 14186603 FNUJCFXIUJGZHO-OAHLLOKOSA-N 353.353 2.042 30 40 FEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 4855398 KLTJMDWRZQKRET-INIZCTEOSA-N 370.365 2.166 30 40 FEEB N#Cc1cccc(CN2CC[C@]3(CC(C(=O)NCc4ccco4)=NO3)C2)c1 96225846 KPVQDNVVJGEXBQ-FQEVSTJZSA-N 364.405 2.188 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245229117 NRAWHIODSJYFAC-GJKMDYQJSA-N 370.540 2.318 30 40 FEEB COC(=O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 5445576 LWORUDMOAVITCN-KRWDZBQOSA-N 351.358 2.438 30 40 FEEB COC(=O)c1cc(Cl)ccc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 8592512 SBDLDJQTBHHERA-UHFFFAOYSA-N 373.796 2.416 30 40 FEEB CCOC(=O)c1c(CN2CCN(CC#N)CC2)oc2ccc(OC)cc12 19904103 YHUNQZNYEVRCCQ-UHFFFAOYSA-N 357.410 2.259 30 40 FEEB Cc1nc(N2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)c2ccncc2n1 2086865431 WROJSLCTCVXEBM-HZPDHXFCSA-N 357.421 2.173 30 40 FEEB C=CCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 8404927 CXERLTYXCPNMKZ-UHFFFAOYSA-N 352.456 2.176 30 40 FEEB C=CCN1/C(=N/C(=O)CCC2CCCC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 5325265 OCDMVFYOOZBOBV-XJFZTKQQSA-N 356.513 2.240 30 40 FEEB N#CCn1c(CSc2nnnn2C2CCCC2)nc2ccccc2c1=O 8395420 OXPTYTNGHKCYBV-UHFFFAOYSA-N 367.438 2.314 30 40 FEEB Cc1cc([C@@H](O)CNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)c(C)o1 1565520291 LYZKNBRDINIPPJ-HNNXBMFYSA-N 361.785 2.210 30 40 FEEB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 222881204 CYHPLFIRTHSLQX-UHFFFAOYSA-N 357.435 2.380 30 40 FEEB C#CCOc1ccc(-c2nc3cnccn3c2NCCOC)cc1OC 12113880 RQOMIJCKBQCSQY-UHFFFAOYSA-N 352.394 2.475 30 40 FEEB O=C(CO/N=C\c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 13132949 GSWVRJUGEIPAFC-STZFKDTASA-N 367.405 2.148 30 40 FEEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)COCc2ccccc2)CC1 252537639 LXMTYQHFRIEGJM-QAQDUYKDSA-N 366.421 2.371 30 40 FEEB CCc1ccc(/C(O)=N/S(=O)(=O)c2cccc(S(C)(=O)=O)c2)s1 54487844 SENUUZAJYKPLNU-UHFFFAOYSA-N 373.477 2.408 30 40 FEEB N#Cc1ccc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCOCC3)C2)cc1 108527179 BGNADSOGGYZTSL-TZIWHRDSSA-N 353.466 2.409 30 40 FEEB C/C(=N/N=C1\NC(=O)[C@@H](CC(=O)O)S1)c1ccc(Br)cc1 9189432 BTWUVWNJCQXANQ-SMUOPJFFSA-N 370.228 2.235 30 40 FEEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)N1CCOCC1 19399830 JRGOYMAMRLBKCB-UHFFFAOYSA-N 358.401 2.140 30 40 FEEB C=CCc1cc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)cc(OC)c1OC 19549459 CFXULQAHMZDUGC-OALUTQOASA-N 360.498 2.463 30 40 FEEB COC(=O)c1sccc1S(=O)(=O)/N=C(\O)c1ccc2c(c1)COC2 50204848 QOHLYGIZBMYHBM-UHFFFAOYSA-N 367.404 2.258 30 40 FEEB CN(CC(=O)OCC(=O)NC1CCCCCCC1)c1ccc(C#N)cn1 52263979 FIUAWCNPGLPAHH-UHFFFAOYSA-N 358.442 2.162 30 40 FEEB N=C(NNS(=O)(=O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F 1697252 ZRHFULOSEUETLM-UHFFFAOYSA-N 367.246 2.280 30 40 FEEB CC(=O)ON1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104085542 FLPKKKZBPUAXKH-WXNWJBHASA-N 358.992 2.127 30 40 FEEB C[C@@H]1CN(CCCNC(=O)CSCc2ccc(C#N)cc2)C[C@@H](C)O1 40120885 XXJRQJZPQJPZDI-HZPDHXFCSA-N 361.511 2.407 30 40 FEEB N#Cc1ccc(CN2CCCN(Cc3nnnn3-c3ccccc3)CC2)cc1 32873645 FQXQBFJITSEDST-UHFFFAOYSA-N 373.464 2.242 30 40 FEEB C[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 108081953 UJHKABPEYCKWES-JSGCOSHPSA-N 353.875 2.459 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O 2348393 PUTFPUBYQKOTCY-UHFFFAOYSA-N 371.828 2.196 30 40 FEEB CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 100937580 MZQOWKNYSMRNTM-HPJJITKJSA-N 362.835 2.100 30 40 FEEB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccnc2nc(/N=C/N(C)C)nn12 4084199 QGXKHEPKTZTBLE-VDCVXVNISA-N 355.358 2.394 30 40 FEEB O=C(C[C@H]1S/C(=N\C[C@@H]2CCCO2)NC1=O)Nc1ccccc1Cl 7882660 KONTYCRNYKVDPV-GXFFZTMASA-N 367.858 2.435 30 40 FEEB Cc1ccnc(O[C@H]2CCOC3(C2)CN(Cc2ccccc2C#N)C3)n1 253478997 ODZYGALVOPDGAD-SFHVURJKSA-N 350.422 2.469 30 40 FEEB CCOC(=O)Cc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(C(C)C)cc2)n1 13634037 MLZZNYMMVKXKNJ-UHFFFAOYSA-N 357.414 2.057 30 40 FEEB Cc1cc2ccccc2n1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 160863733 LVTXBRIEEKPVHA-MRXNPFEDSA-N 374.448 2.349 30 40 FEEB COc1cc(/C=N/n2nnnc2Nc2ccccc2)cc(OC)c1OC 1001049 YXIYBCGMIIPAHZ-WOJGMQOQSA-N 354.370 2.325 30 40 FEEB C=CCNC(=O)c1ccccc1NCc1cc(=O)n2nc(CC)sc2n1 40012070 RAAFKRHSAVJXIS-UHFFFAOYSA-N 369.450 2.241 30 40 FEEB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCCCC1 26016029 YWZVZAVBPVRYIL-AWEZNQCLSA-N 360.410 2.487 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F 101314662 UHTIKIKQFBTNAJ-QJGXAYKQSA-N 368.455 2.146 30 40 FEEB Cc1c(-c2ccc(/C=N/NC(=N)c3nonc3N)o2)cccc1[N+](=O)[O-] 2201733 KSLYRVFDTURYJE-CNHKJKLMSA-N 355.314 2.077 30 40 FEEB COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O[C@@H](C)C(=O)O 409015629 RQKQVASUGJORRG-KKBVUKDESA-N 368.345 2.177 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1 225488234 QIDBGARJGUFGON-QAPCUYQASA-N 364.405 2.032 30 40 FEEB CC(=O)c1c(C)oc(NC(=O)CCn2cnc3ccccc3c2=O)c1C#N 95482163 WMYYZKUMXFVFDY-UHFFFAOYSA-N 364.361 2.401 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 40049368 NTFRNMNGOVTRQI-YJBOKZPZSA-N 360.479 2.393 30 40 FEEB N#Cc1ccnc(N2C[C@H]3CN(c4ncccc4C(F)(F)F)C[C@@H]3C2)n1 1888854312 XIFPQJRFTLZYNF-VXGBXAGGSA-N 360.343 2.335 30 40 FEEB CCOc1ccccc1-c1noc(Cn2nc(C)c(C)c(C#N)c2=O)n1 40033943 DVKSYKKRMWAYSQ-UHFFFAOYSA-N 351.366 2.229 30 40 FEEB Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 23762195 LPOGFNFPURUPOK-UHFFFAOYSA-N 356.451 2.081 30 40 FEEB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1cccc(C#N)c1 12522584 GVQAKSOYFRMFAP-UHFFFAOYSA-N 371.462 2.216 30 40 FEEB C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccn2)C(C)C)c1 58344141 LBVQKRCFDOVACM-UHFFFAOYSA-N 371.462 2.044 30 40 FEEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 5370298 SDFFEYOWUVDLQY-TWWIOWFMSA-N 356.444 2.083 30 40 FEEB CC(=O)Nc1ccc(F)c(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)c1 66003972 OGTLGQFGKMPHNE-UHFFFAOYSA-N 361.354 2.349 30 40 FEEB C=C(C)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)cc1 6662044 URUKCVFNTVKTPL-CABCVRRESA-N 352.481 2.346 30 40 FEEB N#C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1Cc1ccccc1 74673460 UQTFYVGGTHFUPK-QGZVFWFLSA-N 357.417 2.480 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409145026 PAGKNRNOTWLOBR-GZTJUZNOSA-N 364.405 2.272 30 40 FEEB CC1(C)CC(=O)[C@@H]2[C@H](C1)O[C@H](N)[C@@H](C#N)[C@H]2c1cnn(CC(F)F)c1 408717931 SZKZKYLZPFYQEC-MXRKXNECSA-N 352.385 2.060 30 40 FEEB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO 77302718 PIDANAQULIKBQS-VUOZLLHNSA-N 372.461 2.012 30 40 FEEB biogenic,in-vitro Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N[C@H](C)c1ccc(F)c(F)c1 32932187 QIPACBYBNYODNA-SECBINFHSA-N 371.347 2.313 30 40 FEEB CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C/[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 104194857 ABLNQMKQYJQVRR-NEKZULBQSA-N 362.422 2.260 30 40 FEEB CCc1cccc(CC)c1N1/C(=N\C(C)=O)S[C@@H]2CS(=O)(=O)C[C@@H]21 101317166 CPRPPRMLCKNNJE-WPIBOPBSSA-N 366.508 2.433 30 40 FEEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(C[C@H]2CCCO2)c1=O 4163298 VWQXIFQOTYLMML-CQSZACIVSA-N 358.781 2.489 30 40 FEEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cccc([N+](=O)[O-])c1 408535889 OWONSMCLZNLGKC-GVARAGBVSA-N 370.365 2.180 30 40 FEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1OC 222369965 XMHDEEIHFNLZDA-UVXODDGSSA-N 352.390 2.091 30 40 FEEB O=C(NCC#CCOc1ccc2c(c1)OCO2)NCCc1ccccc1 90730940 KLYPTWXIEBGMFN-UHFFFAOYSA-N 352.390 2.339 30 40 FEEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)OC 5445592 FGBDJCQIRINXJF-KRWDZBQOSA-N 368.389 2.279 30 40 FEEB O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)/C(=C(\O)c2ccc([N+](=O)[O-])cc2)C1=O 102615553 HKIOCZJNXCCSMO-MRPLLJTBSA-N 369.289 2.212 30 40 FEEB Cc1n[nH]c(C)c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccs1 102737725 JLZFJIWGSFVPJA-DPEHCCBOSA-N 374.466 2.071 30 40 FEEB C=CCNC(=O)NC(=O)COc1ccccc1C(=O)Nc1ccccc1 8313501 OCJZNCIBTIZGRJ-UHFFFAOYSA-N 353.378 2.330 30 40 FEEB O=[N+]([O-])c1ccc(O)c(/C=N\CC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 100458007 YLTXOGYEOSBKDA-BUOZRGFLSA-N 358.310 2.452 30 40 FEEB C=CCn1nnc(NC(=O)COc2c(C)cc(C)cc2Br)n1 10149045 JKUYZZHPMURFPY-UHFFFAOYSA-N 366.219 2.256 30 40 FEEB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 12914830 UNZAOQXATOGLTO-UHFFFAOYSA-N 370.365 2.352 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccncc1 6787095 RYCWTTULHGURQU-IBOXJLQUSA-N 355.394 2.048 30 40 FEEB COc1ccc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)c(OC)c1 4855927 BTLJACXLEVCCLT-XDHOZWIPSA-N 357.414 2.085 30 40 FEEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N(CCO)CCO)n1 19820582 WFERCNWLTHKLEM-UHFFFAOYSA-N 364.858 2.182 30 40 FEEB C=CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 408710039 MKOWWQYHPLWRKO-UHFFFAOYSA-N 351.406 2.166 30 40 FEEB COc1c(O)c2c3c(c1O)C(=O)[C@@]1(O)C(=C3C(C)=CC2=O)O[C@H](C)C1(C)C 6030526 PKJJEYCUTMFGJW-ZPWHCFADSA-N 372.373 2.332 30 40 FEEB biogenic CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 32504708 BNBFZLNTHHPCTB-ZHFIRJDFSA-N 366.508 2.330 30 40 FEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)c1 100058646 FMCNYTQYSYLTNI-REUQVWNUSA-N 352.390 2.235 30 40 FEEB CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)C1(C#N)CCCC1)CC2 1614934031 LPDKAPPBXPVWBW-INIZCTEOSA-N 361.486 2.194 30 40 FEEB COC(=O)c1ccc(OC(C)C)c(NCC(=O)N[C@](C)(C#N)C2CC2)c1 58216972 MTMNQGPVPYPSAN-LJQANCHMSA-N 359.426 2.481 30 40 FEEB CC(=O)C1(C(C)=O)C2=C(C(=O)C(Cl)=C(Cl)C2=O)N2C=CC=C[C@@H]21 104205793 LWERNYFCHAFRFW-SECBINFHSA-N 352.173 2.014 30 40 FEEB C=CCN1C(=O)/C(=C\N(C)C)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100972598 KBJPLDYEQGHOEQ-WFKIQOLASA-N 369.443 2.035 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccccc2NC(=O)CC)C1=O 9009562 GIZIIYGNAOUQQJ-FOWTUZBSSA-N 370.409 2.376 30 40 FEEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nccn1C 8458704 SIZMYOCDOGPGKL-UHFFFAOYSA-N 361.471 2.477 30 40 FEEB CC/N=C1\S[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC(=O)N1CC 18058864 HTHAQQWHMVTWJA-XAGMJWQQSA-N 363.439 2.142 30 40 FEEB CCCCCCCCCCCCNC(=O)C(=O)NCCN1CCOCC1 408706810 DZMVQTYCRCTWOY-UHFFFAOYSA-N 369.550 2.472 30 40 FEEB COC(=O)COc1cccc(/C=N/NCc2ccc(OC)c(OC)c2)c1 20196379 FAFSPXOZEHSOQM-RGVLZGJSSA-N 358.394 2.379 30 40 FEEB CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cccc(C#N)c1)C2 96237727 KEXWANPMFQMNNA-JOCHJYFZSA-N 374.444 2.122 30 40 FEEB CCc1cnc(OC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1775972217 DGXQJWYMIRQELC-UHFFFAOYSA-N 372.450 2.143 30 40 FEEB CN(C)CCn1nnnc1SCc1ccc(C#N)cc1C(F)(F)F 594888720 CCWMGNDUTJJKLX-UHFFFAOYSA-N 356.377 2.417 30 40 FEEB N#Cc1ccc(N2C[C@H]3CN(c4ccc(C(F)(F)F)nn4)C[C@H]3C2)nc1 1889084212 GTGIJIUSBHYLAD-BETUJISGSA-N 360.343 2.335 30 40 FEEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2nccs2)CC1 57475485 YYIPAGACCZZUTA-UHFFFAOYSA-N 361.858 2.429 30 40 FEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(F)cc2)C1=O 9457235 YCPYZRUQKZOAJA-IBGZPJMESA-N 361.417 2.407 30 40 FEEB C=CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)Cc2ccccc2-3)C1=O 58151695 SYKHLAHKPLMVRH-UHFFFAOYSA-N 360.369 2.417 30 40 FEEB COc1ccc(-n2cnnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1 3397595 YLDAMVJQNJTYSI-QGZVFWFLSA-N 359.455 2.422 30 40 FEEB N#CC1(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CCCC1 5215829 XISTUDUPBOAHJT-UHFFFAOYSA-N 355.419 2.301 30 40 FEEB C=CCNC(=O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=O)n2CCC 9996240 ZHTJVNPGGQBHAO-UHFFFAOYSA-N 364.405 2.078 30 40 FEEB CN(C)C(=O)C[C@]1(O)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 591619382 ZLBOSXPFEHRKTK-MRXNPFEDSA-N 355.360 2.387 30 40 FEEB N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@@H]3CC3(F)F)C2=O)cc1 598654368 FIJLXCFPVUVQPK-CABCVRRESA-N 362.380 2.004 30 40 FEEB N#Cc1ccccc1CN[C@@H]1CCc2onc(CN3CCOCC3)c2C1 2055734678 LAHLHWSEGZSISC-QGZVFWFLSA-N 352.438 2.026 30 40 FEEB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(C#N)c3)C2=O)c(C)o1 58193438 GTXCOLDMCBJBEL-LJQANCHMSA-N 366.377 2.174 30 40 FEEB COc1cc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc(OC)c1O 20637986 HLLSCLCOOSGPMO-BDJLRTHQSA-N 364.361 2.440 30 40 FEEB CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 13135597 GTVQPKCWCMUUMC-QDASYUEBSA-N 366.508 2.330 30 40 FEEB COC1(OC)N=C(N)[C@]2(C#N)[C@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N 13805676 KJCNTJWPQJELGD-YTQUADARSA-N 363.421 2.106 30 40 FEEB N#Cc1cc([N+](=O)[O-])cn(Cc2cc(Cl)c3c(c2)OCCCO3)c1=O 7534903 FSAQJSZWGQQNIT-UHFFFAOYSA-N 361.741 2.491 30 40 FEEB N#Cc1cc2c(N)c(C(=O)Nc3ccccc3[N+](=O)[O-])sc2nc1N 18191104 LAQZRGWJEFDDSQ-UHFFFAOYSA-N 354.351 2.493 30 40 FEEB C/C(=N\N=C(/C)c1nnn(-c2nonc2N)c1C)c1ccc(F)cc1F 4004852 ZAEUNYGWCBYQCY-OKXCLTPOSA-N 360.328 2.052 30 40 FEEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc(OC)c1OC 20085966 WVRATPDGLUGCNM-MRXNPFEDSA-N 356.382 2.326 30 40 FEEB CCOC(=O)c1c(O)n(/N=C/c2ccccc2C)n[n+]1Cc1ccccc1 33436099 YTYMPQAACIFMTP-FYJGNVAPSA-O 365.413 2.292 30 40 FEEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccc2O)CC1 58158641 PMMIZEOAJREFHO-HNNXBMFYSA-N 350.422 2.413 30 40 FEEB C=CCNC(=O)[C@H](C)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27773705 UCAJHTATCOPWGL-AWEZNQCLSA-N 371.403 2.394 30 40 FEEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cs1 28128289 ANNSRSUNXPXBJQ-LLVKDONJSA-N 363.443 2.275 30 40 FEEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 101300688 UMXBNQAFWFFVOQ-BLCHQYFCSA-N 356.444 2.083 30 40 FEEB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2cc(C#N)ccn2)cc1 583621053 SJLMJIDTZZHKTJ-QUCCMNQESA-N 351.406 2.474 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@H]2CC[C@H]1C2 245229039 LQWWUZDUGQSMCA-GQQNJKIQSA-N 370.540 2.462 30 40 FEEB Cc1cc(C#N)ccc1S(=O)(=O)NC1(C)CCC2(CC1)OCCO2 1664763956 YLNXPONMXZGIOK-UHFFFAOYSA-N 350.440 2.221 30 40 FEEB Cc1cc(N2CCN(c3ncc(C#N)cc3Cl)CC2)nc(N(C)C)n1 1889109018 UKXPYUVVFBZNTL-UHFFFAOYSA-N 357.849 2.098 30 40 FEEB CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)Nc3ccccc32)o1 12533446 WZFDTGVBKSZGKW-WJDWOHSUSA-N 371.418 2.448 30 40 FEEB COc1cc(/C=N/[C@@H]2CCS(=O)(=O)C2)ccc1OC(=O)c1ccco1 2286720 FVYMOTWSFZSCEJ-HVOBPNNYSA-N 363.391 2.113 30 40 FEEB COC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(F)cc1 224914271 ABYXNPZFZPOUFT-UHFFFAOYSA-N 362.382 2.260 30 40 FEEB N#Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](Nc2ncccn2)CO3)c1 96221613 RYXZBTYJWUEQLY-KRWDZBQOSA-N 363.421 2.224 30 40 FEEB N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1C(F)(F)F 262701926 ZFECQJQXUPXTCN-LBPRGKRZSA-N 362.329 2.205 30 40 FEEB N#Cc1ccccc1N1CCN(Cc2nnc([C@@H]3CCCOC3)o2)CC1 591694277 CTODVMQXVBFPEC-MRXNPFEDSA-N 353.426 2.157 30 40 FEEB CCOC(=O)[C@@H]1O[C@@]12c1cccc3cccc(c13)[C@]21O[C@H]1C(=O)OCC 5085987 CGMQEBARDLMDNR-CPLUKWAASA-N 354.358 2.168 30 40 FEEB COc1cc(NCCCC/N=C(\N)N/C(N)=N\C(C)C)c2ncccc2c1 1684796 FFLJUCFYYFSJNR-UHFFFAOYSA-N 371.489 2.063 30 40 FEEB C#CCOc1ccc2ccccc2c1/C=N/n1c(S)nnc(C)c1=O 8228354 VXWREOKRRYYSCX-YBFXNURJSA-N 350.403 2.283 30 40 FEEB Cc1noc(C)c1CN1C[C@@]2(CCN(C(=O)C3(C#N)CCCC3)C2)CC1=O 1614940147 DWYJPXBZZZFUGR-IBGZPJMESA-N 370.453 2.326 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCCN3c2cc(C)cc(C)c2)n(C)c1=O 4249168 VRJCEUHWEQOANO-UHFFFAOYSA-N 365.437 2.241 30 40 FEEB C=CCNC(=O)[C@@H](C)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27303319 NJFDJEVKFRPOHY-GFCCVEGCSA-N 357.376 2.101 30 40 FEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1OC 101306833 YIBWZEGRKSPOEF-SPWPSQOPSA-N 368.480 2.097 30 40 FEEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 69284127 HRHJOVOCULFITF-IUODEOHRSA-N 353.440 2.405 30 40 FEEB CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409356364 MWSZRRNXMVYIPV-UHFFFAOYSA-N 354.322 2.291 30 40 FEEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 32504692 CKAKRWCZBZAMKP-YTRIFDNDSA-N 366.508 2.474 30 40 FEEB COc1ccccc1C/N=C\[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O 408527955 AKWOYGRTQHKELZ-PJICWNCHSA-N 369.352 2.304 30 40 FEEB N#Cc1ccc(OC[C@@H]2CO[C@@H]3CN(C(=O)C4CC(F)(F)C4)C[C@H]23)cc1 1565548963 NCXMWMXSGCCFJN-DJIMGWMZSA-N 362.376 2.456 30 40 FEEB N#Cc1cccc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1 2298051631 XKKHVQBGKLBSNO-UHFFFAOYSA-N 361.405 2.391 30 40 FEEB CCc1ccc([C@@H](C)NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)cc1 32776402 HYWYTPVFDCQHNF-LLVKDONJSA-N 356.451 2.482 30 40 FEEB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](C#N)CCC#N)C1=O 53726771 GEBKLPAXGSSMTL-BFUOFWGJSA-N 352.394 2.222 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 36638599 DPDGBJDYAWCKRF-PAQRIORXSA-N 370.471 2.473 30 40 FEEB N#C[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C1 581815861 MFLUHQPQRJRRCX-GOEBONIOSA-N 365.437 2.328 30 40 FEEB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5ccc(C#N)cc5)C[C@@H]4C3)n1)CCC2 1888879327 QUGPYMFZWDATQF-ROUUACIJSA-N 373.460 2.354 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@@H]2c2ccccc2F)cc1 102798630 LBPRNPVJAAVVJD-GROYHEBESA-N 371.364 2.248 30 40 FEEB C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@]5([C@@H](O)CC[C@@]4(C)CN(CC)[C@@H]15)[C@@H]3CC2=O 100472980 CBOSLVQFGANWTL-ITICQJTMSA-N 357.494 2.000 30 40 FEEB C=CCn1c(=O)c(C(=O)N[C@@H](C)CC)c(O)c2cc(OC)c(OC)cc21 100643324 JDBIJZWMLDAZKC-NSHDSACASA-N 360.410 2.439 30 40 FEEB COCc1cc(C)nc(N/N=C/c2ccc3c(c2)n(C)c(=O)n3C)c1C#N 409080048 DBEPFSXUKWFGBT-UFFVCSGVSA-N 364.409 2.045 30 40 FEEB N#Cc1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(F)c1 60355784 OWUSTDIVAMLPCR-UHFFFAOYSA-N 363.396 2.256 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)NCc2ccc(F)cc2)C1 225489191 OUYFROCREPGIAT-OAHLLOKOSA-N 355.373 2.240 30 40 FEEB C[C@@H]1Oc2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2NC1=O 619461506 NGGJRPNKFWRKBP-NSHDSACASA-N 357.391 2.273 30 40 FEEB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OCC#N 20027277 GDNBUUMMDILMGO-UHFFFAOYSA-N 369.381 2.252 30 40 FEEB C=CCn1/c(=N/C(=O)C(C)(C)C)sc2cc(S(N)(=O)=O)ccc21 100874816 YAELTWVOCCTGFI-VKAVYKQESA-N 353.469 2.010 30 40 FEEB COC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)C)[C@@H]1c1ccc(C#N)cc1 1070138 BYMYTRUNAVIGHG-HNNXBMFYSA-N 356.378 2.241 30 40 FEEB CCOC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 58178303 BVVXTGZSYFWHQI-UHFFFAOYSA-N 353.426 2.183 30 40 FEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 9457240 YCPYZRUQKZOAJA-LJQANCHMSA-N 361.417 2.407 30 40 FEEB C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 58342077 SLKSKASGCBSUIV-QGZVFWFLSA-N 352.413 2.494 30 40 FEEB CCOC(=O)[C@@]1(C)/C(=N/Nc2ccccc2)C(=O)C(=O)N1c1ccccc1 2351897 JCQMHZJSQOZGDA-LCMCWVSWSA-N 365.389 2.392 30 40 FEEB CCOC(=O)[C@]1(C)/C(=N/Nc2ccccc2)C(=O)C(=O)N1c1ccccc1 2351901 JCQMHZJSQOZGDA-RWVGPTSPSA-N 365.389 2.392 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 101318251 CVCNKGUARBFDBW-QLXQBBHQSA-N 352.481 2.315 30 40 FEEB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccccc2C#N)c1 3303713 LYJPJBKLDFMCDZ-UHFFFAOYSA-N 368.345 2.149 30 40 FEEB O=S(=O)(/N=C(\O)COC1CCCCC1)c1ccc2c(c1)OCCO2 48470428 MJKFHJUPYRDDER-UHFFFAOYSA-N 355.412 2.452 30 40 FEEB N=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccc2c(c1)OCO2 6242975 RQKQDMJVGOWQRQ-GDMKUJALSA-N 358.361 2.312 30 40 FEEB N#Cc1ccc(S(=O)(=O)NCCc2cnn(-c3ccccc3)c2)cc1 14198054 AAMHAEIHIBKHSM-UHFFFAOYSA-N 352.419 2.265 30 40 FEEB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)C1(C#N)CCCCC1)C2=O 8352375 BHXMZUKVPRAQDU-KUHUBIRLSA-N 360.458 2.172 30 40 FEEB CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 18199486 DTFLXCQGJIWIBE-ZDUSSCGKSA-N 355.419 2.350 30 40 FEEB C#CCN1C(=O)S/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)C1=O 409233614 LJGJRRXRHFAPBG-AVMBBCFPSA-N 361.375 2.217 30 40 FEEB N#CC1(C(=O)N2C[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)CCCC1 1565554011 OBNYLGQEEIIRLD-JKSUJKDBSA-N 373.478 2.131 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@H]1c1ccccn1 101094359 ICCVGBHJEPMDAJ-GFOMBABLSA-N 367.405 2.214 30 40 FEEB C=C(C)COc1ccc2c(C)c(CC(=O)NCCN(C)C)c(=O)oc2c1 9305471 FZLCAHWSBXRFMQ-UHFFFAOYSA-N 358.438 2.277 30 40 FEEB Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3cccc(F)c3)CC2)n1 96315978 PADYYYXLSGREDQ-UHFFFAOYSA-N 367.428 2.470 30 40 FEEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408535985 PJLNUYKQZOZXKJ-APYUEPQZSA-N 355.394 2.281 30 40 FEEB Cc1ccccc1OCC(=O)N1CCN(c2ccc(N)cc2C#N)CC1 70462162 NJJNDKKDQHTHLF-UHFFFAOYSA-N 350.422 2.177 30 40 FEEB COc1ccc(N2CC(=O)N(/N=C/c3ccccc3C(=O)O)C2=S)cc1 5798422 VFMPJEPMQOPHDZ-VXLYETTFSA-N 369.402 2.361 30 40 FEEB Cc1c(NC(=O)COc2ccccc2C#N)c(=O)n(-c2ccccc2)n1C 3222538 RUHSAMJSJBDXDV-UHFFFAOYSA-N 362.389 2.374 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)cn23)n(C)c1=O 4370431 BIYWRLRGGOETES-UHFFFAOYSA-N 367.384 2.162 30 40 FEEB Cn1c(=O)n(C)c2cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21 408893337 DZUZHMCTPNPGEH-RQZCQDPDSA-N 370.325 2.139 30 40 FEEB COc1ccc(CNC(=O)C(C(C)=O)=C2SC(C(=O)O)S2)cc1 62716070 MSBJIRSPNHMQIG-UHFFFAOYSA-N 353.421 2.003 30 40 FEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 409180384 RDBCYSCLXKOUGI-MEJLAEGVSA-N 352.390 2.091 30 40 FEEB C#CCNC(=O)CNC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 50666966 BUGFDSFEKQSIDM-UHFFFAOYSA-N 358.467 2.085 30 40 FEEB C=CCN1CCO[C@H]2CN(C(=O)COc3cc(F)ccc3F)CC[C@@H]2C1 1565550065 OHPXEVDTPMEKMG-KDOFPFPSSA-N 366.408 2.079 30 40 FEEB C=CCN(C(=O)CN1CCN(Cc2ccccn2)CC1)c1ccccc1 40017914 RYWVNVIWCHVGRR-UHFFFAOYSA-N 350.466 2.418 30 40 FEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1OC 100301909 XMHDEEIHFNLZDA-RRJQSACVSA-N 352.390 2.091 30 40 FEEB CCc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@]2(C=O)NC(=O)OC(C)(C)C)cc1 218661832 SIICYELYPCOWAD-RLFYNMQTSA-N 367.467 2.222 30 40 FEEB C=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 5598693 XBGMKOGCSWCAMI-UHFFFAOYSA-N 354.482 2.416 30 40 FEEB COc1ccc(/C=C/C(=O)N2CC[C@H](Oc3nccnc3C#N)C2)cc1 225803670 NQJABDQGCQTOHP-RRGWEWPQSA-N 350.378 2.050 30 40 FEEB Cc1cccc(NC(=O)C(=O)[C@H]([C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C 1627899 JYENQJXMPABEPI-WBVHZDCISA-N 368.345 2.368 30 40 FEEB COc1cccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 36241168 JYEADFQEUUILIK-FQEVSTJZSA-N 363.373 2.217 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)ccc1O 100545018 HIGSFETWXVOBRR-AMBXKLEYSA-N 352.390 2.322 30 40 FEEB C#CCN1C(=O)S/C(=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C1=O 13892739 ITTMTRQYBWGPGE-ADVUTCEVSA-N 361.375 2.217 30 40 FEEB C=CCN1/C(=N/C(=O)CC2CCCCC2)S[C@@H]2CS(=O)(=O)C[C@H]21 9303355 NGHSJBKEGDXWCM-SZGQWAQFSA-N 356.513 2.240 30 40 FEEB C=CCNc1nc(NCCN)c(C#N)c2c1CN(Cc1ccccc1)CC2 5667873 IYSQEFZSYGQLMR-UHFFFAOYSA-N 362.481 2.480 30 40 FEEB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccnc(C#N)c2)cc1 583623745 QTHYCTHPTWBVRK-AZUAARDMSA-N 351.406 2.474 30 40 FEEB C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@]6([C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]46)[C@H]3CC2=O)[C@@H]1O 263615373 CBOSLVQFGANWTL-LIGVNSEUSA-N 357.494 2.000 30 40 FEEB N#CC1(C(=O)N2C[C@H]3Cc4cnc(N5CCCC5)nc4[C@@H]3C2)CCCC1 1565554027 PFYKLHSVUJIIQN-HZPDHXFCSA-N 351.454 2.259 30 40 FEEB C=CCN1CCO[C@H]2CCN(S(=O)(=O)c3sccc3C)CC[C@H]21 2055745948 UPDAFFYKBYFCMM-CABCVRRESA-N 356.513 2.096 30 40 FEEB CC(C)(C)c1nn2cnnc2n(/N=C/c2c(O)ccc3ccccc23)c1=O 1095675 QWBLXROCZOQNIB-UFFVCSGVSA-N 362.393 2.325 30 40 FEEB CN1CCC(=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1 6169399 ARHOCKKMGZBCLU-UHFFFAOYSA-N 372.521 2.346 30 40 FEEB O=C1[C@H]2O[C@]2(c2cc(Cl)ccc2Cl)C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]12)[C@H]1O[C@H]31 101459587 PTPJTLPLTXWJEC-LIFGCVNTSA-N 351.185 2.389 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCN3CCCC)C1=O 2397564 FFKATIJCJIMSRZ-DTQAZKPQSA-N 353.422 2.497 30 40 FEEB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C#N)c2)cc1 3501794 ZIIMKUYCHJWTHR-UHFFFAOYSA-N 366.406 2.273 30 40 FEEB C=CCNC(=O)[C@H]1N2C(=O)c3c(ccc(OC)c3OC)[C@@H]2SC1(C)C 4081909 VANOXWJOEJTDAY-PBHICJAKSA-N 362.451 2.354 30 40 FEEB biogenic C[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 95398181 UJHKABPEYCKWES-TZMCWYRMSA-N 353.875 2.459 30 40 FEEB N#Cc1cccc(CN2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c1 96063384 CEMCBJOJUDTIAK-UXHICEINSA-N 352.438 2.205 30 40 FEEB C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)s1 5784368 CQMMESHYWGRHIM-SECBINFHSA-N 363.468 2.354 30 40 FEEB C=CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)[C@H]1CCS(=O)(=O)C1 57238848 DDNNGCJBXIKDFE-KRWDZBQOSA-N 361.467 2.088 30 40 FEEB N#Cc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3600646 NBUWHCPJPQKDGQ-OAQYLSRUSA-N 374.400 2.280 30 40 FEEB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 7560278 AFXMKMZBDSXFBJ-FQEVSTJZSA-N 363.373 2.340 30 40 FEEB N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 26227142 WOCZCBMUPRQPPP-IBGZPJMESA-N 367.380 2.186 30 40 FEEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 57362776 XXNBRBQRJQBBKM-UHFFFAOYSA-N 372.812 2.201 30 40 FEEB COCCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1 19593310 XFMFKVDCPXYFSM-UHFFFAOYSA-N 360.417 2.433 30 40 FEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1146835204 PAQABECMQKGAEI-FQEVSTJZSA-N 365.437 2.041 30 40 FEEB Cc1c(C#N)c(NC(=O)CN2CCC(O)CC2)n(Cc2ccccc2)c1C 21671790 GSRCGYMEGUECKP-UHFFFAOYSA-N 366.465 2.420 30 40 FEEB Cc1nc(SCC(=O)NCc2nnc3ccccn23)c(C#N)c(C)c1C 12515692 CPSNYXXKCHUMSM-UHFFFAOYSA-N 366.450 2.330 30 40 FEEB COc1ccc(OC)c(CN2CCN(c3nnc(C)c(C)c3C#N)CC2)c1 29525290 HXXKQFDMKMMRRK-UHFFFAOYSA-N 367.453 2.305 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 101306636 GTVQPKCWCMUUMC-UICBKRPASA-N 366.508 2.330 30 40 FEEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 48548726 NXIIZFSQLVPYIV-UHFFFAOYSA-N 360.439 2.210 30 40 FEEB Cc1c(-c2ccnc(N/N=C/c3ccn(CC(F)(F)F)n3)n2)cnn1C 225391692 FWNMTEFBFSPPQX-IFRROFPPSA-N 364.335 2.390 30 40 FEEB COc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1 96900131 VTMPHROQCDZGEN-CQSZACIVSA-N 373.368 2.237 30 40 FEEB N#Cc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 11229369 NUVWQBHRHDEKHK-UHFFFAOYSA-N 371.418 2.016 30 40 FEEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(CC)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908869 QAXDOHCZUUIXCB-RIFZZMRRSA-N 356.422 2.462 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2cc(OC)ccc2OC)C1=O 9111272 FGLDKBKKTADHNF-NTCAYCPXSA-N 359.382 2.044 30 40 FEEB Cc1nn(CC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c(=O)c(C#N)c1C 7442106 XVEFBTNMCXMHJQ-MRXNPFEDSA-N 368.437 2.212 30 40 FEEB C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(Cl)c3c(c2)OCO3)c1 83881829 OBYRMYXIFJAWAQ-UHFFFAOYSA-N 370.792 2.443 30 40 FEEB Cc1nc(-n2cccc2)sc1C(=O)N1CCc2[nH]c(=O)c(C#N)cc2C1 225683275 SJSFXPHTEYFVJJ-UHFFFAOYSA-N 365.418 2.001 30 40 FEEB COC(CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)OC 5445594 MKNVDTQMHJGXHP-INIZCTEOSA-N 357.362 2.477 30 40 FEEB CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CN2CCC1CC2 593461883 STJDSOZLYWKYJI-INIZCTEOSA-N 362.271 2.416 30 40 FEEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc[nH]c2=O)nc1C 24778820 HYOXTWCHEIZTIQ-UHFFFAOYSA-N 374.451 2.125 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408533233 JQNGRUNUJDZYTA-HFIMFFCGSA-N 355.394 2.154 30 40 FEEB Cc1nnc(/N=C(\O)C2=C(c3ccccc3)S(=O)(=O)CCO2)s1 31820816 SYFCXJUHPXQREB-UHFFFAOYSA-N 351.409 2.248 30 40 FEEB COC(=O)[C@]1(CCC#N)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 247806918 AETMTDBLOFOLKO-MDYRTPRTSA-N 356.422 2.464 30 40 FEEB O=C(O)c1ccc(/C=N\NC(=S)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1 670430010 SPZFCRKWDNONAH-XFQWXJFMSA-N 371.378 2.125 30 40 FEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1146835205 PAQABECMQKGAEI-HXUWFJFHSA-N 365.437 2.041 30 40 FEEB N#Cc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 5153492 XZHYLWFDCKCOPM-UHFFFAOYSA-N 353.403 2.194 30 40 FEEB COc1ccc(-c2nc(NCc3nnc4ccccn34)nc(O)c2C#N)cc1 40129993 YLDUKROPAOJBFA-UHFFFAOYSA-N 373.376 2.384 30 40 FEEB N#Cc1ccccc1-c1ccc(COC(=O)CC[C@H]2NC(=O)NC2=O)cc1 23459635 VKBQWYRALNDFFO-QGZVFWFLSA-N 363.373 2.257 30 40 FEEB C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1 24993129 UBURIRVFVBBBPS-HNNXBMFYSA-N 356.447 2.398 30 40 FEEB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1F 8102283 OEKOSMUDLVOWNH-UHFFFAOYSA-N 356.309 2.279 30 40 FEEB Cc1cc(NC(=O)[C@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)no1 95938958 KOFQEWMQHFICAM-ZDUSSCGKSA-N 357.389 2.143 30 40 FEEB N#C[C@H](C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1nc2ccccc2[nH]1 18067556 JHWPSDWPELTFGM-MELADBBJSA-N 362.389 2.080 30 40 FEEB C=CC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 70669821 LSVIWPNZJIGKRQ-VXAJEVNASA-N 367.513 2.255 30 40 FEEB COc1ccccc1OCC#CCNC(=O)c1cc(-c2ccco2)n[nH]1 90729790 XMKNKDAQIXJOBN-UHFFFAOYSA-N 351.362 2.491 30 40 FEEB COCCNc1c(C#N)c2c(c3nncn13)CN(Cc1ccccc1)CC2 20678023 LRAPSWYVOUGJHR-UHFFFAOYSA-N 362.437 2.218 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2cc(C)n(C3CC3)c2C)c1 25963886 JBXWNMUNAZHHRH-UHFFFAOYSA-N 353.378 2.143 30 40 FEEB C#Cc1c(F)c(F)c(NC(=O)CS(=O)(=O)CC(C)C)c(F)c1F 95444477 PLVZBHCVNBLWOT-UHFFFAOYSA-N 351.321 2.234 30 40 FEEB N#CC1(NC(=O)CSc2nnc(-c3ccccc3)n2N)CCCCC1 3449906 YUFFRFMDWJYGJL-UHFFFAOYSA-N 356.455 2.094 30 40 FEEB CCc1ccc(/C=c2/s/c(=C(\C#N)C(=O)C(C)(C)C)n(C)c2=O)cc1 96851450 KZHXHXUVKVXXFG-JPKKTZJGSA-N 354.475 2.127 30 40 FEEB N#Cc1ccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(F)c1 60197030 LGFYJAXPCYEGMB-UHFFFAOYSA-N 369.425 2.089 30 40 FEEB N#Cc1cc(F)c(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)c(F)c1 576124544 WJTCCYAFUMJOBK-KRWDZBQOSA-N 369.371 2.410 30 40 FEEB O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)Nc2ccc3c[nH]nc3c2)c1 1674827 HJZPLTSCBOOLQL-CAOOACKPSA-N 356.367 2.497 30 40 FEEB COC(=O)c1ccc(C(=O)NCC#CCOc2ccccc2OC)cc1 90610340 YCYDPTCOCAIGBZ-UHFFFAOYSA-N 353.374 2.294 30 40 FEEB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 100640859 AFNKOONVSZGJOW-LJQANCHMSA-N 368.433 2.219 30 40 FEEB C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)NC)cc1 22287227 WWEBUKXVPCRBJC-UHFFFAOYSA-N 350.465 2.485 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 42105730 ANWUHHBKBAZVEK-KRWDZBQOSA-N 353.353 2.007 30 40 FEEB N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCc2ccccc2)cc1 42201093 RQWULKDVVPEXAO-UHFFFAOYSA-N 356.447 2.222 30 40 FEEB C=CCSc1nnc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)s1 23078492 KWIRWAYVYATHBY-SDBXPKJASA-N 356.498 2.209 30 40 FEEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)C)nnc12 3590589 VETCQBZHHRWJIH-UHFFFAOYSA-N 371.466 2.095 30 40 FEEB Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccn1 3295787 YTGAOPMMAWNRAY-UHFFFAOYSA-N 350.407 2.480 30 40 FEEB COc1ccc(/C=N/OCC(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 3268411 HMIQRAFXGXQLIX-RGVLZGJSSA-N 372.377 2.236 30 40 FEEB CCN(CC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NCCCOC 4295514 BKQWXJSUJHAKKE-AWEZNQCLSA-N 355.442 2.236 30 40 FEEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N)nn32)ccc1O 18199821 TXHSQIVHVOCQCS-HNNXBMFYSA-N 355.398 2.233 30 40 FEEB COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1O[C@@H](C)C(=O)O 409232922 JBQPLLIKIZPOJZ-WBFHQNOSSA-N 360.326 2.296 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 32502835 NEVCNDVCSYIWFG-INGRWJPNSA-N 370.471 2.473 30 40 FEEB Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)cs1 548682157 BAESJEVAWPREHF-BBRMVZONSA-N 361.446 2.336 30 40 FEEB COc1ccc(C)cc1CN1CCN(CC(=O)NC2(C#N)CCCC2)CC1 22801223 MVSYPBWUBXAOPW-UHFFFAOYSA-N 370.497 2.074 30 40 FEEB C=CCNC(=O)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C 3523201 IKQPPNOOKPMALJ-UHFFFAOYSA-N 360.366 2.309 30 40 FEEB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccsc2)n2nnnc2N1 35325889 KLXWDEDDGXOLBJ-LBPRGKRZSA-N 373.419 2.121 30 40 FEEB C=CCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 524731661 GJVUVEZYUFEMRH-LJQANCHMSA-N 361.401 2.494 30 40 FEEB biogenic CCOc1ccc(Br)cc1/C=C/C(=O)ON1C(=O)CCC1=O 97940145 XVDKBHSMPDUGNB-FPYGCLRLSA-N 368.183 2.468 30 40 FEEB CCN1C(=O)C(=Cc2ccc(N(C)CCC#N)cc2)C(=O)N(CC)C1=S 16681453 JZYIGGUWAUWKEH-UHFFFAOYSA-N 370.478 2.415 30 40 FEEB C=CCO[C@H]1CCN(C(=O)CCc2cncnc2)[C@H]1Cc1cccnc1 1565549418 QTPCZGQJAZHPIN-OALUTQOASA-N 352.438 2.219 30 40 FEEB C=CC/N=c1\sc(C(=O)Nc2ccc(OC)cc2)cc(=O)n1CC=C 2728042 WGSWNPWHZDQCPA-HNENSFHCSA-N 357.435 2.443 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)cn23)n(C)c1=O 4250585 XEVJNHXIQQOTRI-UHFFFAOYSA-N 363.421 2.250 30 40 FEEB C=CCOC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 8076662 GEQXLKJXRGNFCW-HNNXBMFYSA-N 364.398 2.449 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309633 UJADGYYPDMOHQB-AOWFHRCMSA-N 370.540 2.318 30 40 FEEB Cc1ccc(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1F 101314771 ZMTMOUIRPABKMS-KRGDBVFUSA-N 370.471 2.392 30 40 FEEB CCCCc1nc(N2CCN(CCO)CC2)c(C#N)c2c1COC(C)(C)C2 95473927 BFOIUJXYOQJJBU-UHFFFAOYSA-N 372.513 2.261 30 40 FEEB CSc1nc(NCCN2CCOCC2)c(C#N)c(-c2ccccc2)n1 19820810 WROJKZBDBJZDBK-UHFFFAOYSA-N 355.467 2.481 30 40 FEEB CCOC(=O)c1c(/N=C(\C)Cn2nnc([N+](=O)[O-])n2)sc2c1CCC2 8826745 DJCOTHLUUCBEOZ-OVCLIPMQSA-N 364.387 2.101 30 40 FEEB C=CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 409405975 JCGFZFDHORDCFI-MGBSGCIJSA-N 367.361 2.301 30 40 FEEB C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 331973855 UUJYNCMJCJBPNF-WOJBJXKFSA-N 368.481 2.367 30 40 FEEB Cc1cc(OCC(=O)O/N=C(\N)c2ccccn2)ccc1Br 4174637 HMWYTUYEHAUGFM-UHFFFAOYSA-N 364.199 2.395 30 40 FEEB Cc1ncnc(OC[C@@]23CCC[C@@H]2CN(c2nccnc2C#N)C3)c1C 1888864226 VGGNZSGFNBRXTC-BEFAXECRSA-N 350.426 2.441 30 40 FEEB N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c1 12866793 DXGIGULPBYELRQ-UHFFFAOYSA-N 368.418 2.281 30 40 FEEB COc1ccccc1-n1cnnc1SCC(=O)N[C@](C)(C#N)C(C)C 3450711 MTZWXCVNLDJMTF-QGZVFWFLSA-N 359.455 2.422 30 40 FEEB C=CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 13845173 CAHCUBPQECISKM-SFHVURJKSA-N 372.446 2.254 30 40 FEEB N#Cc1ccc(F)c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 14164835 XSOAYOIKJKXRRL-UHFFFAOYSA-N 373.453 2.345 30 40 FEEB COc1cc(OC)c(OC)cc1/C=N/n1c(S)nnc1-c1cc(C)n[nH]1 5625910 NAGPMJFHDSICMU-CAOOACKPSA-N 374.426 2.173 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl 17028151 NCRDPORGBNIPPH-BREGNPSQSA-N 372.899 2.347 30 40 FEEB Cc1cccc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1C 70462169 IMIHPDPMSLMHDF-UHFFFAOYSA-N 364.449 2.485 30 40 FEEB CS(=O)(=O)N(CC(=O)Nc1cc(F)cc(F)c1)c1cccc(C#N)c1 12750738 IBKWSUBICFJWOJ-UHFFFAOYSA-N 365.361 2.241 30 40 FEEB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 24249975 ZQJWQNUFDIWKFF-UHFFFAOYSA-N 357.435 2.434 30 40 FEEB C=CCNC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 6356977 USICTNWWIPODER-UHFFFAOYSA-N 374.462 2.188 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)ccc1O 100545019 HIGSFETWXVOBRR-SDZYNDAASA-N 352.390 2.322 30 40 FEEB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 97377742 PHUKVJYQZGDXSQ-SUMWQHHRSA-N 370.430 2.360 30 40 FEEB O=S(=O)(/N=C(\O)CC[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 48536408 JRPIOZDITIRWPL-GFCCVEGCSA-N 355.412 2.452 30 40 FEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)ccc1OC 409048999 VKSPXSQVUDDLCK-CXDLLEFQSA-N 366.417 2.481 30 40 FEEB CN(C)CCOc1ccc2c(c1)C/C(=C/c1ncc([N+](=O)[O-])n1C)C2=O 1562700 RXKZAWOROTYWDR-RAXLEYEMSA-N 356.382 2.091 30 40 FEEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 12338824 NHKAVJRAKOMJDN-YVEFUNNKSA-N 353.374 2.351 30 40 FEEB COC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2cccs2)c2ccccc21 1889158 MOSNUUNLCQYQAN-PFONDFGASA-N 354.387 2.411 30 40 FEEB COc1ccc(CCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 58180281 FFVSKSWNAKLJKI-UHFFFAOYSA-N 350.422 2.243 30 40 FEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(O)cc1 102525578 BSTKPOZFEWPUIW-IBOXJLQUSA-N 357.362 2.362 30 40 FEEB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)CCCCC#N 68904313 HIBOHAOQAUEVNJ-AWEZNQCLSA-N 359.492 2.389 30 40 FEEB Cc1nn(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c(C#N)c1C 19299334 AGORYTXAHNHSFJ-LFPRZYRFSA-N 368.481 2.453 30 40 FEEB N#Cc1cnn2c(O)cc(CN3CCOC[C@@H]3c3ccc(F)cc3)nc12 1194400491 ILJRKQRMIXDKQF-MRXNPFEDSA-N 353.357 2.019 30 40 FEEB Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3cccnc3)S2)cc1 6087946 SITNFBGFTPVPDJ-ZROIWOOFSA-N 359.432 2.339 30 40 FEEB Cc1ccc(C(=O)NC2(C#Cc3cncc(C(N)=O)c3)CCCCC2)cn1 12224592 ZTWQPLYMLMUBGL-UHFFFAOYSA-N 362.433 2.368 30 40 FEEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccn2)cc1 13122781 YVFQGWLZSMAUIU-GUYCJALGSA-N 352.390 2.349 30 40 FEEB C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(C(=O)OC)cc3)cc2C1=O 13141549 VYSWOHIBYPFEQU-UHFFFAOYSA-N 365.341 2.474 30 40 FEEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 16741146 KMEWTSGLBSLLAB-QPRSIOOTSA-N 352.481 2.252 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 103911682 TTZRFYFUIJDJDG-GHNGSUTGSA-N 367.401 2.499 30 40 FEEB CCCN1CCN(C/C(O)=N/c2nc(C)c(C(=O)OCC)s2)CC1 23253467 CKRKJNXSLMPXPF-UHFFFAOYSA-N 354.476 2.244 30 40 FEEB COC(=O)C1CCN(C(=O)CSc2nc3c(c(C)c2C#N)CCC3)CC1 12553827 YXEQBDKDOHDPTC-UHFFFAOYSA-N 373.478 2.254 30 40 FEEB N#Cc1cnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1N 22031466 YGQLYBZRZDGBTN-UHFFFAOYSA-N 364.774 2.223 30 40 FEEB N#Cc1ccccc1OCCN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 47349390 WZXVMARKPAYRJG-HXUWFJFHSA-N 363.373 2.167 30 40 FEEB Cn1c(NCc2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c(=O)n(C)c1=O 12750264 NUYDLPXIRVDIGP-UHFFFAOYSA-N 370.796 2.481 30 40 FEEB N#Cc1ccc(OCCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 12808205 NBUCJDKGZDLVIL-UHFFFAOYSA-N 370.317 2.473 30 40 FEEB COC1(OC)NC(=N)[C@]2(C#N)[C@H](c3ccccc3)NC3=C(CCC3)[C@]12C#N 3597112 KJCNTJWPQJELGD-WDSOQIARSA-N 363.421 2.316 30 40 FEEB N#Cc1ccccc1COc1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1 66904934 IFQIDQIKHXAELO-GOSISDBHSA-N 356.447 2.414 30 40 FEEB N#Cc1cnc(N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c(Cl)c1 1888852986 ILZWPCHTQFBLGT-KBPBESRZSA-N 352.781 2.232 30 40 FEEB COCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)S1 7882731 UVKGBZBFXPBHNW-OAHLLOKOSA-N 357.435 2.402 30 40 FEEB C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCCN(c2ccccc2C#N)CC1 65511814 LHJCTUJGHQPPJM-AEFFLSMTSA-N 357.454 2.181 30 40 FEEB C=CCNc1nnc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 9456857 RQAZWYAXBSRKIN-UHFFFAOYSA-N 351.413 2.435 30 40 FEEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3cccc([N+](=O)[O-])c3)c(=O)n2c1 16752258 SKIWKNYZKLBCLH-UHFFFAOYSA-N 373.328 2.087 30 40 FEEB CCOc1cccc2cc([C@@H](C)Nc3c(C#N)c(=O)n(C)c(=O)n3C)oc12 9949986 BSSJDYXMNWHACG-LLVKDONJSA-N 368.393 2.274 30 40 FEEB CC(C)(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 32504629 JIOBYJAFRVSKGL-WBWGMUNBSA-N 370.471 2.473 30 40 FEEB COc1cccc(Cn2[nH]cc/c2=N\C(=O)c2ccc(C#N)cc2)c1OC 101426113 RDPZGQUAQTXXAS-PTGBLXJZSA-N 362.389 2.494 30 40 FEEB C=CCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3295781 QOVDRMPOFVXXQM-UHFFFAOYSA-N 353.451 2.130 30 40 FEEB Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 4248264 OCBBRUHMPQVHLG-ZDUSSCGKSA-N 357.435 2.336 30 40 FEEB C#CCOc1ccc(OC)cc1[C@@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O 4454002 VCVRPAWYFSEOOQ-UHFFFAOYSA-N 368.393 2.362 30 40 FEEB COc1ccc(/C=N/n2c(O)nc3c([nH]c4cc(OC)ccc43)c2=O)cc1 16957024 FIPCSJCUCMFKOH-KEBDBYFISA-N 364.361 2.483 30 40 FEEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 18199416 KRURWLTUXVCWGX-CQSZACIVSA-N 353.378 2.026 30 40 FEEB Cc1nc(Nc2nc(C(=O)O)cs2)cc([C@@H]2CCCN(CC#N)C2)n1 585290539 XWSFUYWONRIPQA-LLVKDONJSA-N 358.427 2.386 30 40 FEEB NC(=S)N/N=C/c1cc(Br)cc(Br)c1O 1107570 KOUSSFCOFUJIJA-KGVSQERTSA-N 353.039 2.084 30 40 FEEB C=CCn1nnnc1NCc1cc(Br)c(OC)c(OC)c1 7601946 OUGWWLDUDRJXRB-UHFFFAOYSA-N 354.208 2.251 30 40 FEEB CCCCn1c(N)c(N(CCC)Cc2cc(C#N)ccc2F)c(=O)[nH]c1=O 11351055 AOVCNVJYCKAWOG-UHFFFAOYSA-N 373.432 2.346 30 40 FEEB C[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccnc2nc(/N=C/N(C)C)nn12 4084198 QGXKHEPKTZTBLE-HPAYWCODSA-N 355.358 2.394 30 40 FEEB C[C@@]12C(=O)N(/N=C/c3cccnc3)CC(=O)N1CCc1c2[nH]c2ccccc12 4045617 AXCCCCJTQLZMPF-OVRHDEQLSA-N 373.416 2.039 30 40 FEEB biogenic O=C[C@@H]1O[C@H](c2ccccc2)O[C@H]1[C@H]1O[C@@H](c2ccccc2)O[C@H]1C=O 5082727 GHAPAWIWLGQUGN-OROIIQQLSA-N 354.358 2.350 30 40 FEEB COC1=C(Cl)[C@](C)(O)c2c(oc(=O)c3c(O)cc(OC)cc23)C1=O 13369690 UMKWAHOXPWRVRW-MRXNPFEDSA-N 352.726 2.008 30 40 FEEB biogenic,in-vitro C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 13581512 JMTOEFDBYJXJBA-UHFFFAOYSA-N 352.456 2.176 30 40 FEEB COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(C)=O)CC3)o2)cc1 21799624 SNPJSYDONHXSOZ-VMPITWQZSA-N 352.394 2.394 30 40 FEEB C=CCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(C)c2)n(C)c1=O 12374075 ADDLJDFMFJLSJT-AWEZNQCLSA-N 365.437 2.179 30 40 FEEB C#CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(OC)cc1 15672692 JEWYUPFLPVZFKJ-JENIJYKNSA-N 370.497 2.092 30 40 FEEB biogenic,in-vitro Cc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(C#N)c3)C2=O)c(C)o1 58193439 GTXCOLDMCBJBEL-IBGZPJMESA-N 366.377 2.174 30 40 FEEB COCc1ccccc1/C(O)=N/S(=O)(=O)N1CCc2ccccc2C1 78530434 MIXUHKVOROXMJW-UHFFFAOYSA-N 360.435 2.441 30 40 FEEB CCc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2(C=O)NC(=O)OC(C)(C)C)cc1 225669203 SIICYELYPCOWAD-MPGHIAIKSA-N 367.467 2.222 30 40 FEEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCCC[C@@H]3CO)C(=O)O[C@@H]1C2 6623744 VQSWXEJDECKEJC-KJZYVHILSA-N 363.498 2.360 30 40 FEEB COc1ccccc1C(=O)N1CCCN(c2nnc(C)c(C)c2C#N)CC1 57142382 AYOBEGPXRJDBOG-UHFFFAOYSA-N 365.437 2.326 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 101301136 PDXHWEYEOZMVCB-NZQCTYEBSA-N 358.872 2.351 30 40 FEEB COc1ccc(OC)c(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c1 12637039 BHBLRUVTCZUINC-IUXPMGMMSA-N 355.346 2.184 30 40 FEEB biogenic N#Cc1c(COC(=O)CNC(=O)NCc2ccccc2)cn2ccccc12 48301397 DSAADZQPLZHZEA-UHFFFAOYSA-N 362.389 2.354 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(C)cc1 32503302 CHTWOYPTJAOAHM-BKJYESAMSA-N 352.481 2.002 30 40 FEEB CN1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 230071193 PYQHUAKAECCZRV-IRLDBZIGSA-N 365.477 2.481 30 40 FEEB CCOC(=O)C(=NNC1=C(C)[C@H](C)[C@H](c2ccccc2)C1=O)C(=O)OCC 1554503573 NZWQMTSDGMDDKG-SWLSCSKDSA-N 372.421 2.335 30 40 FEEB C=CCNC(=S)N/N=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 2123639 RIUBRIVOQLIXJI-DJKKODMXSA-N 373.390 2.327 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccccn1 101094361 ICCVGBHJEPMDAJ-BLGFXRMMSA-N 367.405 2.214 30 40 FEEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(C)=O)CC4)[C@H]3C[C@@H]12 20612391 UIGGMXAEKSOOLI-WVXKDWSHSA-N 360.498 2.465 30 40 FEEB biogenic CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC#N)CC2)cc1 20992788 HJDKSWLYJSKECR-UHFFFAOYSA-N 350.440 2.277 30 40 FEEB COCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2272924 ZJZIAAAFQIVBFU-AWEZNQCLSA-N 354.410 2.417 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 5573038 WLPBEPHDACUUEX-QPRSIOOTSA-N 352.481 2.084 30 40 FEEB C=CCn1c(N)cc(=O)nc1S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 4813594 JDWHWBHNKKBZNX-GFCCVEGCSA-N 372.450 2.333 30 40 FEEB COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)c1OC 9578489 PBYKELMZDJEGQM-HNNXBMFYSA-N 355.398 2.348 30 40 FEEB C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc(F)c2)c1 32750782 IOVDJRYSPMAXOG-UHFFFAOYSA-N 362.426 2.263 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 95915231 JODBWCZJRQWQKS-OVZRNVPMSA-N 352.481 2.334 30 40 FEEB C#CCOc1ccc(CCNS(=O)(=O)N(C)C2CCCCC2)cc1 66873094 UXPPFCVXGJJVQQ-UHFFFAOYSA-N 350.484 2.340 30 40 FEEB C=CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 2629035 XMCKCXJWGARIDJ-VIFPVBQESA-N 365.846 2.460 30 40 FEEB COCCNC(=S)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 3374212 FHSKUURLQJGKPI-HEHNFIMWSA-N 368.462 2.048 30 40 FEEB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@H]3N3CCCN23)cc1 19169562 BEKUHNVFELTGNQ-AQNXPRMDSA-N 372.428 2.402 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@@H](C#N)C(=O)N3)CC1 72445291 NEMHICDAHOBYLO-CABCVRRESA-N 363.421 2.230 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1CN(C)C 9917363 YBXKUFZFKIUHTG-UHFFFAOYSA-N 366.465 2.174 30 40 FEEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 843920 ALMSAKVLWYRAAH-CQSZACIVSA-N 358.350 2.449 30 40 FEEB CN(C)C[C@@H](/C(Cc1ccccc1)=N/NC(=S)NN)c1ccccc1 17211443 WRKAJEFZCXGQOX-SFAXUQRRSA-N 355.511 2.268 30 40 FEEB CCC[S@@](=O)CCCN(CC)C[C@H](O)COc1ccc(C#N)cc1 1546931 ZMHOBBKJBYLXFR-XDHUDOTRSA-N 352.500 2.169 30 40 FEEB in-man C=CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1ccccc1 20059094 WVFVEGCATABCCP-IKVWTGGYSA-N 372.417 2.185 30 40 FEEB C=CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccccc1 101047719 WVFVEGCATABCCP-WIRSXHRWSA-N 372.417 2.185 30 40 FEEB Cc1cccc(CN2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 23254260 RRXTUCXYTRUTCN-OAQYLSRUSA-N 365.477 2.424 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 101305983 PJCZQMMZVJADLU-BREGNPSQSA-N 356.444 2.227 30 40 FEEB COc1cccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(C)cc43)c2=O)c1O 13550471 MTQFIKZTGHLMRN-AWQFTUOYSA-N 364.361 2.076 30 40 FEEB N#Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4504616 CNHGNZZAGCXYTG-UHFFFAOYSA-N 367.380 2.203 30 40 FEEB C=CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)C1=COCCO1 7814712 XHYOYZLXXYAIDK-UHFFFAOYSA-N 357.815 2.348 30 40 FEEB C=CCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 408705261 AQSIKMHBKDMIFV-UHFFFAOYSA-N 352.456 2.032 30 40 FEEB N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1N1CCOCC1 64196678 LVRLTKICJKKBJG-UHFFFAOYSA-N 371.418 2.252 30 40 FEEB N#CC1(C(=O)N2CCc3ccc(C(=O)NCC4CC4)n3CC2)CCCC1 1565544100 DCRCAMBEBLFYIU-UHFFFAOYSA-N 354.454 2.097 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccncc1 5799861 XGIWDOYBAWWNRQ-GHNGSUTGSA-N 365.433 2.455 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccco2)[C@@H]1c1ccncc1 20218963 DIHNOGDPVPVRJC-XUMHUXPDSA-N 367.405 2.214 30 40 FEEB O=[N+]([O-])c1ccccc1/C(O)=N/c1nnnn1/N=C/c1ccc(F)cc1 717860 CWSVZMYNGWTVJX-RQZCQDPDSA-N 355.289 2.239 30 40 FEEB C[C@]1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCCO1 79069555 LNWYGDUBPLQYRZ-LJQANCHMSA-N 371.416 2.083 30 40 FEEB C=CCNc1nc(C(=O)OCC(=O)NCc2cccc(OC)c2)cs1 7737242 YLQGVRNKWRQJOB-UHFFFAOYSA-N 361.423 2.223 30 40 FEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 101313037 UTIBLNXEZQIYCS-FZJVYVCZSA-N 352.481 2.315 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(O)\C=C\c2ccco2)[C@@H]1c1ccccn1 20566821 YSFCZBYVGPBWCE-FSRJOMJWSA-N 367.405 2.214 30 40 FEEB CCCCn1c(S[C@@H](C)C(=O)Nc2sccc2C#N)n[nH]c1=O 12912285 OLQFDDYJGAGMHI-VIFPVBQESA-N 351.457 2.424 30 40 FEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 5341936 CEACFUDOXMKWEQ-OJVXUPTESA-N 356.444 2.227 30 40 FEEB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)COc1ccccc1C#N 6578936 LYRXNRUEZNKPAB-AWEZNQCLSA-N 350.374 2.458 30 40 FEEB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 8412499 WGGPSOUFHUKSCL-UHFFFAOYSA-N 369.446 2.013 30 40 FEEB Cc1ccc(N2C(=O)[C@H](/C=N\Nc3ccccc3)C(=O)NC2=S)cc1 408757165 VFCOSZIVFFMNNJ-MXDDHBLUSA-N 352.419 2.457 30 40 FEEB CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2)[C@@H](C#N)C(=O)N3)CC1 72445293 NEMHICDAHOBYLO-HUUCEWRRSA-N 363.421 2.230 30 40 FEEB C=CCN1CCN(Cc2cc(-c3ccc(F)cc3)cn3nnnc23)CC1 72392356 BOBBGKCLYGYCMG-UHFFFAOYSA-N 352.417 2.234 30 40 FEEB N#Cc1ccc(OC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 40266468 OECWXHKCVSVYDI-UHFFFAOYSA-N 355.371 2.277 30 40 FEEB C#CCN(C)Cc1nc(C2(O)CCN(Cc3ccccn3)CC2)cs1 225469827 PAGABLYKRXWUAB-UHFFFAOYSA-N 356.495 2.087 30 40 FEEB biogenic,in-vitro CSc1nc(-c2ccccc2)c(C#N)c(N2CCC(C(N)=O)CC2)n1 19820828 NPZBKWKWNTUWBQ-UHFFFAOYSA-N 353.451 2.439 30 40 FEEB N#CC1(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2N)CCCCC1 21171645 WOGVDOJTBLFSDA-UHFFFAOYSA-N 374.445 2.233 30 40 FEEB C=C(C)CN1CCN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC1 22916130 HBTWRGKICADIBC-UHFFFAOYSA-N 357.498 2.382 30 40 FEEB Cn1ccnc1CN(C1CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58166331 LZTBUKKFSGFQSA-UHFFFAOYSA-N 350.831 2.298 30 40 FEEB Cc1ccc(CN2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101301817 FDUFFMCEMHPSFI-YTRIFDNDSA-N 364.492 2.002 30 40 FEEB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OCc1ccccc1C#N 113834626 UCKQRGYWAMTWIK-OVCLIPMQSA-N 365.414 2.491 30 40 FEEB N#Cc1c(COC(=O)CNC(=O)c2cccc(F)c2)cn2ccccc12 14852448 GZHDOUJIHOAQJT-UHFFFAOYSA-N 351.337 2.423 30 40 FEEB O=C(C[C@H]1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccc(F)cc1 9514026 SSPHKQCHFXYJGL-DGURAOSJSA-N 371.397 2.171 30 40 FEEB COc1c(O)c2c3c(c1O)C(=O)[C@@]1(O)C(=C3C(C)=CC2=O)O[C@@H](C)C1(C)C 14615021 PKJJEYCUTMFGJW-FFVOIRBGSA-N 372.373 2.332 30 40 FEEB biogenic N#Cc1cccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c1 6111310 KIVSSHJQVCXJKP-UHFFFAOYSA-N 350.403 2.457 30 40 FEEB N#Cc1cnc(N2CCN(c3nc(O)cc(C4CC4)n3)CC2)c(Cl)c1 1888866811 VAWPZLONPNKWDB-UHFFFAOYSA-N 356.817 2.306 30 40 FEEB C=CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2C)n(C)c1=O 4249514 LFPGSLILLWXDAD-CYBMUJFWSA-N 365.437 2.179 30 40 FEEB O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)o1 695840 SVBZSTFCPUIANE-NTUHNPAUSA-N 374.172 2.263 30 40 FEEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(C(=O)OC)c1 8254609 INOPSFKGBHUBJL-GRDNDAEWSA-N 357.479 2.103 30 40 FEEB biogenic,in-vitro C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1[N+]([O-])(CC)C5)[C@@H]3CC2=O 100770580 YAFVVJNTIALWDB-HSCMCWPQSA-N 373.493 2.013 30 40 FEEB N#Cc1cccc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)c1 6151282 DJFZGGXVOFBUDY-UHFFFAOYSA-N 371.780 2.123 30 40 FEEB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C#N)cc1 5615703 NJSXKHUMFPBLPK-UHFFFAOYSA-N 359.407 2.069 30 40 FEEB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N\[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408533236 JQNGRUNUJDZYTA-OVWVXVKOSA-N 355.394 2.154 30 40 FEEB O=c1ccc(-c2ccccc2)nn1C/C(O)=N/c1nc([C@@H]2CCCO2)n[nH]1 95475862 USJUTQNGXGHJRN-AWEZNQCLSA-N 366.381 2.168 30 40 FEEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(O)nc(O)c32)ccc1O 18101184 PGZYBLSMZMJSLO-ZDUSSCGKSA-N 355.350 2.167 30 40 FEEB N#CC1(C(=O)N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)CCCC1 1565550276 XDCGQGHCQCLEOA-PMPSAXMXSA-N 359.401 2.442 30 40 FEEB N#Cc1cn(C2CC2)c(=O)n(Cc2ccc(OC(F)(F)F)cc2)c1=O 29750789 AFTOZWMYJVNWHS-UHFFFAOYSA-N 351.284 2.163 30 40 FEEB CCOC(=O)CCc1c(C)nc(/N=C(\N)Nc2ccc(C)cc2C)[nH]c1=O 20477912 JYQWLTUALCLYNP-UHFFFAOYSA-N 371.441 2.249 30 40 FEEB C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 12900115 NHDJXRCRIOPCQH-HNAYVOBHSA-N 363.421 2.229 30 40 FEEB CN(Cc1cc(C#N)ccc1F)C(=O)CN1CC[C@H](Oc2ccccn2)C1 83862027 RBYNHFKUJAHNFK-KRWDZBQOSA-N 368.412 2.204 30 40 FEEB N#Cc1cccc(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)c1 96259569 BTPZAXBSZIFAHF-UHFFFAOYSA-N 364.453 2.182 30 40 FEEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@H]1Cc2ccccc2C(=O)O1 5032220 MUBUHCKEZAWPFC-HNMKQIAWSA-N 358.419 2.431 30 40 FEEB N#CCOC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 6228433 UYBVMZKZVKFNMI-UHFFFAOYSA-N 364.810 2.499 30 40 FEEB N#Cc1ccc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)nc1 2298051625 CRPZFFUVRMSNMY-UHFFFAOYSA-N 361.405 2.391 30 40 FEEB C[C@@H]1CCc2c(sc(NC(=O)CCN3C(=O)NC(C)(C)C3=O)c2C#N)C1 32722048 IFAFCSLDUUUANF-SNVBAGLBSA-N 374.466 2.404 30 40 FEEB O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1 24506219 OLSMXJXUKKVGCS-UHFFFAOYSA-N 371.322 2.463 30 40 FEEB COc1ccc(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c(O)c1 28680920 USTDZTGXCGWMQC-KRWDZBQOSA-N 352.346 2.235 30 40 FEEB C=CCNC(=O)CCCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 2430502 ACETURSXCKQQSC-UHFFFAOYSA-N 361.398 2.387 30 40 FEEB CN(C)S(=O)(=O)c1cccc(N/C(S)=N\N=C\c2ccco2)c1 13638226 AGGKTSDUSOKKDG-XNTDXEJSSA-N 352.441 2.262 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5358909 LYPVMMRJEWRGLK-UHFFFAOYSA-N 363.468 2.445 30 40 FEEB C#CCN(C(=O)NC(=S)c1cccnc1)c1ccc(C(=O)OC)cc1 408733333 XODDIYZQTWZFPX-UHFFFAOYSA-N 353.403 2.393 30 40 FEEB COc1nccc(NCc2cccnc2N2CCCN(C)CC2)c1C#N 67433803 FAHUWBCGWARQTB-UHFFFAOYSA-N 352.442 2.111 30 40 FEEB C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC(=O)N(CCC#N)CCC#N 72311048 RLAZCMRQDASEKQ-SGANQWHYSA-N 360.483 2.073 30 40 FEEB Cc1ccc(B2OB(c3ccc(C)cc3)OB(c3ccc(C)cc3)O2)cc1 169807407 YIAIFWGNIWYFPC-UHFFFAOYSA-N 353.832 2.161 30 40 FEEB CN(C)c1ccc(C2CC(=O)C(=CNCCc3c[nH]cn3)C(=O)C2)cc1 100432838 DDQRHEKWDFXTTR-UHFFFAOYSA-N 352.438 2.208 30 40 FEEB Cc1cc(C)n([C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 79019148 SJLVADSIOMRNBR-HUUCEWRRSA-N 361.446 2.032 30 40 FEEB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccc(CC#N)cc2)C1=O 58217400 WGALBTOZHWHSAI-GOSISDBHSA-N 368.418 2.220 30 40 FEEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1[C@@H]1C[C@@H]2CC[C@@H]1C2 101309746 DBMHIDLKZJEAQN-MSHDCXPGSA-N 370.540 2.318 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1OC 100199953 WMVSNTSUKSHDGJ-OZNRZJMQSA-N 352.390 2.091 30 40 FEEB CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)NCCC#N)c1 12793314 MIYDGWLKNKRUOY-UHFFFAOYSA-N 357.435 2.151 30 40 FEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(OC)c1 5370907 CEYIAPZASAIFQH-SZGQWAQFSA-N 368.480 2.097 30 40 FEEB N#Cc1cc2c(N)c(C(=O)NC3=N[C@@H]4C=CC=C[C@@H]4S3)sc2nc1N 39398395 GHSVPJJJQSKDKM-ZJUUUORDSA-N 368.447 2.028 30 40 FEEB CCN1CCCN(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC1 1776007514 IXEUUJZEXPQSES-UHFFFAOYSA-N 363.311 2.398 30 40 FEEB N#Cc1ccc(CC(=O)N2Cc3nccn3C[C@@H](CN3CCCC3)C2)cc1 1614935403 WLERFJUNRIPLTP-LJQANCHMSA-N 363.465 2.052 30 40 FEEB C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C#N)cc1 40132943 MTQGBMKGKDVSGI-CQSZACIVSA-N 367.430 2.222 30 40 FEEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(CC)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908875 QAXDOHCZUUIXCB-SYNHAJSKSA-N 356.422 2.462 30 40 FEEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 6565610 XHXTXPZKHYYZIG-OAHLLOKOSA-N 358.781 2.306 30 40 FEEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(O)c(O)c1 49550544 WHJDQKIKXICVGP-INIZCTEOSA-N 355.350 2.103 30 40 FEEB FC(F)(F)C(F)(F)C(F)(F)c1nnc2ccc(N3CCOCC3)nn12 4525042 OBSMCEMJAVGBFT-UHFFFAOYSA-N 373.232 2.250 30 40 FEEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)[C@@H]1CCS(=O)(=O)C1 67982317 OZDNFEWQNXLZOH-OHTQGHCMSA-N 366.508 2.331 30 40 FEEB CCCN(Cc1ccc(C)cc1)C(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O 7534845 PFDWRTUQBBSDFE-UHFFFAOYSA-N 368.393 2.375 30 40 FEEB CCO[C@H](C)n1cc([C@H]2[C@@H]3C(=O)CC(C)(C)C[C@H]3O[C@@H](N)[C@H]2C#N)cn1 408717911 HMTDBNOQQCQJMQ-NYCLHFLISA-N 360.458 2.350 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(F)c1 32635455 RODKDQNMPQCUIK-YXEAAEFPSA-N 356.444 2.146 30 40 FEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)[C@]2(C#N)C=O)cc1 218164106 XRCVMIFHAINYGN-QRVBRYPASA-N 369.398 2.372 30 40 FEEB C[C@H]1CN(Cc2ccccc2)CCCN1/C(O)=N/CCc1ccn(C)n1 329514584 LXRSWUKYBQSYFS-KRWDZBQOSA-N 355.486 2.473 30 40 FEEB Cn1cnc(CN2CCCC[C@H]2c2cnc(Nc3ccc(C#N)nc3)cn2)c1 585294678 TXTMGFNIZYYGEY-IBGZPJMESA-N 374.452 2.948 30 40 FEEB CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)[C@@H](C#N)C(=O)OCC 1758796 RKEGILHUIYDUHE-HUUCEWRRSA-N 361.394 2.215 30 40 FEEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccncc1 4857900 JXUHHWAMXZLMLM-AWEZNQCLSA-N 359.455 2.217 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 101317388 ZRVIAQNUNWXELW-UWLOGMJLSA-N 358.872 2.351 30 40 FEEB CN(CC(=O)NC1CC1)C(=O)CNc1cccc(C#Cc2cccs2)c1 29941074 MPZVQFNYGXBLIN-UHFFFAOYSA-N 367.474 2.297 30 40 FEEB CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(Nc2cccnn2)CC1 96003060 AQCXBPAUNRMYEF-LJQANCHMSA-N 373.457 2.141 30 40 FEEB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O 5167950 FIKBGLLPDAENHL-QGZVFWFLSA-N 374.828 2.060 30 40 FEEB C/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)NC(=O)CO2 96291439 MYFWWWWLVDPARO-YBFXNURJSA-N 359.407 2.257 30 40 FEEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)NC1=S 408903822 ZYEHNQIVFKJVPC-UXBLZVDNSA-N 366.826 2.170 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N\Cc2ccccc2)C1=O 408534595 MJBUJLFJTGFAMZ-GQFJFNLSSA-N 351.362 2.165 30 40 FEEB CC(C)(C)OC(=O)N[C@@]1(C=O)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Cl)cc1 218657315 MRGPIPIRANVGLC-HEHGZKQESA-N 373.858 2.313 30 40 FEEB COc1cc2c(cc1OC)CCN(C(=O)Cc1noc(C)c1C#N)CC2 611527692 XWHGEIPEQAGEKE-UHFFFAOYSA-N 355.394 2.042 30 40 FEEB CCOC(=O)c1c(-c2ccco2)c(C#N)c(=O)n2c1NC1(CCCC1)N2 5460527 IARZUSSZJISRAY-UHFFFAOYSA-N 354.366 2.396 30 40 FEEB Cc1cc(C)nc(/N=C(\N)N2CCN(c3nsc4ccccc34)CC2)n1 16283477 CRGFGMBWTKENQP-UHFFFAOYSA-N 367.482 2.472 30 40 FEEB CN(Cc1cccc(C#N)c1)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 25101170 QUBVHQSMRHHCKL-UHFFFAOYSA-N 358.401 2.435 30 40 FEEB C#CCCN1CCN(C(=O)c2cccnc2SCc2cc(C)on2)CC1 58314546 ALWABTBAKOHSKC-UHFFFAOYSA-N 370.478 2.451 30 40 FEEB COc1ccc(O)c(C(=O)c2cnc3c(C#N)c(N4CCCC4)nn3c2)c1 14160695 XWUOBXDCFJSMQZ-UHFFFAOYSA-N 363.377 2.146 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1C 5486805 SXNCFKPVHORKBH-XKJOCENUSA-N 358.872 2.270 30 40 FEEB COc1ccc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)cc1OC 4812414 UUMKZAWGASTNQO-XDHOZWIPSA-N 357.414 2.085 30 40 FEEB COc1ccc(C)cc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 84131348 REAZDLJZIMWTSZ-UHFFFAOYSA-N 363.391 2.468 30 40 FEEB C#CCOc1c(OC)cc(Br)cc1[C@@H]1N[C@H](C(=O)O)CS1 408815851 VHQXUMJIOQHIPR-GXFFZTMASA-N 372.240 2.258 30 40 FEEB Cc1cc(N/N=C/c2ccco2)nc(NS(=O)(=O)c2ccc(N)cc2)n1 33707327 MAMIMNIXGVYGHO-VCHYOVAHSA-N 372.410 2.207 30 40 FEEB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(CC#N)cc1 226060227 KAHUTCWJRBVCCO-UHFFFAOYSA-N 371.462 2.195 30 40 FEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2nc3ccccc3s2)C1 225800295 ZJKHIHIYUYJYQQ-NSHDSACASA-N 351.391 2.251 30 40 FEEB N#Cc1ccccc1S(=O)(=O)N[C@H](c1cccnc1)C1CCOCC1 225624996 KSWPOAYJRZBPRE-SFHVURJKSA-N 357.435 2.399 30 40 FEEB C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575420356 BCJAHBBOTRVAQI-QGZVFWFLSA-N 371.524 2.366 30 40 FEEB Cc1cc(Cl)nc(N/C=C2/C(=O)c3sccc3N(C)S2(=O)=O)n1 109665725 RYMNILTZGSGLAW-TWGQIWQCSA-N 370.843 2.416 30 40 FEEB N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(C[C@@H]2CCCO2)c1=O 4163297 VWQXIFQOTYLMML-AWEZNQCLSA-N 358.781 2.489 30 40 FEEB N#CC1(C(=O)N2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)CCCC1 1565552640 QWYLMSKWTUJIKF-HNAYVOBHSA-N 355.442 2.123 30 40 FEEB C=CCNC(=O)[C@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C 21603219 XJNAMIMUWFSGEU-SMDDNHRTSA-N 360.439 2.110 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1S(C)(=O)=O 22532340 NJXYLNAYHRZNGQ-UHFFFAOYSA-N 358.419 2.258 30 40 FEEB C=CCNC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 6295773 LLUOWYIXORXLLR-UHFFFAOYSA-N 358.463 2.400 30 40 FEEB C=C(C)C1(n2[nH]c(=O)n(C)c2=O)[C@@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 101049652 SEVZBARAHBYXQQ-HTQZYQBOSA-N 369.318 2.378 30 40 FEEB CCc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4318794 RDDMGLHUBKAVJO-MRXNPFEDSA-N 365.433 2.211 30 40 FEEB C=CCNC(=S)N/N=C/c1ccc(OCC(=O)OCC)c(OCC)c1 6554175 CAAYLECMJCXTEQ-YBFXNURJSA-N 365.455 2.011 30 40 FEEB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccccc2C#N)C1=O 7006490 HDUGQCXYZLDMNA-FQEVSTJZSA-N 363.373 2.297 30 40 FEEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4ccccc4[N+](=O)[O-])c3nc12 16742013 OMRMJWLFEBNQBN-UHFFFAOYSA-N 373.328 2.087 30 40 FEEB CN1C(=O)/C(=C/c2cc(Br)ccc2OCC#N)N(C)C1=S 409031622 HPZNPZDFAYROKM-FLIBITNWSA-N 366.240 2.381 30 40 FEEB C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 242945669 HECFTEZHKCCECE-UHFFFAOYSA-N 372.874 2.052 30 40 FEEB N#Cc1cccc(N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)n1 1775994996 DAGMIAJQYIBKEV-UHFFFAOYSA-N 374.452 2.375 30 40 FEEB Cc1nocc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1 585101617 SHXKUMGXMFALIC-LJQANCHMSA-N 350.378 2.124 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCOc2ccccc21 14159421 JOCFCPUBGZRXFW-QGZVFWFLSA-N 351.406 2.436 30 40 FEEB O=C(O)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 4739410 IDJARYAGKBNGHJ-FVOVHSBVSA-N 367.386 2.151 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1OC 5516582 QBBLIJOQVHKVNU-SXLZIHSGSA-N 368.480 2.015 30 40 FEEB CCN(CC(=O)NCc1cccs1)C(=O)COc1ccccc1C#N 5938240 PGMCDVCMDFGJKV-UHFFFAOYSA-N 357.435 2.163 30 40 FEEB Cc1cc2cc(C#N)c(NCCCNC(=O)/C=C/C(=O)O)nc2cc1C 35312851 DWQRXDMZDSIGJU-SNAWJCMRSA-N 352.394 2.282 30 40 FEEB C=CCNC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl 39985243 MKFIILIOLMGMHF-UHFFFAOYSA-N 351.255 2.306 30 40 FEEB N#CCSc1nnc2c(=O)n(-c3ccc(Br)cc3)ccn12 46047775 MQZQLZIJPCCAGC-UHFFFAOYSA-N 362.212 2.258 30 40 FEEB O=C1CCc2cc(S(=O)(=O)/N=C(\O)CC[C@@H]3CCCO3)ccc2N1 48644449 LTFIWBBUPSABOJ-LBPRGKRZSA-N 352.412 2.176 30 40 FEEB CCOC(=O)c1sc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c(C#N)c1C 78995842 MOAOKZFFRVSBDJ-PHIMTYICSA-N 365.455 2.153 30 40 FEEB COc1ccc(C/C(N)=N/OC(=O)c2cc(OC)c3c(c2)OCCO3)cc1 85413297 VCOVBJARNGXRBP-UHFFFAOYSA-N 372.377 2.147 30 40 FEEB C[C@H](Oc1ccccc1)C(=O)NCC#CCOc1ccc2c(c1)OCO2 90610506 PERWVYFOMBMRRE-HNNXBMFYSA-N 353.374 2.381 30 40 FEEB CCCCCCCCN1C(=O)/C(=C\NCCCOC)C(=O)NC1=S 103009921 KTOHZLMIVGIJLO-YPKPFQOOSA-N 355.504 2.100 30 40 FEEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 26299047 MQPKVVRHFFAPAD-LIRRHRJNSA-N 352.442 2.069 30 40 FEEB C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 11689718 OGCMPUJYGJTHNQ-UHFFFAOYSA-N 371.462 2.254 30 40 FEEB C=CCOc1cc(Br)c(/C=C2\NC(=O)NC2=O)cc1OC 15012640 GLEHAWXNPUCGQK-YHYXMXQVSA-N 353.172 2.203 30 40 FEEB CCSc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cn1 72309886 ACRWFDONJPUKDM-UHFFFAOYSA-N 363.487 2.273 30 40 FEEB N#Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537692 WRKGWLSZBPBFDS-ZDUSSCGKSA-N 350.309 2.299 30 40 FEEB C=CCN1C(=O)N/C(=C/c2cn(CC(=O)OCC)c3ccccc23)C1=O 39556676 UNWRTTPXJJMZBL-XNTDXEJSSA-N 353.378 2.283 30 40 FEEB N#Cc1ncn(CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)n1 21915164 XWYFTUICSXMWAS-MRXNPFEDSA-N 355.448 2.447 30 40 FEEB CO[P@](=O)(O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 5431545 JDDDOMYDORMKPB-NXVVXOECSA-N 368.351 2.467 30 40 FEEB Cc1ncnc(OC[C@]23CCC[C@H]2CN(c2nccnc2C#N)C3)c1C 1888864228 VGGNZSGFNBRXTC-HNAYVOBHSA-N 350.426 2.441 30 40 FEEB C#CCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cc(Cl)ccc21 100875947 YBHAQVPRKTYEOT-VLGSPTGOSA-N 360.826 2.473 30 40 FEEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 3372225 HZWNGVCZSSYJSN-UHFFFAOYSA-N 355.419 2.432 30 40 FEEB C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 58193152 UNEFCEAMLFEMHG-LBPRGKRZSA-N 369.874 2.139 30 40 FEEB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(OCC(N)=O)cc1 96688295 CYFCDZXVJBAWSS-HMGLBJTLSA-N 354.435 2.429 30 40 FEEB N#Cc1ccccc1NC(=O)CCN1CCN(C(=O)c2cccs2)CC1 24673645 RKDNALAVHSMTGO-UHFFFAOYSA-N 368.462 2.406 30 40 FEEB CCS(=O)(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225670810 AAMZJKGABLTRPA-GRDNDAEWSA-N 371.430 2.189 30 40 FEEB C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(C)cc2)CC1 96181275 KJPJVCQAWZNXEU-AZUAARDMSA-N 355.482 2.281 30 40 FEEB C/C(=N\NC(=S)N1CCN(Cc2ccccc2)CC1)c1ccccn1 5639469 ROPXVKRXIUKKFN-LTGZKZEYSA-N 353.495 2.498 30 40 FEEB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2ccccc2C#N)cc1 14772317 LWPINKKSRURZQL-AWEZNQCLSA-N 358.419 2.277 30 40 FEEB CS(=O)(=O)N1CCCc2cc(C(=O)Oc3ccc(C#N)cc3)ccc21 19677403 XKBGGMSIDILPGM-UHFFFAOYSA-N 356.403 2.490 30 40 FEEB CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1cccc(C#N)c1 7217095 QTRRTRFYDHIKQT-UHFFFAOYSA-N 373.434 2.216 30 40 FEEB COCCNc1nnc(SCC(=O)Nc2oc(C)c(C)c2C#N)s1 8748523 UNCWJAJDHVULOT-UHFFFAOYSA-N 367.456 2.409 30 40 FEEB O=c1c2ccccc2nc2n1CCO/C2=N\Nc1ccc([N+](=O)[O-])cc1 27525524 CQRDJOJYQMSQAT-SILNSSARSA-N 351.322 2.109 30 40 FEEB C=CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CCS(=O)(=O)C1 84081346 BCJPMCCWARXUNX-INIZCTEOSA-N 373.478 2.304 30 40 FEEB COc1ccc(SCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 7451521 KRGPLSUYPXUARJ-QGZVFWFLSA-N 350.440 2.385 30 40 FEEB COCCn1c(=O)[nH]c2cc(/C(O)=N/Cc3ccc(C)cc3)ccc2c1=O 34855113 JZYRKDJVGJQMPK-UHFFFAOYSA-N 367.405 2.149 30 40 FEEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)CO)cc1 225637726 GULZMGUKVRZKRD-OTWHNJEPSA-N 357.431 2.446 30 40 FEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4284992 JZRZBPUMOFEQER-FQEVSTJZSA-N 355.438 2.195 30 40 FEEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4OC)c(O)nc3c2c1 2296725 FDGVEGVFLZKPHB-KEBDBYFISA-N 364.361 2.483 30 40 FEEB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N 9337072 BPJOODBZGJBIPZ-SECBINFHSA-N 372.312 2.372 30 40 FEEB CC1(C)OB(C2CCN(C(=O)NC[C@H]3[C@@H]4COC[C@H]34)CC2)OC1(C)C 1776007407 AHOHTOCUSZWFRI-QKDCVEJESA-N 350.268 2.147 30 40 FEEB CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 614784912 WLSYESCLXHTOAI-MRXNPFEDSA-N 356.430 2.095 30 40 FEEB C=CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 575420201 AOFGPUWNFAJUHS-MRXNPFEDSA-N 357.497 2.057 30 40 FEEB Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1nc(N)ncc1[N+](=O)[O-] 5447123 HTXOMJQNDZNYBK-UFWORHAWSA-N 352.358 2.216 30 40 FEEB CN(C)c1ccnc(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)n1 1888869876 SMDFHIJHOOKGMF-UHFFFAOYSA-N 363.469 2.015 30 40 FEEB N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1Cl 2645838 NSSHUYKVMCZFOH-UHFFFAOYSA-N 360.801 2.405 30 40 FEEB C=CCNC(=O)NC(=O)CSc1nnc2cc(C)c3ccccc3n12 4843496 GDVDNHLSARRQIR-UHFFFAOYSA-N 355.423 2.295 30 40 FEEB C#Cc1cccc(N(CC(=O)NC)C(=O)c2oc3c(c2C)C(=O)CCC3)c1 69124021 RIPIORHYUWGOEB-UHFFFAOYSA-N 364.401 2.481 30 40 FEEB COc1ccccc1C/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408534982 NEKADWMBDBCLJG-GKXUUXLPSA-N 365.389 2.474 30 40 FEEB Cc1ccc([C@@H]2CCC[C@@H]2N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)cc1 76063793 HUEOXNJPYKABHO-RDJZCZTQSA-N 352.438 2.037 30 40 FEEB COC(=O)c1[nH]c2ccccc2c1/N=C(\O)CN1CCC2(CC1)OCCO2 82050196 HKYPOKFMOKXADA-UHFFFAOYSA-N 373.409 2.381 30 40 FEEB Cc1ccccc1OCC(=O)NCC#CCOc1ccc2c(c1)OCO2 90730785 UNXQGSHTROUESZ-UHFFFAOYSA-N 353.374 2.301 30 40 FEEB Cc1ccc(/C(N)=N\O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 52796138 SEVFSHXPGRXQAP-QGZVFWFLSA-N 366.465 2.369 30 40 FEEB N#Cc1cc(C#N)c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc1N 19877776 QVRXCUOACWHHTR-UHFFFAOYSA-N 354.351 2.046 30 40 FEEB CN1CC2(C[C@@H]3CC[C@H](C2)N3c2nc3ccccc3cc2C#N)OCC1=O 1888875702 ZIOZCRICWVUROU-QRTHJKPMSA-N 362.433 2.465 30 40 FEEB Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 3571144 RBHIRBGDGGDYJO-UHFFFAOYSA-N 356.407 2.393 30 40 FEEB C=CCn1cnn(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1=S 26642808 LFZGVDQVEVFCJL-UHFFFAOYSA-N 361.446 2.155 30 40 FEEB C=CCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408588511 GMBPXIXTYVGLIF-AWEZNQCLSA-N 366.483 2.367 30 40 FEEB C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 84637515 WVIOVIDRPOJEJJ-YOEHRIQHSA-N 367.371 2.428 30 40 FEEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3322173 SSNLYZFIFOFYSC-UHFFFAOYSA-N 365.389 2.190 30 40 FEEB C=CCN1C(=O)N/C(=C/c2ccc(OCC(=O)OCC)c(OCC)c2)C1=O 409124613 BSYOWAQOYNCLQB-GXDHUFHOSA-N 374.393 2.106 30 40 FEEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(C#N)CO)cc1 225640893 FAHZBRZTEJSCKF-CEXWTWQISA-N 371.414 2.166 30 40 FEEB O=C1CCC(c2ccccc2)=C1CC(=O)N1CCc2nc[nH]c2[C@H]1C(=O)O 72407627 BOEBTZUUSUGNIC-IBGZPJMESA-N 365.389 2.127 30 40 FEEB Cc1nn(-c2ccccc2)nc1C(=O)NCCNc1cccc(F)c1C#N 32934732 YNJZRJSTFUVWSC-UHFFFAOYSA-N 364.384 2.428 30 40 FEEB COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc(Br)c1O 13914420 FSQQUWQTNIQMBQ-GFCCVEGCSA-N 355.188 2.380 30 40 FEEB C=CCn1c(SCc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C 624703 AXBCNVRWRGSJDX-UHFFFAOYSA-N 356.451 2.220 30 40 FEEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 104858869 MQPKVVRHFFAPAD-AUUYWEPGSA-N 352.442 2.069 30 40 FEEB CN(CCC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 60657633 QDKQDHJBODMVAM-UHFFFAOYSA-N 369.874 2.113 30 40 FEEB C=C(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccccc2C)n(C)c1=O 4249410 RAJGDKRSBAQQHN-UHFFFAOYSA-N 365.437 2.323 30 40 FEEB C=CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 8755771 UNBHVQLVWBHPRW-UHFFFAOYSA-N 374.418 2.231 30 40 FEEB O=C1c2ccccc2[C@@]2([N+](=O)[O-])CN(Cc3ccccc3)C[C@@]1([N+](=O)[O-])C2 138757579 NZOJTSZXVXUZJA-OALUTQOASA-N 367.361 2.276 30 40 FEEB CCOC(=O)C(=NNC1=C(C)[C@@H](C)[C@@H](c2ccccc2)C1=O)C(=O)OCC 1554503567 NZWQMTSDGMDDKG-DOMZBBRYSA-N 372.421 2.335 30 40 FEEB COc1ccc(O)c(/C=N/n2cnc3c([nH]c4ccc(OC)cc43)c2=O)c1 2270732 UDGAYOXOSAMLNA-ZVBGSRNCSA-N 364.361 2.483 30 40 FEEB COC(=O)c1ccn(CSc2nncn2/N=C/c2ccc(C)cc2)n1 2733175 JAYAFGHEPLRRBH-GIJQJNRQSA-N 356.411 2.202 30 40 FEEB CN(C)c1ccnc(N2CCN(c3nc4ccccc4cc3C#N)CC2)n1 1888913298 FLTGXYJGQGHRFG-UHFFFAOYSA-N 359.437 2.289 30 40 FEEB CC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C(C)=C1C(C)=O 4594273 PMSUPGDRNYLEKZ-MRXNPFEDSA-N 354.328 2.329 30 40 FEEB NC(=O)c1ccccc1OCC#CCNC(=O)CSc1ccc(F)cc1 90610544 HSUNLFCGUFGYBS-UHFFFAOYSA-N 372.421 2.215 30 40 FEEB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccccc2C#N)c1C 3252106 DAMQRKWCVCFQTN-UHFFFAOYSA-N 369.377 2.475 30 40 FEEB CCc1nc(C/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCO3)cs1 65763687 BPJXXPKUWTXZCF-UHFFFAOYSA-N 368.436 2.365 30 40 FEEB N#Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)c1 15357804 SQWTUAUYXGEFOD-UHFFFAOYSA-N 355.419 2.164 30 40 FEEB N#CC1(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 218152025 GOGLQIDWESQYDM-DLBZAZTESA-N 352.371 2.389 30 40 FEEB C#CC(C)(C)NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248230347 ABSFHWNDWNMKMP-GUUAHRICSA-N 352.434 2.469 30 40 FEEB CN([C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1)S(C)(=O)=O 260793357 ITIBUMJAFNFPAJ-KRWDZBQOSA-N 357.435 2.324 30 40 FEEB C=C1C(=O)O[C@@H]2CC(C)=CC(=O)C=C(C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H]12 585660612 BIHIEAXOTSXYAE-ZGJFJDJXSA-N 360.406 2.189 30 40 FEEB biogenic,in-vitro CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2/C(=O)Nc3ccccc32)o1 2622228 WZFDTGVBKSZGKW-LFIBNONCSA-N 371.418 2.448 30 40 FEEB Cc1nc(N2C[C@@H]3CN(c4ncccc4C#N)C[C@@H]3C2)c2ccncc2n1 2086865432 WROJSLCTCVXEBM-IYBDPMFKSA-N 357.421 2.173 30 40 FEEB CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 5457978 DXWIWOSFRQWPLS-GOSISDBHSA-N 364.401 2.401 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 101306432 WLPBEPHDACUUEX-BKJYESAMSA-N 352.481 2.084 30 40 FEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc([N+](=O)[O-])cc1 408741759 RXDFJMOLCHVLGY-YFEUJDIGSA-N 368.374 2.361 30 40 FEEB COc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408537660 WNYOCOHKFJBIJW-ZDUSSCGKSA-N 355.325 2.436 30 40 FEEB O=C(COc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1)N1CCOCC1 409235223 YZWMYDWBLAIBIY-MTJSOVHGSA-N 368.389 2.404 30 40 FEEB C=CCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O 40158922 WEJZVAGQAYIAJY-UONOGXRCSA-N 373.478 2.358 30 40 FEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-n2cnnn2)cc1 12919506 CCXZRKFTEGYZAE-UHFFFAOYSA-N 359.349 2.478 30 40 FEEB N#Cc1c(F)cccc1NCCNC(=O)N[C@@H]1c2ccccc2C[C@H]1O 79158214 PXUCJHBSAOXMAG-QZTJIDSGSA-N 354.385 2.067 30 40 FEEB COC(=O)c1cc(C#N)c(=O)n(Cc2nn(-c3ccccc3)c3c2CCC3)c1 58215341 VKQUNARVZAUKTP-UHFFFAOYSA-N 374.400 2.229 30 40 FEEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)C1CC1 101300951 JJTZOTSSFWENJK-BLCHQYFCSA-N 370.883 2.351 30 40 FEEB COc1ccc(CC(=O)O/N=C(/N)Cn2nc(C(F)(F)F)cc2C)cc1 36612047 QRIAMZXDRTYFLM-UHFFFAOYSA-N 370.331 2.277 30 40 FEEB O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1n[nH]c2c1CCC2 9244279 XSRNTXDGPAMECD-LZYBPNLTSA-N 355.383 2.236 30 40 FEEB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(C#N)CCCCC2)C1=O 4954684 WOIANUOTGLXVFN-FQEVSTJZSA-N 368.437 2.186 30 40 FEEB COC[C@@H](C)S(=O)(=O)/N=C(\O)c1cc2c(nc3sccn32)s1 73838833 SYRCJCDEUVCLOZ-SSDOTTSWSA-N 359.454 2.280 30 40 FEEB CC1=CC(=C2N=C(S)SC2=O)C=C(C)N1CCN1CCOCC1 36633736 DRAZPYYMJFOFSG-UHFFFAOYSA-N 351.497 2.255 30 40 FEEB C=CC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 1772493011 LSVIWPNZJIGKRQ-YRYOSXQYSA-N 367.513 2.255 30 40 FEEB C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 684308014 VYWZRUGCAZFWOB-UHFFFAOYSA-N 369.396 2.468 30 40 FEEB C=CCn1cnnc1SCCC(=O)Nc1ccc(N2CCOCC2)cc1 32869621 LQFWCBGMLNKXFE-UHFFFAOYSA-N 373.482 2.422 30 40 FEEB COc1ccc(NC(=O)C[C@@H]2S/C(=N/C3CC3)NC2=O)cc1Cl 7126633 HNEUTNKPITZFGV-LBPRGKRZSA-N 353.831 2.427 30 40 FEEB Cc1ccc(-n2c(SCC(=O)NCCC#N)nnc2N2CCCC2)cc1 7256906 MGHNTBAJIQSGIL-UHFFFAOYSA-N 370.482 2.298 30 40 FEEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OC)c1O 409340808 BGYCDXQXDPFNNJ-UHFFFAOYSA-N 351.362 2.427 30 40 FEEB Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCN(C)C3)n1 408583128 RTHOBDLLEDMYGH-UHFFFAOYSA-N 359.480 2.437 30 40 FEEB C[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)N(C)CCC#N 48667531 WTBYWWXPEKXITM-NSHDSACASA-N 360.277 2.060 30 40 FEEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCN4CCOCC4)[C@H]3C[C@@H]12 20410701 ZKEGPMBXUFJNDZ-WVXKDWSHSA-N 362.514 2.222 30 40 FEEB biogenic Cc1cccc(C)c1N1/C(=N\C(=O)C2CC2)S[C@H]2CS(=O)(=O)C[C@H]21 101309925 ZXBUIWMTCGXPMT-WTIFFKHKSA-N 364.492 2.315 30 40 FEEB C=CCNC(=O)c1c(N)n(/N=C/c2ccncc2)c2nc3ccccc3nc12 5047341 NGCXTWUKHRRPMH-WYMPLXKRSA-N 371.404 2.360 30 40 FEEB C=CCOc1ccc(CN(C)C(=O)c2ccc(C)c(S(N)(=O)=O)c2)cc1 7963920 YYFBJQOJUBRRGR-UHFFFAOYSA-N 374.462 2.479 30 40 FEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)N(C)C 16599634 JRDNKDXQNORWAG-IBGZPJMESA-N 366.465 2.215 30 40 FEEB CC(C)(C)OC(=O)NC[C@H]1CCCCN1S(=O)(=O)CCCCC#N 68904317 HIBOHAOQAUEVNJ-CQSZACIVSA-N 359.492 2.389 30 40 FEEB NC1=N[C@@]2(N/C(=N/c3cccc(C(F)(F)F)c3)N1)C(=O)Nc1ccccc12 19328693 BXRZULLHCUVRAO-INIZCTEOSA-N 374.326 2.006 30 40 FEEB COc1cccc(N=C[C@@H]2C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408537627 WKALDIYSUFBKOF-RKLWJJNISA-N 355.394 2.281 30 40 FEEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@H]2CC[C@H]1C2 245229038 LQWWUZDUGQSMCA-BBALDPMCSA-N 370.540 2.462 30 40 FEEB Cc1noc(CN2CCCC[C@H](Nc3ncc(C#N)cc3Cl)C2=O)n1 585088434 HUBYZWLMEPGGAH-ZDUSSCGKSA-N 360.805 2.291 30 40 FEEB CCCc1cc(=O)[nH]c(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)n1 28679185 CBBAIHJCKBWKAT-OAHLLOKOSA-N 354.435 2.492 30 40 FEEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 16741148 KMEWTSGLBSLLAB-HJPHCXOUSA-N 352.481 2.252 30 40 FEEB N#Cc1ccc(NC(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)cc1 49009295 OLWSZDAYAHQCOV-UHFFFAOYSA-N 370.372 2.068 30 40 FEEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCC)nnc12 3599463 WVEKPZRASVGJQI-UHFFFAOYSA-N 371.466 2.239 30 40 FEEB CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1C 101303507 ZXSPPLMVZKJYDY-NDCYMYPRSA-N 358.872 2.270 30 40 FEEB CN1NC(=O)C(=N/Nc2ccc(F)cc2)/C1=N/C(=O)c1ccc(Cl)cc1 6056711 ZJCQJGXTFCXJSF-RVVQFRNZSA-N 373.775 2.463 30 40 FEEB NS(=O)(=O)c1ccc(N/N=C/c2ccccc2Cl)c([N+](=O)[O-])c1 4934855 PZYYODDLABLNBO-LZYBPNLTSA-N 354.775 2.342 30 40 FEEB CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(C=O)NC(=O)OC(C)(C)C)cc1 252516388 SIICYELYPCOWAD-RKVPGOIHSA-N 367.467 2.222 30 40 FEEB C=CCn1c(=O)c2c(nc3n(CC=C)c(-c4ccccc4)cn23)n(C)c1=O 4940985 IPPYFJTYELRDQQ-UHFFFAOYSA-N 361.405 2.188 30 40 FEEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 40073856 XOAJAPSMCMYZCP-HNNXBMFYSA-N 357.454 2.436 30 40 FEEB CCc1ccc([C@H](C)NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)cc1 32776403 HYWYTPVFDCQHNF-NSHDSACASA-N 356.451 2.482 30 40 FEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 978559 FDUMBIMOIMCBII-OAHLLOKOSA-N 359.378 2.168 30 40 FEEB biogenic Cc1cc(C)n(-c2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)cn2)n1 56096952 WIXHHEDZZFXNBF-UHFFFAOYSA-N 367.434 2.234 30 40 FEEB C/C(=N\Nc1nc(SCC(=O)NC2CCCC2)n[nH]1)c1ccccn1 20608386 JUGOMLOATJINEO-RGVLZGJSSA-N 359.459 2.187 30 40 FEEB COC(=O)c1cc(N/N=C2/C=CC(=O)c3ncccc32)cc(C(=O)OC)c1 102954169 FRNSYNHXRFJJPY-JCMHNJIXSA-N 365.345 2.224 30 40 FEEB C[C@H](C/C(O)=N/S(=O)(=O)c1cccc(C#N)c1)NC(=O)c1ccccc1 48598961 VIKLNZBELKVORO-CYBMUJFWSA-N 371.418 2.412 30 40 FEEB COc1cc(OC)cc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c1 5512299 BHJISUTYBMZWEY-UHFFFAOYSA-N 359.338 2.284 30 40 FEEB N#Cc1c(F)cccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7903209 YFBQPAROYZQMLO-UHFFFAOYSA-N 359.426 2.349 30 40 FEEB CCc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccc(C)o3)c2=O)cc1 28743042 XOBHGWNZCWCERW-VCHYOVAHSA-N 361.426 2.389 30 40 FEEB O=C1/C(=C2/Nc3cc4c(cc3C2=O)OCO4)Nc2cc3c(cc21)OCO3 104080349 HHRYTMIXAJNJKY-NXVVXOECSA-N 350.286 2.272 30 40 FEEB Cc1nccn1-c1ccc(NS(=O)(=O)Cc2ccccc2C#N)cn1 95466397 FIZBHTAITVNYTE-UHFFFAOYSA-N 353.407 2.389 30 40 FEEB C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)Nc1cccc(F)c1 12997111 QWBJVOIDGMGNCD-CQSZACIVSA-N 360.433 2.427 30 40 FEEB C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1Cl 12922017 AIYYCPONJJHYGM-MRVPVSSYSA-N 353.209 2.436 30 40 FEEB CCCCCn1c(N/N=C(/C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4729153 OWONYKFKODVJKQ-XKZIYDEJSA-N 368.441 2.450 30 40 FEEB COc1ccccc1C/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408535951 PEOUYKWAUIGCLF-YYUCPWCLSA-N 369.421 2.149 30 40 FEEB Cn1c(C/N=C(/N)N2CCN(c3ccccc3F)CC2)nc2ccccc21 97001204 VRBRURCHJCCJFP-UHFFFAOYSA-N 366.444 2.349 30 40 FEEB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1CCOCCC#N 555423038 VPGJBSMWKZGQND-AWEZNQCLSA-N 360.380 2.366 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@]1(C=O)NC(=O)OC(C)(C)C 218655961 PBQBRRSSGBNDSA-DAYGRLMNSA-N 367.467 2.358 30 40 FEEB CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccc(C#N)cc2)nn1 216757973 KXCBPRJGXOHAQV-IBGZPJMESA-N 358.405 2.419 30 40 FEEB COc1cccc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1OC 225480943 QBZUCTSEOGJLIV-ZDUSSCGKSA-N 368.393 2.049 30 40 FEEB CCOc1ccc(-c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23)cc1 19940178 UOPQHPBCVYHSFF-UHFFFAOYSA-N 353.407 2.497 30 40 FEEB in-vivo C[C@@H](C#N)OC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 5959626 BZNYUFAORGTQAB-AWEZNQCLSA-N 350.440 2.249 30 40 FEEB Cc1cc(N2C[C@@H]3CN(c4ncccc4C#N)C[C@@H]3C2)n2nc(C)cc2n1 2298074399 DRMDBGVUTDFWQF-CALCHBBNSA-N 359.437 2.185 30 40 FEEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(CCCOC)C1=O 4744569 OAGUVASPLAKLRM-UWZWCOGJSA-N 356.469 2.122 30 40 FEEB Cc1cccc(N2/C(=N\C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 101312410 LUVYUNKFNBXUDW-OVZRNVPMSA-N 350.465 2.006 30 40 FEEB N#Cc1cccnc1N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58217738 JLHVULLCNDOGFP-SFHVURJKSA-N 362.481 2.387 30 40 FEEB COc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)c1 408529967 DMGYIXSOHGYDOF-INIZCTEOSA-N 367.361 2.305 30 40 FEEB C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/CO)C/C(C)=C/CC[C@@]1(C)O[C@H]21 197633980 CQZUJMJORLOTCJ-IMAOZINYSA-N 362.422 2.222 30 40 FEEB biogenic,in-vitro COc1ccccc1N1C[C@H](/C(O)=N/c2nc([C@H]3CCCO3)n[nH]2)CC1=O 95475696 VDBZGUMRDQJGPD-BXUZGUMPSA-N 371.397 2.306 30 40 FEEB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccnc(C#N)c2)cc1 583623746 QTHYCTHPTWBVRK-ICSRJNTNSA-N 351.406 2.474 30 40 FEEB CCOC(=O)/C(C(=O)c1ccccc1)=C(/N)NC(=O)Nc1ccccc1 1776111317 OFOBBDOBJCZTPO-ICFOKQHNSA-N 353.378 2.424 30 40 FEEB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 585149818 PZOOKSZWHKBPFJ-IAGOWNOFSA-N 353.466 2.479 30 40 FEEB Cn1c(Nc2ccc3c(c2)OC2(CCCCC2)O3)c(C#N)c(=O)n(C)c1=O 12585623 HVHXYOOHSLTSDS-UHFFFAOYSA-N 368.393 2.131 30 40 FEEB CCCNC(=O)c1c(/N=C/c2ccc(OC)c(OC)c2OC)cnn1C 2798168 OASVYHWZZNCAGG-KEBDBYFISA-N 360.414 2.336 30 40 FEEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccnc2)C3=O)CC1 20518835 VQFZEHZMHUKCKZ-WQRHYEAKSA-N 351.406 2.151 30 40 FEEB N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3noc4ccc(F)cc34)C2)nc1 563495696 HJJRIOMILQKLOF-CQSZACIVSA-N 366.352 2.456 30 40 FEEB C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NOC)cc1 56916447 LVSQLNSWCHIWAK-UHFFFAOYSA-N 360.435 2.355 30 40 FEEB CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=N\O)c3ccccc3)cc21 17130448 IWKXBHQELWQLHF-SILNSSARSA-N 358.423 2.431 30 40 FEEB in-man N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1Cl 58181524 GVLCWPOCXJUUGN-CQSZACIVSA-N 353.875 2.461 30 40 FEEB C=C(Br)CNC(=O)NCc1cccc(Cn2cncn2)c1 58172312 XTCDTFKQKUIMLA-UHFFFAOYSA-N 350.220 2.034 30 40 FEEB Cc1ccc(/C(O)=N/C2=NC(=O)CN2)cc1NC(=O)c1ccccc1F 58168234 UJYPQICCAYJRPO-UHFFFAOYSA-N 354.341 2.177 30 40 FEEB C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 2805149 CNQBJYDTQOXJKL-LBPRGKRZSA-N 365.353 2.123 30 40 FEEB C=CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CCS(=O)(=O)C1 84081344 BCJPMCCWARXUNX-MRXNPFEDSA-N 373.478 2.304 30 40 FEEB Cn1cccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c1=O 85474033 YOADKDRTLQKZIQ-UHFFFAOYSA-N 364.323 2.216 30 40 FEEB N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 48332924 XJJFBXXXMCMHPY-UHFFFAOYSA-N 373.434 2.347 30 40 FEEB Cc1nc(NC(=O)CNC(=O)Cc2ccccc2)sc1SCC#N 48374493 KRHDWIFXHCSAGN-UHFFFAOYSA-N 360.464 2.365 30 40 FEEB COc1cc(/C=N/c2cccc3c(O)n[nH]c(=O)c23)c([N+](=O)[O-])cc1OC 705231 LKZDXVDOROUESF-QGMBQPNBSA-N 370.321 2.305 30 40 FEEB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 58209132 BLAJEXYCSQROGX-QGZVFWFLSA-N 354.391 2.025 30 40 FEEB Cc1ccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 11907230 KMEWTSGLBSLLAB-XJFZTKQQSA-N 352.481 2.252 30 40 FEEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN)[C@@H]2c2cccnc2)cc1 3766478 DMYRAWAIWCUEMX-QGZVFWFLSA-N 367.405 2.017 30 40 FEEB C=CCNC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O 524729993 QMZNDVWLBZOGTP-CYBMUJFWSA-N 359.378 2.192 30 40 FEEB biogenic O=C1C(=O)N(CCO)[C@@H](c2ccc(O)cc2)/C1=C(\O)c1ccc(Cl)cc1 102803311 MDSXWIVCDNJVOE-UYTDBDHRSA-N 373.792 2.460 30 40 FEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 101317391 ZRVIAQNUNWXELW-DDGKQPTKSA-N 358.872 2.351 30 40 FEEB NC(=O)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 5888554 KUEGRYUFHXPDDO-INIZCTEOSA-N 370.792 2.404 30 40 FEEB COc1cccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)c1 85470673 OEANERMUDCRORA-UHFFFAOYSA-N 358.463 2.109 30 40 FEEB C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)C1=O 4488328 KBUHJGDMSYVURP-ZDUSSCGKSA-N 362.407 2.442 30 40 FEEB CC(C)(C)c1nc(CNC(=O)/C(O)=N/c2nnc3ccccn23)cs1 95461349 VMRAQYHKMMBHDC-UHFFFAOYSA-N 358.427 2.388 30 40 FEEB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccccc2SCCC#N)C1=O 95953488 NGNWBKAGUURCOG-GOSISDBHSA-N 372.450 2.351 30 40 FEEB N#Cc1ccccc1Cn1cc(-c2nc(-c3cnccn3)no2)ccc1=O 75165650 CDIWHYKHYIHFKQ-UHFFFAOYSA-N 356.345 2.275 30 40 FEEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 226669045 KWYWMVFAEKHVOI-UFHUTDQFSA-N 361.195 2.429 30 40 FEEB COc1ccccc1-n1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)n1 256045917 BQYNEHPHSGZGAZ-UHFFFAOYSA-N 374.448 2.470 30 40 FEEB C=CCN1C(=O)c2ccc(C(=O)OCc3nccn3C(F)F)cc2C1=O 32853911 GGONMRLKUFFSMS-UHFFFAOYSA-N 361.304 2.417 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 100199484 HCKZNPLHWXTKAE-ZTCNNMIESA-N 352.390 2.091 30 40 FEEB C=C(C)Cn1c(Sc2nc3ccccc3[nH]2)nc2c1c(=O)[nH]c(=O)n2C 37868690 IHZWBRNHYRHMTP-UHFFFAOYSA-N 368.422 2.027 30 40 FEEB COC(CN(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12)OC 61997703 CBRPEKGZJWTLTP-DIZUZXFTSA-N 367.486 2.064 30 40 FEEB biogenic COc1cccc([C@H]2C3=C(CCCC3=O)Nc3nnnn32)c1OC(C)C 12948047 GNGDMGILUJYTAB-INIZCTEOSA-N 355.398 2.491 30 40 FEEB CC(=O)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 14250537 FBBCAFRZYDITNG-CYBMUJFWSA-N 374.510 2.380 30 40 FEEB C=CCn1c(=O)c2c(nc3n(-c4ccccc4F)c(C)c(C)n23)n(C)c1=O 4370559 MDDQXOBJGYNHCI-UHFFFAOYSA-N 367.384 2.081 30 40 FEEB COc1cc(/C=N/Nc2nnc(C)n2N)ccc1OCc1ccccc1 4491365 RAWPRIWEDQHBHL-RGVLZGJSSA-N 352.398 2.334 30 40 FEEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2ncccc2c1=O 31614885 BWBFQRWEIGUTCI-UHFFFAOYSA-N 357.395 2.005 30 40 FEEB CCOc1cc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)ccc1O 100231813 YTDUBYPQQWZWGR-SZTIYCPPSA-N 352.390 2.178 30 40 FEEB C=C[C@@H](C)n1c(=O)c2c(nc3n2CCN3c2ccc(Cl)cc2)n(C)c1=O 13815882 NYBVNMMFZPIZIK-LLVKDONJSA-N 371.828 2.449 30 40 FEEB O=S(=O)(c1ccccc1)n1c(SCC#CCO)nc2ccccc21 4615395 KNKAZIJOTDOXGB-UHFFFAOYSA-N 358.444 2.361 30 40 FEEB C/N=C1/S[C@@H](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C(=O)N1C 16937955 ATXUJCABSGXPPA-LNLNWCRDSA-N 361.345 2.473 30 40 FEEB Cc1nc2c3ccccc3nc(SCC(=O)N[C@@](C)(C#N)C3CC3)n2n1 8756356 VQKQLWFAGKOSJI-SFHVURJKSA-N 366.450 2.487 30 40 FEEB COc1ccccc1/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408741041 NOEFKCWNGOIGNZ-MDBUFAAASA-N 353.403 2.462 30 40 FEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2 225681595 XKEDYAQOSOQAGC-UHFFFAOYSA-N 363.295 2.344 30 40 FEEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2)[C@@H]1C[C@H]31 226668921 JTXWSZAFELZYOI-VXMPRSDZSA-N 370.792 2.456 30 40 FEEB Cc1c(C#N)c(NC(=O)CCN2CCOCC2)n(Cc2ccco2)c1C 22386346 QMJCXXNWTSOOOH-UHFFFAOYSA-N 356.426 2.279 30 40 FEEB CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1N1CCOCC1 12516014 HNADOHIXROLLMH-UHFFFAOYSA-N 364.449 2.465 30 40 FEEB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2ccc(C#N)cc2)cc1 8650822 NQLYBKWJCAOFDN-UHFFFAOYSA-N 358.419 2.231 30 40 FEEB COc1cccc(S(=O)(=O)/N=C(\O)[C@@H](C)NC(=O)OC(C)(C)C)c1 58187903 JEBXUFCCTGNUHV-SNVBAGLBSA-N 358.416 2.254 30 40 FEEB Cc1ccccc1N1/C(=N\C(=O)C2CC2)S[C@H]2CS(=O)(=O)C[C@@H]21 101312052 DKSNNDLCPNKXGU-QLXQBBHQSA-N 350.465 2.006 30 40 FEEB C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)OCC#N 3340775 JHTHJMOAQXUBRQ-SSDOTTSWSA-N 370.736 2.092 30 40 FEEB Cc1nn(C[C@H](O)COc2ccc(C(C)(C)C)cc2)c(=O)c(C#N)c1C 12925308 ADDFRXRFKHBDDY-INIZCTEOSA-N 355.438 2.469 30 40 FEEB C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OC)C(=O)NC1=S 4711391 FNIKADNYOIAADX-RVDMUPIBSA-N 373.478 2.354 30 40 FEEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 36638603 BNBFZLNTHHPCTB-MQSIFZDRSA-N 366.508 2.330 30 40 FEEB C#CCN(c1nccs1)S(=O)(=O)c1ccc(C(=O)OC)cc1C 79068283 QXVJURIPEHFMBO-UHFFFAOYSA-N 350.421 2.067 30 40 FEEB CN(C)C[C@H](/C(Cc1ccccc1)=N/NC(=S)NN)c1ccccc1 6371984 WRKAJEFZCXGQOX-VPMFXMNOSA-N 355.511 2.268 30 40 FEEB CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(NC(C)=O)cc1 1758584 UHJHVTNAXUWTMH-LDADJPATSA-N 361.423 2.356 30 40 FEEB CN(C(=O)COC(=O)[C@H]1COc2ccccc2O1)C1(C#N)CCCCC1 6947022 UOFBOICXQBZRBJ-MRXNPFEDSA-N 358.394 2.054 30 40 FEEB COc1ccccc1N1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1 58194803 OCLQDVRARFEOQR-INIZCTEOSA-N 371.462 2.372 30 40 FEEB N#Cc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 28254984 GYCHNNWKQHXRGT-UHFFFAOYSA-N 369.402 2.008 30 40 FEEB C=CCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 524731660 GJVUVEZYUFEMRH-IBGZPJMESA-N 361.401 2.494 30 40 FEEB biogenic CCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 226056299 UMPFOEMHTYRSLQ-UHFFFAOYSA-N 361.398 2.347 30 40 FEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)CCc2ccsc2)c1 54487334 MIDXCQKRZIZTTH-UHFFFAOYSA-N 373.477 2.430 30 40 FEEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 30982284 VHPHPQCJFWFYHP-UHFFFAOYSA-N 367.390 2.126 30 40 FEEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccccn2)s1 102740951 KVBVJFOBTVMYFZ-MNWMYKRDSA-N 368.374 2.461 30 40 FEEB N#Cc1ccnc(N2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)c1 24050939 SNWUKHUOMVAWSD-UHFFFAOYSA-N 358.405 2.101 30 40 FEEB Cn1nnnc1SCCC(=O)Nc1cccc(C#Cc2ccccn2)c1 56407171 YLKNFRMCSRUONG-UHFFFAOYSA-N 364.434 2.126 30 40 FEEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 4248287 SFKDWEGQWCJQOQ-AWEZNQCLSA-N 366.421 2.152 30 40 FEEB Cc1csc([C@@H](C#N)C(=O)CSc2nnnn2-c2ccccc2)n1 7745221 RKCKDHIQNYIQRX-LBPRGKRZSA-N 356.436 2.396 30 40 FEEB N#CC1(NC(=O)CSc2nnc(-c3cccc(F)c3)n2N)CCCCC1 9800706 PYCCTXLXSFBLQX-UHFFFAOYSA-N 374.445 2.233 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2)C1 225803889 IPSXQEVHIMTVGA-CQSZACIVSA-N 357.801 2.365 30 40 FEEB CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225670753 AAMZJKGABLTRPA-JKIFEVAISA-N 371.430 2.189 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1(C=O)NC(=O)OC(C)(C)C 225633309 FHOQQMNWWGYZEU-CKEIUWERSA-N 353.440 2.050 30 40 FEEB C/N=C1\S/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)O)C(=O)N1C 16322457 QXKMRTXVTOIRFO-RPNAMAJXSA-N 350.396 2.079 30 40 FEEB CN(C)CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccco1 101094404 ZABTXXOBJAWKDY-OZSKJFCKSA-N 356.378 2.412 30 40 FEEB COc1ccc(C)cc1NC(=O)CNC(=O)COc1ccccc1C#N 11400212 PIZHEEIFEPESSG-UHFFFAOYSA-N 353.378 2.009 30 40 FEEB C=CCNC(=O)CSc1nnc(-c2cc(C)n(C)n2)n1Cc1ccco1 2792748 UTNQBIKICKWNJF-UHFFFAOYSA-N 372.454 2.023 30 40 FEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 101300355 CEACFUDOXMKWEQ-LTUGMUNRSA-N 356.444 2.227 30 40 FEEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)NC(=O)OC(C)(C)C)cc1 48472890 QRKBLKBIIIIFRJ-SNVBAGLBSA-N 370.427 2.448 30 40 FEEB O=S1(=O)N=C(N(CCO)/N=C/c2cccc(Cl)c2)c2ccccc21 4320612 GFKPQAKSJSSKLT-WOJGMQOQSA-N 363.826 2.117 30 40 FEEB COc1cccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c1 256048193 RGZDQUABSXVABQ-UHFFFAOYSA-N 374.448 2.470 30 40 FEEB Cc1ccc2nc(SCC(=O)N[C@](C)(C#N)C(C)C)n(C)c(=O)c2c1 48332427 IYHULSOGZGMFKV-GOSISDBHSA-N 358.467 2.389 30 40 FEEB COc1ccc(N2C(=O)C(=O)/C(=C(\C)N)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 100252671 LLFXROGGVAAOLY-ABPVARSCSA-N 367.361 2.493 30 40 FEEB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)/C=C/c1ccccc1 16941515 ZUCITBSZCUEOLI-CMDGGOBGSA-N 358.375 2.235 30 40 FEEB COc1ccc(C(=O)OCC#N)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 21992531 XPQIIQDFRXQXPM-BETUJISGSA-N 366.439 2.042 30 40 FEEB C[C@H](/C(O)=N/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 54422101 AFTVYCGCBROKFF-LLVKDONJSA-N 371.411 2.333 30 40 FEEB N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCC(=O)NC1CC1 24344403 LYJLKPSNPLPLQN-UHFFFAOYSA-N 367.434 2.158 30 40 FEEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccccc1 24845056 SEPHFJSEVLCXIS-UHFFFAOYSA-N 363.826 2.471 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCO2 57512889 JFFBTZQFKDOSCO-UHFFFAOYSA-N 358.419 2.338 30 40 FEEB COc1cccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(OC)cc43)c2=O)c1 13552376 JXJYPECSUWTSOC-KEBDBYFISA-N 364.361 2.071 30 40 FEEB CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)/C(O)=N/S(C)(=O)=O 66503906 JVHCOUZXHXXQSA-QGZVFWFLSA-N 362.451 2.439 30 40 FEEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C#N)cc3)C2=O)cc1 408529338 CQXLDDORSKLYJM-MRXNPFEDSA-N 362.345 2.168 30 40 FEEB Cc1noc(CCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 75092528 KGKTWHRFDRYSST-UHFFFAOYSA-N 352.316 2.290 30 40 FEEB C=CCN1CC[C@]2(CN(C(=O)[C@H]3CCCO3)C[C@H]2c2ccccc2)C1=O 96201903 OWTQWGXLEKJTGG-WAOWUJCRSA-N 354.450 2.196 30 40 FEEB O=C1C(=O)N(CCO)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)c1ccccc1 102900265 DRBCHVABALFKMA-IBOXJLQUSA-N 368.345 2.009 30 40 FEEB CNC(=O)NC(=O)[C@@H](C)Nc1cccc(OCc2cccc(C#N)c2)c1 56153507 SGTHJEPSYZCQCK-CYBMUJFWSA-N 352.394 2.393 30 40 FEEB C=CCN1C(=O)N=C(O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C1=O 102535522 RPSFDJCSQIRPAC-LGMDPLHJSA-N 368.437 2.229 30 40 FEEB CC(C)N1CCOC[C@@]2(CC[C@H](CNCc3ccc(F)c(C#N)c3)O2)C1 306135921 PEKIHRXHPXSDPG-UYAOXDASSA-N 361.461 2.445 30 40 FEEB C=CCOC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)O 51943404 BRDAVNPSYONQDX-ZDUSSCGKSA-N 368.430 2.485 30 40 FEEB C=CCNC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N1CCCC1 10333926 YONSFUXGZDKMLC-LJQANCHMSA-N 351.450 2.395 30 40 FEEB N#Cc1ccccc1NC(=O)C(=O)NCC1(c2cccs2)CCOCC1 21690627 GBDJRMMGNUWWDI-UHFFFAOYSA-N 369.446 2.423 30 40 FEEB O=C1Oc2ccc(S(=O)(=O)O)cc2N/C1=C/C(=O)c1cccs1 100239108 PKQQRQWEURGTLK-JXMROGBWSA-N 351.361 2.093 30 40 FEEB COc1ccc(N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)cc1 32638427 ZXZDZEFTHGXJFB-UHFFFAOYSA-N 356.470 2.160 30 40 FEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 35336439 WFRKZFIJTRGPLO-UHFFFAOYSA-N 360.391 2.101 30 40 FEEB Cc1nn(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c(=O)c(C#N)c1C 45821603 BIBNKVJRNIQUON-VQIMIIECSA-N 353.422 2.187 30 40 FEEB Cc1ccc(C)c(N2/C(=N\C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 101312957 UAMCMXCGELZXME-UICBKRPASA-N 364.492 2.315 30 40 FEEB Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 13692581 MXLXBNLCWPCQMZ-QGZVFWFLSA-N 368.437 2.166 30 40 FEEB C=CCn1cnnc1SCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 5822478 PZMTWPJRZLLDFB-UHFFFAOYSA-N 360.395 2.126 30 40 FEEB CCOc1c(I)cc(/C=N\n2cnnc2)cc1OC 33574670 UGIYWEWWTAOFLN-SOFYXZRVSA-N 372.166 2.172 30 40 FEEB COc1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408741753 RWQOWVRROMVAOW-SKCQWOFPSA-N 353.403 2.462 30 40 FEEB C=CC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 1772493005 LSVIWPNZJIGKRQ-OFUKAMRASA-N 367.513 2.255 30 40 FEEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N[C@H]1CCCc2ccccc21 40114672 UUFSYXYXXVZZQN-KRWDZBQOSA-N 361.405 2.351 30 40 FEEB COCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 2313162 WTYPWJMMNUDZIA-OAHLLOKOSA-N 367.453 2.380 30 40 FEEB CN(C)C(=O)[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)c2ccccc2O1 14023548 LKXALHPVCOGDNB-TZZQJPOUSA-N 361.401 2.454 30 40 FEEB CCOc1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 42304795 CRPPBQKMECTAEZ-UHFFFAOYSA-N 360.391 2.084 30 40 FEEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)OCO3)c(OC)c1 48610562 MGICEWILBVRKJJ-UHFFFAOYSA-N 365.363 2.126 30 40 FEEB COc1cc(C(=O)N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)ccc1C#N 685942727 NJFHKDZZWNAABU-KXBFYZLASA-N 352.394 2.452 30 40 FEEB CCOC(=O)C[C@@H](C#N)c1c([N+](=O)[O-])cc(OC)c(OC)c1[N+](=O)[O-] 3199838 WJOPLPQRZFVLKZ-QMMMGPOBSA-N 353.287 2.081 30 40 FEEB C[C@@H]1CCC[C@H](N2CNC(=NS(=O)(=O)c3ccc(F)cc3)NC2)[C@@H]1C 22607962 CBRVECYDAHLVGN-IOASZLSFSA-N 368.478 2.105 30 40 FEEB C=CCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12 2438743 ORSYGNWKSZXSAN-WYMPLXKRSA-N 371.404 2.360 30 40 FEEB COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1C(=O)NC1CC1 14183078 HQTFSGNOTXIPLH-UHFFFAOYSA-N 365.389 2.477 30 40 FEEB C#CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 409391846 KAIJAIAAIODJAG-SFQUDFHCSA-N 370.368 2.336 30 40 FEEB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccnc(C#N)c2)cc1 583623748 QTHYCTHPTWBVRK-UYAOXDASSA-N 351.406 2.474 30 40 FEEB Cc1ccc(S(=O)(=O)NC(=O)O/N=C\c2ccc3c(c2)OCO3)cc1 5663080 LLYCGDRZXLZULE-MFOYZWKCSA-N 362.363 2.173 30 40 FEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1CC 16741015 WLPQJYLVUCMHDA-QPRSIOOTSA-N 352.481 2.260 30 40 FEEB C=CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)[C@@H]1CCS(=O)(=O)C1 57238847 DDNNGCJBXIKDFE-QGZVFWFLSA-N 361.467 2.088 30 40 FEEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 101300691 UMXBNQAFWFFVOQ-YXEAAEFPSA-N 356.444 2.083 30 40 FEEB C=CCc1ccc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)c(OC)c1 12698980 QKRIATARXZXTRH-UHFFFAOYSA-N 365.393 2.417 30 40 FEEB Cc1ccc(/C(O)=N/S(=O)(=O)c2ccccc2Br)c(=O)[nH]1 62674988 WCWVNLRNFJDIEH-UHFFFAOYSA-N 371.212 2.139 30 40 FEEB COc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c([N+](=O)[O-])c1 5009266 YANGXFMONYSABQ-UHFFFAOYSA-N 365.349 2.196 30 40 FEEB C=C(C)CN(CC)C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 14171646 LXYLRHALGYUHBK-UHFFFAOYSA-N 360.483 2.331 30 40 FEEB C=CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 4739749 MIOKQRWTHSKIRP-GXDHUFHOSA-N 366.329 2.293 30 40 FEEB CN(CC(=O)N(CCC#N)CCC#N)Cc1ncc(-c2ccccc2)[nH]1 83862011 GXIKRIZGOKRCFK-UHFFFAOYSA-N 350.426 2.164 30 40 FEEB COC[C@](C)(C#N)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 532762148 VTJXWJYZRTYNCS-INIZCTEOSA-N 370.375 2.362 30 40 FEEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccco3)NC2=O)cc1 8208497 LVZCWEBBZOMMPN-XKYMITNMSA-N 372.406 2.239 30 40 FEEB N#Cc1cccnc1N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888842868 UASSEYCJTPECMP-CHWSQXEVSA-N 360.343 2.335 30 40 FEEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 26299043 MQPKVVRHFFAPAD-KUHUBIRLSA-N 352.442 2.069 30 40 FEEB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sccc2C#N)C1=O 14140279 XXZGZNZTOKPLTP-GOSISDBHSA-N 368.418 2.416 30 40 FEEB C=CCn1c(S[C@H](C)C(=O)NC(=O)NC)nnc1C1CCCCC1 8395227 JNPIFGFBWIPGMI-LLVKDONJSA-N 351.476 2.448 30 40 FEEB Cc1ccc(S(=O)(=O)N=C2NCN(C3CCCCCC3)CN2)cc1 19325448 BDDFFDRFNMYCAD-UHFFFAOYSA-N 350.488 2.172 30 40 FEEB N#C[C@@]12C(=O)N=C(O)[C@]1(C#N)[C@@]21C(=O)N(Cc2ccccc2)c2ccccc21 35325276 AHXGTZLQSXTAIH-AERCQKQUSA-N 368.352 2.001 30 40 FEEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H](C)NC(=O)c2ccoc2)n1 40154216 JZAGBTMCJYREHZ-SNVBAGLBSA-N 355.354 2.480 30 40 FEEB O=C(/C=C1\Nc2ccc([N+](=O)[O-])cc2N[C@@H]1O)c1cccc([N+](=O)[O-])c1 104287062 KMUNZQOCLSFPQQ-WPMUKRGUSA-N 356.294 2.426 30 40 FEEB N#CCCN(Cc1ccco1)C(=O)CN1CCN(c2ccccc2)CC1 57392181 ZXGPBWUTZCOIET-UHFFFAOYSA-N 352.438 2.344 30 40 FEEB C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)NC(N)=O 58197506 SOPIKYSWCQGVNF-SECBINFHSA-N 358.211 2.160 30 40 FEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C(=O)N2CCCC2)CC1 29778751 QKQKTHOVHSRTFX-HNNXBMFYSA-N 355.438 2.187 30 40 FEEB CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1cccs1 59488753 NBAKQFAYNXBEHC-NTEUORMPSA-N 354.413 2.353 30 40 FEEB C=CCN(Cn1nc([C@@H]2CCS(=O)(=O)C2)n(C)c1=S)C1CCCC1 62581069 WQKNVWWQHUVTQR-CYBMUJFWSA-N 370.544 2.241 30 40 FEEB COc1cccc(/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)c1OC 48505081 DDNBGFRBWUGPCN-UHFFFAOYSA-N 360.391 2.410 30 40 FEEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)C1CC1 5206127 QOXIKMJPQDGVJB-RGHHBTPQSA-N 370.883 2.351 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cc(C)cc1C 5377535 YFRAQGXFVZPMHZ-XJFZTKQQSA-N 352.481 2.233 30 40 FEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccnc1 6787092 PTXQINAJIVSWGK-IBOXJLQUSA-N 355.394 2.048 30 40 FEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O 36848287 JDBXVRIMJYCWLW-IBGZPJMESA-N 351.337 2.347 30 40 FEEB COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc(Br)c1O 13914418 FSQQUWQTNIQMBQ-LBPRGKRZSA-N 355.188 2.380 30 40 FEEB N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCC(C(N)=O)CC1 794741 ULXZFOVKBUOXND-UHFFFAOYSA-N 360.801 2.480 30 40 FEEB C=CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 3448430 OLADBUWWCWINNY-UHFFFAOYSA-N 368.842 2.426 30 40 FEEB CCOc1cc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)ccc1O 4320613 MYAXFGHIHTWOJS-WOJGMQOQSA-N 359.407 2.206 30 40 FEEB CCOc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C#N 4727380 NGWFXTQANLRBGL-UHFFFAOYSA-N 357.391 2.104 30 40 FEEB COc1ccc([N+](=O)[O-])cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009260 RFAUBLOCDZVVBV-UHFFFAOYSA-N 365.349 2.196 30 40 FEEB C[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)NCC#N)c1 8184293 BWICVTLDQIFQJB-OAHLLOKOSA-N 371.462 2.240 30 40 FEEB Cc1ccc(N(CCC#N)C(=O)CSc2nc(N)cc(N)n2)cc1C 12545650 WXMFDCZKMKUTJA-UHFFFAOYSA-N 356.455 2.297 30 40 FEEB CC(C)[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1cn2ccccc2c1C#N 32603867 IENIHRWEZDJWGL-CYBMUJFWSA-N 352.316 2.453 30 40 FEEB COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2C#N)cc1 32899542 ICBSKPYHYCBSDZ-IBGZPJMESA-N 363.417 2.089 30 40 FEEB CC(C)C[C@@H](NC(=O)OC(C)(C)C)/C(N)=N/OCC(=O)NC(C)(C)C 40158261 LCBLHNJXEFKBPL-GFCCVEGCSA-N 358.483 2.129 30 40 FEEB CCc1cccc(CC)c1N1/C(=N\C(C)=O)S[C@H]2CS(=O)(=O)C[C@H]21 101317159 CPRPPRMLCKNNJE-YTRIFDNDSA-N 366.508 2.433 30 40 FEEB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/Cc2ccccc2)C1=O 408534596 MJBUJLFJTGFAMZ-MQMKENTISA-N 351.362 2.165 30 40 FEEB CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CCN1C(=O)CCC1=O 29476085 ZYDZQIHCAHBPHN-ZZEZOPTASA-N 373.478 2.436 30 40 FEEB O=S(=O)(/N=C(\O)CC[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 48536407 JRPIOZDITIRWPL-LBPRGKRZSA-N 355.412 2.452 30 40 FEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12924224 WFFQNBJYEUYGHA-ZDUSSCGKSA-N 362.389 2.221 30 40 FEEB N#Cc1cccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 14205280 IWVFLLDECDXWCY-UHFFFAOYSA-N 366.406 2.347 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 222248372 HCKZNPLHWXTKAE-ZLPJSNSQSA-N 352.390 2.091 30 40 FEEB COc1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 44791363 WMRJKGZNMZJWRO-UHFFFAOYSA-N 373.434 2.166 30 40 FEEB CN(C)C(=O)C[C@]1(O)CCCN(c2ccc(C#N)cc2C(F)(F)F)C1 591618753 SFUKNDFANNBENH-MRXNPFEDSA-N 355.360 2.387 30 40 FEEB C=C1C(=O)O[C@@H]2/C=C(/C)[C@H]3C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 5665252 UEFXHAIMDIUNBV-APNTXNRKSA-N 362.422 2.221 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1OC 100058711 SDANLBNXRDVLKC-SDZYNDAASA-N 352.390 2.235 30 40 FEEB CC(C)[C@](C)(C#N)NC(=O)CN1CCCN(Cc2ccccc2F)CC1 58210090 AMWRYMWBLJTZOI-FQEVSTJZSA-N 360.477 2.388 30 40 FEEB NC(=O)C(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)=C1SCCS1 51329869 HWIIMFWJKAWMBD-WDEREUQCSA-N 350.421 2.444 30 40 FEEB C#CC(CC)(CC)NC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O 14182684 MWYQWOSUFDNFPW-HXUWFJFHSA-N 373.428 2.291 30 40 FEEB CCOC(=O)Cc1cc(=O)[nH]c(/N=C(\N)Nc2cccc3ccccc23)n1 20477887 NCSZHIQVRYOVMI-UHFFFAOYSA-N 365.393 2.087 30 40 FEEB N#Cc1c(N2CCCC2)nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c12 100752770 FGYZTQYLIDDMRP-UHFFFAOYSA-N 350.338 2.070 30 40 FEEB N#C[C@H](C(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1F 103483238 MGDWYGPLKJPYOF-OAHLLOKOSA-N 364.332 2.404 30 40 FEEB COc1ccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)c(OC)c1 4320611 RNZZCOGQKOARBC-WOJGMQOQSA-N 359.407 2.119 30 40 FEEB C=CCn1c(SCC(=O)N2CCN(C(C)=O)CC2)nc2ccccc21 8710121 LHOAMAZKUMEOQF-UHFFFAOYSA-N 358.467 2.005 30 40 FEEB COc1cc(C(=O)OCc2ccc(C#N)cc2)cc(Cl)c1OCC(N)=O 11364725 DBVGOCOTXWUJOW-UHFFFAOYSA-N 374.780 2.441 30 40 FEEB CN(C(=O)Cc1cccc2ccccc12)C1CN(c2nccnc2C#N)C1 1775972892 AOVXAGKLEMULNK-UHFFFAOYSA-N 357.417 2.391 30 40 FEEB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 32904749 RCPAHKXGDUTPJN-AWEZNQCLSA-N 369.446 2.470 30 40 FEEB Cc1ccccc1NC(=O)C(=O)[C@@H]([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-] 1626675 ATJDQFODUOZFLO-GOEBONIOSA-N 354.318 2.060 30 40 FEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)c(OC)c1 4474982 USHYQJVTSVUMHD-HAASJPAPSA-N 352.390 2.235 30 40 FEEB O=C1COc2cc(/C(O)=N/S(=O)(=O)c3ccccc3Cl)ccc2N1 48577027 FPKRIPLKORQRNU-UHFFFAOYSA-N 366.782 2.364 30 40 FEEB O=C1Nc2ccc(Br)cc2/C1=N/NC(=S)N1CCCC1 6101930 RACUHJUBGVSDIN-UHFFFAOYSA-N 353.245 2.076 30 40 FEEB N#CCCN(C(=O)CSc1nc(N)cc(=O)[nH]1)c1cccc(Cl)c1 17747772 UVJAGLDJFLBXIT-UHFFFAOYSA-N 363.830 2.044 30 40 FEEB O=C(NCC#CCN1CCc2ccccc2C1)c1ccc2nsnc2c1 75165043 KIGMDZKMOSCQIP-UHFFFAOYSA-N 362.458 2.483 30 40 FEEB Cc1occc1C(=O)N1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1 96109104 VYGGDKIKOZFIIT-BEFAXECRSA-N 353.378 2.022 30 40 FEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1CC 16741016 WLPQJYLVUCMHDA-SZGQWAQFSA-N 352.481 2.260 30 40 FEEB C=CCn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O 4249241 ZCIWOXKTRRGTLL-UHFFFAOYSA-N 371.828 2.278 30 40 FEEB COc1cc2c(cc1OC)[C@@H]1[C@H](C)C(=O)C3=C(CSCC3=O)N1CC2 4580263 YIFQANBRSXPXSB-YPMLDQLKSA-N 359.447 2.392 30 40 FEEB C[C@](C#N)(NC(=O)CN1CCN(Cc2cccc(Cl)c2)CC1)C1CC1 22925550 CODCZEHIANYXPU-LJQANCHMSA-N 360.889 2.266 30 40 FEEB COc1ccccc1[C@@H](CNC[C@@H](O)COc1ccc(C#N)cc1)N(C)C 23248957 PGGBLDARDSORPT-YLJYHZDGSA-N 369.465 2.199 30 40 FEEB C=CCn1c(N)c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc21 2290893 HUOKONIPNSYRAG-GFCCVEGCSA-N 351.410 2.262 30 40 FEEB Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCCn1ccnc1 2802009 DYFDYMHCKKCTMU-WOJGMQOQSA-N 354.370 2.088 30 40 FEEB COCCn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 3351314 XMJVSABXSCLTPC-UHFFFAOYSA-N 363.468 2.077 30 40 FEEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Cn2cncn2)cc1 14148131 VFGUUVYUYQKZEF-UHFFFAOYSA-N 367.390 2.055 30 40 FEEB COc1ccc([C@@]2(C)NC(=O)N(CCOc3ccc(C#N)cc3)C2=O)cc1 8889531 XAQGSRLMMPOVBV-HXUWFJFHSA-N 365.389 2.413 30 40 FEEB CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@]1(C=O)NC(=O)OC(C)(C)C 218671670 AAMZJKGABLTRPA-VBQJREDUSA-N 371.430 2.189 30 40 FEEB Cc1ccc(/C(O)=N/[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)c(O)n1 329075985 PQWAVVSQPGFDHQ-RHSMWYFYSA-N 369.425 2.028 30 40 FEEB C#CCN(Cc1ccc(F)cc1)C(=O)Cn1c(=O)n(C)c2ccccc21 58113772 HUOKVAFWOLBBHA-UHFFFAOYSA-N 351.381 2.141 30 40 FEEB C=CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCC 59139621 SMIARXJBFAFAAS-UHFFFAOYSA-N 360.435 2.249 30 40 FEEB C=CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 2651009 SYZMWBSGQCTNHE-UHFFFAOYSA-N 360.435 2.193 30 40 FEEB O=C(O)COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1Cl 408843635 GROXFRKSCWBIQO-UFWORHAWSA-N 358.737 2.434 30 40 FEEB O=C(O)COc1c(Br)cc(/C=N/O)cc1Br 409066715 MCIXUJYSYRGGQH-KGVSQERTSA-N 352.966 2.483 30 40 FEEB CCc1cc(C(=O)NC2(C#Cc3cncc(C(N)=O)c3)CCCCC2)no1 12276625 ODWCYVOISFWPKH-UHFFFAOYSA-N 366.421 2.215 30 40 FEEB C=CCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(C)c2)n(C)c1=O 12374074 ADDLJDFMFJLSJT-CQSZACIVSA-N 365.437 2.179 30 40 FEEB COC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nncn1C 6239750 ZCLQELDCDIITPO-MHWRWJLKSA-N 370.232 2.268 30 40 FEEB C=CCO[C@H]1CCN(C(=O)c2cccc(=O)n2C)[C@H]1Cc1ccccc1 2055719499 WKSCKMLLRNGEJT-OALUTQOASA-N 352.434 2.414 30 40 FEEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2CCO)cc1 102566466 GMRWMOQWGYXZNW-SELCWUDQSA-N 367.401 2.418 30 40 FEEB C=CCN(CC=C)C[C@H](O)Cn1c2c(c3ccccc31)CCN(C)C2=O 1106025 XSHTYTJOSPFREE-INIZCTEOSA-N 353.466 2.304 30 40 FEEB biogenic N#CCc1ccc(NC(=O)Cn2cc(I)cn2)cc1 1432140 BWGPOWYRRJXVHG-UHFFFAOYSA-N 366.162 2.192 30 40 FEEB CCOC(=O)N1CCc2c(sc(NC(=O)CN(CC)CC)c2C#N)C1 4335111 NQEULCLXETYICM-UHFFFAOYSA-N 364.471 2.415 30 40 FEEB O=C1CN(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)C(=S)N1 6514562 HKJIQMDMUOPLCF-UHFFFAOYSA-N 350.399 2.353 30 40 FEEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 15595083 DCCZTAONVIECJG-UHFFFAOYSA-N 359.407 2.069 30 40 FEEB CCOC(=O)C1=C(C)O[C@@](C)(/N=C(/C#N)C(=O)OC)[C@@H]1c1ccccc1 17176132 SIZIZLMFQYOYHY-WYFTXUQMSA-N 356.378 2.491 30 40 FEEB N#Cc1ccc(CN2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)cc1 25248165 MUIKYPSIWOOHMN-UHFFFAOYSA-N 372.432 2.097 30 40 FEEB N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 32850817 YAJYEDMEJJWDSX-GOSISDBHSA-N 369.446 2.296 30 40 FEEB COc1cccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)c1 36241171 JYEADFQEUUILIK-HXUWFJFHSA-N 363.373 2.217 30 40 FEEB COc1cc2nc(SCc3cccc(C#N)c3)n(N)c(=O)c2cc1OC 71768854 MHUFJGCSZXTZMK-UHFFFAOYSA-N 368.418 2.291 30 40 FEEB Cc1csc([C@@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 75976669 RTXVBIDAHSSQGJ-CYBMUJFWSA-N 356.455 2.311 30 40 FEEB OC[C@H](O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103537061 HYEQDVNUDQKZOF-BYPYZUCNSA-N 374.146 2.460 30 40 FEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 225488696 PADSHIXRMUMAGK-MRXNPFEDSA-N 351.410 2.144 30 40 FEEB N#CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 408820272 WMBKIODCBLFVHO-NTCAYCPXSA-N 363.398 2.420 30 40 FEEB CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CN2CCC1CC2 593461884 STJDSOZLYWKYJI-MRXNPFEDSA-N 362.271 2.416 30 40 FEEB Cc1nc(N2CC[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)c2ccncc2n1 1889186702 BXCNBGGCKRRPQP-QAPCUYQASA-N 357.421 2.315 30 40 FEEB CCc1ncc(/C(O)=N/S(=O)(=O)c2cccc(C(=O)OC)c2)s1 58194344 LXWYAWVMEVBQJX-UHFFFAOYSA-N 354.409 2.186 30 40 FEEB N#Cc1ccc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cn1 301535813 TXLIOOQVCDNHMS-UHFFFAOYSA-N 361.449 2.055 30 40 FEEB N#Cc1c(-c2ccccc2)nc(SCC(=O)NC2CCCC2)[nH]c1=O 5239088 DBIHNFHNUSLJQE-UHFFFAOYSA-N 354.435 2.459 30 40 FEEB CCS(=O)(=O)c1ncc(Cl)c(/C(O)=N/c2ccccc2[N+](=O)[O-])n1 8915257 VOKSRYWLDVWSOU-UHFFFAOYSA-N 370.774 2.468 30 40 FEEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 245229142 OHIXNIFYWWSXSB-VPVFXJHMSA-N 352.481 2.334 30 40 FEEB O=C(Nc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2)cc1)[C@@H]1CCCO1 1053910 GXVKYWLFDPWDFG-INIZCTEOSA-N 374.418 2.498 30 40 FEEB N#Cc1ccccc1NC(=O)C(=O)NCC1CCN(Cc2ccco2)CC1 23127473 REHYUAUGOUBETI-UHFFFAOYSA-N 366.421 2.118 30 40 FEEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(=O)O)[C@@H]2c2ccccc2)cc1 102721924 BAGVQABBARUCCW-GROYHEBESA-N 367.357 2.202 30 40 FEEB CN(C)CCOc1ccc2c(c1)C(=O)/C(=C/c1ncc([N+](=O)[O-])n1C)C2 1562705 JJRNMSJFNVLPDG-UKTHLTGXSA-N 356.382 2.091 30 40 FEEB N#CC(C#N)=c1s/c(=C\c2cccs2)c(=O)n1-c1ccc(F)cc1 3299952 GSNKRTCJNHOBFS-NVNXTCNLSA-N 353.403 2.126 30 40 FEEB O=C[C@H]1O[C@@H](c2ccccc2)O[C@H]1[C@H]1O[C@@H](c2ccccc2)O[C@H]1C=O 5082720 GHAPAWIWLGQUGN-YUNYCSSDSA-N 354.358 2.350 30 40 FEEB CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(Cl)c1 5489124 YGPQNTCBJQJNRN-XKJOCENUSA-N 358.872 2.270 30 40 FEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccn1 8997674 UDUNVSWUSYSZOZ-DPEHCCBOSA-N 357.435 2.126 30 40 FEEB N#CCCn1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCC2)n1 84522134 VTBBMTOSLRAZFJ-KRWDZBQOSA-N 351.410 2.393 30 40 FEEB C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)c1=N 101269125 SUVXHHSNTZIVCJ-UHFFFAOYSA-N 365.437 2.009 30 40 FEEB CCOCCn1c(C#N)cc(N)c1N1CCN(Cc2ccccc2)CC1 225872300 FIUNGBAGUGXWBF-UHFFFAOYSA-N 353.470 2.301 30 40 FEEB CC(=O)C1=C(C)N=C(N[N+](=O)[O-])N[C@@H]1c1ccc(Br)cc1 408730256 GKRXCDBNVFINDE-GFCCVEGCSA-N 353.176 2.094 30 40 FEEB O=C(O)c1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408742248 VOHUNUZUPRHOGU-LEBHLANCSA-N 367.386 2.151 30 40 FEEB