smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nc(CN2CCCN(Cc3ccc(F)cc3C#N)CC2)no1 75603224 VIDZTGWQDOFYHB-UHFFFAOYSA-N 329.379 2.097 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cnn(C)c2)s1 78556462 VSUATEVXXULJSD-WDEREUQCSA-N 325.415 2.239 30 40 EEEB CS(=O)(=O)/N=C(\O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 96416145 FMNZYPMREUSMLT-UHFFFAOYSA-N 333.291 2.155 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2-n2cccn2)cc1 97379206 PUHVDGMBWFVQPI-UHFFFAOYSA-N 345.362 2.112 30 40 EEEB CC1(C)OB(c2ccc(C(=O)N3CCSCC3)cc2)OC1(C)C 382630703 AYJSBTPWXLYLGU-UHFFFAOYSA-N 333.262 2.175 30 40 EEEB CN(/N=C/c1cccc([N+](=O)[O-])c1)C1=NS(=O)(=O)c2ccccc21 88932 XLMUENQCGZWMCX-MHWRWJLKSA-N 344.352 2.010 30 40 EEEB C=CCN1C(=O)N=C(O)/C(=C/Nc2ccc(NC(C)=O)cc2)C1=O 103226447 UJYFKYDUYZMRLS-LCYFTJDESA-N 328.328 2.046 30 40 EEEB COc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)N2CCCC2)cc1OC 103502591 MIWZZPKQMXGLNF-DYLGSBMWSA-N 328.368 2.048 30 40 EEEB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)C(C)(C)C#N 28724830 SGUCMNZUVNBYMI-CQSZACIVSA-N 340.431 2.021 30 40 EEEB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1 24528724 MRCCNFAVDLKJIG-ZDUSSCGKSA-N 349.394 2.153 30 40 EEEB Cc1ccsc1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 26176024 LKYUYGDYSKNWRW-UHFFFAOYSA-N 341.440 2.355 30 40 EEEB N#Cc1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1 27777714 MLRCMCIPPPSWHM-UHFFFAOYSA-N 325.334 2.449 30 40 EEEB C[C@]1(c2ccsc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 58357375 YTCZBUZJLHBAEB-QGZVFWFLSA-N 341.392 2.466 30 40 EEEB CC(=O)N/C(=N/c1nc(C)cc(C)n1)Nc1ccc(NC(C)=O)cc1 2279969 JYLNCABJYFEHAR-UHFFFAOYSA-N 340.387 2.288 30 40 EEEB C=CCn1c(SCC(=O)NC(=O)NCC)nnc1-c1ccccc1 3517978 JIPVKEDDABJEMZ-UHFFFAOYSA-N 345.428 2.069 30 40 EEEB COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)NC(=O)N1 6668047 SGYBCDQFLNSPMR-HNNXBMFYSA-N 336.347 2.351 30 40 EEEB N#Cc1cccc(OC[C@H]2CO[C@@H]3CN(c4ncc(F)cn4)C[C@@H]32)c1 96219086 BVERNJZUIZPWIU-IAOVAPTHSA-N 340.358 2.018 30 40 EEEB CSc1nc(N(C)/N=C(/C)c2cccc([N+](=O)[O-])c2)cc(=O)n1C 17313694 FJLAHXYGLWHKOC-YVLHZVERSA-N 347.400 2.271 30 40 EEEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1 169616435 FEIFNQZDWYBITD-QIYCMDDBSA-N 325.324 2.126 30 40 EEEB COC/C(O)=N/c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 1279624 MOVOJKLYPOBHAC-SNVBAGLBSA-N 335.751 2.098 30 40 EEEB C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)NCCC1=CCCCC1 7046103 ASACDKGQWSAQLQ-NSHDSACASA-N 331.445 2.418 30 40 EEEB CCOC(=O)C1=C(NC(C)=O)S[C@@H]2C(Cl)=C(/C=N\O)CC[C@@H]12 103899484 IZWZFDZCMRHNNA-ZPHQFFJPSA-N 344.820 2.376 30 40 EEEB C=CCSC/C(O)=N/S(=O)(=O)c1cc(OC)ccc1OC 48493398 LUVMWZKRDZOIBP-UHFFFAOYSA-N 331.415 2.268 30 40 EEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 5216348 SDBGKGISJZKUGD-UBQVSUSGSA-N 338.454 2.006 30 40 EEEB CCC[C@@H](C#N)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96419258 YZNCLDOFSAXCDZ-NSHDSACASA-N 330.356 2.034 30 40 EEEB N#Cc1cnc(SCC(=O)Nc2ccc(F)c(F)c2F)nc1N 4935422 OJDANMMWQPYDQC-UHFFFAOYSA-N 339.302 2.079 30 40 EEEB COC(=O)N1CCC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 71803813 SYNDLOJACONBRD-NWDGAFQWSA-N 327.340 2.482 30 40 EEEB COc1cc(C/N=C(/N)NCC2CCC2)ccc1OC[C@H]1CCCO1 69809875 UNGIEVRXUNNBBW-MRXNPFEDSA-N 347.459 2.457 30 40 EEEB N#CCCn1cc(CN2CCC3(C2)OCCO3)c(-c2ccccc2)n1 93012952 JKSRVMHNNKQBTM-UHFFFAOYSA-N 338.411 2.413 30 40 EEEB CC(C)[C@@H](CC#N)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 72310789 BLAOWZORQVCAIZ-GXTWGEPZSA-N 344.367 2.250 30 40 EEEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCc2c(ncn2C2CC2)C1 89448592 FIGNVXOSBAUQMJ-CQSZACIVSA-N 341.459 2.307 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218337112 RTICLIAEWARKHG-VNHYZAJKSA-N 341.816 2.314 30 40 EEEB Cn1cc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)cn1 69738288 RPJCFSDRLMZFCP-UHFFFAOYSA-N 343.184 2.417 30 40 EEEB CC(C)(C#N)c1ccccc1CN1CCC[C@@H](N2CCNC2=O)C1 95425729 BEVLVGUQCAKCKU-MRXNPFEDSA-N 326.444 2.477 30 40 EEEB CN(C(=O)CN1CCC[C@@H]1c1cnn(C)c1)C1(C#N)CCCCC1 69968244 YCSCXWNWQYLSGS-MRXNPFEDSA-N 329.448 2.242 30 40 EEEB CCOc1ccc(/C(O)=N/c2nnnn2C)cc1Br 514916 KTCSTVNLAQZMAB-UHFFFAOYSA-N 326.154 2.008 30 40 EEEB C=CCN(CC=C)C(=O)[C@@H](C)n1nc(-c2cccs2)cc(N)c1=O 12181338 PZLQEHMQBYHMBA-GFCCVEGCSA-N 344.440 2.316 30 40 EEEB CCOC(=O)c1cc(C#N)c(S[C@H]2CCCCNC2=O)nc1C 10673308 HZYLCWCWSNWIPI-ZDUSSCGKSA-N 333.413 2.199 30 40 EEEB N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=O)N3 4784753 QFRCSMYVSDZNDF-SFUIVIKGSA-N 332.363 2.318 30 40 EEEB N#Cc1cccnc1NCc1ccc(S(=O)(=O)NC2CC2)cc1 52340433 LZBZWMYWFFSZAU-UHFFFAOYSA-N 328.397 2.006 30 40 EEEB COc1ccc([C@H]2CCCCCN2C(=O)Cn2cnc(C#N)n2)cc1 53619467 WRRZYDILGBKCMA-MRXNPFEDSA-N 339.399 2.302 30 40 EEEB C=CCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10335412 BODRUPIDLWKSAZ-LLVKDONJSA-N 330.837 2.105 30 40 EEEB N#Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 45837827 FCUWXAYBZSTDHP-UHFFFAOYSA-N 337.257 2.283 30 40 EEEB NS(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 2623899 ORXCGXHVOYBNNM-PCKQUGLBSA-N 346.368 2.353 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100386533 TTZLOJRHGLDNSU-WZJIXWIVSA-N 336.391 2.472 30 40 EEEB CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC#N 6387885 ABMDQRIQJUOSBY-UHFFFAOYSA-N 331.324 2.207 30 40 EEEB COc1cccc(/C=N/Nc2nc3ccccc3n3cnnc23)c1O 4793411 WBDRUDFQAILJPA-GIJQJNRQSA-N 334.339 2.438 30 40 EEEB C#CCCN1CCC(NC(=O)c2ccn(-c3ccccc3F)n2)CC1 71916666 DURDTZSWUULECN-UHFFFAOYSA-N 340.402 2.229 30 40 EEEB C[C@H](CNC(=O)C1(C#N)CCCC1)N1CCN(c2ccccc2)CC1 72009071 PVPMFOBRGLCGGI-QGZVFWFLSA-N 340.471 2.397 30 40 EEEB Cc1cc(C)n(C[C@H](C)CNC(=O)C#Cc2ccc3c(c2)OCO3)n1 89594002 KCMJBLRSYYWODC-CYBMUJFWSA-N 339.395 2.033 30 40 EEEB CCc1nc(CN/C(=N/C)NC[C@H]2COc3ccccc3O2)cs1 78254583 SPNKTISBCMTPOL-ZDUSSCGKSA-N 346.456 2.211 30 40 EEEB N#Cc1nn(-c2ccccc2)nc1N1CCN(Cc2ccccc2)CC1 256048137 QYQGAHOLYQCVQV-UHFFFAOYSA-N 344.422 2.461 30 40 EEEB C#CCOCCN(C)C(=O)Nc1cc(N2CCOC2=O)ccc1C 1615615437 XEEGITSCDMRXJI-UHFFFAOYSA-N 331.372 2.065 30 40 EEEB Cc1cc(C)c2ncc(C#N)c(NCCN3CCCS3(=O)=O)c2c1 96429303 BSEGMTBJLLLIPQ-UHFFFAOYSA-N 344.440 2.171 30 40 EEEB CC(C)(C)c1ccc(OC[C@@H]2CCN(c3nccc(C#N)n3)C2)nn1 1888844027 ALDHPSNZRISCEB-CYBMUJFWSA-N 338.415 2.341 30 40 EEEB C=CCNC(=O)Cn1c(CO)cnc1SCc1ccccc1F 9827541 YAGNSXKMAGZTLK-UHFFFAOYSA-N 335.404 2.109 30 40 EEEB Cc1ccc(-c2nnn(CC(=O)NC3(C#N)CCCCCC3)n2)cc1 40050446 AIRPJRDJWAMYIH-UHFFFAOYSA-N 338.415 2.381 30 40 EEEB CCc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CC(OC)OC)cc1 813452 LDWJLBOXIBSYLK-MRXNPFEDSA-N 333.384 2.152 30 40 EEEB CC(=O)C1=C(c2ccc(Cl)cc2)N(C(C)=O)n2cnnc2S1 4518278 RSANQJKRGPWTFR-UHFFFAOYSA-N 334.788 2.480 30 40 EEEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCCc1ccccn1 29162695 AZWJGYKUPLDVPW-AWEZNQCLSA-N 347.378 2.460 30 40 EEEB CC(C)C[C@@](C)(C#N)NC(=O)Cn1cccc(C(F)(F)F)c1=O 69484101 FWDWQYZZHPKSQV-AWEZNQCLSA-N 329.322 2.312 30 40 EEEB Nc1ncnc(N/N=C/c2cccc(Br)c2)c1[N+](=O)[O-] 5446932 NNSBAKQXBYXGOP-FZSIALSZSA-N 337.137 2.176 30 40 EEEB Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1C#N 91757599 XAZAEEQDEKERBS-GUYCJALGSA-N 343.333 2.488 30 40 EEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 222246352 SJTWWZJWUQMHCH-XSNIVNFISA-N 340.379 2.235 30 40 EEEB CCOC(=O)/C(=C\Nc1ccccc1C(=O)OC)C(=O)C(F)(F)F 100038271 PLAQKTYFVKYFKJ-NTMALXAHSA-N 345.273 2.464 30 40 EEEB CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1cccc(C#N)c1 52580441 OARLPGDRBKALTH-ZWKOTPCHSA-N 327.428 2.160 30 40 EEEB N#Cc1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1 32914871 RXAAKIQQZGASMR-UHFFFAOYSA-N 327.771 2.371 30 40 EEEB C=CCN(C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1 14157813 PDLYPEHNQRJTMO-IBGZPJMESA-N 349.434 2.118 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(N2CCCC2)o1 409409181 UAWXGTVPGFYXKT-GVAFMPQTSA-N 325.368 2.021 30 40 EEEB CC(C)C[C@@H](NC(=O)c1sccc1C#N)C(=O)Nc1cc[nH]n1 84295313 PELKWNGBPSDDNC-LLVKDONJSA-N 331.401 2.126 30 40 EEEB CC[C@@H](CN/C(=N/C)NCc1cnn(C)c1)Oc1cccc(F)c1 95975025 QCNBXBVZXDESCZ-HNNXBMFYSA-N 333.411 2.082 30 40 EEEB N#Cc1cccnc1N1CCCN([C@H]2Cc3ccccc3[C@H]2O)CC1 95987207 XSMAKLFDJFNHDI-RBUKOAKNSA-N 334.423 2.124 30 40 EEEB CCOc1ccccc1/C=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 31614221 YLYDEZBGUCZTTN-WJDWOHSUSA-N 349.368 2.306 30 40 EEEB Cn1cc(-c2ncnc3c2CCN(Cc2cccc(C#N)c2)CC3)cn1 96255196 SMKWZEJWSGSYTP-UHFFFAOYSA-N 344.422 2.350 30 40 EEEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCNC(=O)CC1 96416994 DTZHRNDVRCPJGU-UHFFFAOYSA-N 342.317 2.232 30 40 EEEB N#Cc1cc(F)ccc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 96429116 ZSKSJIVBSXDLSL-GOSISDBHSA-N 338.386 2.046 30 40 EEEB COc1ccc(NC(=O)[C@H](Cc2cccs2)/C(N)=N/O)cc1OC 4169795 QLKBYQJPDRPNLY-GFCCVEGCSA-N 349.412 2.309 30 40 EEEB C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1ccc([N+](=O)[O-])cc1 6905130 OUXYHSJTTIYQJZ-GFCCVEGCSA-N 346.368 2.447 30 40 EEEB N#Cc1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 3223265 FWJPWKFPJOWMOJ-UHFFFAOYSA-N 339.370 2.425 30 40 EEEB CC(C)CN1CCC[C@H]1CNC(=O)COc1ccc(CC#N)cc1 89840185 QUHNUZYTLVZMAK-KRWDZBQOSA-N 329.444 2.368 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c1 29967302 JHTJTNGKXORRJA-UHFFFAOYSA-N 330.365 2.340 30 40 EEEB C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2c(c1)CCC(=O)N2 96491029 HAHPHOOSGGJXDF-BLVKFPJESA-N 340.427 2.030 30 40 EEEB Cc1nc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)oc1C 71824717 IMDSTUGTGBXSMP-UHFFFAOYSA-N 327.388 2.351 30 40 EEEB N#Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c[nH]1 97048223 MKBXPBSMUWFOGU-UHFFFAOYSA-N 345.362 2.464 30 40 EEEB COc1ccccc1[C@H](C#N)NC(=O)c1ccccc1-n1ccnn1 96009658 OHDLTWAMIBLHSY-HNNXBMFYSA-N 333.351 2.271 30 40 EEEB N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)c1 565883942 SJTVTRTVIRFLCW-LBPRGKRZSA-N 331.763 2.403 30 40 EEEB Cc1noc([C@@H]2CCCCN2S(=O)(=O)c2cccc(C#N)c2)n1 41123263 KMBHWHMYZZZGIY-AWEZNQCLSA-N 332.385 2.166 30 40 EEEB C=CCN1C(=O)CC[C@]12CCCN(S(=O)(=O)c1ccccc1)CC2 96217845 KVWNDMHJALSBCD-SFHVURJKSA-N 348.468 2.408 30 40 EEEB C=CCNC(=O)CN(Cc1ccc(F)cc1)c1cccc(C(N)=O)c1 69701967 MDCGSKHBPRNOGG-UHFFFAOYSA-N 341.386 2.233 30 40 EEEB CC[C@H](CNC(=O)c1c[nH]c2nccc-2c1)N=c1cc(C)[nH]cc1C#N 1103218787 YNFFHYQMZREUEN-MRXNPFEDSA-N 348.410 2.132 30 40 EEEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 2631754 DGJGSFJJQVPPMO-LICLKQGHSA-N 332.381 2.314 30 40 EEEB Cc1nc2ncnn2c(C)c1CCC(=O)OCc1ccc(C#N)cc1 6083395 RHVRCKXBIVUIQU-UHFFFAOYSA-N 335.367 2.289 30 40 EEEB COC(=O)[C@@]1(C(F)(F)F)N=C(N(C)C)OC2=C1C(=O)CC(C)(C)C2 40284250 VQYUYESBTVQVSX-AWEZNQCLSA-N 348.321 2.052 30 40 EEEB C[C@]1(c2ccsc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 58223859 JPKJPHQCDDITDR-QGZVFWFLSA-N 341.392 2.466 30 40 EEEB CCCCNC(=S)N(C)/N=C/c1cc(OC)c(O)c(OC)c1 3309494 FADSKUYYTISDQA-LICLKQGHSA-N 325.434 2.350 30 40 EEEB CC(=O)Nc1cc(/C(O)=N/S(=O)(=O)c2cccnc2)ccc1C 48532637 BNZPWRZMWIPYPJ-UHFFFAOYSA-N 333.369 2.042 30 40 EEEB C=CCn1c(S)n[n+]2c(N)c(C#N)c(-c3cccs3)c(C#N)c12 17173200 HYXVZDGFAVLFTE-UHFFFAOYSA-O 339.429 2.151 30 40 EEEB CCOC1CCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1 71820683 DETFDOAQQTZVIB-UHFFFAOYSA-N 342.443 2.197 30 40 EEEB CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C=O 72233787 GXVOIJWTXUNBIQ-OAHLLOKOSA-N 348.399 2.443 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(-c2nc[nH]n2)cc1 72277615 LNZSXPMFYLDICQ-UHFFFAOYSA-N 349.350 2.369 30 40 EEEB C[C@@H]1CCc2ccccc2N1CCC(=O)NC1(C#N)CCOCC1 73729958 ZTPJMMBWTUVJHL-OAHLLOKOSA-N 327.428 2.407 30 40 EEEB CCn1cnnc1CN/C(=N/C)NCC1(Sc2ccccc2)CC1 95963020 HTSLIHXNNXZSEP-UHFFFAOYSA-N 344.488 2.288 30 40 EEEB O=C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218163648 KWPBYEPKJUBWFD-KBRIMQKVSA-N 330.361 2.170 30 40 EEEB C=CCN(C(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 58642328 DUMBMTRQZSUOTN-UHFFFAOYSA-N 334.379 2.401 30 40 EEEB C=C(C)COCCNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 96474899 FPTRRMARRAEAHD-CYBMUJFWSA-N 338.839 2.206 30 40 EEEB CC[C@](C)(CCO)NC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 95972105 MUBBUBOGZNHOEP-LJQANCHMSA-N 344.459 2.377 30 40 EEEB COc1ccc(/C=N/OCC(=O)Nc2ccccc2C(=O)O)cc1 5320680 IGDBIZCTMFFFGP-VCHYOVAHSA-N 328.324 2.383 30 40 EEEB Cc1cccn2c(=O)c3cc(C#N)c(=N)n(Cc4ccccc4)c3nc12 100861830 KAKRWJCFTZSMME-UHFFFAOYSA-N 341.374 2.357 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 535241 XBZWIIGDTOHFDK-INIZCTEOSA-N 343.358 2.397 30 40 EEEB N#C[C@H](C(=O)NC1CC1)C(=O)c1cc(F)cc(Br)c1 103504813 RTWOFQYATIALKH-NSHDSACASA-N 325.137 2.189 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100386532 TTZLOJRHGLDNSU-FWHDYIJQSA-N 336.391 2.472 30 40 EEEB C=CCn1c(=O)c(C(=O)Nc2nnc(C)s2)c(O)c2ccccc21 100512697 YFDNONJBQQDSJA-UHFFFAOYSA-N 342.380 2.305 30 40 EEEB CC(=O)C1=C(C)NC(=NC#N)N[C@@H]1c1ccc(Br)cc1 408730567 ICOXJZIBBPKDMT-CYBMUJFWSA-N 333.189 2.383 30 40 EEEB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1 3474604 XXDWQZUYBGOIED-UHFFFAOYSA-N 338.319 2.140 30 40 EEEB N#Cc1cccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)c1 12936117 NDZZNMSBAFQHIC-UHFFFAOYSA-N 329.743 2.328 30 40 EEEB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 409411824 LRKGATDVVYCAHR-UHFFFAOYSA-N 340.339 2.192 30 40 EEEB N#Cc1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 5261962 HBIBBLCMYCXTAG-UHFFFAOYSA-N 335.772 2.111 30 40 EEEB C=CCN(CC(=O)NCC(C)C)S(=O)(=O)c1cccc(Cl)c1 14254999 HKNHKMJBQPUPCE-UHFFFAOYSA-N 344.864 2.289 30 40 EEEB Cc1c(C(=O)N[C@]2(C#N)CCSC2)nnn1-c1ccccc1Cl 69900220 KRXAATZDLBBKLM-HNNXBMFYSA-N 347.831 2.358 30 40 EEEB Fc1ccccc1Cn1cc(/C=N/Nc2nn[nH]n2)c2ccccc21 408977208 VXKAWOZRLFBPAQ-DJKKODMXSA-N 335.346 2.788 30 40 EEEB C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 131980588 AKJDEWVPGGQFPM-SNVBAGLBSA-N 327.306 2.490 30 40 EEEB C=CCN1CCC(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)CC1 226747712 BOQUIDIJBHDHON-KRWDZBQOSA-N 333.457 2.398 30 40 EEEB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccc(C#N)c2)nn1 96184868 NOPATBBSKOLNNG-DLBZAZTESA-N 333.395 2.150 30 40 EEEB Cc1ncc(CN2CC[C@@H](Nc3nccnc3C#N)[C@H](C)C2)s1 96419453 BOWLQIKOJRTRTF-BXUZGUMPSA-N 328.445 2.436 30 40 EEEB N#Cc1ccc(C(=O)N2CCn3cc(CN4CCCC4)nc3C2)cc1 96197240 FJPOJLZUKBPELQ-UHFFFAOYSA-N 335.411 2.007 30 40 EEEB CCOC(=O)/C(=N/NC1=C(C)[C@H](C)[C@H](c2ccccc2)C1=O)C(C)=O 1554503325 CQJZNFDEYNYICN-XNLDHYGHSA-N 342.395 2.361 30 40 EEEB O=C1C=CC(=NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C=C1 5610811 RFAZZRJBXLWTHJ-UHFFFAOYSA-N 338.344 2.230 30 40 EEEB biogenic N#Cc1cccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 32707217 AKXSYGKEGVAAKR-UHFFFAOYSA-N 349.390 2.212 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 56906498 HZAUUTSDMLOGIU-ZDUSSCGKSA-N 349.799 2.061 30 40 EEEB N#Cc1ccc(OC[C@H](O)COc2cc(F)ccc2[N+](=O)[O-])cc1 8726194 FUKJKRZHFWWZHI-ZDUSSCGKSA-N 332.287 2.424 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 102763974 CRSDJVYQDKHUAH-MRXNPFEDSA-N 335.363 2.032 30 40 EEEB C[C@@H](C(=O)N(C)CCC#N)N1CCO[C@H](c2ccc(Cl)cc2)C1 52248188 FRVIKRXZTWPNKD-BBRMVZONSA-N 335.835 2.474 30 40 EEEB N#CCN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccccc1 53612510 GNLXTPXOQBHTDM-ZWKOTPCHSA-N 327.428 2.182 30 40 EEEB C=CCOc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1OC 44891428 RGVRDGYBUMFVJL-UHFFFAOYSA-N 348.443 2.101 30 40 EEEB COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3ccc(C)o3)C2=O)cc1 3579652 VODAGDGLIRWPAO-HJSBDDGSSA-N 327.340 2.398 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C(=O)NCc1ccco1 71904095 VHYOPVOXROIYQR-INIZCTEOSA-N 340.339 2.345 30 40 EEEB CN(CCO)C(=O)c1cccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c1 71911540 YJWPWRLXBUAHEG-UHFFFAOYSA-N 341.323 2.323 30 40 EEEB N#Cc1ccc(N2CC[C@H](NC[C@H]3CCCn4ccnc43)C2=O)cc1 89780994 VPEUIVQMGIGOGU-WBVHZDCISA-N 335.411 2.027 30 40 EEEB C/C(=N\c1cc(-c2cccc(F)c2)n[nH]1)c1c(O)[nH]c(=O)sc1=O 35622399 INPWXANNWIKPIW-REZTVBANSA-N 346.343 2.172 30 40 EEEB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 597955359 WRMDIYYAEQIOFO-BLLLJJGKSA-N 327.388 2.000 30 40 EEEB CC(=O)N(C)C/C(O)=N/S(=O)(=O)c1cc(C(C)(C)C)ccc1C 48471714 HWMCPCGOSWUZEP-UHFFFAOYSA-N 340.445 2.416 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccccc2C#N)C1 78879418 ZMMXFHUBXXJDRL-AWEZNQCLSA-N 345.399 2.063 30 40 EEEB CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@@H]1COCC[C@@H]1C#N 1616037617 LIESKCZMFBHROF-IAGOWNOFSA-N 347.440 2.029 30 40 EEEB C=CCN1C(=O)N[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 12974314 MZNMTAKMAZFUAD-OAHLLOKOSA-N 344.367 2.173 30 40 EEEB N#Cc1ccccc1COC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 101246802 VQSSAGUXEBQMPU-QGZVFWFLSA-N 348.358 2.120 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 103508184 VHRHGXZNTJOSPW-DLBZAZTESA-N 348.358 2.209 30 40 EEEB N#Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3221699 PGRDFPRFXPDDOM-UHFFFAOYSA-N 337.379 2.412 30 40 EEEB COc1cc(/C=C2/C(=O)c3ccccc3S(=O)(=O)N2C)ccc1O 9047419 RXRFWPWFSWLGEP-LCYFTJDESA-N 345.376 2.259 30 40 EEEB CCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C)cc1OCC 4368060 WZIONJNSCBDVFC-LICLKQGHSA-N 331.376 2.107 30 40 EEEB CC(C)c1ncncc1C(=O)NCCNc1cccc(F)c1C#N 65439806 KFGHIWVGEVHMIR-UHFFFAOYSA-N 327.363 2.453 30 40 EEEB C/C(=N/N=C1\NC(=O)[C@H](CC(=O)O)S1)c1ccc(OC(C)C)cc1 4825508 AJUFRNLOQAHIQY-VQIMKDEXSA-N 349.412 2.260 30 40 EEEB N#Cc1ccsc1N1CC[C@H](N[C@@H]2CCC[C@H]3OCC[C@H]23)C1=O 89885176 VFWQSDONORHYBF-APIJFGDWSA-N 331.441 2.272 30 40 EEEB C=CCNc1ncc(C(=O)NC[C@@]2(O)CCc3ccccc32)s1 95434914 XUCXNAULFWIGDE-KRWDZBQOSA-N 329.425 2.305 30 40 EEEB C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2)C1CC1 514660771 YHUNLZATLMUQBA-LPHOPBHVSA-N 341.459 2.234 30 40 EEEB C#CCOc1c(Cl)cc([C@@H]2CC(=O)N=C3N=CNN32)cc1Cl 409375938 RELQDFRPLVEHHN-NSHDSACASA-N 337.166 2.181 30 40 EEEB O=C1c2ccccc2C(=O)N1CC#CCN1CCc2ccccc2C1 75172923 OJTSGHBFIWSRCB-UHFFFAOYSA-N 330.387 2.344 30 40 EEEB C#CCCCCCOC(=O)c1cnn(C)c1I 585085712 AHXLYBYNVJGQRZ-UHFFFAOYSA-N 346.168 2.375 30 40 EEEB CCOc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCOC)ccc1O 4540512 MVTCMGLSKAHJLZ-INIZCTEOSA-N 349.383 2.112 30 40 EEEB CN(C)[C@@H]1CCC[C@H](NC(=O)NCCOc2ccc(C#N)cc2)C1 89313998 BJRZKVPKXVCFJU-JKSUJKDBSA-N 330.432 2.109 30 40 EEEB Cc1nc(-c2ncccn2)sc1C(=O)N(CCC#N)CCC#N 58342578 NMUFYRTWIPDRGH-UHFFFAOYSA-N 326.385 2.178 30 40 EEEB N#Cc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)O)ccc21 13278449 CLVGGRAIYZKRLY-UHFFFAOYSA-N 328.349 2.008 30 40 EEEB COCCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 4028579 MUTNTWORRQUWBW-INRFCZIPSA-N 337.460 2.140 30 40 EEEB biogenic CN(C)c1ccc(/C=N/[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 18127883 MQGSWEZTORQHAY-SKTBVBMLSA-N 343.383 2.174 30 40 EEEB N#Cc1cccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 84539009 DNJPJFPTOWEYCP-VQTJNVASSA-N 347.418 2.284 30 40 EEEB CC1(C)CN=C(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)S1 75110072 RSEDBUVMDSHVTB-UHFFFAOYSA-N 345.428 2.470 30 40 EEEB C[C@@](NC(=O)c1ccc(C#N)cc1)(C(N)=O)c1cccc(Cl)c1 89905186 LWNCVDWTEFMZFI-KRWDZBQOSA-N 327.771 2.342 30 40 EEEB N#CCCn1ncc2c(NC[C@H](O)c3ccc(F)cc3F)ncnc21 65520108 IYBJVBVEOQTDSD-AWEZNQCLSA-N 344.325 2.164 30 40 EEEB C[C@@H](NC(=O)C#Cc1ccccc1)c1ccccc1NS(C)(=O)=O 80551001 UKRQBFOJUANDAC-CQSZACIVSA-N 342.420 2.287 30 40 EEEB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccccc1C#N 227167543 BBLPHTOIBGGOTJ-UHFFFAOYSA-N 329.337 2.102 30 40 EEEB CC(C)(C)NC(=O)[C@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 69616688 ZGDOCKWWZWZTMP-MRXNPFEDSA-N 342.443 2.266 30 40 EEEB COc1ccc(/C=N/Nc2cc(-n3cc(C)cn3)ncn2)cc1OC 4595711 LWUCFYZWBSFQIS-AWQFTUOYSA-N 338.371 2.434 30 40 EEEB C=CCNC(=O)Cn1nc(-c2cccs2)c2sc(C)nc2c1=O 8956051 LZWXEBPHQBXMJW-UHFFFAOYSA-N 346.437 2.192 30 40 EEEB Cc1ccc(N(CCC#N)C(=O)Cn2cnc([N+](=O)[O-])c2)cc1C 31804818 PACMQSSTNJJIBU-UHFFFAOYSA-N 327.344 2.355 30 40 EEEB C=CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908693 KKHJGBIRUSYQPY-JCKWVBRZSA-N 346.358 2.039 30 40 EEEB CCOC(=O)C1=C(NC(C)=O)S[C@@H]2C(Cl)=C(/C=N\O)CC[C@H]12 102525141 IZWZFDZCMRHNNA-SNLNZWDHSA-N 344.820 2.376 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 84475259 DPFWMRCVNMZJNM-BEFAXECRSA-N 346.450 2.391 30 40 EEEB CS(=O)(=O)N(Cc1ccc2c(c1)OCCO2)c1cccc(C#N)c1 58356678 ZNGGVXUFKRRAOO-UHFFFAOYSA-N 344.392 2.296 30 40 EEEB Cc1ccc(/C(N)=N/OCC(=O)NCCc2ccc(F)cc2)cc1F 54269406 SWPJWHZYCLMNOJ-UHFFFAOYSA-N 347.365 2.269 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(\O)C2(c3cccc(Cl)c3)CC2)cn1 48676534 XRLKHAFYHGOJJH-UHFFFAOYSA-N 339.804 2.451 30 40 EEEB O=C1OC2(C(=O)c3ccccc3C2=O)C(C(=O)c2ccccc2)=C1O 5687411 ORSDKNKKKPLOLU-UHFFFAOYSA-N 334.283 2.056 30 40 EEEB CN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O 71900448 WDFYROXWXMAVFO-GFCCVEGCSA-N 342.277 2.066 30 40 EEEB C=C(Br)CNC(=O)NCCc1ccc(NC(C)=O)cc1 69618890 NQJQJFMYYMTHBU-UHFFFAOYSA-N 340.221 2.395 30 40 EEEB C=C(C)CN1CCC(NC(=O)Nc2ccccc2-n2cncn2)CC1 69658565 VWXCQHXWTBITSN-UHFFFAOYSA-N 340.431 2.429 30 40 EEEB N#CCc1ccc(OCC(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 69346100 WIAPTFDSPIMDPX-MRXNPFEDSA-N 349.394 2.326 30 40 EEEB CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 69871687 ARUHLBPXWQWFDG-UHFFFAOYSA-N 341.342 2.351 30 40 EEEB CN1C[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CCC1=O 96415991 AOTYSKVFJJBDKF-SFHVURJKSA-N 348.406 2.224 30 40 EEEB CCCc1nnsc1C(=O)NCC#CCOc1ccccc1OC 90610402 RSRAXCFPFOVRIR-UHFFFAOYSA-N 345.424 2.311 30 40 EEEB C[C@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(C#N)cc2)CC1 85468141 DQFAYTKSXNXKAG-INIZCTEOSA-N 340.471 2.046 30 40 EEEB CC(=O)C(=NNc1ccc(I)cc1)C(C)=O 588074 PMCLSUJYKGOJRV-UHFFFAOYSA-N 330.125 2.237 30 40 EEEB O=C1C=C/C(=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccnc21 17170732 DZHDQRKJWNXBEM-GZTJUZNOSA-N 340.251 2.434 30 40 EEEB C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 19946148 WWKUBHBNQMFXCA-UHFFFAOYSA-N 344.436 2.493 30 40 EEEB Cc1ccnc(OC[C@]23CCC[C@H]2CN(c2nccc(C#N)n2)C3)n1 1888863518 KIPUUJDFKRDJHU-KBXCAEBGSA-N 336.399 2.132 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCC(C)(C)N(C)C 40468561 XFTGSOFVJGGFDR-GFCCVEGCSA-N 341.415 2.162 30 40 EEEB N/C(=N/CCc1ccccc1)SCc1cc(=O)n2ccccc2n1 29495262 FZTRDRUGZHRKED-UHFFFAOYSA-N 338.436 2.485 30 40 EEEB CC1=CC(=O)[C@H](C(=O)/C=C/c2csc(-c3ccccn3)n2)C(=O)O1 102500664 WKPVLWRYSFDOFX-NFAHFFEMSA-N 340.360 2.433 30 40 EEEB COc1ccc(CN2CCN(C[C@@H](C#N)CCC#N)CC2)cc1F 25232579 GUWPNLYTSVABPA-MRXNPFEDSA-N 330.407 2.395 30 40 EEEB N#Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 12900162 BWTXXYIPVWBVMB-IBGZPJMESA-N 335.407 2.362 30 40 EEEB CCCCOc1c(/C=N/Nc2nc(=O)[nH]nc2C)cccc1OC 4368063 UBLZLVCCQDQQSH-LICLKQGHSA-N 331.376 2.107 30 40 EEEB CN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(C#N)cc1Cl 96001942 FXMZDPUCPBDYMH-LBPRGKRZSA-N 328.821 2.401 30 40 EEEB Cc1ccc(NC(=O)[C@H](C)O/N=C(/N)[C@@H](C)n2ccnc2)c(C)c1 72286195 DORMVWGJMNGPJQ-KGLIPLIRSA-N 329.404 2.377 30 40 EEEB N#Cc1cccc(OC[C@H]2CO[C@@H]3CN(Cc4cccnc4)C[C@@H]32)c1 96219294 SHYVADXBKNHCOK-DFQSSKMNSA-N 335.407 2.479 30 40 EEEB CC(C)c1nc(C(=O)N(C)CCCc2n[nH]c(N)c2C#N)cs1 96492428 CISDWLODCZHHJO-UHFFFAOYSA-N 332.433 2.148 30 40 EEEB CCCCN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 256075700 YVEVAAHLEQKBBW-NYLIBXOJSA-N 345.439 2.088 30 40 EEEB N#C[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252516371 SGISAVLCPCVIGQ-BBWFWOEESA-N 331.368 2.268 30 40 EEEB N#Cc1nc(NCc2ccnc(N3CCOCC3)c2)ccc1Cl 299679740 VEKVONDENZJPTB-UHFFFAOYSA-N 329.791 2.450 30 40 EEEB CC(C)(C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 199706928 FXHJZFAZENHBOW-UHFFFAOYSA-N 339.266 2.063 30 40 EEEB N#Cc1ccc(NC(=O)Cc2csc(N3CCCNC3=O)n2)cc1 69434062 IBONQMQHKKYILI-UHFFFAOYSA-N 341.396 2.116 30 40 EEEB N#Cc1cc2cc3c(cc2nc1SCC(=O)NC1CC1)OCCO3 1331015 IHERSOJYPOOFOM-UHFFFAOYSA-N 341.392 2.248 30 40 EEEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)CC(=O)N2 4944202 WSOCOXKNJJHWPM-LLVKDONJSA-N 329.356 2.108 30 40 EEEB C=CCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766609 XHPUFZTWSXFBSU-UHFFFAOYSA-N 342.420 2.354 30 40 EEEB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ncccc1C#N 58140476 UGZGTLPBIFCCDD-UHFFFAOYSA-N 345.424 2.262 30 40 EEEB C=CCNC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10335408 BODRUPIDLWKSAZ-NSHDSACASA-N 330.837 2.105 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 46493957 QUKDSZASHNFPJF-GJZGRUSLSA-N 330.384 2.116 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1 408724239 ISQAPWPYMXNMQV-LGGAUQEESA-N 331.353 2.187 30 40 EEEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ncccc2C)c1 9376353 TXOZPZNDSKQCOU-UHFFFAOYSA-N 331.397 2.107 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)NCCc1cccc(C(N)=O)c1 65539895 PZLKDYIALWVKPW-UHFFFAOYSA-N 336.395 2.041 30 40 EEEB NC1=C(c2ccccc2)C(=O)CN1CCc1ccc2c(c1)OCCO2 14241042 OODPCCNVOIITFW-UHFFFAOYSA-N 336.391 2.213 30 40 EEEB CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 19902585 NWBQZFLOWPDTGP-ZDUSSCGKSA-N 346.500 2.321 30 40 EEEB N#C[C@@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1ccccn1 95443084 XMTDFWXHNOVMRR-WBVHZDCISA-N 334.379 2.348 30 40 EEEB Cc1nc(C)n([C@H]2CCCN(C(=O)COc3cccc(C#N)c3)C2)n1 72235485 BHICBXAYYAOKPR-INIZCTEOSA-N 339.399 2.009 30 40 EEEB Cc1cc(C)nc([C@@H](C#N)C(=O)c2ccc(N3CCNC3=O)cc2)n1 76317866 WHRPVNLHFZGMTR-HNNXBMFYSA-N 335.367 2.113 30 40 EEEB CC[C@H](CNC(=O)C1(C#N)CCCC1)NC(=O)C1(C#N)CCCC1 78911573 WZXCRQRJNPMSDX-CQSZACIVSA-N 330.432 2.165 30 40 EEEB C[C@H](/N=C(/NCC(=O)N(C)C)N[C@@H]1CCCSC1)c1ccccc1 195563356 FKLSHVQEMRQCCM-GOEBONIOSA-N 348.516 2.267 30 40 EEEB COc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc([N+](=O)[O-])c1O 28489 VLSXKFOAMQBYNT-FRKPEAEDSA-N 328.284 2.229 30 40 EEEB N#Cc1ccc(CSc2ccccc2C(=O)OCC(N)=O)cc1 5309681 NORHQPPOWRCDJI-UHFFFAOYSA-N 326.377 2.493 30 40 EEEB CC(=O)c1cccc(OCCCC(=O)[C@H](C#N)C(=O)NC(C)C)c1 104055478 KDOMRSGFSVIRFD-INIZCTEOSA-N 330.384 2.282 30 40 EEEB N#Cc1ccccc1CN1CCN(CC(=O)Nc2ccccc2)CC1 24249268 QSYRZWPJMJQZPD-UHFFFAOYSA-N 334.423 2.315 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCc2ccoc2)CC1 47088425 MFMDVPFILXFGPS-UHFFFAOYSA-N 341.371 2.048 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/[C@H]2C[C@H]3CC[C@H]2C3)C1=O 408528819 WRTARFUUEFHIJG-UDMLANMRSA-N 339.395 2.453 30 40 EEEB C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC2CCCC2)cc1 58089294 QSWUIPIEKQVZER-UHFFFAOYSA-N 336.457 2.413 30 40 EEEB C[C@@H](c1nc(C2CC2)no1)N1CCCN(c2ncccc2C#N)CC1 64634566 IKSCJTITGSFDEP-ZDUSSCGKSA-N 338.415 2.487 30 40 EEEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 6315660 WNMFFNOKNGCIIR-UHFFFAOYSA-N 347.330 2.195 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)CCSc2ccccn2)CC1 87236778 AFQDHROMBOORTG-OAHLLOKOSA-N 332.473 2.256 30 40 EEEB C[C@@H]1CN([C@@H](CNc2nccnc2C#N)c2cccs2)CCO1 72276401 WTZNWNWUWYIYRC-OCCSQVGLSA-N 329.429 2.284 30 40 EEEB C=CCN(C(=O)Nc1ccc(OC)cc1C)[C@H]1CCS(=O)(=O)C1 95446534 JXBDCHDOSYXFPT-ZDUSSCGKSA-N 338.429 2.211 30 40 EEEB CN(C)C(=O)N1CCC(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 79095300 YMKBARPIDLHDQA-OAHLLOKOSA-N 348.834 2.414 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)C1=O 408603410 QPZIYIQLJZFUMB-GDNBJRDFSA-N 328.368 2.369 30 40 EEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(C#N)C=O 218199901 MBXACVAIKIXSNJ-UPJWGTAASA-N 342.214 2.058 30 40 EEEB CC[C@@H](C)CC(=O)O[C@H]1C(=O)C(CO)=C[C@@H](OC(C)=O)[C@H]1C(C)C 35457759 MPXXSICHRNCHHK-USJGZYJXSA-N 340.416 2.040 30 40 EEEB biogenic,in-vitro C=C(Br)CN(C)CCN(C)C(=O)c1onc(C)c1C 1615611025 ILESQYBSIQKANH-UHFFFAOYSA-N 330.226 2.204 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/Cc2ccco2)C1=O 7343132 PSVSZMDFERCTOS-HVOBPNNYSA-N 325.324 2.058 30 40 EEEB CCNC(=S)N/N=C/c1ccc(N(C)C)c(Br)c1 6387070 YMSVDJBPMLPROU-OVCLIPMQSA-N 329.267 2.333 30 40 EEEB CCOc1ncccc1/C(O)=N/c1nc(CN2CCOCC2)cs1 21128685 RKLRDGUDFFSPCC-UHFFFAOYSA-N 348.428 2.405 30 40 EEEB Cc1ccc([C@@]2(C)NC(=O)N(CCOc3ccccc3C#N)C2=O)o1 58405613 PHNQSNRKDZISKM-GOSISDBHSA-N 339.351 2.306 30 40 EEEB COC(=O)/C(O)=C/C(=O)c1cc(Br)c(OC)cc1OC 100969331 BRFMWXMGONNPPO-YHYXMXQVSA-N 345.145 2.264 30 40 EEEB CNc1snc(C)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 11752699 UYUNRDVXMVEXKP-UHFFFAOYSA-N 348.384 2.370 30 40 EEEB COc1ccccc1N/N=C(\C(=O)Nc1ccccc1)C(N)=S 4477648 AEJQAPDRTZBSRY-ZHZULCJRSA-N 328.397 2.388 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CN(CCO)[C@@H]1CCCc2ccccc21 69772475 QAXPVIXJVNVCKE-QUCCMNQESA-N 343.471 2.413 30 40 EEEB C#CCOc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)CCC)cc1 71186140 DCMGEPILSFOJIM-SFHVURJKSA-N 342.439 2.148 30 40 EEEB N#Cc1ccsc1N1CC[C@@H](N2CCC[C@H](c3ncc[nH]3)C2)C1=O 83206526 MTYPOHVNMHJLIH-UONOGXRCSA-N 341.440 2.328 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 9470254 FWXQHJDHTPKWGC-LPHOPBHVSA-N 328.460 2.252 30 40 EEEB CN(C)C(=O)[C@@H]1CSCN1C(=O)CCSc1ccc(C#N)cc1 69875754 IOSUSYHDCYRANA-AWEZNQCLSA-N 349.481 2.030 30 40 EEEB CS(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 97103075 UDDKMPJQHCBVBM-NSHDSACASA-N 347.362 2.095 30 40 EEEB CN(C(=O)[C@H]1CCCc2ccccc21)C1CN(c2nccnc2C#N)C1 1776008007 SFMFLUULGSCIQV-KRWDZBQOSA-N 347.422 2.115 30 40 EEEB Cc1nnc(S)n1/N=C/c1cc2c(cc1Br)OCO2 8227570 BZRJBPUQEGTVID-YIXHJXPBSA-N 341.190 2.249 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 58452147 XWYKOMMRQZVZQN-HNNXBMFYSA-N 336.399 2.447 30 40 EEEB COC(=O)[C@@H](Cc1ccc(O)c(O)c1)/N=C/c1ccc(N(C)C)cc1 517863 KKSNBVREMNWMEH-DDLUMYACSA-N 342.395 2.367 30 40 EEEB biogenic CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C#N)c2)n1 13522252 QFYIYAUACHUXBW-UHFFFAOYSA-N 328.397 2.325 30 40 EEEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 5629770 PHQGHVRSGUBSAQ-LBPRGKRZSA-N 345.399 2.493 30 40 EEEB N#C[C@H](NC(=O)CCc1ccc(Br)cc1)[C@H]1CCOC1 97212859 BHPCMALVRLRCQY-JSGCOSHPSA-N 337.217 2.427 30 40 EEEB Cc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C#N)cc1[N+](=O)[O-] 128749306 TWYUXIWEZVGJLD-UHFFFAOYSA-N 346.730 2.229 30 40 EEEB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(C#N)cn2)cc1 74729795 LBNNGFYPWXBXEK-MRXNPFEDSA-N 334.379 2.391 30 40 EEEB CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2)s1 225674678 OBKLWCFBZAQEBP-UHFFFAOYSA-N 334.422 2.343 30 40 EEEB N#Cc1cnc2ccccc2c1N1CCN(Cc2ccnc(N)c2)CC1 193323608 GGPGJPJQFVJTQB-UHFFFAOYSA-N 344.422 2.406 30 40 EEEB C=CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)cc1 225411771 HAEKJIUSVVFWLS-UHFFFAOYSA-N 346.408 2.412 30 40 EEEB C[C@H](C#N)CN(C)c1nc2c(N(C)C[C@@H](C)C#N)ncnc2s1 585092808 OMSQJGPWZPKCKI-WDEREUQCSA-N 329.433 2.278 30 40 EEEB C[C@@H](O)[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 582772623 RSGOHDJIMSXSCG-ACJLOTCBSA-N 340.427 2.070 30 40 EEEB CC(C)(C)OC(=O)N1CCC(CCn2nc(C#N)ccc2=O)CC1 1615056125 VHJFMOKJDFTVMH-UHFFFAOYSA-N 332.404 2.152 30 40 EEEB Cc1ccn(CC(=O)c2cnc(N3CCCCC3)s2)c(=O)c1C#N 163819328 SNXBCCNTQPXBKV-UHFFFAOYSA-N 342.424 2.358 30 40 EEEB C=CCNC(=O)CSc1nnnn1-c1ccccc1C(F)(F)F 10382214 STFIWIQDJPMUHQ-UHFFFAOYSA-N 343.334 2.075 30 40 EEEB O[C@H](/N=C(/c1ccccc1)N1CCOCC1)C(Cl)(Cl)Cl 107118759 IVTFHECIZMPKIO-UEMWTREESA-N 337.634 2.454 30 40 EEEB C=CCc1ccccc1OC[C@H](O)Cn1nc(-c2ccco2)oc1=O 45821627 WGMMOFARIZTKGZ-CQSZACIVSA-N 342.351 2.265 30 40 EEEB CCN1CCOC1=C1C(=O)CC(c2ccc(OC)cc2OC)CC1=O 20800890 BTYXKWWEGLBWES-UHFFFAOYSA-N 345.395 2.283 30 40 EEEB Cc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccc1C#N 91757594 XAZAEEQDEKERBS-DYVFJYSZSA-N 343.333 2.488 30 40 EEEB CC1([C@@H]2CCCN(C(=O)NCC#Cc3ccccc3)C2)OCCO1 97086111 HKSWWWYVSIVFGJ-QGZVFWFLSA-N 328.412 2.223 30 40 EEEB Cc1nc(NS(=O)(=O)c2ccc(C#N)cc2)nc2c1CCCC2 97114381 ROHREXKOHSKUSM-UHFFFAOYSA-N 328.397 2.336 30 40 EEEB CCc1ccc(C(=O)C2=C(CC(=O)O)C(=O)N(C)[C@H]2SC)cc1 62716208 FCQYWKQMLBJFED-KRWDZBQOSA-N 333.409 2.364 30 40 EEEB COc1ccc(CCNC(=O)[C@H](C)O/N=C(\N)c2ccccc2)cc1 21700801 IZYYRYSGIHAFCD-AWEZNQCLSA-N 341.411 2.080 30 40 EEEB COC(=O)c1ccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)o1 80904935 LGDLBWGAXMAKQR-KRWDZBQOSA-N 339.395 2.449 30 40 EEEB N#Cc1ccc(CN2CCN(Cc3ccncc3Cl)CC2=O)cc1 96445736 XTSQUPVIVBVCPA-UHFFFAOYSA-N 340.814 2.451 30 40 EEEB COC1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 96459589 BTCALIYZLWKHTE-UHFFFAOYSA-N 348.346 2.377 30 40 EEEB N#C[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242648784 RHTDWAWNXDHRHS-INMHGKMJSA-N 345.351 2.360 30 40 EEEB O=C(NCC#CCOc1ccc2c(c1)OCO2)c1cccc(F)c1 90610498 JGLVINOHIAAMGL-UHFFFAOYSA-N 327.311 2.367 30 40 EEEB N#CCCN(CCC#N)Cn1c(=O)oc2cc(Br)ccc21 29503701 VMIJTBHZQSQTKG-UHFFFAOYSA-N 349.188 2.444 30 40 EEEB Cc1ccc(S(=O)(=O)O[C@H](C(N)=O)c2c[nH]c3ccccc23)cc1 16930087 HNPMMJACKKDAIS-INIZCTEOSA-N 344.392 2.408 30 40 EEEB COc1ccc(CN(C)C(=O)COC(=O)c2ccc(C#N)cc2)cc1 10808072 HNVJJHSGMWHHBQ-UHFFFAOYSA-N 338.363 2.382 30 40 EEEB COC(=O)c1cc(NCC(=O)NC2(C#N)CCCC2)c(F)cc1F 40071593 YPEPTNGPUZRDTB-UHFFFAOYSA-N 337.326 2.116 30 40 EEEB CCOc1ccccc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 9526646 VKBKAAURSUNUQP-UHFFFAOYSA-N 325.368 2.374 30 40 EEEB CC(C)c1cc(/C(O)=N/S(=O)(=O)CCc2ccccc2)nn1C 80287013 CAECREIKWXGVNM-UHFFFAOYSA-N 335.429 2.421 30 40 EEEB C#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 13426464 XBUWZOIKSOCJAU-VBKFSLOCSA-N 348.358 2.169 30 40 EEEB N=C(NOC(=O)c1ccccc1)c1ccc(CN2CCOCC2)cc1 64038094 GWYURXGMEYCYPZ-UHFFFAOYSA-N 339.395 2.206 30 40 EEEB COc1ccc(OC[C@@H](O)COc2ccc(C#N)cc2)c([N+](=O)[O-])c1 8734637 MCSZJFUMOMCLJP-ZDUSSCGKSA-N 344.323 2.294 30 40 EEEB Cc1nc(N=C2NCN(Cc3cccnc3)CN2)nc2c(C)cccc12 19324244 MIYGABNUTZDYCS-UHFFFAOYSA-N 347.426 2.239 30 40 EEEB CCSc1nc(N2CCNCC2)c2c(c1C#N)CC(C)(C)OC2 9048516 ITWNFBJEIBOPEM-UHFFFAOYSA-N 332.473 2.326 30 40 EEEB C[C@H](O)CN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 71871090 NCQOFKKJDPGOFU-INIZCTEOSA-N 349.434 2.364 30 40 EEEB C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 71903743 PUUHPEIJMCWLCI-RDJZCZTQSA-N 342.443 2.197 30 40 EEEB C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 76022413 ZVDLETWCQLGYLN-CQSZACIVSA-N 344.386 2.425 30 40 EEEB C#Cc1cccc(N(C)C(=O)CNC(=O)c2ccccc2OCC)c1 97096016 SVFUSEGFRSOULY-UHFFFAOYSA-N 336.391 2.459 30 40 EEEB CC1(C)[C@@H](C#N)[C@@]1(C#N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 585135618 STFFUXIUFUPBMJ-KDOFPFPSSA-N 338.367 2.267 30 40 EEEB Cc1cc(C#N)cc(N(C2CC2)S(=O)(=O)c2cnn(C(C)C)c2)n1 585129768 VOTKBVNZKJYZEX-UHFFFAOYSA-N 345.428 2.397 30 40 EEEB N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CCCO3)C2)c(F)c1 252477735 UXKIKJSORPORDC-HUUCEWRRSA-N 346.406 2.144 30 40 EEEB N#Cc1ccccc1-c1ccc(CN2CCC[C@](O)(CC(N)=O)C2)cc1 591645636 RLYWJXBKANZKOE-NRFANRHFSA-N 349.434 2.428 30 40 EEEB C=CCNC(=O)N1CC[C@H]2CC(=O)N(Cc3cccnc3)CC[C@H]2C1 15673122 IHWBVMHWUPFRCU-IRXDYDNUSA-N 342.443 2.038 30 40 EEEB biogenic,in-vitro COc1cc(NC(=O)c2cccc(C#N)c2)ccc1NS(C)(=O)=O 32818595 VYPWAONQZHJWQD-UHFFFAOYSA-N 345.380 2.191 30 40 EEEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCNCCO 1585676 VWAYANBLPFTZRX-UHFFFAOYSA-N 338.407 2.067 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 104055696 XHGRMCOCANZHEW-TZMCWYRMSA-N 334.335 2.068 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1 3084936 FEIFNQZDWYBITD-HTYHXWPKSA-N 325.324 2.126 30 40 EEEB Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 5152757 SCYIDUQOZZGSIB-UHFFFAOYSA-N 328.331 2.179 30 40 EEEB COc1ccc(C(=O)O/N=C(\N)Cc2ccc(NC(C)=O)cc2)cc1 226102712 XCDLSZWZWMEZMU-UHFFFAOYSA-N 341.367 2.325 30 40 EEEB Cc1cc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c(C)s1 521394995 MNRPSVFYORQFCU-UHFFFAOYSA-N 343.452 2.279 30 40 EEEB CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)c2ccccc21 96415037 OUWYTZRFABHAQI-UHFFFAOYSA-N 327.409 2.344 30 40 EEEB N#Cc1cccc(CN2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1 1888914118 JZIUXJCCBRPODW-QZTJIDSGSA-N 331.375 2.180 30 40 EEEB C=CCn1c(C)cc(C(=O)CN2CCN(C(=O)OCC)CC2)c1C 40162350 HOJRHPLGLLHJQW-UHFFFAOYSA-N 333.432 2.248 30 40 EEEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc2c(c1)OCO2 34821 FUVPXJLPHWGWDT-INIZCTEOSA-N 341.319 2.493 30 40 EEEB CC1=C(C(=O)C(F)(F)F)CCC(=O)N1CCCN1CCCC1=O 3287841 KPGFNBCZWKHKTD-UHFFFAOYSA-N 332.322 2.027 30 40 EEEB N#Cc1ccc(-c2nnc(CSCCN3CCOCC3)o2)cc1 95446234 WLHRJCZBVZFTAJ-UHFFFAOYSA-N 330.413 2.174 30 40 EEEB Cc1ccc(C(=O)[C@H](C#N)C(=O)CCn2cc([N+](=O)[O-])cn2)c(C)c1 102707537 CEISXOYOLYSVHV-OAHLLOKOSA-N 340.339 2.390 30 40 EEEB CCc1cccc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c1 60481836 NMTHQTQDDHIYGV-UHFFFAOYSA-N 349.438 2.276 30 40 EEEB COC(=O)c1cc(NCC(=O)NC2(C#N)CCCC2)ccc1Cl 29942719 GLBALUVTXDKFNS-UHFFFAOYSA-N 335.791 2.491 30 40 EEEB COc1ccc(C2CC(=O)C(=CNCCc3c[nH]cn3)C(=O)C2)cc1 3766888 CFSDYAPTIFWNOP-UHFFFAOYSA-N 339.395 2.150 30 40 EEEB COc1ccc(OC)c(CNC(=O)Nc2cc(C)n(CCC#N)n2)c1 95454836 ADEGVDWUGALHQX-UHFFFAOYSA-N 343.387 2.444 30 40 EEEB COC[C@](C)(C#N)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 96494842 SBJZLIOKMKWODI-SFHVURJKSA-N 326.400 2.456 30 40 EEEB Cc1cccc(NC[C@@H]2CCN(CC(=O)NC3(C#N)CCCC3)C2)n1 65590134 VNGHGFPNFZUZBI-INIZCTEOSA-N 341.459 2.076 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/Cc1ccccc1 4739254 XQNAIJIZNCCIAI-IYSPOMMRSA-N 337.404 2.322 30 40 EEEB CN(CCCc1n[nH]c(N)c1C#N)c1ccc([N+](=O)[O-])cc1Cl 15113663 LMDJGUKMRCJCDS-UHFFFAOYSA-N 334.767 2.494 30 40 EEEB C#CCOCCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 91963959 QBPKGTFQWVQFPS-UHFFFAOYSA-N 327.134 2.336 30 40 EEEB CCOc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 408586438 CCCVOWYDVDEWTM-NRSGSDFTSA-N 336.391 2.472 30 40 EEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)c1 222246292 SJTWWZJWUQMHCH-IGXZWSFESA-N 340.379 2.235 30 40 EEEB CNC(=O)CN1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 96466537 KJKCXEZUJHAGRR-UHFFFAOYSA-N 340.349 2.199 30 40 EEEB CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OC(C)C 202757984 WTFIMTAGQVCHIJ-UHFFFAOYSA-N 335.209 2.345 30 40 EEEB Cc1nc(C)c(C)c(OCC2CCN(c3nccc(C#N)n3)CC2)n1 1888864293 JKKSTWMFANCHBT-UHFFFAOYSA-N 338.415 2.359 30 40 EEEB C=CCOc1ccc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)cc1 1565548696 HMJZLWGJLADSQJ-MOPGFXCFSA-N 342.439 2.187 30 40 EEEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCCO3)Nc1nonc1N2 12409452 QIJWUMSUQZHLKF-HNNXBMFYSA-N 340.339 2.427 30 40 EEEB CCN1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 106872429 AMTDIDQDPUHVNA-HUUCEWRRSA-N 335.448 2.135 30 40 EEEB N#CCN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C1CC1 58282497 WUSJFFTWGNLURH-RMKNXTFCSA-N 337.423 2.453 30 40 EEEB C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OC 59139301 RRNQHGSUQNBTBO-UHFFFAOYSA-N 330.409 2.022 30 40 EEEB CCN1C(=O)[C@@H](C)S/C1=N\S(=O)(=O)c1ccc(Cl)s1 101483263 FDOYTASPLREELF-NNMUPBNFSA-N 338.863 2.430 30 40 EEEB Cc1cc(C)c(CNC(=O)COc2ccc(C#N)cc2Cl)c(=O)[nH]1 65473237 NWFNLVKWQFMUPW-UHFFFAOYSA-N 345.786 2.212 30 40 EEEB C#Cc1cccc(NC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1 72296074 FHSSNVQNIRJHSD-INIZCTEOSA-N 343.452 2.240 30 40 EEEB C=CCOc1c(Cl)cc([C@@H]2CC(=O)N=C3NC=NN32)cc1OCC 38199423 CYJNMTDKSHARHO-LBPRGKRZSA-N 348.790 2.479 30 40 EEEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)c1cscn1 78411128 XJIZAFOTZWIYEZ-UHFFFAOYSA-N 327.343 2.053 30 40 EEEB C=C1[C@@H]2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@@]23C[C@@H](CC[C@@H]12)[C@](C)(O)C3 40836097 AHMSDGIIEDDLQI-IQDQMAIWSA-N 336.472 2.003 30 40 EEEB biogenic,in-vitro C#CCCN1CCN(CCOc2ccccc2Br)CC1 96494248 GZVYQHUZHMXWRY-UHFFFAOYSA-N 337.261 2.469 30 40 EEEB C=CCN1CC2(CCN(Cc3ccc(OC)cc3)CC2)OCC1=O 96062138 RGRPGIWNRRJZFC-UHFFFAOYSA-N 330.428 2.075 30 40 EEEB CCc1nn(C)c(CC)c1S(=O)(=O)/N=C(\O)Cc1ccc(C)o1 95460288 UBTDXTBKBZTYEJ-UHFFFAOYSA-N 339.417 2.334 30 40 EEEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1 253576528 VYMMVWOLYRRRFA-BNBCZPSXSA-N 325.324 2.126 30 40 EEEB N#C[C@]1(F)CCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)C1 615663576 FCFGHFFEEAYUOQ-MRXNPFEDSA-N 338.329 2.477 30 40 EEEB N#Cc1nccnc1N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965888 NTNROEDGPOEOPV-UHFFFAOYSA-N 336.399 2.311 30 40 EEEB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cccc(C#N)c1 31584575 OLKJIAUWJDWXJL-MDZDMXLPSA-N 344.374 2.467 30 40 EEEB O=C1C=Cc2ccccc2/C1=N\Nc1cc(C(=O)O)cc(C(=O)O)c1 102956207 YGUKOOHTQYSNIL-CAPFRKAQSA-N 336.303 2.495 30 40 EEEB COc1ccccc1C(=O)COC(=O)COc1ccc(C#N)cc1 3244944 HQDVFGWMZIYXJF-UHFFFAOYSA-N 325.320 2.372 30 40 EEEB CCc1nnc2n1N(C(C)=O)C(c1ccccc1)=C(C(C)=O)S2 4518253 CFPRGAAKBZNNPA-UHFFFAOYSA-N 328.397 2.389 30 40 EEEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)CC[C@@H]1CCCO1 58153585 XXDXESWPQGNQGX-NSHDSACASA-N 332.809 2.481 30 40 EEEB N#CC(C#N)/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1 56672793 RLXWNTHNSXQSLK-HNENSFHCSA-N 326.341 2.382 30 40 EEEB Cc1nc(OCC(=O)N2CCCC2)c(C#N)c2c1COC(C)(C)C2 13693376 KXHMCRXEONPDHQ-UHFFFAOYSA-N 329.400 2.114 30 40 EEEB N#CCn1c(COC(=O)c2cccs2)nc2ccccc2c1=O 5937287 CPPUVJCUMRHRID-UHFFFAOYSA-N 325.349 2.339 30 40 EEEB O=[N+]([O-])c1cnn(CC/C(O)=N/c2nc(-c3ccccc3F)n[nH]2)c1 71890763 WJKPOPBBZYHJOK-UHFFFAOYSA-N 345.294 2.394 30 40 EEEB COc1ccc(CN2C[C@@H](C(=O)N[C@H](C#N)CC(C)C)CC2=O)cc1 69580682 WIRXGSOCHYVAJC-HOTGVXAUSA-N 343.427 2.098 30 40 EEEB Cc1ccc(F)c(N2CCC[C@H](NS(=O)(=O)CCCC#N)C2)c1 71910249 UYTWKCXNWKMQFL-AWEZNQCLSA-N 339.436 2.326 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2noc(-c3cccs3)n2)c1 97098439 ZFOMBKPSUACRMY-UHFFFAOYSA-N 332.366 2.471 30 40 EEEB Cc1cc([C@@](C)(O)CNS(=O)(=O)Cc2cccc(C#N)c2)c(C)o1 95433220 SJPHHMJUDZHJFZ-KRWDZBQOSA-N 348.424 2.095 30 40 EEEB C#CCCN1CCN([C@H](C)C(=O)Nc2cccc3ncccc23)CC1 95446702 BFUVOOZCEZVTRT-MRXNPFEDSA-N 336.439 2.203 30 40 EEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 408709572 UGVDDZWOUMDBET-ZFWWWQNUSA-N 343.427 2.236 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(C(=O)C4CC=CC4)C3)C2)n1 96219300 PQKOFARZBLRVNY-VQIMIIECSA-N 338.411 2.091 30 40 EEEB CC(C)(C)c1ccc(NC(=O)NCC#CCN2CCOCC2)cc1 75164907 APKIBVJYGBMBRM-UHFFFAOYSA-N 329.444 2.441 30 40 EEEB CCOC(=O)C1=C(NC(C)=O)S[C@H]2C(Cl)=C(/C=N/O)CC[C@H]12 17903252 IZWZFDZCMRHNNA-ULFWNZFESA-N 344.820 2.376 30 40 EEEB C=CCN1C(=O)[C@@](O)(CC(=O)c2c(C)n[nH]c2C)c2ccccc21 565344 XSRVNHCPDFJRHP-GOSISDBHSA-N 325.368 2.020 30 40 EEEB CN(CCC#N)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 31637390 KJPIWKHLIMMPQQ-UHFFFAOYSA-N 339.182 2.075 30 40 EEEB N#Cc1ccnc(SCCC(=O)NC(=O)NCc2ccccc2)c1 69329355 KXFJANDTODVJJO-UHFFFAOYSA-N 340.408 2.461 30 40 EEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 101305844 TZHILZQQHPRLHL-QVDVFPETSA-N 338.454 2.006 30 40 EEEB C[C@@H]1CCc2c(sc(NC(=O)CN3CSCC3=O)c2C#N)C1 7718909 LDKWDMNHEMSYGY-SECBINFHSA-N 335.454 2.216 30 40 EEEB C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(C)=O)nnc12 3445684 BFGKKPAVVGQRQX-NSHDSACASA-N 328.397 2.300 30 40 EEEB CC/N=C(\NCC)S[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 13139894 NWXQZURBJNMWLE-AWEZNQCLSA-N 349.456 2.436 30 40 EEEB O=C1NC(=O)C(=NNc2ccc(/N=N/c3ccccc3)cc2)C(=O)N1 4179728 XNJLLILOJJMVJU-FMQUCBEESA-N 336.311 2.236 30 40 EEEB CN(CCOc1ccccc1F)S(=O)(=O)c1cccc(C#N)c1 15360828 VMOPISWJOPHNRR-UHFFFAOYSA-N 334.372 2.397 30 40 EEEB N#C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccccc1F 89851237 JJBMRAWCOZDRML-INIZCTEOSA-N 335.342 2.465 30 40 EEEB C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCC(=O)O 409086338 QIJFPVBGIRNITM-QPEQYQDCSA-N 331.324 2.203 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 408728542 OJDDUZKUJQVSRB-VAOWDYPFSA-N 340.379 2.235 30 40 EEEB N#Cc1cccc(CNC[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 78553720 SBNIANUUZYXZTB-HXUWFJFHSA-N 349.434 2.290 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(N)C#N)cc1 218500927 XJJIRDXQLFLKQA-IKGGRYGDSA-N 330.384 2.295 30 40 EEEB COc1cccc(C(=O)NCCNc2ccc(Cl)c(C#N)n2)c1 96453359 SXMBMIIHZZLQJB-UHFFFAOYSA-N 330.775 2.457 30 40 EEEB CCc1nnc(NCC(C)(C)CCS(C)(=O)=O)c(C#N)c1CC 95412071 LMJLRAFLSQIMHH-UHFFFAOYSA-N 338.477 2.346 30 40 EEEB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 245316818 KQEZDHFIEFWULQ-WEVKCVHISA-N 338.407 2.366 30 40 EEEB CC(C)CC(=O)N1C[C@@H]2OC[C@H](CCOc3ccc(C#N)cn3)[C@@H]2C1 575406445 PLLHVQCEBRKXER-ULQDDVLXSA-N 343.427 2.242 30 40 EEEB Cn1cc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3C#N)C2)cn1 76063853 PJMLIVCNFMEREM-ZDUSSCGKSA-N 326.360 2.281 30 40 EEEB Cc1cccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1 5152766 VSTCJSDHMGSFMA-UHFFFAOYSA-N 328.331 2.179 30 40 EEEB CCOC(=O)C/C(N)=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 16682230 HXHKXKNFYSOLET-UHFFFAOYSA-N 334.254 2.251 30 40 EEEB O=C1CN(C(=O)CO/N=C/c2ccc(F)cc2)c2ccccc2N1 8345701 JVZGHCNREMGSHT-DJKKODMXSA-N 327.315 2.162 30 40 EEEB C#CCN1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 79050270 LQAYRURBPCJBMK-UHFFFAOYSA-N 342.830 2.132 30 40 EEEB O=C(C#Cc1ccccc1)NC1CCN(CC2(O)CCCCC2)CC1 89344486 OPTSSSNXFKUJLJ-UHFFFAOYSA-N 340.467 2.314 30 40 EEEB COc1ccc(C#N)cc1COc1ccc(O[C@@H](C)C(N)=O)cc1 89369114 LDYJDPHZOIJEPG-LBPRGKRZSA-N 326.352 2.398 30 40 EEEB Cc1ccc([C@]2(C)NC(=O)N(CCOc3ccccc3C#N)C2=O)o1 58405614 PHNQSNRKDZISKM-SFHVURJKSA-N 339.351 2.306 30 40 EEEB O=C(O)CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 5819255 ZPARPFNLINHCFO-IBOXJLQUSA-N 337.331 2.193 30 40 EEEB CCNC(=O)c1ccc(C/N=C(/N)Nc2ccccc2OC)cc1 72272446 BLZRFDFYSYXZLY-UHFFFAOYSA-N 326.400 2.372 30 40 EEEB COC1(OC)[C@H](/C=C\c2ccccc2)C(C#N)(C#N)C1(OC)OC 17241831 NXUPXBDUVJSWJJ-JQPIKURYSA-N 328.368 2.341 30 40 EEEB COc1cccc(S(=O)(=O)/N=C(O)/C=C/c2c(C)nn(C)c2C)c1 78556576 OMBIPRLDPZLDBT-CMDGGOBGSA-N 349.412 2.404 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 222323733 CYIRFOHUIPKUIU-YENYUUAQSA-N 335.407 2.140 30 40 EEEB C=CCN1CC[C@]2(CN(C(=O)Cc3ccc(OC)cc3)C[C@H]2C)C1=O 96201685 PHWZAWBWNAMEEZ-FOIQADDNSA-N 342.439 2.121 30 40 EEEB N#Cc1cccc(N2CCN(CCCOCC(F)(F)F)CC2)n1 97229740 SQSJXEAGKFRXMQ-UHFFFAOYSA-N 328.338 2.044 30 40 EEEB C=CCNC(=O)N(C)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888880057 NMAAHHKEAKGEKB-UHFFFAOYSA-N 341.390 2.299 30 40 EEEB CC1(C)CCC[C@](C)(C#CCN2CCN(c3ncccn3)CC2)O1 12402425 RKPPJZDPWBMYNC-LJQANCHMSA-N 328.460 2.340 30 40 EEEB CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(C#N)cc2)c1 6680309 UOGFBBTVSWXLEK-UHFFFAOYSA-N 335.410 2.122 30 40 EEEB COCCn1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c2ccccc21 58267283 CEFPSYMARBLGMH-UHFFFAOYSA-N 334.339 2.006 30 40 EEEB CC(C)(C#N)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 58405671 MYRSZYQDFOPANO-UHFFFAOYSA-N 347.396 2.246 30 40 EEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 101312522 SDBGKGISJZKUGD-PUSDIMDNSA-N 338.454 2.006 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 46493963 QUKDSZASHNFPJF-HUUCEWRRSA-N 330.384 2.116 30 40 EEEB C#CCN(Cc1ccco1)C(=O)c1sc(-c2nc[nH]n2)nc1C 69813475 QANOFADMIKARCZ-UHFFFAOYSA-N 327.369 2.105 30 40 EEEB CC(=O)C(C(=O)NCc1ccc(F)cc1)=C1SC(C(=O)O)S1 62716071 KHHJWABGTPTRAD-UHFFFAOYSA-N 341.385 2.133 30 40 EEEB Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C#N)cc3)OCC(=O)N2C)cc1 96181469 JASIWEHEBMYLGQ-RTBURBONSA-N 349.390 2.404 30 40 EEEB CCN(CC)CC#C[C@H](C)OC(=O)c1sc(-c2nc[nH]n2)nc1C 96482975 WFSIMMIRKULXRL-NSHDSACASA-N 347.444 2.127 30 40 EEEB CC(F)(F)c1ccc(C/N=C(/O)N2C[C@H]3COC[C@@H](C2)O3)cc1 330341793 ZSPORVSNTMNHKC-OKILXGFUSA-N 326.343 2.312 30 40 EEEB Cc1cc(N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)c(C#N)c(C)n1 95430793 RLLPXNULILUXDM-UHFFFAOYSA-N 345.406 2.291 30 40 EEEB N#Cc1cccc(N2C[C@]3(CCN(C(=O)C4CC=CC4)C3)CC2=O)c1 96077475 SVHDNMVXCRGOHI-HXUWFJFHSA-N 335.407 2.480 30 40 EEEB C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 249269359 JWBZWGZLLDIQQK-WMLDXEAASA-N 333.457 2.119 30 40 EEEB CN(C[C@@H](O)COCc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-] 79002631 XHZIYUYNIJKHKP-MRXNPFEDSA-N 341.367 2.480 30 40 EEEB N#Cc1nccnc1N1CCC(CNC(=O)CCc2ccccc2)CC1 206601531 QYTMGOJDQOMWKF-UHFFFAOYSA-N 349.438 2.314 30 40 EEEB CC/N=C1\S[C@H](CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N1CC 100294963 JTCHGTAUIANYOR-WGKGOADCSA-N 349.412 2.053 30 40 EEEB Cn1cnc2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)ccc21 101989248 DOLMSWAZPREHNW-OAHLLOKOSA-N 332.363 2.212 30 40 EEEB N#Cc1ccc(NC[C@H]([C@@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 44976817 LLKAZSAYQYAINC-RHSMWYFYSA-N 330.388 2.379 30 40 EEEB N#CCCNC(=O)CN1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 58330039 NYULTMUUKNJJHS-OALUTQOASA-N 340.471 2.145 30 40 EEEB CN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C1(C#N)CCC1 58377270 KFWSTVOIGAEYJF-UHFFFAOYSA-N 349.456 2.282 30 40 EEEB COc1ccc(CN2CNC(=Nc3nc4ccccc4o3)NC2)cc1 16972889 PLYWKABCWLWGIM-UHFFFAOYSA-N 337.383 2.434 30 40 EEEB CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)cc1 7146441 IUMYCJARWADJSL-UHFFFAOYSA-N 329.425 2.445 30 40 EEEB COc1ccc(N/C(N)=N/CC(C)(C)N2CCOCC2)cc1Cl 75583731 NFNSNTFMRZPZER-UHFFFAOYSA-N 340.855 2.186 30 40 EEEB C=CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 84670932 UDJNVYHVFDOHDD-KFWWJZLASA-N 325.474 2.427 30 40 EEEB N/C(=N/OCc1ccccc1F)c1cccc(CN2CCOCC2)c1 60197393 XKSDCOWNGNYQSC-UHFFFAOYSA-N 343.402 2.495 30 40 EEEB N#CCn1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c2ccccc21 409143605 MTNVIMQIUZDZOL-NTUHNPAUSA-N 341.348 2.286 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1/C=N\[C@@H]1C[C@H]2CC[C@H]1C2 408528304 VRTYOBJYXKFUQX-ILWHXEJASA-N 343.427 2.129 30 40 EEEB C[C@@H]1CN([C@H](C/N=C(/N)N(C)C)c2c(F)cccc2Cl)CCO1 225546606 WWVIKNYFFNTSTI-BXUZGUMPSA-N 342.846 2.117 30 40 EEEB N#CC1CCN(S(=O)(=O)c2cc(Cl)cc3c2OCC3)CC1 96009894 BKWMOKZFHIWKQZ-UHFFFAOYSA-N 326.805 2.199 30 40 EEEB C#CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 250642172 HXUQIKAKBLYFBU-VRIUOOHGSA-N 346.386 2.086 30 40 EEEB C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)CNc1ccc(C#N)cc1 585141101 PMFSMGHWQPJIFI-SCLBCKFNSA-N 326.400 2.183 30 40 EEEB N/C(=N/N=C\c1cc2c(cc1Br)OCO2)c1ccccn1 5905995 XAJFNDHPIZIOCR-WSVATBPTSA-N 347.172 2.312 30 40 EEEB N#Cc1ccc(CS(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)cc1 50204817 UNCQQIPQWKEVJZ-UHFFFAOYSA-N 342.376 2.423 30 40 EEEB N#Cc1ccccc1CS(=O)(=O)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106773368 CLTWGQPQBKGOFB-XEZPLFJOSA-N 332.425 2.331 30 40 EEEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OC)cc23)CC1 20718335 DXFWEXAITRLTLI-SFHVURJKSA-N 343.427 2.496 30 40 EEEB Cc1csc(N2CCN(CC(=O)Nc3sccc3C#N)CC2)n1 48008332 ORUJDSICEJOEPX-UHFFFAOYSA-N 347.469 2.145 30 40 EEEB CNC(=O)c1ccc(/C=C/C(O)=N/S(=O)(=O)c2ccccc2)cc1 48406942 UXDZLZUHDAUTFO-FMIVXFBMSA-N 344.392 2.405 30 40 EEEB CC(C)CNC(=O)C(=O)Nc1sc2c(c1C#N)CC(C)(C)OC2 6719620 YOYBSRLVSYLKIX-UHFFFAOYSA-N 335.429 2.182 30 40 EEEB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)Nc1sccc1C#N 69621388 HVHFEDQVZHCUHN-LSDHHAIUSA-N 346.456 2.034 30 40 EEEB CCCCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n[nH]c1=O 8707190 HUROIFVWKALFDJ-LLVKDONJSA-N 345.428 2.362 30 40 EEEB C#CCCN1CCN([C@@H](C)C(=O)Nc2cccc3ncccc23)CC1 95446701 BFUVOOZCEZVTRT-INIZCTEOSA-N 336.439 2.203 30 40 EEEB CS[C@@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)O)C(=O)N1C 62716217 CFFVPOBHADGGSB-OAHLLOKOSA-N 339.800 2.455 30 40 EEEB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1sccc1C#N 95983650 WRUZURHSNCOMGQ-ZDUSSCGKSA-N 330.413 2.184 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218336063 ASDRLYUVPXOQNJ-VNHYZAJKSA-N 341.816 2.314 30 40 EEEB C[C@@H](Cc1ccco1)NC(=O)C(=O)Nc1cc(Cl)ccc1C#N 42381903 SHGUISGUMBVWDY-JTQLQIEISA-N 331.759 2.491 30 40 EEEB C/N=C(\NCc1nc(C)c(C)s1)NC[C@@H]1COc2ccccc2O1 95407697 GSLYMDFORWSORU-CYBMUJFWSA-N 346.456 2.265 30 40 EEEB Nc1ncnc(N/N=C/c2ccc(Br)cc2)c1[N+](=O)[O-] 5446782 IMWRNNTYACCMJV-FZSIALSZSA-N 337.137 2.176 30 40 EEEB C/C(=N\Nc1nc(=O)c(Cc2ccccc2)n[nH]1)c1ccccc1O 100851977 KZUHPKVLEVTLGT-UDWIEESQSA-N 335.367 2.297 30 40 EEEB COc1cc(C(=O)O/N=C2\C=CC(=O)C(C)=C2)cc(OC)c1OC 101931 ZXKWLZOEJKQYPH-LDADJPATSA-N 331.324 2.310 30 40 EEEB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)CCC#N)cc1 3252658 DUBXKTTUYXIUKP-INIZCTEOSA-N 342.399 2.227 30 40 EEEB COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(F)cc1 4510943 MLZGKGOPQINOFK-DJKKODMXSA-N 347.371 2.221 30 40 EEEB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1 5507226 VJEDOAFXOCILIG-UHFFFAOYSA-N 338.319 2.140 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408527092 KPOWHHFMHSNGMV-YXBWHSABSA-N 339.395 2.453 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2C[C@@H](CC(=O)O)c3ccccc32)cc1 71914647 HXZWZXJQDQKEMG-CYBMUJFWSA-N 342.376 2.325 30 40 EEEB COCCN(CCNc1nc(C(F)(F)F)ccc1C#N)C1CC1 72286175 FOHZLHXIYMJNTF-UHFFFAOYSA-N 328.338 2.495 30 40 EEEB CC/N=C(/NC[C@@H]1CCCO1)NC[C@@H]1CCO[C@@H]1c1ccccc1 95406375 RUAFYMVOKZLWSJ-OKZBNKHCSA-N 331.460 2.498 30 40 EEEB COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)c(OC)c1 409347523 QAJHBUIDLPRRSA-UHFFFAOYSA-N 325.324 2.002 30 40 EEEB Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(C#N)CC2)c1 96500062 XEKKVVKNDHKNFU-UHFFFAOYSA-N 343.792 2.481 30 40 EEEB C#C[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCOCC1)C(C)(C)C 583650820 CBTPEMIHWOMQIQ-MRXNPFEDSA-N 343.427 2.328 30 40 EEEB CCN1C(=O)[C@H](C)S/C1=N\S(=O)(=O)c1ccc(Cl)s1 101483261 FDOYTASPLREELF-VPDTZXFGSA-N 338.863 2.430 30 40 EEEB C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccccc1C#N 8010184 LFBQQXWMXSLZIJ-CYBMUJFWSA-N 349.346 2.379 30 40 EEEB CN(C[C@H]1COc2ccccc2O1)C(=O)COc1ccccc1C#N 23183662 LFIDBXPRERRSIV-HNNXBMFYSA-N 338.363 2.235 30 40 EEEB COC(=O)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 58332229 HAGOWLRHFKIJFG-IBGZPJMESA-N 345.443 2.106 30 40 EEEB CCCOc1ccccc1NC(=O)Cn1nc(C)c(C)c(C#N)c1=O 12999827 YLBGHKVUMMUVQY-UHFFFAOYSA-N 340.383 2.159 30 40 EEEB C#CCNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13005070 WEKPELMEVJMQPD-UHFFFAOYSA-N 346.740 2.219 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc3c(c2)CCC3)C1=O 9244882 BPZRRSOOUACRNO-RVDMUPIBSA-N 325.368 2.126 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)CNc1cc(=O)[nH]c(=S)[nH]1 6017139 DWLMVRYNRDUROG-UHFFFAOYSA-N 335.776 2.008 30 40 EEEB N/C(=N/Cc1ccc(N2CCC(CO)CC2)cc1)N1CCCCC1 69812232 NJRCRZRVHPNKRA-UHFFFAOYSA-N 330.476 2.196 30 40 EEEB Cc1ccc(S(=O)(=O)OC[C@@H](O)COCc2ccccc2)cc1 4537760 HBMUWOSOGHUWSS-INIZCTEOSA-N 336.409 2.278 30 40 EEEB N#Cc1ccc(OC[C@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 14246724 CMPYREQQXNSLTQ-OAHLLOKOSA-N 342.395 2.007 30 40 EEEB C[C@@](C#N)(NC(=O)COC(=O)Cc1c(F)cccc1Cl)C1CC1 5508445 DOAKWMSHZHQVKA-INIZCTEOSA-N 338.766 2.373 30 40 EEEB COc1ccccc1CN/C(O)=N/S(=O)(=O)c1ccc(C)cc1 5929565 FEUMWJJWHIVUHF-UHFFFAOYSA-N 334.397 2.396 30 40 EEEB CN(Cc1nnc2ccccn12)C(=O)Nc1ccc(OCC#N)cc1 71911729 GQDZOZJVHKWKJQ-UHFFFAOYSA-N 336.355 2.296 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCc2c(F)cccc21 95403106 CDLLQZNOKVLIBR-MRXNPFEDSA-N 331.372 2.444 30 40 EEEB CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225029860 IYPPWQHUZNVCIP-UHFFFAOYSA-N 331.353 2.486 30 40 EEEB C[C@@H](C1CC1)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 91534366 KBGXCZZEGKPGQH-LPHOPBHVSA-N 340.471 2.126 30 40 EEEB C=CCN/C(=N/CCc1ccc(OC)cc1)NCc1cc(C)on1 73996918 KNXWXQGGLXWPCT-UHFFFAOYSA-N 328.416 2.456 30 40 EEEB Cc1c(-c2ccc(/C=N/NC(=N)N[N+](=O)[O-])o2)ccc([N+](=O)[O-])c1C 16249310 PWOKQVUVPNTUMQ-FRKPEAEDSA-N 346.303 2.111 30 40 EEEB CC[C@H](C)CC(=O)O[C@@H]1C(=O)C(CO)=C[C@H](OC(C)=O)[C@H]1C(C)C 253388332 MPXXSICHRNCHHK-DQMHSYKWSA-N 340.416 2.040 30 40 EEEB biogenic,in-vitro COc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)cc1 50205048 FICXLDXXKTWWMN-UHFFFAOYSA-N 333.365 2.419 30 40 EEEB C=CC[C@H]1N(c2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100315983 WSHQZPHRZYRCMK-FDQIELQPSA-N 341.363 2.011 30 40 EEEB C[C@@H](NC(=O)c1ccco1)C(=O)OCc1cn2ccccc2c1C#N 32682327 FBGTYWYSZGUXKW-GFCCVEGCSA-N 337.335 2.266 30 40 EEEB COc1cccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)c1O 500287 VBHGAYYCTPILRJ-AWQFTUOYSA-N 334.335 2.474 30 40 EEEB CCN1C/C(=C/c2csnn2)C(=O)/C(=C/c2csnn2)[C@@H]1C 69979735 IRYBUEYXCKFYMF-VAAIVQFJSA-N 333.442 2.150 30 40 EEEB N#CC1(NC(=O)CNc2ccccc2N2CCC(O)CC2)CCCC1 55888040 IDSBJUBNHQKYGC-UHFFFAOYSA-N 342.443 2.012 30 40 EEEB N#Cc1c(N)n(CCNC(=O)c2ccco2)c2nc3ccccc3nc12 3267611 FDAOSOJFIVFHPQ-UHFFFAOYSA-N 346.350 2.061 30 40 EEEB N#CCc1ccc(OCC(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 65554053 YPVUSSUZAUXJLC-QGZVFWFLSA-N 327.428 2.218 30 40 EEEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 66397326 SBBVRWHSKRZTBH-CZUORRHYSA-N 348.468 2.490 30 40 EEEB CSc1ccc(/C=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 19618655 QPQLBWNXLXSAMB-VCHYOVAHSA-N 348.453 2.121 30 40 EEEB C=CCN/C(=N/[C@H](C)[C@H]1CCCO1)NC[C@H](O)c1ccc(OC)cc1 75583373 BHVMGCNTLWECGK-FHLIZLRMSA-N 347.459 2.017 30 40 EEEB C=CCN(CC(=O)OCC)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 95381768 VWAKBOYUVQOMDU-UHFFFAOYSA-N 347.371 2.360 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 222351503 TTZLOJRHGLDNSU-PCHTZYFBSA-N 336.391 2.472 30 40 EEEB N#Cc1nc(N2CCN(C(=O)c3cccc(O)c3)CC2)ccc1Cl 96429373 GRHNWGCKSVNHFU-UHFFFAOYSA-N 342.786 2.275 30 40 EEEB CN(Cc1cccc(C#N)c1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 583622217 ZZVIWUIYQBCXSJ-OALUTQOASA-N 339.418 2.393 30 40 EEEB Cc1nnc([C@H](C)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)s1 252523159 BZKOSIFAHWMOGN-GSDQYQHOSA-N 339.424 2.253 30 40 EEEB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)C3(C#N)CCCC3)C[C@H]12 1565555790 PCEYBZOMHHBJFJ-MDZRGWNJSA-N 342.443 2.306 30 40 EEEB C=CCc1c(OCC(=O)O)ccc2nc3n(c(=O)c12)CCCCC3 20761668 XWPMGIDGJMJNTI-UHFFFAOYSA-N 328.368 2.315 30 40 EEEB biogenic COC1(OC)[C@@H](/C=C/c2ccccc2)C(C#N)(C#N)C1(OC)OC 340859 NXUPXBDUVJSWJJ-NKSUMMKUSA-N 328.368 2.341 30 40 EEEB COCCCNC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CC[C@@H](C)C2 103259685 KKTYTTFHUAZNIS-DGCLKSJQSA-N 334.441 2.348 30 40 EEEB COc1ccc(/C=N\NC(=N)N/N=C/c2ccc(OC)cc2)cc1 104392305 DCTPWFFEWAUYCX-UHWBUFEVSA-N 325.372 2.186 30 40 EEEB N#Cc1ccc(NCCCN2C(=O)NC3(CCCC3)C2=O)c(F)c1 58281378 WASYOYBLORLAEH-UHFFFAOYSA-N 330.363 2.364 30 40 EEEB COc1cccc(S(=O)(=O)CCN(C)Cc2cccc(C#N)c2)c1 58342461 DLUIAHHFUMMVPA-UHFFFAOYSA-N 344.436 2.473 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC 4017134 JEQRRKBRAOJAEK-OAHLLOKOSA-N 332.356 2.061 30 40 EEEB N#CC1(NC(=O)CSc2nncn2Cc2ccco2)CCCCC1 14196679 ABGCIPVALFJWIZ-UHFFFAOYSA-N 345.428 2.354 30 40 EEEB COc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)ccc1O 5720214 TUTNMIPURSZZKZ-CXUHLZMHSA-N 340.788 2.367 30 40 EEEB N#Cc1cccc(S(=O)(=O)N2C[C@H](CC(=O)O)c3ccccc32)c1 71914640 LEZIWPDIOGRZCX-ZDUSSCGKSA-N 342.376 2.325 30 40 EEEB N#CCC[C@@H](C#N)CN1CCN(c2ccc(Br)cn2)CC1 30536521 NCXBWBQSTYIQJE-ZDUSSCGKSA-N 348.248 2.410 30 40 EEEB COCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 96427995 NMZRHJHMNYZWSX-UHFFFAOYSA-N 328.821 2.259 30 40 EEEB CC(C)C/N=C(/S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13556369 PUUMVWAJYLBLNO-UHFFFAOYSA-N 335.473 2.475 30 40 EEEB Cc1nc(C2CC2)nc(N2CCN(c3ncccc3C#N)CC2)c1F 1888853917 VZGLOZROCHHFHA-UHFFFAOYSA-N 338.390 2.395 30 40 EEEB CCn1cc(C#N)c(=O)n(CCCOc2ccc(Cl)cc2)c1=O 9376061 LGMLSULZVAQQNO-UHFFFAOYSA-N 333.775 2.024 30 40 EEEB N#Cc1ccc(OCC[C@H]2CO[C@H]3CN(CC4CCC4)C[C@@H]23)nc1 306131716 KNQGWWULNOGKJS-BZSNNMDCSA-N 327.428 2.469 30 40 EEEB CNC(=S)N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1 15009392 JXTXYYGIZOJJNG-NGYBGAFCSA-N 339.783 2.489 30 40 EEEB N#Cc1ccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 97237841 ZDHKNKGZJGCSNN-LJQANCHMSA-N 335.407 2.055 30 40 EEEB C=CCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 69283403 BIZFMRFMCAGOLC-NSHDSACASA-N 341.385 2.084 30 40 EEEB N#Cc1cccnc1N1CCN(C(=O)c2cccc3c2CCC3)CC1 329170559 KDCBWRRHBYPDCM-UHFFFAOYSA-N 332.407 2.404 30 40 EEEB N#CCN(CC#N)C(=O)CCN1CCC[C@@H]1Cc1cccc(F)c1 69534971 MKOAMWOBKVAXQK-QGZVFWFLSA-N 328.391 2.098 30 40 EEEB N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(F)c(C#N)c1 69619477 QQSAPIZFJLJMJA-UHFFFAOYSA-N 333.344 2.395 30 40 EEEB CC1=CC(=O)C=C/C1=N/OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3124263 YYCWAHZMRCIHIG-QINSGFPZSA-N 331.240 2.101 30 40 EEEB CN(CC(=O)NC(=O)Nc1ccccc1F)Cc1cccc(C#N)c1 26325880 QNZDLQZGVIGWRG-UHFFFAOYSA-N 340.358 2.477 30 40 EEEB Cc1nnc(-n2ncc(C#N)c2N)c2nn(-c3ccccc3F)c(C)c12 1016766 AEKMGMYPBRQYHB-UHFFFAOYSA-N 348.345 2.211 30 40 EEEB CCOC(=O)/C(=N/Nc1ccc(C(C)=O)cc1)c1cnc(N)s1 5003917 NBJRHQYYPWMWKO-CPNJWEJPSA-N 332.385 2.307 30 40 EEEB CC(C)Cn1nnnc1S[C@H]1CCN(c2ccc(C#N)cc2)C1=O 73867369 GVJKPQKAOCITOZ-AWEZNQCLSA-N 342.428 2.098 30 40 EEEB CSc1nc2n(n1)[C@H](c1ccnn1C)C1=C(CC(C)(C)CC1=O)N2 17071887 HTJYUJPMKLFTPQ-CYBMUJFWSA-N 344.444 2.392 30 40 EEEB N#C[C@@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C1CCCCC1 97095635 BHGOLRNHKDMELW-OAHLLOKOSA-N 335.354 2.283 30 40 EEEB CCC[C@](C)(C#N)NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 95944070 DYTHNLJDYUQGGG-MRXNPFEDSA-N 335.429 2.277 30 40 EEEB C/C(=N\O)[C@@H]1C[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1(C)C 585120917 WTLFWNOHNRTWKW-MHZLRROZSA-N 349.475 2.264 30 40 EEEB CC[C@H](CC#N)NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)OC(C)(C)C 585135524 OOHJZWOEJNNACR-OLZOCXBDSA-N 341.452 2.191 30 40 EEEB CC(C)(C)OC(=O)N1CCN(C(=O)CNc2cccc(C#N)c2)CC1 58157279 YHCRTRFNKXYQDF-UHFFFAOYSA-N 344.415 2.049 30 40 EEEB N#Cc1cc(N2CCOC[C@@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] 167155090 VNWOKVTXYZVCOU-GOEBONIOSA-N 343.339 2.388 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1 4181502 QHABDZVHFXVBPH-RACUKVQNSA-N 335.407 2.284 30 40 EEEB CC(=O)c1cccc(NC(=O)C[C@@H]2S/C(=N/CC(C)C)NC2=O)c1 6563733 YCXMVODGDPHAMT-AWEZNQCLSA-N 347.440 2.461 30 40 EEEB N#C[C@@H](C(=O)Nc1ncccn1)C(=O)c1csc2c1CCCC2 101878775 NAHKSOFBKGQKNI-LLVKDONJSA-N 326.381 2.378 30 40 EEEB C=CCOC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 8401895 WUJGPIJJPFNZIM-UHFFFAOYSA-N 329.381 2.352 30 40 EEEB COc1ccc(CN[C@H]2CCc3ncnn3C2)cc1OCCCC#N 69485929 FFOXWKYDLUIJJJ-HNNXBMFYSA-N 341.415 2.074 30 40 EEEB C=CCc1ccccc1OC[C@H](O)CN1C(=O)NC2(CCCC2)C1=O 24094694 CQWODEDJCXJHGM-OAHLLOKOSA-N 344.411 2.019 30 40 EEEB CCN1CCC(N(C(=O)COc2ccc(C#N)cc2)C2CC2)CC1 57370758 YYBOEOCZYWZHCE-UHFFFAOYSA-N 327.428 2.412 30 40 EEEB C=CCOc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 12698450 RRTMTEPHIBBOFC-ZDUSSCGKSA-N 342.447 2.278 30 40 EEEB C#CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1 58291195 GDGDHLCXTMPGFP-UHFFFAOYSA-N 349.369 2.006 30 40 EEEB COc1cccc2[nH]c3c(=O)n(/N=C/c4ccc(C)cc4)c(=O)[nH]c3c12 17197575 JKJUDAIUHANKRM-KEBDBYFISA-N 348.362 2.370 30 40 EEEB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C#N)cn1C 91210826 UIJZASZHISMDKR-ZDUSSCGKSA-N 325.368 2.101 30 40 EEEB CN(CC1=NS(=O)(=O)c2ccccc2N1)Cc1ccc(C#N)cc1 65623935 JBDDRTIECZNTIC-UHFFFAOYSA-N 340.408 2.203 30 40 EEEB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)CCC#N)cc1 4863818 DUBXKTTUYXIUKP-MRXNPFEDSA-N 342.399 2.227 30 40 EEEB Cc1ccc(C(=O)NCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 8746669 SACZXBJQZVXEBK-OAHLLOKOSA-N 346.390 2.488 30 40 EEEB CCO[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 71802097 GOTPKOBTSZKARR-QZTJIDSGSA-N 327.428 2.018 30 40 EEEB C/N=C(/NCc1nccn1C)NCC1(Sc2ccccc2)CC1 97010923 ABCAXEOGWJWMHZ-UHFFFAOYSA-N 329.473 2.410 30 40 EEEB Cc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)c(C#N)c1C 76803538 CVZSSJFIEIBXMZ-UHFFFAOYSA-N 327.432 2.194 30 40 EEEB C=CCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(CC)cc12 35289261 XFVNTJORRIHXNT-UHFFFAOYSA-N 327.413 2.463 30 40 EEEB C[C@H](NC(=O)C#Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 80550422 KIGRLRXFJNJKNB-AWEZNQCLSA-N 342.420 2.287 30 40 EEEB N/C(=N/Cc1ccnc(N2CCCCCC2)c1)N1CCSCC1 97227325 VPEMBKMHYKQCBT-UHFFFAOYSA-N 333.505 2.326 30 40 EEEB CCOC(=O)c1sc(NC(=O)c2nn(C)cc2C)c(C#N)c1C 38488110 SJIUAMFYRIJPDA-UHFFFAOYSA-N 332.385 2.399 30 40 EEEB Cc1nn(C)c(C)c1/C=C/C(=O)[C@H](C#N)C(=O)NC1CCCCC1 100871155 CPXHNUFTXGGABH-SCOAYWHSSA-N 328.416 2.208 30 40 EEEB N#Cc1ccc(CS(=O)(=O)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106773380 GTKXKNJSSSTWRU-JYJNAYRXSA-N 332.425 2.331 30 40 EEEB N#Cc1ccc(OCCSc2nnc(CN3CCCC3=O)o2)cc1 44173479 NAPIVRIJQCGSBP-UHFFFAOYSA-N 344.396 2.235 30 40 EEEB CCc1cc(/C(Cc2nncn2-c2ccccc2)=N\N)c(O)cc1O 58167675 VARXSEPLCUBHPC-QNGOZBTKSA-N 337.383 2.146 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@@H]2C12CC2 4380563 BAOWMYTUKUMZDC-ZVWTZBBHSA-N 337.335 2.126 30 40 EEEB CN(C)S(=O)(=O)c1ccc2oc(SCCCC#N)nc2c1 7254290 FKCXSEFDJWLMPD-UHFFFAOYSA-N 325.415 2.474 30 40 EEEB N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCSCC2)c([N+](=O)[O-])c1 71904190 CANVIZJARDFYRH-AWEZNQCLSA-N 346.412 2.011 30 40 EEEB C=C(C)CN1CCC(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 84670806 IVBMFACXCKVMJD-INIZCTEOSA-N 345.491 2.035 30 40 EEEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(F)c1 409208013 DTEJADVYHNBCTH-UHFFFAOYSA-N 342.282 2.222 30 40 EEEB C[C@H](O)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 95986225 FTKLFWWJZKBYPU-JTQLQIEISA-N 330.837 2.287 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(C#N)CO)cc1 225634055 DXSQVZVQDKDNSR-FGTMMUONSA-N 327.405 2.437 30 40 EEEB N#C[C@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252516471 SSIJPRGSGPHKOC-UXLLHSPISA-N 345.351 2.360 30 40 EEEB CC(C)CN1C[C@@]2(COCCN(Cc3ccc(C#N)cc3)C2)CC1=O 585104687 QXSKYDGKHVZLPF-HXUWFJFHSA-N 341.455 2.265 30 40 EEEB C#CCNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 48845454 HCAYYSJDWXIBJL-SECBINFHSA-N 339.189 2.214 30 40 EEEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 5152711 FKLCSZODYQCFMJ-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB CCOc1c/c(=N/N=C(\C)c2ccc(Cl)cc2)n(C)c(=O)n1C 5641584 YLCIXWQIBQXSPM-ZJRYVYPNSA-N 334.807 2.101 30 40 EEEB COC(=O)[C@H]1CCCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 202757880 BBVVPVVEPHVVBS-AWEZNQCLSA-N 345.248 2.375 30 40 EEEB O=c1[nH]c2ccc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)cc2[nH]1 1439218 XWFMODBBOXXPDY-OMCISZLKSA-N 326.268 2.244 30 40 EEEB COc1ncccc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 31400045 BCMDSHZYVDKTIZ-UHFFFAOYSA-N 340.358 2.063 30 40 EEEB CC1=CC(=O)C=C(C)C1=NOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3106716 CEEMMDROOFQPQR-UHFFFAOYSA-N 345.267 2.491 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@H]1CCCO1 29161628 JYKLPHOINAMVGR-VXGBXAGGSA-N 326.356 2.001 30 40 EEEB C=CCn1c(S)nc2cc(C(=O)NCC(F)(F)F)ccc2c1=O 29816261 POXNNVTYWQCLOY-UHFFFAOYSA-N 343.330 2.163 30 40 EEEB N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]1)C(=O)Nc1ccccn1 104055795 VCZQQDFPSOQDHN-LBPRGKRZSA-N 333.351 2.238 30 40 EEEB N#Cc1cccnc1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 54124397 DKOCWOIZBLUKPY-INIZCTEOSA-N 335.411 2.267 30 40 EEEB CCOC(=O)C[n+]1cccc(-c2nn(-c3ccccc3)cc2C=O)c1 3188452 SMPFOPOVQCUIQJ-UHFFFAOYSA-N 336.371 2.202 30 40 EEEB CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1 58180490 HTZYGKNDHFYSAL-MRXNPFEDSA-N 335.473 2.491 30 40 EEEB C[C@@](C#N)(NC(=O)COC(=O)c1nc(Cl)ccc1Cl)C1CC1 4767451 GOCRFJOTEBUNAS-AWEZNQCLSA-N 342.182 2.354 30 40 EEEB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCCCCC#N)C1=O 71802067 GXQRRKLLAYRLPU-SFHVURJKSA-N 343.383 2.081 30 40 EEEB N#Cc1ccc(OC2CN(C(=O)c3ncoc3[C@H]3CCCO3)C2)cc1 95943077 JPFYIXUPYYGLIN-OAHLLOKOSA-N 339.351 2.301 30 40 EEEB COC(=O)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)C)cc1 36619651 ZMPFVKKAPOJTAF-INIZCTEOSA-N 331.368 2.267 30 40 EEEB COc1cc(/C=N\n2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC 31719637 DHORTVBPLYGEIF-JMIUGGIZSA-N 341.367 2.245 30 40 EEEB N#C[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218440725 SSIJPRGSGPHKOC-VYDXJSESSA-N 345.351 2.360 30 40 EEEB C[C@H]1C(=O)NCCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 96414407 GTQDWFUROKISDN-ZDUSSCGKSA-N 334.379 2.262 30 40 EEEB CCOc1ccc2c(c1)[C@H](NC(=O)C#C[C@H]1CCCOC1)CCO2 1615591289 UCEPYUIGZIPJRT-RHSMWYFYSA-N 329.396 2.455 30 40 EEEB C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/c1cccc([N+](=O)[O-])c1 96901456 KVXIMPKBNBVMNR-BFWGRDPESA-N 335.341 2.187 30 40 EEEB O=c1[nH]cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 54422213 ZEQVIAFPZUOWSZ-UHFFFAOYSA-N 347.179 2.375 30 40 EEEB CN(c1ccc(C#N)cn1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 71859538 VSJRVLKIEFEDES-HNNXBMFYSA-N 338.415 2.314 30 40 EEEB CC(C)(C)C(=O)NC1(C#Cc2cncc(C(N)=O)c2)CCCCC1 12219828 LGLXPJRFYNQUCV-UHFFFAOYSA-N 327.428 2.397 30 40 EEEB N#CC1(N2CCC3(CC2)OCCO3)CCN(Cc2ccccc2)CC1 205219893 RVTRSPDSMLVITK-UHFFFAOYSA-N 341.455 2.384 30 40 EEEB COc1ccccc1N1C[C@@H](C(=O)NCC#Cc2ccccc2)CC1=O 25583823 IDGUTBOABXNHGA-KRWDZBQOSA-N 348.402 2.216 30 40 EEEB N#CCCN(C(=O)COc1cccnc1[N+](=O)[O-])c1ccccc1 7544696 HQCDOXNLJSOAOH-UHFFFAOYSA-N 326.312 2.315 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@@H](O)c3cc(F)ccc3F)CC2)c1 51877488 ZKKHNSPXTIQENP-QGZVFWFLSA-N 344.365 2.087 30 40 EEEB COc1c2c(cc3c1[C@@H](C#CCN1CCCC1)N(C)CC3)OCO2 487088 GBBHOVXMTWFAEM-OAHLLOKOSA-N 328.412 2.052 30 40 EEEB biogenic CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 52580854 YNEUWSMYRIQQJX-ZWKOTPCHSA-N 327.428 2.160 30 40 EEEB Cc1cccc(N[C@H]2CCN(c3sccc3C#N)C2=O)c1C(N)=O 89686271 SDAUJEXZBMHIID-ZDUSSCGKSA-N 340.408 2.245 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 25233725 DUZWAGLDVGJJMK-UHFFFAOYSA-N 325.347 2.446 30 40 EEEB O=C1/C(=N/Nc2ccccc2)c2ccccc2N1CN1CCOCC1 12960179 DEBHGCFLCCVNHZ-DYTRJAOYSA-N 336.395 2.139 30 40 EEEB C=CCn1cnnc1S[C@H](C(=O)NC(=O)NCC)c1ccccc1 6609541 FZIPWCVOEDRPPT-ZDUSSCGKSA-N 345.428 2.143 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 72234477 WSLONRRXAMDWOY-WBAXXEDZSA-N 327.428 2.411 30 40 EEEB N#C[C@]1(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CCSC1 76092650 YQGJITDQNVDKLT-ZIAGYGMSSA-N 343.374 2.395 30 40 EEEB CCc1nsc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)n1 78577473 RJSINLAFRFYRIE-UHFFFAOYSA-N 328.445 2.311 30 40 EEEB COc1cc(/C=N\n2cnnc2)ccc1OC(=O)c1cccs1 30738758 RCALTLYCCNWLJR-LSCVHKIXSA-N 328.353 2.450 30 40 EEEB CCOC(=O)N1CCN(c2nc(N(CC)CC)cc(C)c2C#N)CC1 71280399 UJEUSNOZMWASSM-UHFFFAOYSA-N 345.447 2.386 30 40 EEEB N#Cc1ccc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 96455770 KIKZYEREFKNERF-UHFFFAOYSA-N 342.424 2.350 30 40 EEEB C=CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@]1(C)O 245232028 NWUXBZWNOPUFOF-XUWXXGDYSA-N 346.358 2.039 30 40 EEEB C[C@H]1NC(=O)CC[C@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 619676938 AEKJZFILMVHOBG-RDDDGLTNSA-N 326.183 2.262 30 40 EEEB C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(OCCF)c2)C1=O 390835612 SJXJMXXUUYSHKQ-HNNXBMFYSA-N 335.379 2.286 30 40 EEEB COC(=O)c1nc(O)c(C#N)c(C(=O)OC)c1-c1ccc(F)cc1 16941886 YJBXJAAIYISXEN-UHFFFAOYSA-N 330.271 2.038 30 40 EEEB C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]21 229774590 FDLLEBFMOIHMNM-QMYADUOMSA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro CCc1ncnc(N2C[C@H]3CN(c4cnccc4C#N)C[C@@H]3C2)c1F 1888856494 DWZZZEOJWRNDOQ-ZIAGYGMSSA-N 338.390 2.017 30 40 EEEB C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 1776001376 PWDPEBYSLZCHBT-TXEJJXNPSA-N 334.397 2.003 30 40 EEEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(OC)nc1 16206354 FRGMLENUJCSBLB-UHFFFAOYSA-N 327.340 2.378 30 40 EEEB COCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CCCC1 45512776 PCKFKQUIQYKDIN-UHFFFAOYSA-N 345.443 2.214 30 40 EEEB C=CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4908724 NWUXBZWNOPUFOF-DDUZABMNSA-N 346.358 2.039 30 40 EEEB Cn1c([C@@H](C#N)C(=O)c2cccc3c2OCC(=O)N3)nc2ccccc21 103796097 GOPRDVWBWMOQHP-LBPRGKRZSA-N 346.346 2.394 30 40 EEEB CCCCCOc1c(/C=N/Nc2nc(=O)[nH]nc2C)cccc1OC 4422771 NSUXHRYZZCLNFL-WOJGMQOQSA-N 345.403 2.497 30 40 EEEB CCOC(=O)/C(=N/Nc1ccccc1[N+](=O)[O-])c1csc(N)n1 5568547 ROILJVZZMPKXSH-GZTJUZNOSA-N 335.345 2.013 30 40 EEEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NC1CCCC1 5813055 NUCUGNBYEADWMA-GFCCVEGCSA-N 343.383 2.143 30 40 EEEB COc1ccc(OC)c(CN2CCN(c3ccc(C#N)nc3)CC2)c1 96455751 QSUIGUZVGPCNPY-UHFFFAOYSA-N 338.411 2.293 30 40 EEEB C=CCNC(=O)CN1CCO[C@H](c2ccccc2C(F)(F)F)C1 96500915 CCJXZRZKDCISKX-AWEZNQCLSA-N 328.334 2.381 30 40 EEEB Cc1ccn(Cc2nc(-c3ccc(F)c(F)c3)no2)c(=O)c1C#N 97114914 KTFFZGYZHVYZIC-UHFFFAOYSA-N 328.278 2.405 30 40 EEEB Cn1c(=O)n(C)c2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)ccc21 408589168 DDWWEXHOFUHKCD-VCHYOVAHSA-N 340.339 2.336 30 40 EEEB CC(=O)N1C[C@H](Nc2ccc(C)c(C#N)n2)CC[C@@H]1C(F)(F)F 583616725 JESJFUAZWIWYRQ-DGCLKSJQSA-N 326.322 2.615 30 40 EEEB C[C@]1(C#N)CCCN(C(=O)c2cnn(CCO)c2-c2ccccc2)C1 619442787 SASXJVFIXGHKHA-LJQANCHMSA-N 338.411 2.308 30 40 EEEB COC(=O)c1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 44866526 CFWUHVKDDIKOBO-ZDUSSCGKSA-N 338.363 2.429 30 40 EEEB CC1CCC(NC(=O)COC(=O)COc2ccc(C#N)cc2)CC1 8010157 XMAVIOMILPSDQV-UHFFFAOYSA-N 330.384 2.175 30 40 EEEB CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCOC)cc1 4540493 MPQYRPSLBIIYFK-MRXNPFEDSA-N 333.384 2.406 30 40 EEEB C#CCOc1ccc(C[C@H]2SC(=S)N(CCOC)C2=O)cc1 8104726 BUXJXNNGYMXKHC-CQSZACIVSA-N 335.450 2.116 30 40 EEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 101312517 SDBGKGISJZKUGD-MMEFHMBZSA-N 338.454 2.006 30 40 EEEB Cc1nc(C(C)(C)C)sc1/C(O)=N/S(=O)(=O)c1cnn(C)c1 61067559 ZWNGKSJYPKCUEO-UHFFFAOYSA-N 342.446 2.176 30 40 EEEB CCCCCCCCCS(=O)(=O)O[C@@H]1CCS(=O)(=O)C1 100747765 DPRGZZJRARGOTR-CYBMUJFWSA-N 326.480 2.271 30 40 EEEB COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc(OC)c1C 104055639 AMJQDIDRMPTTPL-CYBMUJFWSA-N 339.351 2.368 30 40 EEEB COCCN1C(N)=C(c2nc3ccccc3[nH]2)C(=O)[C@H]1c1ccccc1 12560401 LQUCUKUKCKBQSG-QGZVFWFLSA-N 348.406 2.463 30 40 EEEB C#Cc1cccc(NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 58198090 IVZHRGSIHAFNJJ-UHFFFAOYSA-N 343.427 2.159 30 40 EEEB CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3C#N)ccc21 15324906 MQNFDHNEYKTRNX-UHFFFAOYSA-N 342.376 2.235 30 40 EEEB N#C[C@H](c1ccccc1)N1CCN(CCOCC(F)(F)F)CC1 88523706 IYWLAIWTSQZHPW-OAHLLOKOSA-N 327.350 2.448 30 40 EEEB Cc1cc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)no1 81371209 UKEHMIYZSIZIEM-AWEZNQCLSA-N 342.374 2.322 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(C(=O)c4ccncc4)C3)C2)c1 96218914 CZVCZVKRHWCXCU-ICSRJNTNSA-N 348.406 2.439 30 40 EEEB COc1ccc(C2=C(C(C)=O)Sc3nnc(C)n3N2C(C)=O)cc1 4518344 XCGGNZXBZHCEEU-UHFFFAOYSA-N 344.396 2.143 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)c2c[nH]c(=O)c(Cl)c2)c(C)c1 54424551 BTTCGZGIRJGPQU-UHFFFAOYSA-N 340.788 2.339 30 40 EEEB Cc1nc([C@@H](NC(=O)CNc2ccc(C#N)cc2)c2ccccc2)n[nH]1 69812599 DDKRBWULYMSGLW-SFHVURJKSA-N 346.394 2.303 30 40 EEEB CCN1/C(=N\C(=O)CCC2CCCC2)S[C@H]2CS(=O)(=O)C[C@H]21 101314935 XFBWWMYAILUIFX-MMEFHMBZSA-N 344.502 2.074 30 40 EEEB O=S1(=O)OC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)F 60154100 ZIIYMRHOENVDHP-GSVOUGTGSA-N 330.099 2.438 30 40 EEEB N#Cc1cccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c1 12655136 HXGISUWOACBBGU-UHFFFAOYSA-N 334.335 2.090 30 40 EEEB Cc1ccc(-c2nnn(CC(=O)OCc3ccc(C#N)cc3)n2)cc1 7711242 ADGYPZFULBDTPY-UHFFFAOYSA-N 333.351 2.264 30 40 EEEB CCOCCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 69509591 XXFDZPWYPQSCJD-OAHLLOKOSA-N 347.440 2.215 30 40 EEEB C/N=C(/NCc1ccc(OC)cc1)NCC1(SC)CCOCC1 75006766 NSMKXOUQKQMEFE-UHFFFAOYSA-N 337.489 2.272 30 40 EEEB N#Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 408859976 WKDUGGGFOLMPQY-OQLLNIDSSA-N 335.294 2.364 30 40 EEEB C=CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 28206507 OHKSPRYAGWEYQU-UHFFFAOYSA-N 342.420 2.354 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(F)(F)F 83536993 GVZOWOJVAQTJAM-SNVBAGLBSA-N 334.319 2.034 30 40 EEEB CC1(C)[C@@H]2C[C@@H]3OB([C@@H](N)Cc4ccc(O)c(O)c4)O[C@@]3(C)[C@H]1C2 265540529 BTYCLJNTAHVQTD-IKKBDOILSA-N 331.221 2.235 30 40 EEEB Cc1cnc(OC[C@@]23CCC[C@H]2CN(c2nccc(C#N)n2)C3)nc1 1888863480 AXYGKIJTQDQKNL-KSSFIOAISA-N 336.399 2.132 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 40135200 HCDBDJQHNMPKTC-GOSISDBHSA-N 345.874 2.476 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)CCCc1ccc(Br)s1 102700100 UZHLXVDPWNMFPS-VIFPVBQESA-N 329.219 2.288 30 40 EEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC 104750642 PUZPLQBZONHLMQ-GLKLPLOUSA-N 340.379 2.235 30 40 EEEB CC(=O)Nc1ccc(/C=C/C(O)=N/S(=O)(=O)c2cccnc2)cc1 42323031 KZHHKRFTIDHZQH-RMKNXTFCSA-N 345.380 2.399 30 40 EEEB Cc1nn(-c2ccccc2)c(COC(=O)c2c(C)noc2N)c1C#N 12482755 DBSZCIVCHLMQEF-UHFFFAOYSA-N 337.339 2.288 30 40 EEEB C=CCOc1ccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1 105740461 BXKDJDYTPQPGQK-AJGWWKNYSA-N 343.448 2.226 30 40 EEEB C#CCN1CCN(C(=O)NCc2csc(-c3ccccc3)n2)CC1 89899025 QXSALJHJNBDLAC-UHFFFAOYSA-N 340.452 2.271 30 40 EEEB COc1cc(/C=N/n2c(C)nc3ccccc3c2=O)cc(OC)c1O 6078784 YUSOZAWHJWEZSL-VXLYETTFSA-N 339.351 2.310 30 40 EEEB N#Cc1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1 6084738 XOFPWOLNHUFDAN-UHFFFAOYSA-N 348.314 2.460 30 40 EEEB Cc1noc([C@@H](C)N2CCN(CCOc3ccccc3C#N)CC2)n1 69630552 VADYFPNAFWCEKX-CQSZACIVSA-N 341.415 2.007 30 40 EEEB N#C[C@@H](C(=O)CCn1cc(Br)ccc1=O)c1ccccn1 76021646 IMLSOWJITNLSIG-GFCCVEGCSA-N 346.184 2.272 30 40 EEEB CN(CC1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1Cl 97054297 IFCGOOAHOQQSPS-UHFFFAOYSA-N 328.821 2.259 30 40 EEEB CC/N=C(\NCc1sccc1C)NC[C@@H](c1cnn(C)c1)N(C)C 89083260 JDDFOVVVCBOVPL-HNNXBMFYSA-N 348.520 2.148 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[C@H]1n1cc(CO)nn1 521398513 LKNVUEHTGNPRPW-JKSUJKDBSA-N 342.359 2.146 30 40 EEEB CC(C)(C)c1ccc(S(=O)(=O)NCC#CCN2CCCC2)cc1 85470557 PWRYVCPSLSRWHC-UHFFFAOYSA-N 334.485 2.362 30 40 EEEB CC(=O)N[C@@H](/C(O)=N/S(=O)(=O)c1ccccc1C)C1CCCC1 48425273 PRZUVGAMVZITTK-OAHLLOKOSA-N 338.429 2.335 30 40 EEEB CC[C@@H]1CN(/C(=N/C)NCc2nncn2C)CC[C@@H]1c1ccccc1 97021797 GCYUWWDRNLZBEW-WBVHZDCISA-N 340.475 2.406 30 40 EEEB Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(=S)[nH]nc(C)c1=O 100994144 JUZHQUHSMVZGPP-RQZCQDPDSA-N 340.412 2.294 30 40 EEEB COc1ccccc1CN1C(=O)/C(=N/O)c2cc([N+](=O)[O-])ccc21 46084756 XQHACLHVYPJCHW-BMRADRMJSA-N 327.296 2.329 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1 105644698 VYMMVWOLYRRRFA-GXQJVFRQSA-N 325.324 2.126 30 40 EEEB N#Cc1cccnc1NC[C@@H]1CCN(CCC(=O)NC2CCCC2)C1 65513790 LBJPLKMCJSOKCG-HNNXBMFYSA-N 341.459 2.136 30 40 EEEB CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 19902589 HOKDXDLSPXLYQB-UHFFFAOYSA-N 346.500 2.465 30 40 EEEB COc1cc(/N=C/c2c(CO)cnc(C)c2O)cc(OC)c1OC 96901021 PSIRHOWWDLODMR-UFWORHAWSA-N 332.356 2.364 30 40 EEEB CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CC(=O)N(CC2CC2)C1 72271668 NBUTXKOMJJHQKI-AWEZNQCLSA-N 328.416 2.312 30 40 EEEB N#Cc1ccccc1C(=O)OCCn1cc(Br)ccc1=O 97034395 YAXMYELHSICBGF-UHFFFAOYSA-N 347.168 2.339 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cccc(-n3cccn3)n2)cc1 77864786 QQKGCCZVMVBPIW-UHFFFAOYSA-N 342.380 2.269 30 40 EEEB CCc1nc(C#N)cc(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 585099440 HEJKCJRQNJXTCF-KBPBESRZSA-N 343.431 2.499 30 40 EEEB C#CC1CCN(C(=O)Cc2nnc(-c3ccccc3OC)o2)CC1 585117875 PHGUBXWYWPNXFP-UHFFFAOYSA-N 325.368 2.160 30 40 EEEB Cc1ccc(-c2ccc(=O)n(CC(=O)N[C@@](C)(C#N)C(C)C)n2)s1 58217380 LOVJMEOCUJDQST-KRWDZBQOSA-N 344.440 2.335 30 40 EEEB CC1(C)CC[S@](=O)c2ccc(C#Cc3ncc(C(=O)O)cn3)cc21 1857524130 NENFGFHRYIOMTM-DEOSSOPVSA-N 340.404 2.364 30 40 EEEB C=CCSCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 69417043 DQKXTMZHLVRHIM-UHFFFAOYSA-N 333.501 2.466 30 40 EEEB Cc1cnn(CCN[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 71872103 HFHNWNJDHRVPNP-LBPRGKRZSA-N 343.456 2.230 30 40 EEEB CC/N=C(/NCCc1cnn(C)c1C)NCCc1c(F)cccc1F 97022019 LFUXTHMPRKWUEH-UHFFFAOYSA-N 349.429 2.347 30 40 EEEB N#C[C@]1(NC(=O)COc2ccccc2Br)CCSC1 95449059 SXHRMEBVOYTRQH-CYBMUJFWSA-N 341.230 2.343 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/Cc3ccccc3)C2=O)cc1 408528862 XDXJVEXRXGFGOP-DDLUMYACSA-N 335.363 2.465 30 40 EEEB N#C[C@H](CS(=O)(=O)NCCCc1ccccc1)C1CCOCC1 1615549997 OWXMBQKSHOOBJJ-QGZVFWFLSA-N 336.457 2.105 30 40 EEEB COc1ccc(CNC(=O)COc2cccc(C#N)c2)cc1OC 3434281 IQGDCPBCSDRHKR-UHFFFAOYSA-N 326.352 2.271 30 40 EEEB CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 36431064 KQTUTKFAVZBPGR-UKRRQHHQSA-N 329.400 2.160 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 100968616 QYJKIMMAXAPBGR-RYUDHWBXSA-N 331.397 2.124 30 40 EEEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccoc2)cc1 104308268 JUWCVTYPHBWTAI-SDXDJHTJSA-N 347.396 2.345 30 40 EEEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCC1 28915544 GPWMTRGOZGGNHC-SXGWCWSVSA-N 338.473 2.467 30 40 EEEB Cc1cc(S(=O)(=O)N(CC#N)c2ccccc2)sc1C(=O)O 58141881 LGAFMEGQWVMQOB-UHFFFAOYSA-N 336.394 2.474 30 40 EEEB CC(C)Cc1nc(/C(O)=N/S(=O)(=O)C2CCOCC2)cs1 58184363 SPEZEUJPZQBAFG-UHFFFAOYSA-N 332.447 2.155 30 40 EEEB CC(C)C(=O)NC[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 58264832 LFFQTHDNFFVNDK-QGZVFWFLSA-N 329.444 2.421 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@H]2CCCO2)cc1 69282247 CSYKIHZXFJIZAP-CHWSQXEVSA-N 327.402 2.224 30 40 EEEB N#CCc1cccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 69947545 XWKJVHKMXHFRCB-HXUWFJFHSA-N 349.434 2.244 30 40 EEEB CCN(CC)CC#C[C@H](C)OC(=O)c1csc(-c2cnccn2)n1 95429449 HLZSSVSNCOYMMW-ZDUSSCGKSA-N 344.440 2.491 30 40 EEEB C/N=C(\NCC(C1CC1)C1CC1)N1CC[C@@H](Cc2cnn(C)c2)C1 86543595 YFMSEPAOVYFLJQ-AWEZNQCLSA-N 329.492 2.296 30 40 EEEB C=CCN1C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@]2(c2ccccc2)C1 96083267 RPRCGOWIULOATA-SFHLNBCPSA-N 340.467 2.454 30 40 EEEB C=CCCS(=O)(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 585115361 XQAFDHQNWVABQE-UHFFFAOYSA-N 340.836 2.163 30 40 EEEB CC[C@@H](CNC(=O)c1c[nH]c2nccc-2c1)N=c1cc(C)[nH]cc1C#N 1103218786 YNFFHYQMZREUEN-INIZCTEOSA-N 348.410 2.132 30 40 EEEB C[C@@H](CC1(C#N)CCOCC1)NCc1nncn1-c1ccccc1 598894757 BBRUSLWQASNWSH-HNNXBMFYSA-N 325.416 2.456 30 40 EEEB Cn1cnc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)c1Cl 88547268 YNKGALLTHIXAHE-UHFFFAOYSA-N 331.184 2.399 30 40 EEEB C=CC/N=c1\sc(C(=O)Nc2ccccc2)cc(=O)n1CC=C 15319479 NJHYPYCGUGVZGJ-ZCXUNETKSA-N 327.409 2.435 30 40 EEEB CSc1ccc(CNC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1 21354065 YEUQVLXRMJBPRM-UHFFFAOYSA-N 341.436 2.375 30 40 EEEB Cc1cccc(CC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1 225481756 MVTGAKFSAHUOFH-MRXNPFEDSA-N 336.395 2.269 30 40 EEEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69490883 GJDJNTHQLJKYRY-JCGIZDLHSA-N 327.428 2.411 30 40 EEEB C[C@H]1CN(C(C)(C)CNC(=O)NCC#Cc2ccccc2)C[C@@H](C)O1 32802841 VFSMSXQRIRSHGO-CALCHBBNSA-N 343.471 2.225 30 40 EEEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@H]2CCC[C@H]21 53382644 MTCLQIIESZXTSJ-SJORKVTESA-N 330.432 2.126 30 40 EEEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)C12C3[C@@H]4C5CC([C@H]41)[C@@H]2[C@@H]53 102318533 ZQQVKCRFFOXSQC-OOMZENFZSA-N 328.437 2.407 30 40 EEEB N#Cc1c(CN2CCN(C(=O)c3ccco3)CC2)cn2ccccc12 48260855 KMDWJYVIMSQJDX-UHFFFAOYSA-N 334.379 2.362 30 40 EEEB Cc1cccc(N(CCC#N)S(=O)(=O)c2ncn(C)c2Cl)c1 69744489 SWSMSXAQRNDVRM-UHFFFAOYSA-N 338.820 2.491 30 40 EEEB CCc1nn(C[C@H](O)c2ccc(OC)c(F)c2)c(=O)c(C#N)c1CC 69869660 MHOBUXZAJBLWII-INIZCTEOSA-N 345.374 2.121 30 40 EEEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2ccn[nH]2)C1 72270608 DNUBYVQBTSGRIX-GJZGRUSLSA-N 329.448 2.320 30 40 EEEB CC(C)c1noc([C@@H]2C[C@H](NC(=O)c3ccc(C#N)cc3)CN2C)n1 20464298 CWBQTMXOXHTMKE-GJZGRUSLSA-N 339.399 2.240 30 40 EEEB biogenic,in-vitro CCN1CCN(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 73491452 VQLOABTVKGCMBC-GOSISDBHSA-N 342.487 2.302 30 40 EEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218105677 NLAXDUJKZPBIPJ-KZNAEPCWSA-N 342.420 2.164 30 40 EEEB O=C[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 218163532 KWPBYEPKJUBWFD-XOKHGSTOSA-N 330.361 2.170 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)c1 74765842 AJFDUUKTYMOHTO-UHFFFAOYSA-N 343.390 2.464 30 40 EEEB CCn1c(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)cnc1C 225792186 NSEPIWCTGXNVSW-UHFFFAOYSA-N 336.392 2.460 30 40 EEEB C=C(C)CN(CC)C(=O)N[C@H]1CCCN(c2ccnn2CC)C1=O 191222718 ZFBMAVRXLXWTMC-AWEZNQCLSA-N 333.436 2.006 30 40 EEEB N#Cc1cccc(C(=O)N2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1 96161428 UKYBSGHZLYDXPA-RXVVDRJESA-N 345.402 2.304 30 40 EEEB CS(=O)(=O)N1CCC(CNc2ccc(C#N)c(Cl)c2)CC1 96405401 HBCVMJCCCGHLMA-UHFFFAOYSA-N 327.837 2.295 30 40 EEEB CCc1nn(C)cc1/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 92697293 IBVLAODDRWHCAV-UHFFFAOYSA-N 345.783 2.469 30 40 EEEB COc1cc(/C=N/N=C2\C(=O)Nc3ccccc32)cc(OC)c1OC 342870 KYMXOODIJONWEO-VXLYETTFSA-N 339.351 2.488 30 40 EEEB CO/N=C/c1ccc(C(=O)Nc2cccc(-c3nnnn3C)c2)cc1 22549138 DEXQCZGTOYDNSL-WOJGMQOQSA-N 336.355 2.110 30 40 EEEB CCOC(=O)/C(=N/C[C@@H]1CCCO1)NNc1ccccc1Cl 3178873 SFMPLSNCCXLXBZ-NSHDSACASA-N 325.796 2.397 30 40 EEEB Cc1cc(-c2nnn(CC(=O)Nc3sccc3C#N)n2)ccc1F 58297641 RCWQFNKIWXOOIY-UHFFFAOYSA-N 342.359 2.360 30 40 EEEB N#CCCN(CCC#N)C(=O)COc1ccc2c(c1)CCCC2=O 58294926 VXMRESHJTRHOQT-UHFFFAOYSA-N 325.368 2.240 30 40 EEEB C=CCO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 58405939 JSFYHJWGVCXIHZ-CYBMUJFWSA-N 338.429 2.001 30 40 EEEB N#CCCN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc(Cl)c1 69654494 KNIYNDKHXOUNKC-LBPRGKRZSA-N 328.821 2.281 30 40 EEEB CC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(C(=O)O)cc1)C2=O 6687309 AWOJUEXPDFOZPA-VCHYOVAHSA-N 329.356 2.219 30 40 EEEB Cc1ccccc1CNC(=O)CO/N=C(/N)c1nccc2ccccc12 72281938 HBUYTMWDDMZDRJ-UHFFFAOYSA-N 348.406 2.497 30 40 EEEB N#C[C@@]1(NC(=O)COc2ccccc2Br)CCSC1 95449058 SXHRMEBVOYTRQH-ZDUSSCGKSA-N 341.230 2.343 30 40 EEEB N#Cc1c(F)cccc1NCCNC(=O)[C@@H]1COc2ccccc21 79094998 PGHOLJALCIHIAB-CQSZACIVSA-N 325.343 2.402 30 40 EEEB NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1F 49546313 FTTCASQXWFENDP-OAHLLOKOSA-N 326.331 2.143 30 40 EEEB N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@H](CN4CCCC4)[C@H]3C2)cc1 96185424 CFMQAMPPCUKUSX-GBESFXJTSA-N 339.439 2.131 30 40 EEEB C=CCO[C@@H]1CCN(C(=O)Cc2ccccn2)[C@H]1Cc1cccnc1 96200154 JGYNPUTZSLJDFU-RBUKOAKNSA-N 337.423 2.434 30 40 EEEB C#CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 252462056 PLKWEVUMSNPOQP-CWVBCOCOSA-N 328.432 2.079 30 40 EEEB biogenic N#Cc1ccccc1S(=O)(=O)N1CCCC[C@H]1CCCC(=O)O 594673360 PDBXUDFRWWOFRB-AWEZNQCLSA-N 336.413 2.356 30 40 EEEB CC[C@@H](C)c1ccccc1N1C[C@H](/C(O)=N/S(C)(=O)=O)CC1=O 40129812 VBZIUKPCOKFUGD-VXGBXAGGSA-N 338.429 2.469 30 40 EEEB COc1cccnc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 58423383 ZAFUJCSBEMTJEA-UHFFFAOYSA-N 337.383 2.212 30 40 EEEB CN1CCc2c(C#N)c(N3CCCC3)nc(NC[C@@H]3CCCO3)c2C1 13815063 LHSWENZCBXDEPN-AWEZNQCLSA-N 341.459 2.132 30 40 EEEB CC(=O)NC(C)(C)/C(N)=N/OCc1cccc(Br)c1 69702920 AICTWMPXXZTZKD-UHFFFAOYSA-N 328.210 2.153 30 40 EEEB N#Cc1cccc(OCCN2CCNC(=O)[C@H]2c2cccs2)c1 72798981 PRRAOKAVUCEFTJ-MRXNPFEDSA-N 327.409 2.172 30 40 EEEB Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 95428252 TZZFUUDEDXVRFL-PBHICJAKSA-N 328.391 2.376 30 40 EEEB CCc1nc(CN(C)[C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)no1 78891519 WTKHGAVGNOVEOY-MRXNPFEDSA-N 343.406 2.349 30 40 EEEB CCCCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1OC 97942967 LPBHLWXKIIMCLW-UXBLZVDNSA-N 347.367 2.495 30 40 EEEB N#Cc1cc(NC(=O)NCCCCN2CCC[C@H]2CO)ccc1F 96434618 XZPTYCHXTHCXLZ-HNNXBMFYSA-N 334.395 2.056 30 40 EEEB Cc1nc[nH]c1CN1C[C@H]2OC[C@H](COc3cccc(C#N)c3)[C@H]2C1 96215929 FCSBVNJJKBUQER-KVSKMBFKSA-N 338.411 2.116 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccccc1SCC(F)(F)F 51587611 LKORRMKFNXYBDE-UHFFFAOYSA-N 345.346 2.212 30 40 EEEB C=C(Br)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 65593112 BIDZTCLDMWFZBH-UHFFFAOYSA-N 328.166 2.345 30 40 EEEB CS(=O)(=O)Cc1ccc(/C(O)=N/c2nc(C(F)(F)F)n[nH]2)cc1 36744341 OQDBKVXKCFPGGZ-UHFFFAOYSA-N 348.306 2.004 30 40 EEEB C#CCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl 27369823 SNJNNOMJAGUJBV-MDWZMJQESA-N 334.784 2.458 30 40 EEEB CCOC(=O)NC(=O)CSc1nc2ccccc2n1CCC#N 3279193 PNVDDIVVTZGOPL-UHFFFAOYSA-N 332.385 2.315 30 40 EEEB C=C(Br)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 69592759 ORZRQSJIHRVRBM-CQSZACIVSA-N 334.173 2.234 30 40 EEEB C#CCN1C(=O)[C@@](O)(CC(=O)c2cccc(OC)c2)c2ccccc21 4294807 PCUNJFMVQVOUQU-HXUWFJFHSA-N 335.359 2.136 30 40 EEEB C=CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 5210496 FASYEJKXWJDIAF-UHFFFAOYSA-N 332.385 2.149 30 40 EEEB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CNc1cccc(C#N)c1 15294434 XQINLLXBSZDFCD-UHFFFAOYSA-N 340.358 2.206 30 40 EEEB COC(=O)[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 68454233 YZYZSRZVQSUVTL-KRWDZBQOSA-N 343.427 2.175 30 40 EEEB CCc1nc([C@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)no1 75573245 ORCKFWKBIMDBAX-CQSZACIVSA-N 345.447 2.454 30 40 EEEB N#C[C@]1(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)CCSC1 79034425 OVYMONOJBAEAFY-OAHLLOKOSA-N 336.848 2.464 30 40 EEEB COc1ccc(CC(=O)NCCNc2ncccc2C#N)c(Cl)c1 89432644 KTUQTMHDRLJVAI-UHFFFAOYSA-N 344.802 2.386 30 40 EEEB Cc1c(Cl)cccc1-n1ccn2c(SCC#N)nnc2c1=O 46047704 LMZDQWQXXGQFQM-UHFFFAOYSA-N 331.788 2.458 30 40 EEEB N#CCCn1ncc2c(Nc3ccc(N4CCOCC4)cc3)ncnc21 97200299 WBVCDRVEMPHSAL-UHFFFAOYSA-N 349.398 2.320 30 40 EEEB C#CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 252462059 PLKWEVUMSNPOQP-KWLWEVDOSA-N 328.432 2.079 30 40 EEEB biogenic C=CCc1ccccc1OC[C@@H](O)Cn1nc(-c2ccco2)oc1=O 45821628 WGMMOFARIZTKGZ-AWEZNQCLSA-N 342.351 2.265 30 40 EEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NC3CC3)o2)cc1 12421012 DMWKDXWVSYKVGX-UHFFFAOYSA-N 332.385 2.038 30 40 EEEB N#Cc1cc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)ccn1 2298064996 FXLLYJLZSINWEB-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB NC(=O)c1ccccc1OCC#CCNC(=O)/C=C/c1cccs1 85558706 XXCVTKKIGSWMCP-MDZDMXLPSA-N 340.404 2.059 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C1CC1)N(C)C 40555219 TXPMXOSVIVAVKQ-HNNXBMFYSA-N 326.400 2.320 30 40 EEEB N#Cc1ccc(NCC(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 96403392 NQKMQVDNBCDJMH-UHFFFAOYSA-N 336.330 2.329 30 40 EEEB Cc1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)on1 75180883 IEVLGODUGGYFBM-UHFFFAOYSA-N 326.356 2.068 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 107728739 QSNYGAQTCLOBFJ-MJGOQNOKSA-N 335.411 2.194 30 40 EEEB CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccoc1 58282541 VUOJVKSHFDBYGI-UHFFFAOYSA-N 335.367 2.407 30 40 EEEB Cc1cn2nc(N3CC[C@@H](CNc4ncccc4C#N)C3)sc2n1 65492352 PYFHZGWIMTYRKE-LBPRGKRZSA-N 339.428 2.304 30 40 EEEB COc1ccc(Cl)cc1C1(C/N=C(/N)NC2CC2)CCOCC1 72280369 NLNRLGFOJYTZQM-UHFFFAOYSA-N 337.851 2.464 30 40 EEEB C/N=C(/NCC(=O)NC(C)(C)C)NCc1cccc(OC(C)C)c1 95397673 VRKXJJBUHNAMLF-UHFFFAOYSA-N 334.464 2.054 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C=O)[C@@H]2c2ccc3c(c2)OCO3)cc1 218175419 ILELVJOZBHFXDY-JCGIZDLHSA-N 344.388 2.479 30 40 EEEB CC#CCN(Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 257317837 VLJKRBZWCTZSTO-QZTJIDSGSA-N 344.455 2.492 30 40 EEEB COc1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)sn1 585129874 AKSWLQAAKNKLIG-CQSZACIVSA-N 342.424 2.374 30 40 EEEB N#Cc1cccc(NC(=O)N2CCC(CN3CCOCC3)CC2)c1 47338014 USWQDUOXLIVWAE-UHFFFAOYSA-N 328.416 2.134 30 40 EEEB COC(=O)c1ccc(-c2nc(Cn3cnc(C#N)n3)cs2)cc1 50247562 NRUIMGBGEGULHL-UHFFFAOYSA-N 325.353 2.108 30 40 EEEB N#Cc1ccc(-c2cccnc2)n(CC(=O)NCc2ccccc2)c1=O 4931797 UYXUWKORLUGQQN-UHFFFAOYSA-N 344.374 2.098 30 40 EEEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2n[nH]c3ccccc23)n1 6606002 RHPFLDNEOMQXJB-NSHDSACASA-N 340.364 2.361 30 40 EEEB CC/C(=N\c1ccc(C(C)C)cc1)c1c(O)n(C)c(=O)n(C)c1=O 102442995 OZECOTCHBARVTC-XMHGGMMESA-N 329.400 2.444 30 40 EEEB CC(C)c1noc([C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1 29452363 MYGPHSHPMQJQHJ-ZDUSSCGKSA-N 326.404 2.343 30 40 EEEB COC(=O)c1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1 2664265 OPIWRPCGUPLKMV-WOJGMQOQSA-N 346.408 2.402 30 40 EEEB COCCN1CC[C@]2(CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 108535219 IUWPGANWXVTIHL-HXUWFJFHSA-N 341.455 2.409 30 40 EEEB O=C(C[n+]1cccc(Br)c1)Nc1cccc([N+](=O)[O-])c1 1818101 YNTPOUNCVFSLKF-UHFFFAOYSA-O 337.153 2.284 30 40 EEEB COc1ccccc1CCNS(=O)(=O)Cc1ccc(C#N)cc1 12749487 SGNYMCDSKPRKQU-UHFFFAOYSA-N 330.409 2.229 30 40 EEEB N#Cc1cccnc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1 70013142 STDVNEYFKYXHGH-UHFFFAOYSA-N 338.436 2.466 30 40 EEEB C[C@@]1(c2ccc(F)cc2Br)NC(=O)N(CCC#N)C1=O 67785192 ZTQSIJIRPOQKTE-ZDUSSCGKSA-N 340.152 2.269 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1 7899803 JFIVCEJDKWFHDU-UHFFFAOYSA-N 325.393 2.218 30 40 EEEB N#CCc1ccc(OCCN2CCN(C(=O)C3CCCC3)CC2)cc1 71899615 DTZZOEMABZONKA-UHFFFAOYSA-N 341.455 2.466 30 40 EEEB Cc1cc(C)n(C[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2C)n1 71920972 VIJVZZOEUCMXQX-CYBMUJFWSA-N 332.429 2.047 30 40 EEEB COc1cc(OCC(=O)Nc2ccc(C#N)cc2)ccc1[N+](=O)[O-] 22259478 LVLIMXDUXFDUDK-UHFFFAOYSA-N 327.296 2.493 30 40 EEEB C#CCOc1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1 98016251 SWNSEXLJEKTEGB-OAHLLOKOSA-N 327.302 2.228 30 40 EEEB C=CCNS(=O)(=O)c1ccc(NCCCCC)c(C(=O)O)c1 217570121 WGVZRKPQRNLELS-UHFFFAOYSA-N 326.418 2.451 30 40 EEEB Cc1c(NS(=O)(=O)c2cn(C(C)C)cn2)ccc(C#N)c1C#N 585129476 KWSQAJWIDIHOIC-UHFFFAOYSA-N 329.385 2.317 30 40 EEEB CC(C)n1nc(N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1=O 2298041232 UMZVIONFRTYALC-UHFFFAOYSA-N 337.427 2.018 30 40 EEEB C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)C)C2)c1 67557168 CGELFDINSBSYML-INIZCTEOSA-N 345.443 2.179 30 40 EEEB C=CCN(CC(=O)NC(=O)NC1CC1)Cc1ccc(Cl)s1 57363703 VZJMTRYGEVSWOX-UHFFFAOYSA-N 327.837 2.378 30 40 EEEB CN(C(=O)CN1CCC[C@@H]1Cn1cccn1)C1(C#N)CCCCC1 69626989 OEXJLEIRIPTHHZ-MRXNPFEDSA-N 329.448 2.032 30 40 EEEB CN(c1cccnn1)C1CCN(C(=O)c2sccc2C#N)CC1 69841547 VNKTZPKTTLHJOM-UHFFFAOYSA-N 327.413 2.151 30 40 EEEB Cc1cccc(NC[C@@H]2CCCN2CC(=O)N[C@@](C)(C#N)C(C)C)n1 71911954 WZBXUYNGIZNXLP-LPHOPBHVSA-N 343.475 2.321 30 40 EEEB C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)Oc1ccccc1 71905330 NCPVFTIEOMQWCQ-CQSZACIVSA-N 330.409 2.445 30 40 EEEB CC[C@@H](CCO)CNc1ccc(C#N)cc1S(=O)(=O)NC(C)C 97102720 FWKKPXQTSNQMRT-ZDUSSCGKSA-N 339.461 2.065 30 40 EEEB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 84736152 BFBJVSASPVLDPU-LXZKKBNFSA-N 335.473 2.269 30 40 EEEB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)C1(C#N)C#N 218199772 DEGNIUPVGFSGFV-RYUDHWBXSA-N 339.214 2.383 30 40 EEEB CCn1ccnc1[C@@H](NC(=O)c1ccc(C#N)cn1)C1CCOCC1 519654178 CNVVZQNKBQVNPB-INIZCTEOSA-N 339.399 2.067 30 40 EEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 95915223 LBDWQOGLKVUGDZ-MMEFHMBZSA-N 338.454 2.088 30 40 EEEB CCOC(=O)N1CCC(C#N)(NC(=O)OCc2ccccc2)CC1 96102459 IYHLWORCYPQTNR-UHFFFAOYSA-N 331.372 2.427 30 40 EEEB C=CCN1CCC2(CC1)C[C@@H](NC(=O)COC)c1ccccc1O2 96242777 IRHDIVYFXBXYCJ-MRXNPFEDSA-N 330.428 2.293 30 40 EEEB Cc1noc([C@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@@H](C)O2)n1 599154372 UZHUSDWGRPHQBQ-MEBBXXQBSA-N 325.372 2.100 30 40 EEEB CC(C)N(CCCNc1ncc(C#N)cc1Cl)S(C)(=O)=O 65552494 UYMDODKWFRITAF-UHFFFAOYSA-N 330.841 2.079 30 40 EEEB C=CCN1C(=O)N=C(O)/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 1306243 DMBCJYSZPKYXIB-LUAWRHEFSA-N 346.339 2.201 30 40 EEEB Cc1nc(C(F)F)cc(N2CCN(c3cc(C#N)ccn3)CC2)n1 1888842888 YOOGNONCIXCZFL-UHFFFAOYSA-N 330.342 2.316 30 40 EEEB CC/N=C1/S[C@@H](C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC 100203611 DNVGZJFGVOJQAF-PHODEOQFSA-N 335.429 2.364 30 40 EEEB O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCOCC1 173955 IJCSHPWRLJYCBF-QGOAFFKASA-N 346.408 2.164 30 40 EEEB COc1ccccc1/C=N\NC(=N)N/N=C\c1ccccc1OC 104392312 IENIGYDXVJYENX-YZLQMOBTSA-N 325.372 2.186 30 40 EEEB COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1cccs1 1465104 LBIQEDSSCQNNEE-LZYBPNLTSA-N 335.410 2.143 30 40 EEEB CCc1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)no1 67951707 UPGKEIFPXIYYSG-ZDUSSCGKSA-N 346.412 2.072 30 40 EEEB CCOc1ccc2c(c1)CN(CC(=O)N(CCC#N)CCC#N)CC2 58209339 SPLKXKYKQVKXRD-UHFFFAOYSA-N 340.427 2.099 30 40 EEEB C[C@@H](Oc1cccc(/C=C2\CCc3c(cnn3C)C2=O)c1)C(=O)O 58297165 CEIPWSMLYURQHP-KAQJVSAMSA-N 326.352 2.485 30 40 EEEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cccc(C#N)c2)C1=O 58208483 MUGIOIXCVJCDDW-LJQANCHMSA-N 330.347 2.397 30 40 EEEB C[C@H]1C[C@@H](C)CN(C(=O)COCC(=O)Nc2ccc(C#N)cc2)C1 18179383 QGSPEJVOEZIIFE-OKILXGFUSA-N 329.400 2.018 30 40 EEEB COc1ccc(/C(C)=N/Nc2cc(C)nc(N3CCOCC3)n2)cc1 4812450 NSGGLNVXCLBXKQ-KGENOOAVSA-N 341.415 2.466 30 40 EEEB COc1ccc(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cn1 66548381 IRSUOQRNAPMLDS-CQSZACIVSA-N 333.351 2.376 30 40 EEEB C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 71880042 YHVAYAJOJLKXJB-UHFFFAOYSA-N 334.395 2.087 30 40 EEEB N#Cc1ncn(CCC(=O)Nc2cccc(Br)c2)c1C#N 97037612 VDFNAZDREGFIAP-UHFFFAOYSA-N 344.172 2.418 30 40 EEEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](c2nccs2)C1 97203663 OLNJNJGDSIMNMI-KBPBESRZSA-N 348.472 2.248 30 40 EEEB O=S(=O)(/N=C(\O)c1ccco1)c1cnn(-c2ccccc2F)c1 78949028 KZQAONXQKIMUAR-UHFFFAOYSA-N 335.316 2.298 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 225486450 WSNUNBCYZWWSJH-CYBMUJFWSA-N 328.397 2.022 30 40 EEEB CCN(CC)CC#C[C@H](C)OC(=O)c1cccc(-n2cncn2)c1 96482981 HEALUOONKAJBGO-HNNXBMFYSA-N 326.400 2.158 30 40 EEEB N#Cc1nc(COc2ccccc2)oc1NCCCN1CCOCC1 19911288 QIIZPURHTMIUAU-UHFFFAOYSA-N 342.399 2.259 30 40 EEEB C[C@H](C(=O)NS(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 160039581 OBLJUWOAJHGVEX-NSHDSACASA-N 332.356 2.306 30 40 EEEB C#CCn1/c(=N/C(=O)c2ccn(CC)n2)sc2cc(F)ccc21 101068159 JSQBPENMSQYPRS-VLGSPTGOSA-N 328.372 2.433 30 40 EEEB Cc1cc(C)c2c(OCC(=O)Nc3cccc(C#N)c3)nn(C)c2n1 67788720 BQOOURAVLWXNPZ-UHFFFAOYSA-N 335.367 2.474 30 40 EEEB C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccn1 40485096 VCUZALHUOSSDDX-CQSZACIVSA-N 335.411 2.442 30 40 EEEB Cn1cnnc1-c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 32833639 NLNXGHMMYIUTDZ-UHFFFAOYSA-N 339.380 2.155 30 40 EEEB O=C(C#Cc1ccccc1)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 80640928 ZJHVSSGZDWAJRN-IBGZPJMESA-N 344.374 2.257 30 40 EEEB N#Cc1ccc(-c2ccn(CN3CCC(C(=O)NC4CC4)CC3)n2)cc1 58356568 CVODRQYCKALPMY-UHFFFAOYSA-N 349.438 2.370 30 40 EEEB N#Cc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1 3504183 WNXRKYOEMNWGFO-UHFFFAOYSA-N 336.380 2.265 30 40 EEEB C#CC[C@H](OC(=O)c1ccc(-n2cnnn2)c(C)c1)c1ccccn1 65550442 AYLIQHHECGLUOJ-KRWDZBQOSA-N 333.351 2.287 30 40 EEEB CNC(=O)[C@H](Cc1ccccc1)Sc1nc(C)nc(C)c1C#N 97085470 XKCLYTJLYAWEPZ-HNNXBMFYSA-N 326.425 2.415 30 40 EEEB CC/N=C(\NCc1cc(CC)no1)NC[C@@H]1COc2ccccc2O1 95963969 FOBPJLGYOHVXBG-OAHLLOKOSA-N 344.415 2.132 30 40 EEEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1SC 62716310 BVIUMQXVLBURKD-KRWDZBQOSA-N 349.408 2.200 30 40 EEEB C=CCOC[C@@H]1c2nnn(CC)c2CCN1C(=O)c1cc(C)[nH]c1C 96068766 ZAXJFIOMUVVDRQ-MRXNPFEDSA-N 343.431 2.185 30 40 EEEB CCS(=O)(=O)[C@@H](CO)/C(=N/O)c1ccc(-c2ccccc2)cc1 96524675 YILKEJCTKBWVJE-FWSRSQSESA-N 333.409 2.328 30 40 EEEB C#CCN(Cc1nc(-c2ccccc2)oc1C)[C@H]1CCS(=O)(=O)C1 65523638 XGNKQAAXNKTOIZ-INIZCTEOSA-N 344.436 2.272 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)c3ccc(COC)cc3)CC[C@H]2C1 1565551387 DHYOZZBTDATIJI-RBUKOAKNSA-N 344.455 2.182 30 40 EEEB C=CCOc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 15953682 SPHHOWLSFQWFJE-YZGWKJHDSA-N 344.455 2.405 30 40 EEEB biogenic Cc1cc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)no1 27104738 OVTWOMZSLMVIGO-UHFFFAOYSA-N 339.355 2.425 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCc2ccco2)CC1 44917409 WHQAFETUXPUTEC-UHFFFAOYSA-N 341.371 2.048 30 40 EEEB N#CCSc1ccccc1/C(O)=N/S(=O)(=O)c1cccnc1 48532049 HHOQLKVAWYYIHQ-UHFFFAOYSA-N 333.394 2.391 30 40 EEEB Cc1nc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1C#N 91757591 XAZAEEQDEKERBS-SUMWQHHRSA-N 343.333 2.488 30 40 EEEB C=C(Br)CNC(=O)N1CCN(c2ccccc2C#N)CC1 69658595 JTLODKYJKPQVDT-UHFFFAOYSA-N 349.232 2.298 30 40 EEEB C=C(C)CN(CC)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 65577182 INYOCBUTTDDVOC-UHFFFAOYSA-N 340.420 2.305 30 40 EEEB O=[N+]([O-])c1cc(/C=N/NC(=S)NCc2ccccc2)ccc1O 19795460 PRURLXKXLIJMBE-LICLKQGHSA-N 330.369 2.299 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 83923617 KKUQEBFMGQWSFV-CQSZACIVSA-N 340.383 2.075 30 40 EEEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(O)c2)cc1 84187916 BEQIWFPJSXVIHA-UHFFFAOYSA-N 346.408 2.417 30 40 EEEB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 72282361 WPFIEKGYQKULRM-DGCLKSJQSA-N 339.848 2.069 30 40 EEEB N#Cc1c(F)cccc1NC1CCN(C(=O)c2cnccn2)CC1 72290794 DDSMMOOBICRUFL-UHFFFAOYSA-N 325.347 2.204 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C 72300204 MVGBNXVBMZUDHC-INIZCTEOSA-N 344.440 2.225 30 40 EEEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)NC1=S 408901035 BRNNSURRPGSMQQ-NTCAYCPXSA-N 337.404 2.290 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(C#N)CO)cc1 218044104 DXSQVZVQDKDNSR-KSZLIROESA-N 327.405 2.437 30 40 EEEB CS[C@@H](C)/C(O)=N/S(=O)(=O)c1cncc(Br)c1 78411395 GZOFJTWXEAKSAZ-LURJTMIESA-N 339.236 2.241 30 40 EEEB C=CCOc1ccccc1/C=C1/C(=O)N(C)C(=O)N(CCC)C1=O 575443037 PIYKTVJPHKIBJF-OWBHPGMISA-N 328.368 2.465 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1OC 169682458 AJOZUAJEQPCWCU-WKGOWHPVSA-N 340.379 2.235 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)c3cccc(Cl)n3)CC[C@H]2C1 1565551969 YAXPVHORAZYDSQ-DZGCQCFKSA-N 335.835 2.084 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1C[C@@H]1CCOC1 58277627 NXOXPWCSDDCSIZ-KBPBESRZSA-N 340.383 2.197 30 40 EEEB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCCNc1ncccc1C#N 58315036 DZIRRJCLZHYKGJ-NSHDSACASA-N 346.337 2.227 30 40 EEEB CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccccc1 4188107 UOUVJJDZDZIOPU-LFIBNONCSA-N 348.384 2.291 30 40 EEEB COc1ccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)cc1CO 13638952 QZCMFQDOAKZPSV-ZVBGSRNCSA-N 348.362 2.261 30 40 EEEB C=CCNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 5060253 IOEMYLHGBIZXNE-UHFFFAOYSA-N 328.393 2.165 30 40 EEEB COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(C#N)c2)c1 6315173 QLZCRXZZOPKZFW-UHFFFAOYSA-N 330.365 2.454 30 40 EEEB CN1CCCC[C@H]1CN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 69663490 JPLHUVBIAWLALU-SFHVURJKSA-N 341.459 2.192 30 40 EEEB CN(C)CCN(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 95406317 FDCMWEFRSXVIFI-UHFFFAOYSA-N 344.459 2.451 30 40 EEEB COc1ccc(-n2cc(CNC(=O)c3ccc(C#N)cc3)nn2)cc1 79070156 YNCWXFPFTZGPGE-UHFFFAOYSA-N 333.351 2.078 30 40 EEEB CS(=O)(=O)c1ccc2nc(/N=C(\O)CN3CCCC3)sc2c1 32117926 HQASSLAWHZUKCP-UHFFFAOYSA-N 339.442 2.384 30 40 EEEB C=CCNc1ccc(S(=O)(=O)NCCCCC)cc1C(=O)O 217648481 FNVWUPGYSIAGCC-UHFFFAOYSA-N 326.418 2.451 30 40 EEEB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2cccc(C#N)c2)C1 570991555 ZQVORYOCAIGYRI-CABCVRRESA-N 337.383 2.156 30 40 EEEB C#CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 252462057 PLKWEVUMSNPOQP-FIRLOTFOSA-N 328.432 2.079 30 40 EEEB biogenic N#Cc1c(Cl)nsc1NC[C@]1(N2CCOCC2)CCSC1 44975871 PVBFCRFWPKLUHV-CYBMUJFWSA-N 344.893 2.288 30 40 EEEB Cc1cc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)on1 52007705 FJXVAOSUSAURFH-RDJZCZTQSA-N 327.384 2.432 30 40 EEEB Cc1nc(N2CCN(c3ccc(C#N)cn3)CC2)cc(C(F)(F)F)n1 516145894 MAHPPKJYCBRTRN-UHFFFAOYSA-N 348.332 2.397 30 40 EEEB N#CCSc1ccccc1NC(=O)CNc1ccc(C(N)=O)cc1 46169976 MZTWXUWTCKJKNH-UHFFFAOYSA-N 340.408 2.452 30 40 EEEB CN1C(=O)C[C@@H](C(=O)O)S/C1=N\c1ccc(Br)cc1 4600444 FGBILWHAVYNQPG-GCOCVTSNSA-N 343.202 2.485 30 40 EEEB N#Cc1ccc(-c2nnc(CN3CCN(c4ccncc4)CC3)o2)cc1 89781016 RBGQCJIFOFVEAE-UHFFFAOYSA-N 346.394 2.325 30 40 EEEB Cc1ccc(NC(=O)[C@@H](C)O/N=C(/N)[C@@H](C)n2ccnc2)c(C)c1 72286194 DORMVWGJMNGPJQ-ZIAGYGMSSA-N 329.404 2.377 30 40 EEEB Cn1nccc1[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 78440869 LYJMHOOIWCBDMV-QFBILLFUSA-N 349.438 2.277 30 40 EEEB Cc1cn2nc(N[C@@H]3CCN(c4cccc(F)c4C#N)C3)ccc2n1 562422792 GXRNMZRMAFMGGO-CYBMUJFWSA-N 336.374 2.739 30 40 EEEB C#Cc1cccc(N(CC)C(=O)c2ccc(OC)c(-n3cnnn3)c2)c1 97237642 WUZAPSGLJNMFII-UHFFFAOYSA-N 347.378 2.319 30 40 EEEB C#CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 250664557 RJDQBUWPUXBBEM-OTIOQCEHSA-N 343.386 2.416 30 40 EEEB C#CCCCC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F 585087379 DNOPCSUCELUVBV-CYBMUJFWSA-N 338.329 2.426 30 40 EEEB C#CCCC1(CCC(=O)N2CCC[C@@H]2c2ncc(C(=O)O)cn2)N=N1 1616032910 XPFNHBGRJGUIDS-CYBMUJFWSA-N 341.371 2.194 30 40 EEEB COc1ccc([C@H]2c3c(C)n[nH]c3Oc3[nH]c(=O)c(C#N)c(N)c32)cc1 5640783 DEOCXJCKQDXNEA-ZDUSSCGKSA-N 349.350 2.155 30 40 EEEB O=C(O)COc1ccccc1/C=N\N1CCN(c2ccccc2)CC1 12376691 VIMBCXLYHLIYQE-ZHZULCJRSA-N 339.395 2.306 30 40 EEEB C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC[C@H](N=c2cc[nH]cc2C#N)C1 1059134584 PGIGWWAPHIEOSA-BBTUJRGHSA-N 346.434 2.366 30 40 EEEB Cc1nc(C)c(C#N)c(SCCNC(=O)OCC(F)(F)F)n1 71890080 SPHUNRRGJDWNCW-UHFFFAOYSA-N 334.323 2.346 30 40 EEEB COC(=O)c1ccc(-c2c(C#N)c(N)nc(SCC#N)c2C#N)cc1 21475722 HGHKFPUMMBICDI-UHFFFAOYSA-N 349.375 2.476 30 40 EEEB CSc1nccn1-c1cccc(C(=O)[C@H](C#N)C(=O)NC(C)C)c1 103504898 AHJWFTUTMGOWCX-AWEZNQCLSA-N 342.424 2.441 30 40 EEEB O=C(C[N+]12CCC(CC1)[C@@H](O)C2)c1ccc(Br)cc1 1808737 CWOPBJCTIKKORC-VXKCQOAXSA-N 325.226 2.233 30 40 EEEB CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)CC[C@H]1CCCO1 48677917 XDHHORUWDMEWBD-CQSZACIVSA-N 326.418 2.279 30 40 EEEB C#CCN(C(=O)c1ccc(CC)c(S(C)(=O)=O)c1)c1nccs1 97032235 GLGBWQHEOYUDBT-UHFFFAOYSA-N 348.449 2.389 30 40 EEEB CC/N=C(/NCCSc1ccccc1)NCCc1nc(C)no1 95397547 XYROCHBIWPIPML-UHFFFAOYSA-N 333.461 2.268 30 40 EEEB CC[C@@H](C#N)S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 95439695 HPFLOAYYPWTBTB-KRWDZBQOSA-N 335.473 2.215 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)NCC[C@@H](O)c1ccccc1 95433288 JASHTCBKHQBOJO-MRXNPFEDSA-N 330.409 2.269 30 40 EEEB C#CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c1 112264489 JZQVAUKGOXZMMA-AYRSCHFASA-N 334.375 2.230 30 40 EEEB C[C@@H](CC#N)N(C)S(=O)(=O)N1CC=C(c2ccccc2F)CC1 225753708 NAYMDOLZSCRLRL-ZDUSSCGKSA-N 337.420 2.394 30 40 EEEB CC/N=C(\NCc1cccc(N(C)C)n1)NCc1sc(C)nc1C 195545741 GMXAYOGDLCFXHX-UHFFFAOYSA-N 346.504 2.476 30 40 EEEB Cc1cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c(C)o1 225482456 WYWWTCVXVIDNIZ-ZDUSSCGKSA-N 326.356 2.242 30 40 EEEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(O)cc1 44890055 SVWNVDCHKYYAJL-INIZCTEOSA-N 339.351 2.397 30 40 EEEB N#Cc1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2ncccn2)s1 583624075 HCFSRVAEVBZHIL-STQMWFEESA-N 331.420 2.112 30 40 EEEB CCN1OC2(CCN(C(=O)Nc3ccc(C#N)cc3)CC2)CC1=O 1549161753 KOSLYIMFNRYQHR-UHFFFAOYSA-N 328.372 2.109 30 40 EEEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 16138370 XBBRTNODKWPHBA-UHFFFAOYSA-N 346.408 2.168 30 40 EEEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 4934645 PLJXOKQYRWDMAL-MHWRWJLKSA-N 334.357 2.078 30 40 EEEB COc1ccc(OC)c(CN2CCN(C[C@@H](C#N)CCC#N)CC2)c1 32679741 WZMAGUWKJVINEB-MRXNPFEDSA-N 342.443 2.265 30 40 EEEB C=CC[C@@H]1N(c2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3 100315989 WSHQZPHRZYRCMK-TVEAVKIZSA-N 341.363 2.011 30 40 EEEB CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccc(C#N)cc1 52580853 YNEUWSMYRIQQJX-ROUUACIJSA-N 327.428 2.160 30 40 EEEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)c1cccc2c[nH]nc12 48506314 BDRAMZJJWLPPMU-UHFFFAOYSA-N 340.364 2.269 30 40 EEEB Cc1noc([C@H](C)N2CCN(CCOc3ccccc3C#N)CC2)n1 69630554 VADYFPNAFWCEKX-AWEZNQCLSA-N 341.415 2.007 30 40 EEEB N#CC1(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)CCCC1 6850621 IMGRMZSMBFGTCW-UHFFFAOYSA-N 336.351 2.095 30 40 EEEB C#CCNC(=O)CSc1nc(N)c2c3c(sc2n1)CCCCC3 8720487 HQQURZPLWJKYSK-UHFFFAOYSA-N 346.481 2.384 30 40 EEEB CC[C@H]1CN(/C(=N/C)NCc2nncn2C)CC[C@@H]1c1ccccc1 97021799 GCYUWWDRNLZBEW-RDJZCZTQSA-N 340.475 2.406 30 40 EEEB N#Cc1cc(NCCNC(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] 97379699 MFLDEVHYGVLMQO-UHFFFAOYSA-N 328.303 2.447 30 40 EEEB C#CCN1CCN(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)CC1 95446542 FPLGAJOVYWCORV-UHFFFAOYSA-N 335.411 2.235 30 40 EEEB CCOc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)cc1 95996119 ZDDNEJDAVLJIJN-UHFFFAOYSA-N 336.413 2.229 30 40 EEEB N#Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)c(F)c1 409209609 CUZFXRUDWWNSMK-UHFFFAOYSA-N 326.327 2.213 30 40 EEEB CC(C)NC(=O)N1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 96238917 IMCUFKNOWBGDIX-SFHVURJKSA-N 326.400 2.105 30 40 EEEB CO/C=C(/C)C(=O)N[C@@H](S)Nc1cc(Cl)ccc1C(=O)O 4289726 JTLQGCYAWVABAQ-FWWRYZNZSA-N 330.793 2.330 30 40 EEEB N#Cc1cccc(C(=O)NCc2nc(-c3cc(C4CC4)on3)no2)c1 238870493 MTYZAUXVEDZWSK-UHFFFAOYSA-N 335.323 2.404 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2c(C)cc(C)cc2C)c1 31805483 ROFKEBCSNGXUIB-UHFFFAOYSA-N 338.363 2.315 30 40 EEEB C[C@@H](Sc1ncnc2c1cnn2C)C(=O)NC1(C#N)CCCCC1 11681696 ATJBURQSWJHCOX-LLVKDONJSA-N 344.444 2.187 30 40 EEEB Cn1c([C@H](C#N)C(=O)c2cccc3c2OCC(=O)N3)nc2ccccc21 103796101 GOPRDVWBWMOQHP-GFCCVEGCSA-N 346.346 2.394 30 40 EEEB COc1ccc(N/C(O)=N/[C@@H](CCSC)C(=O)O)cc1OC 82048288 VQLDLIUHUJQBLW-JTQLQIEISA-N 328.390 2.236 30 40 EEEB Cc1nn2c(=N)c(C#N)n[nH]c2c1-c1ccc(Br)cc1 101427648 RRINBDYXLIVRCJ-UHFFFAOYSA-N 329.161 2.146 30 40 EEEB CC/N=C1\S[C@H](C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC 18067089 DNVGZJFGVOJQAF-WPCFGXOUSA-N 335.429 2.364 30 40 EEEB CCOC(=O)c1ccc(-n2c(N)c(C#N)c3ncccc3c2=O)cc1 4108955 ZAWOWQYTBQJDQN-UHFFFAOYSA-N 334.335 2.016 30 40 EEEB CCCCc1nc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)no1 69951467 ZQDHQWGJRJPGPU-UHFFFAOYSA-N 334.401 2.250 30 40 EEEB Cc1cc(N2CCC(C(N)=O)CC2)n2c(nc3ccccc32)c1C#N 5570692 PRCIBVKBQRRTQW-UHFFFAOYSA-N 333.395 2.369 30 40 EEEB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)NC1(C#N)CCCCC1 6609993 HBMRRRLDWGAXHF-LBPRGKRZSA-N 344.367 2.303 30 40 EEEB C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 4785176 FVMHLIJHRGDVGZ-LLVKDONJSA-N 335.341 2.173 30 40 EEEB N#CCCCOc1cccc(CNC[C@@H]2CCc3nncn3C2)c1 75605575 JZDYIYJVRMIHLN-INIZCTEOSA-N 325.416 2.313 30 40 EEEB COC1(CNS(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc2C1 225721800 CVGVWFLNUCWCBN-UHFFFAOYSA-N 342.420 2.021 30 40 EEEB C=CCn1c2c(ccc1=O)C[C@@H](NCc1ccc3c(c1)OCO3)CC2 96189698 NHLHGZDBRCHXAU-INIZCTEOSA-N 338.407 2.410 30 40 EEEB C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)CNc1ccc(C#N)cc1 585141100 PMFSMGHWQPJIFI-FZKQIMNGSA-N 326.400 2.183 30 40 EEEB Cc1cc(CNC(=O)C#C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)no1 585140694 JCKCPVDFPRHIFE-AWEZNQCLSA-N 347.415 2.250 30 40 EEEB C=CCCC(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 575614781 HKKLGOAFEWBLKE-UHFFFAOYSA-N 349.456 2.145 30 40 EEEB COc1ccc(O)c(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)c1 501417 ZEKWAKMMSLTASH-AWQFTUOYSA-N 334.335 2.474 30 40 EEEB CN(C)C(=O)c1cccnc1S(=O)(=O)/N=C(\O)C1(C)CCCC1 69579525 BCVWJHNPEJHEAU-UHFFFAOYSA-N 339.417 2.009 30 40 EEEB Cc1ccc(-c2ccc(=O)n(CC(=O)N[C@](C)(C#N)C(C)C)n2)s1 58217381 LOVJMEOCUJDQST-QGZVFWFLSA-N 344.440 2.335 30 40 EEEB C/N=C(/S)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3330100 ZFEUUJJLPYBRMZ-UHFFFAOYSA-N 349.481 2.062 30 40 EEEB CCOC(=O)NCC/C(O)=N/S(=O)(=O)c1cc(C)ccc1C 48472316 JVSSOUGCTVSRAC-UHFFFAOYSA-N 328.390 2.085 30 40 EEEB O=c1oc2ccccc2n1CC/C(O)=N/S(=O)(=O)c1ccccc1 48405192 NLUVKSFNYIOGIU-UHFFFAOYSA-N 346.364 2.330 30 40 EEEB CCCc1cc(=O)[nH]c(N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)n1 3947100 IPHIBKPLWPIGFS-CXUHLZMHSA-N 331.332 2.085 30 40 EEEB COc1ccc(OC)c([C@@H](O)CNc2nnc(C)c(C)c2C#N)c1 65407628 CRWNJXJTZNQFGJ-HNNXBMFYSA-N 328.372 2.128 30 40 EEEB COc1ccc(OC)c(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)c1 5625913 HNKCHLYQIQWDOI-LZYBPNLTSA-N 344.400 2.165 30 40 EEEB N#Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCOCC2)cc1 26521366 SGBWMIMUOAJKSF-KRWDZBQOSA-N 338.415 2.081 30 40 EEEB Cc1ccnc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 97114328 AOWBWFIHVWFJLF-UHFFFAOYSA-N 342.302 2.476 30 40 EEEB C=CCN(C(=O)c1ccc(C#N)cn1)c1nc(C(=O)OCC)cs1 95393193 RRJKBKQQCKOQET-UHFFFAOYSA-N 342.380 2.419 30 40 EEEB CS(=O)(=O)CCC(=O)Nc1ccccc1C#Cc1ccccc1 76093584 FCCIFFZHSSHCOR-UHFFFAOYSA-N 327.405 2.460 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 96047678 QSNYGAQTCLOBFJ-HKUYNNGSSA-N 335.411 2.194 30 40 EEEB C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 619676937 AEKJZFILMVHOBG-HQJQHLMTSA-N 326.183 2.262 30 40 EEEB CCn1nnnc1/N=C(\O)c1cc(Br)ccc1OC 514866 TWHTYVZQAPPXIE-UHFFFAOYSA-N 326.154 2.100 30 40 EEEB C=CCNC(=O)[C@H]1C=CCN1S(=O)(=O)c1cccc2ccccc12 12146323 HUDFTMNNDUGKFE-MRXNPFEDSA-N 342.420 2.071 30 40 EEEB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 7146447 ZFLHDISKCSCHBH-UHFFFAOYSA-N 329.425 2.445 30 40 EEEB COc1ccc([C@H]2CC(=O)C=C(Nc3nonc3N)C2)cc1OC 102330998 GSKTXXVOLMLNMD-SNVBAGLBSA-N 330.344 2.112 30 40 EEEB O=C1C=C[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]1N2c1ccccc1 103857176 KCUXRZNMROURKA-OQIJWPOYSA-N 344.370 2.189 30 40 EEEB N#Cc1nc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)[nH]c1C#N 26269139 CROAOWQDDLPXCU-UHFFFAOYSA-N 333.351 2.243 30 40 EEEB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)COc1ccc(C#N)cc1 12616977 FKDOOFNXIJSGCS-OKILXGFUSA-N 330.384 2.270 30 40 EEEB C=CCc1ccccc1OC[C@@H](O)CN1C(=O)CC2(CCCC2)C1=O 24101874 GFEQCZUGHFQTBV-INIZCTEOSA-N 343.423 2.474 30 40 EEEB CC(C)NC(=O)Nc1cccc(C(=O)N(CCC#N)CCC#N)c1 58390952 VOXPOELKVOZNSA-UHFFFAOYSA-N 327.388 2.486 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)C(=O)NC(C)(C)C 48302416 ATENSNUKTLCCNE-LLVKDONJSA-N 342.399 2.283 30 40 EEEB COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O 409223375 FDSHGMOFFHNCQZ-GIJQJNRQSA-N 329.312 2.218 30 40 EEEB O=C(O)COc1ccccc1/C=N/NC(=S)NC1CCCCC1 5119868 FQTBEGSFQATRFH-LICLKQGHSA-N 335.429 2.281 30 40 EEEB O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] 4791673 CNUNJKAIWILZCZ-BPKVKKHESA-N 344.352 2.352 30 40 EEEB C[C@H](c1ccccc1)N(C)C(=O)CSc1ncc(C#N)c(N)n1 7047134 TVQGAYXRPUCNED-LLVKDONJSA-N 327.413 2.242 30 40 EEEB N#Cc1ccc(CNCc2ccc(N3CCC(CO)CC3)nc2)cc1 71825312 TVRSTZMRXATTQR-UHFFFAOYSA-N 336.439 2.452 30 40 EEEB CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 76019404 NEPAULLGPCUXTM-NSHDSACASA-N 344.383 2.234 30 40 EEEB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)C3(C#N)CCCC3)CCO2)n1 76046184 DIXHZNRPSDPCQK-GFCCVEGCSA-N 331.420 2.086 30 40 EEEB N#Cc1ccc2c(c1)CC/C(=C\c1cnc(N3CCOCC3)nc1)C2=O 78697131 YVVQONZPVONMRI-LICLKQGHSA-N 346.390 2.397 30 40 EEEB Cc1ncc(C(=O)N2CCO[C@H](C#N)C2)c(Cl)c1Br 89505455 HIBJWXCMZGORGE-MRVPVSSYSA-N 344.596 2.171 30 40 EEEB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccc(C#N)cc1)C2 96259130 XIVZJBCJVIZCQS-UHFFFAOYSA-N 349.438 2.434 30 40 EEEB N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 90607653 ZKHSTDSNROSJTO-UHFFFAOYSA-N 343.408 2.185 30 40 EEEB N#Cc1ccc(C2(NS(=O)(=O)CC[C@@H]3CCOC3)CCC2)cc1 594481259 IGNYYDVUPCYXSD-HNNXBMFYSA-N 334.441 2.283 30 40 EEEB CO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 70036896 CIIRITNUGKGEIS-SSDOTTSWSA-N 336.291 2.257 30 40 EEEB C/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CC(=O)N2 98054896 NAUXAFLFQDZEAH-YBFXNURJSA-N 343.408 2.421 30 40 EEEB N#Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12879335 AVIOXQOPWZOLTG-UHFFFAOYSA-N 335.407 2.320 30 40 EEEB C/N=C1\S/C(=C/c2ccc(I)o2)C(=O)N1C 13546688 SBQVANKQMFIJJP-RFALSVCPSA-N 348.165 2.416 30 40 EEEB N#Cc1cccc(C(=O)N2CCC[C@H](Oc3ncc(F)cn3)C2)c1 575604648 BTWDEKOKVPRPLA-HNNXBMFYSA-N 326.331 2.171 30 40 EEEB CC(C)n1ncc2c1NC(=O)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(F)c(F)c1 100254902 NVGXCEDMBWDLAC-OLZOCXBDSA-N 336.298 2.472 30 40 EEEB Cn1c(=O)c2ccccc2n2c(COc3ccccc3C#N)nnc12 12561605 KFTNNBCQWADLJA-UHFFFAOYSA-N 331.335 2.032 30 40 EEEB CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1 55295327 BIVIYANQQUPUQI-QGZVFWFLSA-N 343.452 2.009 30 40 EEEB N#CCCN(Cc1ccco1)C(=O)CN1CCC(c2cc[nH]n2)CC1 58265349 JBVYIUBHRRXXFL-UHFFFAOYSA-N 341.415 2.125 30 40 EEEB C#CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]c1=O 69350996 QAIZQEALDVMTAO-UHFFFAOYSA-N 345.358 2.143 30 40 EEEB N#Cc1cccnc1NC[C@@H]1CCN(Cc2ccc3c(c2)OC(=O)C3)C1 65502609 LBUNDFXMYJFWGT-HNNXBMFYSA-N 348.406 2.349 30 40 EEEB CCCc1noc([C@H](C)N2CCN(c3ccc(C#N)cn3)CC2)n1 71821769 IKKYVGGJXPUBFM-ZDUSSCGKSA-N 326.404 2.172 30 40 EEEB CC[C@H]1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@H]1N(C)C 89948404 DJMHFHVUNDFIPM-FUHWJXTLSA-N 345.491 2.145 30 40 EEEB N#CC1(C(=O)N2CCC(c3nnc4n3CCC4)CC2)CCCCC1 57432633 FCESUQFROGHGFR-UHFFFAOYSA-N 327.432 2.404 30 40 EEEB C=CCNC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714031 TYDLLVPZGJMREP-ZDUSSCGKSA-N 330.837 2.187 30 40 EEEB N#Cc1cccc(COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 11627797 PPUHMFWXKATDMC-HOTGVXAUSA-N 340.379 2.167 30 40 EEEB C[C@H]1CN(C(C)(C)CNC(=O)NCC#Cc2ccccc2)C[C@H](C)O1 32802844 VFSMSXQRIRSHGO-IRXDYDNUSA-N 343.471 2.225 30 40 EEEB CCN1CCC[C@H]1CNC(=O)CCCOc1ccc(C#N)cc1OC 32930886 VCRRRQRWAJPWHF-INIZCTEOSA-N 345.443 2.326 30 40 EEEB N#C[C@@H](C(=O)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 103719117 MAXUDRUFSKYLDO-LBPRGKRZSA-N 340.310 2.444 30 40 EEEB C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(C)=O)nnc12 3445687 BFGKKPAVVGQRQX-LLVKDONJSA-N 328.397 2.300 30 40 EEEB O=[N+]([O-])c1cc2c(cc1/C=N\Nc1ncccc1[N+](=O)[O-])OCO2 409068953 SXDAJWTWBUQMAM-UUASQNMZSA-N 331.244 2.073 30 40 EEEB N#Cc1c(CN2CCC(CN3CCOCC3)CC2)cn2ccccc12 69453063 ZYDBMGKWXVHLIW-UHFFFAOYSA-N 338.455 2.355 30 40 EEEB Cc1noc([C@H](C)N2CCN(Cc3cc(C#N)ccc3F)CC2)n1 69458915 JFVFDHSBHJQUOY-LBPRGKRZSA-N 329.379 2.268 30 40 EEEB C=CCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)NC)cc1OC 65476601 JUYBOVABEQTAFR-CQSZACIVSA-N 334.416 2.151 30 40 EEEB N#Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 14084108 XJKXOWXAKCEXNR-VMPITWQZSA-N 334.379 2.442 30 40 EEEB CN(C[C@@H](C#N)CCC#N)C[C@@H](c1cccs1)N1CCOCC1 72253937 DDCYNTQHYBOVMI-CVEARBPZSA-N 332.473 2.497 30 40 EEEB CN(c1ncccc1C#N)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 72276355 XYZCQBDMAZVPDJ-OAHLLOKOSA-N 338.415 2.314 30 40 EEEB CCN1CCC(N(C)C(=O)CCC(=O)NC2(C#N)CCCCC2)CC1 73225272 ZJIPOTDALFMKJS-UHFFFAOYSA-N 348.491 2.052 30 40 EEEB N#Cc1cccnc1NC[C@H]1CCN(CC(=O)NCc2ccccc2)C1 65512097 NJNNXTYDPFNQML-QGZVFWFLSA-N 349.438 2.003 30 40 EEEB CC(C)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccn1 96437078 KHBSTWMCBHCZSN-SFHVURJKSA-N 336.395 2.197 30 40 EEEB CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccsc1 96097461 OIWBNUOPOKSVJJ-AWEZNQCLSA-N 329.381 2.062 30 40 EEEB CC(C)(CO)CCCNS(=O)(=O)c1ccc(C#N)cc1Cl 97053982 KFXUPBIWGRLIMX-UHFFFAOYSA-N 330.837 2.289 30 40 EEEB Cc1nc(C(F)F)cc(N2CCN(c3ccc(C#N)cn3)CC2)n1 1888842780 AEYQKQKDLLCUBC-UHFFFAOYSA-N 330.342 2.316 30 40 EEEB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 11371607 UAPWMAFWAXKUHY-ZUZCIYMTSA-N 338.433 2.093 30 40 EEEB CC1(C)CC(=O)C(=NNc2cc3c(cc2[N+](=O)[O-])OCCO3)C(=O)C1 4738408 KHSHMLBXSUKIGM-UHFFFAOYSA-N 347.327 2.092 30 40 EEEB CN(C)c1cc(C(=O)[C@@H](C#N)C(=O)c2nccn2C)c2ccccc2n1 102294586 MYXSMPDDWISKFP-CQSZACIVSA-N 347.378 2.240 30 40 EEEB N#CCN(CC#N)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 58203414 CITFCNFTHILZLK-UHFFFAOYSA-N 330.347 2.030 30 40 EEEB Cc1c(C(=O)Nc2ccc(F)cc2)cnc2nc(SCC#N)nn12 6759648 QDIHWSYSZLJBGF-UHFFFAOYSA-N 342.359 2.440 30 40 EEEB CC[C@H](C#N)S(=O)(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncccn1 95439678 LKONXBIIFJRICU-CABCVRRESA-N 348.403 2.269 30 40 EEEB O=C(C#Cc1ccccc1)NC1CCN(Cc2cscn2)CC1 95406169 TYIYPWLCYARFHR-UHFFFAOYSA-N 325.437 2.275 30 40 EEEB C=C(Br)CNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 95960949 NZLYRIKFEHZOJJ-JTQLQIEISA-N 333.226 2.268 30 40 EEEB CC(C)N1C(=O)C[C@@H](C(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 95989141 KXSOESDXKXQMIA-ABAIWWIYSA-N 337.782 2.417 30 40 EEEB N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 306130711 JNMYPJJPKDCQSW-RBUKOAKNSA-N 332.407 2.442 30 40 EEEB CS/C(N)=N\N=C\c1cc([N+](=O)[O-])cc(Br)c1O 20057510 YKDSRAQNJIPRJT-UUILKARUSA-N 333.167 2.075 30 40 EEEB C=C1CCN(c2cc(C#N)ccc2S(=O)(=O)N[C@H](C)CC#N)CC1 1615046550 JYVVMOANMDBPJL-CQSZACIVSA-N 344.440 2.295 30 40 EEEB COc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1OC 6626615 WTZBZANABCQUGK-UHFFFAOYSA-N 332.381 2.054 30 40 EEEB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCC#N)cc1 23692424 ZWQGANAXGQKKAV-UHFFFAOYSA-N 330.365 2.245 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)NCCc3ccsc3)CC2)c1 44914730 CRIWZCLXUGJJBY-UHFFFAOYSA-N 341.440 2.089 30 40 EEEB O=S(=O)(/N=C(\O)c1ccc2c(c1)CCO2)c1ccc(Cl)nc1 48489186 FQFMZJYCWSTQCH-UHFFFAOYSA-N 338.772 2.363 30 40 EEEB C/C(=N\O)c1cc([N+](=O)[O-])ccc1Sc1ncnc(N(C)C)c1N 17241930 CQXQBRJRJNEFIO-QGMBQPNBSA-N 348.388 2.382 30 40 EEEB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](C#N)CCC#N)C1=O 7206685 ORPDUOITNSXZQR-BFUOFWGJSA-N 336.395 2.386 30 40 EEEB N/C(=N\OC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccccc1 8878283 LBQAFOIGUNONBX-CYBMUJFWSA-N 343.408 2.216 30 40 EEEB C[C@H]1CN(C(=O)C(C)(C)c2cccc(C#N)c2)C[C@@H]1N1CCOCC1 76052916 YXLNFHYGNKACPW-YJBOKZPZSA-N 341.455 2.015 30 40 EEEB Cc1cc(NCCS(=O)(=O)NCc2ccccc2)c(C#N)c(C)n1 95972253 LVTPIZDPTPROAM-UHFFFAOYSA-N 344.440 2.102 30 40 EEEB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccc(C#N)cc1F 78986325 NEWDJSKMXLPWHO-UHFFFAOYSA-N 342.374 2.317 30 40 EEEB N#C[C@H](NC(=O)c1ccc(F)c(Br)c1)[C@@H]1CCOC1 79921613 HUEJRMVAVBUTIT-SKDRFNHKSA-N 327.153 2.247 30 40 EEEB CS[C@H]1C(C(=O)c2ccncc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716470 JMSLOQCVXDFLAG-KRWDZBQOSA-N 348.424 2.223 30 40 EEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C 408709570 UGVDDZWOUMDBET-HIFRSBDPSA-N 343.427 2.236 30 40 EEEB C/N=C(/NC[C@@H]1CCOC1)N(C)Cc1ccc(Br)cc1 195530272 XKRHIZBLGBFTKO-ZDUSSCGKSA-N 340.265 2.493 30 40 EEEB C=CCn1c(=S)sc2c(=O)n(CCOCC(F)F)cnc21 225438986 WKCOUFNLNQFZSN-UHFFFAOYSA-N 333.385 2.457 30 40 EEEB N#Cc1cccc(C(=O)N2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1 96161425 UKYBSGHZLYDXPA-GHTZIAJQSA-N 345.402 2.304 30 40 EEEB CN(/C(N)=N/C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C1CC1 252483953 FLHXNKINIYNSOY-INIZCTEOSA-N 336.867 2.122 30 40 EEEB C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)CNc1ccc(C#N)cc1 585141099 PMFSMGHWQPJIFI-ACJLOTCBSA-N 326.400 2.183 30 40 EEEB C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)N1CCCCC1 57226709 AYIIIKLPORNRFA-CQSZACIVSA-N 345.468 2.309 30 40 EEEB C=CCCCS(=O)(=O)Nc1ccc([S@](=O)(=NC)N(C)C)cc1 1615612827 BQZVAHFQNNNBGS-QFIPXVFZSA-N 345.490 2.328 30 40 EEEB C=CCn1c(N)c(C(=O)NCCCOC)c2nc3ccccc3nc21 2403925 ODTCOZDALUNXQE-UHFFFAOYSA-N 339.399 2.119 30 40 EEEB C[C@@H]1CN(C(=O)C2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 45803053 JEALSZXGQNKGHW-HZPDHXFCSA-N 341.455 2.406 30 40 EEEB C[C@H](CC#N)N1CCN(C(=O)c2ccc(Br)o2)CC1 53609290 MWQPMFSYTHOPTF-SNVBAGLBSA-N 326.194 2.102 30 40 EEEB COC(=O)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 1443351 QPDBPATWMFESGD-CYBMUJFWSA-N 343.360 2.401 30 40 EEEB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1ccc(C#N)cc1 71924624 KFEJHVHKFIEJOM-UONOGXRCSA-N 328.416 2.147 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1NCC1(c2ccccc2F)CC1 78292948 TWQATXQBEOMVMN-UHFFFAOYSA-N 345.399 2.488 30 40 EEEB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCCCCC#N)C1=O 71802068 GXQRRKLLAYRLPU-GOSISDBHSA-N 343.383 2.081 30 40 EEEB Cc1occc1/C(O)=N/S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 95467914 ZBKZKUMYAMUZSJ-UHFFFAOYSA-N 328.277 2.329 30 40 EEEB CS[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cc(C#N)ccc1F 95980838 QNGVRTIQRMZHHU-ZIAGYGMSSA-N 328.434 2.401 30 40 EEEB CC/N=C(/NCCOC1CCCCCC1)NCc1nnc2n1CCC2 95963111 BISCKVSLXIRPGJ-UHFFFAOYSA-N 348.495 2.019 30 40 EEEB O=C(C#Cc1ccccc1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 89313738 FOWQNJBNNKQYKH-LJQANCHMSA-N 332.403 2.203 30 40 EEEB Cc1nn(-c2ccc(F)cc2)cc1C/N=C(/N)N1CCSCC1 195529965 KFHVIVWITNDYEL-UHFFFAOYSA-N 333.436 2.183 30 40 EEEB CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 97103074 UDDKMPJQHCBVBM-LLVKDONJSA-N 347.362 2.095 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 65516869 WNDFLPGRYVQLKZ-SJLPKXTDSA-N 335.407 2.468 30 40 EEEB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCOc1ccc(C#N)cc1 71880469 UMHYPZMJWBMTOL-RTBURBONSA-N 327.428 2.412 30 40 EEEB CC(=O)Nc1ccnn1C1CCN(C(=O)C#Cc2ccccc2)CC1 11933645 BWTCOFZHRDYQNE-UHFFFAOYSA-N 336.395 2.057 30 40 EEEB CC(C)(C)NC(=O)CN1CCC(CNCc2cccc(C#N)c2)CC1 80373751 CIWCXQIHKQKOFR-UHFFFAOYSA-N 342.487 2.275 30 40 EEEB CCOC(=O)C1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 7386342 DZBOBVWYQFRUEW-CYBMUJFWSA-N 329.400 2.160 30 40 EEEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@@H]2CCC[C@@H]21 53382643 MTCLQIIESZXTSJ-DLBZAZTESA-N 330.432 2.126 30 40 EEEB N#CC1CCN(C(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)CC1 58364295 JBUHMZJCSBDTSZ-MRXNPFEDSA-N 332.448 2.255 30 40 EEEB CCN(CC)CC#C[C@@H](C)OC(=O)c1csc(-c2cnn(C)c2)n1 89967905 AINCRFKLCJMXPS-CYBMUJFWSA-N 346.456 2.434 30 40 EEEB CCOc1ccc2c(c1)C[C@@H](/C(O)=N/c1nc3ncccn3n1)CO2 71882715 MHTDFHSSTXOQDU-GFCCVEGCSA-N 339.355 2.362 30 40 EEEB N#C[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)C1CCCCC1 97095634 BHGOLRNHKDMELW-HNNXBMFYSA-N 335.354 2.283 30 40 EEEB COc1cc(Br)c(CN=C(N(C)C)N(C)C)cc1OC 95948361 FEYXAVBEAPHNTC-UHFFFAOYSA-N 344.253 2.446 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)C#N)cc1 218500990 XJJIRDXQLFLKQA-BBWFWOEESA-N 330.384 2.295 30 40 EEEB C=CCN1CC[C@]2(CN(C(=O)c3ccc(CC)nc3)C[C@H]2C)C1=O 1614933680 FRASVCWXCPSOPQ-AUUYWEPGSA-N 327.428 2.141 30 40 EEEB O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1 17124070 RDGPFOSDNDSNSJ-CXUHLZMHSA-N 326.341 2.419 30 40 EEEB COc1ccc(C)cc1-n1ccc(C(=O)N[C@@]2(C#N)CCSC2)n1 68541493 MQEVMQKTQLOMGG-QGZVFWFLSA-N 342.424 2.318 30 40 EEEB Cc1nc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)ccc1C#N 71858718 YBNBMOIEIJSOGL-UHFFFAOYSA-N 336.330 2.116 30 40 EEEB CC/N=C(/NC[C@@H]1CCCO1)NC[C@@H]1CCO[C@H]1c1ccccc1 95406377 RUAFYMVOKZLWSJ-BZSNNMDCSA-N 331.460 2.498 30 40 EEEB C[C@H]1CC(=O)C2=C(CC[C@@]3(O)[C@@H](O)c4c(O)cccc4C(=O)[C@H]23)C1 36378716 CRULJZWXPCYLAC-VWWZIODZSA-N 328.364 2.059 30 40 EEEB biogenic,in-vitro C[C@H]1c2ccccc2OCCN1Cc1cc(O)n2ncc(C#N)c2n1 1559623383 UBWDVGVARXKRDR-LBPRGKRZSA-N 335.367 2.262 30 40 EEEB O=S(=O)(NCC#CCN1CCCC1)c1ccc(C(F)(F)F)cc1 75164722 CRNTYTXLSUGCAP-UHFFFAOYSA-N 346.374 2.083 30 40 EEEB COc1ccc(CC(=O)NCC#CCN(C)Cc2ccccc2)cc1 75165135 XBWAWXBNIBFUNI-UHFFFAOYSA-N 336.435 2.489 30 40 EEEB CN(CC(=O)OC(C)(C)C)C1CCN(C(=O)C2(C#N)CCCC2)CC1 390835031 BBYFHYDVMBBCAP-UHFFFAOYSA-N 349.475 2.335 30 40 EEEB N#Cc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1 5458033 VBSLKRJECLXCCC-UHFFFAOYSA-N 327.731 2.024 30 40 EEEB Cc1n[nH]c(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1=O 15015597 DRYKADXABMCDGE-LZYBPNLTSA-N 340.299 2.088 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1OC 169682457 AJOZUAJEQPCWCU-UQYFJIGZSA-N 340.379 2.235 30 40 EEEB CCc1ncnc(N2CC[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]32)c1F 1889078099 NJQLCDUWXYJJPG-UKRRQHHQSA-N 338.390 2.160 30 40 EEEB CN1CCN(C(=O)COc2ccccc2C#N)[C@H](c2ccccc2)C1 30029169 FRZFIIIUPBJETF-SFHVURJKSA-N 335.407 2.452 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCc2c(C(N)=O)cccc21 40548654 RMLCIWQOOBCYLE-CYBMUJFWSA-N 349.390 2.404 30 40 EEEB C=CC[C@@H]1N(c2ccccc2OC)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237645 KPUKZZKOAUICJR-LAIHZFQQSA-N 341.363 2.011 30 40 EEEB C[C@@H](NC(=O)NCCCc1n[nH]c(N)c1C#N)c1ccc(F)c(F)c1 44909847 IQCAEABBBUIRQR-SECBINFHSA-N 348.357 2.135 30 40 EEEB Cc1nn(CCC(=O)Nc2cccc(Cl)c2)c(=O)c(C#N)c1C 12817981 KBHCGSZPFGZEEE-UHFFFAOYSA-N 330.775 2.414 30 40 EEEB Cc1nc(C2(NC(=O)CNc3ccc(C#N)cc3)CCCC2)no1 69414217 MRNAPGYHVOLJNO-UHFFFAOYSA-N 325.372 2.247 30 40 EEEB N#Cc1cccc(NC(=O)NCCNC(=O)Nc2cccc(C#N)c2)c1 65567619 DWWFSNKISPLDBP-UHFFFAOYSA-N 348.366 2.373 30 40 EEEB N#CCCN(C1CCOCC1)S(=O)(=O)c1cc(F)c(F)cc1F 69951792 PQABSLLLMYPBMV-UHFFFAOYSA-N 348.346 2.187 30 40 EEEB N#CCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 83537800 NRKPJXUUHHEWTJ-UHFFFAOYSA-N 329.303 2.254 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccncc4)C3)CC2=O)cc1 96238848 QIGHZESUGGXPAY-HXUWFJFHSA-N 346.390 2.222 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4cccnc4)C3)C2)n1 96047683 HCNZCQCOJCSWJV-HKUYNNGSSA-N 335.411 2.194 30 40 EEEB Cc1cc(F)cc(S(=O)(=O)/N=C(\O)c2c(C)nn(C)c2C)c1 96466290 MXTZRKOLIMOQTC-UHFFFAOYSA-N 325.365 2.178 30 40 EEEB COc1ccccc1OCC#CCNS(=O)(=O)C1CCCCC1 90610441 MOOCRDLJNCXYGX-UHFFFAOYSA-N 337.441 2.330 30 40 EEEB O=C(Nc1cccc(/C(O)=N/S(=O)(=O)c2cccnc2)c1)C1CC1 48532073 HRWDCVYEKNEPAZ-UHFFFAOYSA-N 345.380 2.124 30 40 EEEB O=c1[nH]ncc(N/N=C/c2cc(Br)ccc2O)c1Cl 18889064 HECADJIZTHVDJV-LNKIKWGQSA-N 343.568 2.337 30 40 EEEB C#CCNC(=O)C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1CC 5414264 FRJDHGHLMFTZRX-HOCLYGCPSA-N 330.403 2.454 30 40 EEEB biogenic,in-vitro N#Cc1cccc(N2CCN(c3nccc(-c4ccncc4)n3)CC2)n1 2086992636 PLOVAQVBYMSKIG-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB N#Cc1ccc(C(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 23127755 OHDWDTCFYVXWKI-LJQANCHMSA-N 335.407 2.362 30 40 EEEB Cc1cccc2c(=O)n(CC(=O)N(C)Cc3cccc(C#N)c3)cnc12 25103694 CEXDYDJLSSXBFP-UHFFFAOYSA-N 346.390 2.235 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)COc2ccccc2)c1 58188496 SOOOMTFNGIAGOU-UHFFFAOYSA-N 349.364 2.197 30 40 EEEB COc1ccccc1CCN(C)S(=O)(=O)c1ccccc1C#N 69420773 CCMBLASRHBLYIW-UHFFFAOYSA-N 330.409 2.430 30 40 EEEB CC(C)C[C@](C)(C#N)NC(=O)Cn1cccc(C(F)(F)F)c1=O 69484104 FWDWQYZZHPKSQV-CQSZACIVSA-N 329.322 2.312 30 40 EEEB CC/N=C1\S[C@H](CC(=O)NCCc2ccccc2)C(=O)N1CC 4699842 IETKDGWGRWGTIS-MGPWXQLLSA-N 333.457 2.075 30 40 EEEB Cc1cnc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 68532234 WMJXHCDODWFLQR-AWEZNQCLSA-N 339.374 2.195 30 40 EEEB Cc1cccc(C(=O)N[C@](C)(C#N)Cn2cc(Br)cn2)n1 72298007 RZWWPJAJEMQWMW-CQSZACIVSA-N 348.204 2.061 30 40 EEEB N#C[C@H]1CN(C(=O)CC[C@@H]2CCCO2)CCN1Cc1ccccc1 72284720 FVCNCTTTWICQEY-ROUUACIJSA-N 327.428 2.182 30 40 EEEB CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(F)c(C#N)c2)cc1 95984620 UUHUDOXDNVBKDF-LBPRGKRZSA-N 347.415 2.456 30 40 EEEB CCc1nn(C)c(CC)c1CN/C(=N/C)N[C@@H]1CCN(CC)[C@H](C)C1 95974607 IHVUJGYYZRBLRL-HUUCEWRRSA-N 348.539 2.083 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)CSc2cccc(C#N)c2)CC1 95984538 RQIRESDQPNYPSK-KRWDZBQOSA-N 342.468 2.343 30 40 EEEB C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)n1cncn1 79039244 MXOAAFBIWZDJKO-NSHDSACASA-N 337.305 2.302 30 40 EEEB COCCOC1CN(c2cc(Br)c(C#N)cc2F)C1 569018980 GGJBZSXMYDAPRI-UHFFFAOYSA-N 329.169 2.311 30 40 EEEB CCc1ccccc1CC(=O)NS(=O)(=O)Cc1cccc(C#N)c1 195575726 ZQRNOANIOYKROS-UHFFFAOYSA-N 342.420 2.309 30 40 EEEB N#Cc1ccc(N[C@@H](Cc2ccc(O)cc2)C(=O)O)c([N+](=O)[O-])c1 83328440 CSUSNCXDVUIPAQ-AWEZNQCLSA-N 327.296 2.280 30 40 EEEB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(c2cccc(F)c2C#N)C1 585782832 JWICLIIGYGBGCP-ABAIWWIYSA-N 338.346 2.101 30 40 EEEB C[C@H](NC(=O)OC(C)(C)C)/C(O)=N/S(=O)(=O)c1ccccc1 48406041 RMCBKASJGFVUQG-JTQLQIEISA-N 328.390 2.245 30 40 EEEB CN1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)c2cc(F)ccc21 77359939 LJYSGNAOWXCOKV-GOSISDBHSA-N 330.407 2.280 30 40 EEEB C/C(=N\NC(=S)NCC(F)(F)F)[C@H]1Cc2ccccc2C(=O)O1 98055568 DUJVKQTXNBLIQZ-YTTILGKYSA-N 345.346 2.170 30 40 EEEB C=CCN1C(=O)[C@@H](CCOC(C)=O)S/C1=N/c1nccs1 12438387 KZXQHJLAZVYAHM-NIZNLAEJSA-N 325.415 2.214 30 40 EEEB CC(C)(C)OC(=O)N[C@@H]1CC2(C=C(Cl)C(=O)C(Cl)=C2)OC1=O 1629844 CBYOCXODWUSVKK-SECBINFHSA-N 348.182 2.394 30 40 EEEB N#CCCn1cc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 4516903 KMTYINXGWIFLGJ-UHFFFAOYSA-N 328.347 2.075 30 40 EEEB C=CCNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 75110482 CMCWOYSDVMDMGV-VXGBXAGGSA-N 327.425 2.232 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@H](O)c3ccc(F)c(F)c3)CC2)c1 51877495 XZZQGWLRHGCUHT-KRWDZBQOSA-N 344.365 2.087 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2 102762176 SYLKYQVZVIIAOI-HNNXBMFYSA-N 336.395 2.128 30 40 EEEB C#CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 58148502 DKVKGMDVGMCJII-UHFFFAOYSA-N 331.379 2.364 30 40 EEEB N#Cc1ccc(NCC(=O)Nc2ccn(Cc3cccnc3)n2)cc1 58217604 XYTANCUWEHIFBG-UHFFFAOYSA-N 332.367 2.249 30 40 EEEB COc1cc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc(OC)c1 3474662 YLMQLCYJNQWNHF-UHFFFAOYSA-N 340.335 2.371 30 40 EEEB C=CCN(CC=C)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 69452383 BTCNXWVPYXUSDV-UHFFFAOYSA-N 337.305 2.495 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](N2CCCC2)C1 69420903 JYXVSKWVWZIVFT-WBVHZDCISA-N 327.428 2.412 30 40 EEEB C#Cc1cccc(NC(=O)CNC(=O)Cc2ccc(O)cc2Cl)c1 89261921 VPZUQAUCPGHVBH-UHFFFAOYSA-N 342.782 2.324 30 40 EEEB CC/N=C1/S/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1CC 408930251 UQZJZCAYTYJOBU-OJWGMWDRSA-N 335.429 2.428 30 40 EEEB C#CCCN1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 95403489 ZKUAYCFOIPREMZ-UHFFFAOYSA-N 349.434 2.442 30 40 EEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 95915225 LBDWQOGLKVUGDZ-QVDVFPETSA-N 338.454 2.088 30 40 EEEB N#Cc1ccc(-c2ccc(F)cc2)n(CC(=O)N2CCCC2)c1=O 5000833 CFUWJJNDJZORST-UHFFFAOYSA-N 325.343 2.148 30 40 EEEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)OCC)c(=O)c21 12113470 AVRLOYIQWLPVAH-UHFFFAOYSA-N 331.397 2.470 30 40 EEEB COc1ccc(-c2c(C#N)c(N)nc(OC)c2C#N)c(OC)c1OC 19152644 AVZRTEFMYWTQFP-UHFFFAOYSA-N 340.339 2.109 30 40 EEEB N#Cc1ncn(CC(=O)Nc2ccc(Br)cc2Cl)n1 13005126 YIOYEPDFEQAXPP-UHFFFAOYSA-N 340.568 2.204 30 40 EEEB N#Cc1cccc(C(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c1 575414699 WCRLAKZUCACGRZ-GFCCVEGCSA-N 349.316 2.204 30 40 EEEB Cc1nc2c(cnn2-c2ccccc2)c(=O)n1/N=C/c1cccnc1 2523151 ZSHRMKOQLGTCPH-RGVLZGJSSA-N 330.351 2.168 30 40 EEEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)ccc1O 12349120 KXQMUFZHQQNREE-HNNXBMFYSA-N 341.371 2.045 30 40 EEEB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/N=C(N)N 57460826 CNARAXMKXGALIF-CGOBSMCZSA-N 344.728 2.460 30 40 EEEB CCS[C@H]1C(C(=O)c2ccc(F)cc2)=C(CC(=O)O)C(=O)N1C 62716274 NNFHFIPXOGNGMX-INIZCTEOSA-N 337.372 2.331 30 40 EEEB COc1ccc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)cc1 12636992 OVAJNMDEFPYTIC-PXNMLYILSA-N 325.320 2.176 30 40 EEEB biogenic Cc1oc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)c(C#N)c1C 69893752 IGGVADLVQKIRFM-CQSZACIVSA-N 327.388 2.068 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccccc1F 18123433 MVHVLCYUYZPBIM-UHFFFAOYSA-N 341.386 2.294 30 40 EEEB COc1cccc([C@@H](C#N)NC(=O)c2cccn3ccnc23)c1OC 69740355 VKCUHDDVTIUSFD-CQSZACIVSA-N 336.351 2.346 30 40 EEEB CCOC(=O)c1cnn([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)c1 97051926 OFBLCGDZUAILOD-CQSZACIVSA-N 328.372 2.362 30 40 EEEB COCCC/N=C(/NCc1cccc(OC)c1)NCc1ccccn1 95405077 UOTDOEPOKQQZHW-UHFFFAOYSA-N 342.443 2.362 30 40 EEEB CC1(C)OC(=O)C(=NNc2ccc(Br)cc2)C(=O)O1 8829235 VUFGWXHBVMTEEL-UHFFFAOYSA-N 327.134 2.053 30 40 EEEB biogenic C=CCNC(=O)C1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCCCC1 96425103 VRULXKQIVBDPRF-UHFFFAOYSA-N 345.399 2.259 30 40 EEEB N#Cc1ccc(OS(=O)(=O)[C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 1615586699 XHHRUTVLXKRTPZ-VXGBXAGGSA-N 335.303 2.377 30 40 EEEB COc1ccc2c(c1)/C(=N\NC(=S)Nc1ccccc1)C(=O)N2 5393940 LJJHOVXRSRFDFF-UHFFFAOYSA-N 326.381 2.338 30 40 EEEB CCOc1cc([C@H]2NC(=O)C(O)=C2C(=O)c2ccco2)ccc1O 808113 OUWPJEXJEJSCSO-CQSZACIVSA-N 329.308 2.250 30 40 EEEB CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C\N2CCOCC2)C1=O 101902264 QFSPFAILXQCPAO-ACCUITESSA-N 341.363 2.206 30 40 EEEB C=CCn1cnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1C 53575528 MOAZWBKZKVIVDH-UHFFFAOYSA-N 334.449 2.226 30 40 EEEB C[C@@H](Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1)C(=O)O 59250200 IZWBNJIHJMSNQX-UWOUAGFBSA-N 330.300 2.288 30 40 EEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@@H](O)c2ccccc2)C1=O 24092192 OELYWZVAXZUVNA-APWZRJJASA-N 335.363 2.059 30 40 EEEB COc1ccccc1S(=O)(=O)NCCNc1cccc(F)c1C#N 69349374 OEFGTVNIYHOAHF-UHFFFAOYSA-N 349.387 2.096 30 40 EEEB N/C(=N/OCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(F)cc1 89827802 DCJSLCZUWDBOTE-UHFFFAOYSA-N 340.358 2.099 30 40 EEEB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 71841378 MBCRZUFOIYOMCH-MSOLQXFVSA-N 349.438 2.134 30 40 EEEB C=CCNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 72274809 NNCCHAYMEKIOQX-UHFFFAOYSA-N 333.701 2.387 30 40 EEEB CC[C@H](C#N)Oc1cccc(CNC(=O)c2cn3cccnc3n2)c1 72892962 LWFDHBHYOOUQCK-CQSZACIVSA-N 335.367 2.340 30 40 EEEB C[C@H](C(=O)Nc1nc2n(c1C#N)CCS2)c1ccc2c(c1)OCO2 574048150 QQEKRKQLDSWVTI-VIFPVBQESA-N 342.380 2.331 30 40 EEEB C=CCN(Cc1cc(OC)no1)S(=O)(=O)c1ccc(OC)cc1 585137263 PGYPGGJIWFYSJT-UHFFFAOYSA-N 338.385 2.069 30 40 EEEB C=CCNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955081 JBUZCTQPTWTYOD-UHFFFAOYSA-N 326.400 2.251 30 40 EEEB COc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)ccc1O 371651 HLLWVEIOTNYSEV-MRXNPFEDSA-N 343.335 2.478 30 40 EEEB N#CCCNS(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1 6585250 QDPQEZULWWQDSB-UHFFFAOYSA-N 349.456 2.331 30 40 EEEB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)/N=C1/NCCS1 46551729 MMSXLSHINYMHTG-UHFFFAOYSA-N 339.420 2.302 30 40 EEEB COc1cccc(CC(=O)OCC(=O)NC2(C#N)CCCCC2)c1 7682254 XSNYLYIZDBVUIM-UHFFFAOYSA-N 330.384 2.124 30 40 EEEB C=CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C 28271267 LLEIIKIRYXTGEG-HNNXBMFYSA-N 336.457 2.067 30 40 EEEB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc(C#N)c1 48364951 KCYCPDXWEPNEQJ-PVAVHDDUSA-N 341.411 2.303 30 40 EEEB COc1ccc(NC(=O)c2ccc(Cn3cnc(C#N)n3)cc2)cc1 14144410 XDFVNZMLBYYPJS-UHFFFAOYSA-N 333.351 2.459 30 40 EEEB C=C(Br)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 69592756 ORZRQSJIHRVRBM-AWEZNQCLSA-N 334.173 2.234 30 40 EEEB COc1ccc(-n2c(N)c(C#N)c3c(c2=O)CO[C@@H](C(C)C)C3)cc1 6760184 GXYMTXSHSMCWJR-QGZVFWFLSA-N 339.395 2.397 30 40 EEEB C[C@@H](OCC1CC1)/C(O)=N/S(=O)(=O)N1CCc2sccc2C1 69892405 MNHDTGYMZYKWNM-SNVBAGLBSA-N 344.458 2.123 30 40 EEEB CCCc1nnc(S)n1CC(=O)Nc1cc(C#N)ccc1OCC 71847407 RTIXEFFBZYKQIL-UHFFFAOYSA-N 345.428 2.428 30 40 EEEB CN([C@H](CCO)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 95433274 KHNQBSXYDUNLIR-QGZVFWFLSA-N 330.409 2.302 30 40 EEEB C[C@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 95406932 RNOSNRHWMZHNGN-JSGCOSHPSA-N 345.447 2.225 30 40 EEEB N#C[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 218154773 RXZOEDGZRDOTRR-XOKHGSTOSA-N 327.361 2.495 30 40 EEEB CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224834339 NMPCBKLTEGIKJI-UHFFFAOYSA-N 344.392 2.349 30 40 EEEB C=CCNC(=O)NC(=O)Cn1c(-c2ccccc2)c(CC)sc1=O 96424964 PJBTWRYBEJJMBZ-UHFFFAOYSA-N 345.424 2.151 30 40 EEEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 95915224 LBDWQOGLKVUGDZ-SAFUZZNQSA-N 338.454 2.088 30 40 EEEB C#C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 583651397 MMLYTIKMADFPEV-CHWSQXEVSA-N 332.350 2.190 30 40 EEEB Cc1c(C(=O)NC[C@@H](C)Oc2cccc(F)c2)cnn1CCC#N 585131064 KIOVGGZTHLEZLW-GFCCVEGCSA-N 330.363 2.442 30 40 EEEB CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(C#N)c3)ccc21 11372462 RHDZRUMJORSNEO-UHFFFAOYSA-N 341.392 2.133 30 40 EEEB COc1cc(-c2c(C#N)c(O)nc(OC)c2C#N)cc(OC)c1OC 17125979 LEJOXMOELOIPEB-UHFFFAOYSA-N 341.323 2.232 30 40 EEEB COc1ccc(/C(C)=N\Nc2nc(SCC#N)n[nH]2)c(OC)c1 6854973 IDJUFFVJVXWFCY-MFOYZWKCSA-N 332.389 2.274 30 40 EEEB O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 81557400 FCHXXVALZUJUHF-QGZVFWFLSA-N 333.391 2.310 30 40 EEEB COc1ccc(OCCN(C)S(=O)(=O)c2ccccc2C#N)cc1 8193422 PIBRHNIBMMLDQW-UHFFFAOYSA-N 346.408 2.266 30 40 EEEB N#C[C@@H](C(=O)c1cnn(-c2ccccc2Cl)c1)C(=O)N1CCCC1 103726808 QZOFPVLWMTUZPU-ZDUSSCGKSA-N 342.786 2.471 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)NC[C@@H](C)N1CCC(C)CC1 58191802 AHEZJEAYXSWURD-OAHLLOKOSA-N 345.443 2.182 30 40 EEEB C[C@@H](C1CC1)N(C)CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 110705399 KBGXCZZEGKPGQH-QFBILLFUSA-N 340.471 2.126 30 40 EEEB N#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1 69580918 ONIGUAOCSWYFEE-DZGCQCFKSA-N 331.803 2.279 30 40 EEEB COc1ccc(/C=N/[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 18167598 UGPNXGYAEZANPN-FDXHFJGXSA-N 330.340 2.117 30 40 EEEB CCN(C[C@H](C)C#N)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O 71799445 MPPANRMTSRFHIS-CYBMUJFWSA-N 343.387 2.295 30 40 EEEB Cc1cc(CN2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)on1 71872173 QWHDVNNAIUWZRF-UHFFFAOYSA-N 338.411 2.132 30 40 EEEB N#C[C@H](NC(=O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCOC1 79921486 CJEVRHGXEWHGFD-ZANVPECISA-N 329.183 2.417 30 40 EEEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3COc2ccccn2)c1 306131579 KJACLSGUQSEECD-KRWDZBQOSA-N 349.390 2.263 30 40 EEEB Cc1ccc(N2CC[C@@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nn1 96077443 SJEPTIPAJVBEOH-LJQANCHMSA-N 333.395 2.290 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4nccs4)C3)C2)n1 96047667 PYNPSNMPNJYAJW-WMLDXEAASA-N 341.440 2.255 30 40 EEEB C=CCN1CCO[C@@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]2C1 96249629 UHDKEIQRTQLZFL-CHWSQXEVSA-N 342.365 2.209 30 40 EEEB Cc1nc[nH]c1CN1C[C@H]2OC[C@@H](COc3cccc(C#N)c3)[C@H]2C1 96217193 FCSBVNJJKBUQER-SZVBFZGTSA-N 338.411 2.116 30 40 EEEB C=CCNc1nnc(S[C@@H]2CCN(CC(F)(F)F)C2=O)s1 71910945 ABXLLKOSZCMFBT-SSDOTTSWSA-N 338.380 2.391 30 40 EEEB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 5450114 BKUVSYMNSILIGS-IBGZPJMESA-N 349.346 2.254 30 40 EEEB CSc1ncc(C#N)c(N2CCC[C@H](COc3ncccn3)C2)n1 1889102673 JZQZVXTVPNOFRL-LBPRGKRZSA-N 342.428 2.156 30 40 EEEB C=CCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 8091328 YKXOPYMAWRXCDU-UHFFFAOYSA-N 330.409 2.428 30 40 EEEB COc1cc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1O 9262310 SWAXOTMWKYOUMO-ZBEGNZNMSA-N 334.335 2.432 30 40 EEEB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2oc(C)c(C)c2C#N)c1 70039589 XGJLIMOAIDAJRH-HNNXBMFYSA-N 341.415 2.376 30 40 EEEB CN(C)[C@@H](CNC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 25605724 PGVZSFKHIKEBNK-ICSRJNTNSA-N 339.439 2.190 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2cc(C)ccc2C)c(=O)c1C#N 408599733 JUJQXYGEHAVLPU-UHFFFAOYSA-N 339.395 2.430 30 40 EEEB N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccc(F)cc2)c1=O 5152746 OXMZBDAITGAILR-UHFFFAOYSA-N 332.294 2.009 30 40 EEEB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCC#N 65606694 AZNUOEUDMDQJHN-KBMXLJTQSA-N 325.412 2.410 30 40 EEEB C[C@@H]1CCCC[C@@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O 8940360 ZYSHWUIFQWQGSC-FZKQIMNGSA-N 327.384 2.438 30 40 EEEB C#CCN(c1nccs1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96007280 VAJQSCHMJDXXJR-UHFFFAOYSA-N 347.343 2.385 30 40 EEEB C#Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1 84541636 CSHBVWVJZLNGTP-UHFFFAOYSA-N 346.408 2.096 30 40 EEEB COc1ccccc1[C@@H](C#N)NC(=O)Cn1cc(-c2ccccc2)nn1 89473449 DONKMDYIYDYNNA-MRXNPFEDSA-N 347.378 2.335 30 40 EEEB O=S(=O)(/N=C(\O)c1scnc1Cl)N1CCc2ccccc21 78556626 AGXHQYUWVIVKGS-UHFFFAOYSA-N 343.817 2.409 30 40 EEEB N#Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)c(F)c1 195545865 JDASMNASNYZSKT-QGZVFWFLSA-N 326.371 2.495 30 40 EEEB N#Cc1cccnc1NCCOC(=O)c1ccc(-n2cccn2)cc1 72280764 GTHNUKXQGWPMNI-UHFFFAOYSA-N 333.351 2.408 30 40 EEEB Oc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)c(O)c1O 3044871 IOLKNIWFDVCXQV-LZYBPNLTSA-N 328.353 2.233 30 40 EEEB Cn1cc([C@@H]2CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)cn1 162170180 ZHIFIHSGIGVBLN-INIZCTEOSA-N 348.403 2.098 30 40 EEEB N#Cc1nccnc1N1CC[C@@H](Oc2ccncc2Br)C1 1776009233 XYXIBFIYXFJRCX-SNVBAGLBSA-N 346.188 2.163 30 40 EEEB Cc1cccc(-n2nnnc2SCC(=O)N[C@](C)(C#N)C(C)C)c1 2651059 ORLQJSLAEPIMNN-MRXNPFEDSA-N 344.444 2.117 30 40 EEEB CS[C@H]1C(C(=O)C(F)(F)F)=C(CC(=O)O)C(=O)N1CC(C)C 62716460 MSPSQTCTVRCFMQ-LBPRGKRZSA-N 339.335 2.076 30 40 EEEB Fc1ccccc1/C=N/n1c(S)nnc1-c1n[nH]c2c1CCC2 5626308 QWGHPUXPLFMXDV-CAOOACKPSA-N 328.376 2.467 30 40 EEEB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@H](C#N)CCC#N)C1=O 7206680 ORPDUOITNSXZQR-DJJJIMSYSA-N 336.395 2.386 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(N(C)C)cc2)C1=O 9111446 KYMWNKDHIXYIBT-CCEZHUSRSA-N 342.399 2.093 30 40 EEEB CC[C@H](C)Oc1cc(C)ccc1CN/C(=N/C)NCc1ncnn1C 95975812 JQHKABATVUGREV-AWEZNQCLSA-N 344.463 2.166 30 40 EEEB C[C@H](NC[C@H]1CCCn2ccnc21)C(=O)NC1(C#N)CCCCC1 89448601 FRFPIHRDEQHXIL-LSDHHAIUSA-N 329.448 2.081 30 40 EEEB COc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1O 409351972 XMDXRJBFPWVODG-UHFFFAOYSA-N 345.742 2.352 30 40 EEEB CC[C@H]1C[C@H](CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)CCO1 560671363 QGEYARVEGYWWAA-OCCSQVGLSA-N 327.384 2.439 30 40 EEEB N#Cc1ccc(S(=O)(=O)CCN2CCc3ccccc3CC2)cc1 81513538 JNOHDEAPVDLWIG-UHFFFAOYSA-N 340.448 2.433 30 40 EEEB CCCc1nnsc1C(=O)NCC#CCN(C)Cc1ccccc1 75165154 LEEFBXFKECZQAL-UHFFFAOYSA-N 342.468 2.356 30 40 EEEB C/N=C(\NCc1cccn1C)N[C@@H](C)c1cc(OC)ccc1OC 97227514 VPDZZRUVBXHEOH-ZDUSSCGKSA-N 330.432 2.469 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](c2ccccc2)C1 95403132 JWVKQQAPSXHJMO-CQSZACIVSA-N 327.409 2.200 30 40 EEEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)c2cccc(-n3cnnn3)c2)s1 100871564 QVGXHDFLRSUFMS-ZDUSSCGKSA-N 337.364 2.238 30 40 EEEB CC(C)CNC(=O)CN1CCN(c2cccc(Cl)c2C#N)CC1 57364780 GBSDRXXZIOPOIS-UHFFFAOYSA-N 334.851 2.106 30 40 EEEB CCCNC(=O)CN1CCC(Nc2ncc(C#N)cc2Cl)CC1 58356709 MAUQCCNFHBJZFQ-UHFFFAOYSA-N 335.839 2.009 30 40 EEEB Cc1c(CNC[C@@H](c2cccs2)N2CCOCC2)cc(C#N)n1C 72276792 TVOWPOUWRBBSEG-KRWDZBQOSA-N 344.484 2.430 30 40 EEEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn2ccnc2c1 95431006 NLGBIPSDPDXEJA-UHFFFAOYSA-N 347.422 2.410 30 40 EEEB O=C(NCC#CCN1CCCC1)c1ccc(OC(F)(F)F)cc1 75164657 KRXYNUYYFQTDCC-UHFFFAOYSA-N 326.318 2.414 30 40 EEEB CO[C@](C)(/C(O)=N/S(=O)(=O)C[C@H]1CCCCO1)c1ccccc1 78611979 UCMGLQNRBCPZGL-ZBFHGGJFSA-N 341.429 2.404 30 40 EEEB N#Cc1cnc(N[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2)cn1 583624121 XEAIMTPIVDZFSX-YJBOKZPZSA-N 332.367 2.476 30 40 EEEB Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccsc1C#N 585090470 QKWNPXVUSUTJEL-MRVPVSSYSA-N 325.415 2.134 30 40 EEEB COc1cc(/C=N/n2c(C)nnc2S)cc(Br)c1O 5410244 PAOPDNFMPUUMHE-WLRTZDKTSA-N 343.206 2.234 30 40 EEEB CSc1ncc(C)c(N2CCN(c3ccc(C#N)nc3)CC2)n1 1888860530 VMPSGCFPGNNOEK-UHFFFAOYSA-N 326.429 2.100 30 40 EEEB N#Cc1ccncc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1 1889096217 HLFAGHKQIRZCNB-UHFFFAOYSA-N 334.370 2.427 30 40 EEEB N#Cc1ncccc1N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776008475 HLUMMFNFGUCFOW-UHFFFAOYSA-N 347.300 2.220 30 40 EEEB CN(C)C(=O)[C@H]1CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 79016525 HWWFRPULFAKTJG-OAHLLOKOSA-N 339.355 2.072 30 40 EEEB CC1=CC(=NOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C=C(C)C1=O 3471670 FFVZRZCTRMKMSZ-UHFFFAOYSA-N 345.267 2.491 30 40 EEEB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n(CCC#N)n1 58223241 BLMVFWDAFQQRDG-CQSZACIVSA-N 337.383 2.097 30 40 EEEB CN(C)[C@H]1CCOC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 108536327 IWPBRZCNRJRZAI-KRWDZBQOSA-N 327.428 2.274 30 40 EEEB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)cn1 71841373 WGGQKTNJCNHYML-OALUTQOASA-N 349.438 2.134 30 40 EEEB Cc1nc2ccccc2n1CCNS(=O)(=O)c1cccc(C#N)c1 7674678 HAVAGAMNXRAWNA-UHFFFAOYSA-N 340.408 2.195 30 40 EEEB Cc1cc(F)c(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1F 95417498 MCAZFGDPFCSHKC-UHFFFAOYSA-N 326.328 2.184 30 40 EEEB NC(=O)Cn1cc(/C=N\c2ccc(O)c(C(=O)O)c2)c2ccccc21 409385178 JUDSVSWWCGUIED-ZBKNUEDVSA-N 337.335 2.281 30 40 EEEB O=C(NCC#Cc1ccccc1)N1CC[C@@H](c2nc(C3CC3)no2)C1 551844056 WXNKUZNCHKQZDH-MRXNPFEDSA-N 336.395 2.498 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 96422141 FKOYWPBDZWXCPY-OUAUKWLOSA-N 326.274 2.144 30 40 EEEB N#Cc1cccc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1 96500976 PYJXEHDUOROMQH-HXUWFJFHSA-N 349.434 2.445 30 40 EEEB C[C@@H]1C[C@@H](C/N=C(/N)N2CCSCC2)CN1Cc1ccccc1 97229336 UUAVSIHVTCICLE-WBVHZDCISA-N 332.517 2.261 30 40 EEEB N#Cc1ccsc1NC(=O)CN1CCN(Cc2ccccc2)CC1 20522577 RHZOFYRJLUIHPK-UHFFFAOYSA-N 340.452 2.376 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 104055819 TXPHNNMDLCPVCC-IUODEOHRSA-N 334.335 2.068 30 40 EEEB C=C(C)CN(CC)C(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O 63474650 BZDYUVNEGJAHDE-UHFFFAOYSA-N 340.427 2.498 30 40 EEEB C[C@H]1CCc2ccccc2N1C(=O)CSc1ncc(C#N)c(N)n1 9338766 FUQZRJNSRUAPCA-NSHDSACASA-N 339.424 2.390 30 40 EEEB CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 97047126 WXQVVUDAOPQVTG-AWEZNQCLSA-N 336.233 2.421 30 40 EEEB N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc2c(c1)CCC2 132985749 RKNLOPWTVFNTFH-UHFFFAOYSA-N 348.406 2.451 30 40 EEEB Cc1cnn(C[C@@H](C)NCC(=O)Nc2sc3c(c2C#N)CCC3)c1 69493541 PWULHJHNDSFKOW-GFCCVEGCSA-N 343.456 2.230 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222351555 TTZLOJRHGLDNSU-RSHXJTIPSA-N 336.391 2.472 30 40 EEEB COc1ccccc1OCC#CCNC(=O)Cn1cnc2ccccc21 90610327 BLJKAUPNVAIFAR-UHFFFAOYSA-N 349.390 2.244 30 40 EEEB N#Cc1cc(N2CCOC[C@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] 167154990 VNWOKVTXYZVCOU-ZBFHGGJFSA-N 343.339 2.388 30 40 EEEB N#Cc1cccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)c1 32795767 SEGFGURCUKAMCZ-HNNXBMFYSA-N 326.331 2.436 30 40 EEEB N#CC1(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CCCCC1 71841491 JTMJNHXLBWGQCZ-CQSZACIVSA-N 331.391 2.060 30 40 EEEB CCO[C@@H]1C[C@@H](N/C(=N/C)NCc2noc(C)n2)C12CCCCC2 97014072 DLVZRNJMOFWTCD-ZIAGYGMSSA-N 335.452 2.171 30 40 EEEB CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCCCC1 24836347 KKYAFGGLLWQGOR-UHFFFAOYSA-N 349.456 2.283 30 40 EEEB C=CCNC(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1 35313350 QGHSSHHCVVSNTA-UHFFFAOYSA-N 331.376 2.050 30 40 EEEB C=CCc1ccc(OC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 33328765 KDUGLTZTMQVDGV-INMHGKMJSA-N 335.444 2.273 30 40 EEEB N#Cc1cc(F)ccc1NCC1CCN(S(=O)(=O)C(F)F)CC1 78254532 UTZKXXMXOZARSR-UHFFFAOYSA-N 347.362 2.374 30 40 EEEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1CCOc1ccccc1 46084748 MGOBTSJAPTUXFX-ICFOKQHNSA-N 327.296 2.199 30 40 EEEB C#CCOc1ccc(C(=O)N2C[C@H]3CCN(C(C)=O)CC[C@H]3C2)cc1 585085888 NVZRRQHHVQMVLK-HDICACEKSA-N 340.423 2.029 30 40 EEEB CCN(Cc1ccc(C(=O)N2CC[C@@](O)(CC#N)C2)cc1)C(C)C 585089852 OSUGZHGBGYKRQH-IBGZPJMESA-N 329.444 2.408 30 40 EEEB CC(C)S(=O)(=O)CC(=O)Nc1cc(C#N)ccc1Br 585125059 FPBIYPDYJASQOD-UHFFFAOYSA-N 345.218 2.082 30 40 EEEB 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([N+](=O)[O-])s1 169332208 KCZFLFYOLLDLKV-CPARMYGSSA-N 343.364 2.043 30 40 EEEB C=CCN1C(=S)N(c2ccc(C)c(C)c2)[C@H]2CS(=O)(=O)C[C@@H]21 1236217 RVMLRNABIGJCIT-GJZGRUSLSA-N 336.482 2.062 30 40 EEEB CC[C@H](C)c1ccccc1N1C[C@@H](/C(O)=N/S(C)(=O)=O)CC1=O 40129816 VBZIUKPCOKFUGD-RYUDHWBXSA-N 338.429 2.469 30 40 EEEB CCN1/C(=N\C(=O)CCC2CCCC2)S[C@H]2CS(=O)(=O)C[C@@H]21 101314938 XFBWWMYAILUIFX-SAFUZZNQSA-N 344.502 2.074 30 40 EEEB C=CCN1CC2=C(C1=O)[C@H](c1c(OC)ccc3ccccc13)NC(=O)N2 57531444 JPYILDZFZCPUMK-SFHVURJKSA-N 349.390 2.485 30 40 EEEB C[C@@H]1Oc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2NC1=O 8014377 RVGSPBZZAGZQNC-NSHDSACASA-N 337.335 2.295 30 40 EEEB Cc1ccn(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)c1C#N 97148278 UGIMHTYGALGKCM-UHFFFAOYSA-N 337.295 2.035 30 40 EEEB CCOC(=O)COc1ccccc1/C=N/Nc1ncccc1[N+](=O)[O-] 409066256 MPOOAOSHWUPZRJ-VCHYOVAHSA-N 344.327 2.378 30 40 EEEB C/N=C(/NC[C@H]1CCOC1)N(C)CCOc1ccc(Cl)cc1 195530275 TVKPLLBOQHHABB-CYBMUJFWSA-N 325.840 2.263 30 40 EEEB CC[C@@H]1CN(C(=O)CO/N=C2/CCCc3cc(OC)ccc32)CCO1 64948347 AZIZOJCWRJSKAE-MEUCICPISA-N 346.427 2.390 30 40 EEEB CCN(CC)c1ccc(/C=N/Nc2ncnc(N)c2[N+](=O)[O-])cc1 6205309 GKNWHURHEWTNDR-DJKKODMXSA-N 329.364 2.259 30 40 EEEB CC1CCN(c2ccc(C(=O)[C@H](C#N)C(=O)N3CCCC3)cn2)CC1 102208191 BBBDGDHYTGACTN-INIZCTEOSA-N 340.427 2.263 30 40 EEEB COc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)cc1OC 37133001 UOCQLJIYZAXGIU-UHFFFAOYSA-N 338.411 2.293 30 40 EEEB N#C[C@H](C(=O)c1cnn(-c2ccccc2Cl)c1)C(=O)N1CCCC1 103726803 QZOFPVLWMTUZPU-CYBMUJFWSA-N 342.786 2.471 30 40 EEEB CS(=O)(=O)c1nc2ccccc2n1CCOc1ccc(C#N)cc1 12540477 BEBIJJBAAOROHE-UHFFFAOYSA-N 341.392 2.390 30 40 EEEB CCO[C@H]1N(C)C(=O)C(C#N)=NN1c1cccc(C(F)(F)F)c1 1408836 ZUWZWYQBRHWAEK-ZDUSSCGKSA-N 326.278 2.183 30 40 EEEB CCOc1cc(/C=N\N=C(/S)NC)cc(Br)c1O 43777326 DBSNFLHKNJMGDN-NSIKDUERSA-N 332.223 2.393 30 40 EEEB CC(=O)NCC1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 58266991 JRMFABGMOXZJFK-UHFFFAOYSA-N 337.427 2.227 30 40 EEEB N#Cc1ccsc1NC(=O)CSc1nnnn1-c1ccccc1 3509739 MQMQPRNYMPYBPV-UHFFFAOYSA-N 342.409 2.326 30 40 EEEB N#CCOc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc(F)cc21 5451925 BWJNSTKRHZTBEY-SFHVURJKSA-N 340.310 2.141 30 40 EEEB COCCN/C(=N/Cc1cccs1)NCCOCC(F)(F)F 75583044 QBLRABGUCQTVDW-UHFFFAOYSA-N 339.383 2.009 30 40 EEEB Cc1nnc(CN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)n1C 95995500 LZFXFDXHRLYNOT-UHFFFAOYSA-N 335.415 2.028 30 40 EEEB Cc1cc(C(=O)Cn2cnc(C#N)c2C#N)c(C)n1-c1nccs1 97379926 JJRSIRGOKXKYQY-UHFFFAOYSA-N 336.380 2.373 30 40 EEEB C=CCN1C[C@@H]2CN(Cc3c(C)noc3C)CCC[C@]2(C(=O)O)C1 96185188 FUCSKVOMCGCDPO-YJBOKZPZSA-N 333.432 2.076 30 40 EEEB CC[C@H](C#N)S(=O)(=O)N(C)[C@H](c1ccc(F)cc1)c1ncccn1 108134331 LKONXBIIFJRICU-HUUCEWRRSA-N 348.403 2.269 30 40 EEEB CC(=O)C1=C(O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 6419527 OACSUKAIVHQATB-BRWVUGGUSA-N 333.340 2.439 30 40 EEEB Cc1cc(N(Cc2ccon2)S(=O)(=O)c2cccc(C#N)c2)no1 95400240 MYHWTPJKGWEVFT-UHFFFAOYSA-N 344.352 2.238 30 40 EEEB CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl 58290700 GGIWQNLJDHPREN-JTQLQIEISA-N 344.820 2.297 30 40 EEEB CCC[C@H](C)NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086591 IJMXPDWIUAZOCO-INIZCTEOSA-N 328.460 2.375 30 40 EEEB Cn1cc([C@@H]2CC(c3ccc(C#N)cc3)=NN2c2cnccn2)cn1 48250955 MNHFKRKXGFOLHM-KRWDZBQOSA-N 329.367 2.437 30 40 EEEB C=CCN(CC(F)(F)F)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 65611212 FQBFKMCLPAAAPX-UHFFFAOYSA-N 348.350 2.016 30 40 EEEB N#Cc1nc(N)n(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1C#N 95392636 QDVVPEKQIITMNS-UHFFFAOYSA-N 347.357 2.070 30 40 EEEB CN(CC(=O)OC1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 22957573 HKHLHNXRHWPPSC-UHFFFAOYSA-N 336.413 2.055 30 40 EEEB C=CCN1CCC2(CC1)C[C@H](NC(=O)COC)c1ccccc1O2 96242778 IRHDIVYFXBXYCJ-INIZCTEOSA-N 330.428 2.293 30 40 EEEB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O 2616399 FQUFZEWVUDEWDF-UHFFFAOYSA-N 342.399 2.388 30 40 EEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 5377231 UMTFUYSOVJKKDE-FJOSAAFMSA-N 338.454 2.006 30 40 EEEB CCOc1ncccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 66240425 VJTFTOQOYSPGMX-UHFFFAOYSA-N 348.366 2.372 30 40 EEEB N#Cc1cccc(/C=C/C(=O)OCCCn2nc3ccccn3c2=O)c1 71915076 CESOCEKABZTSJU-CMDGGOBGSA-N 348.362 2.014 30 40 EEEB CSc1ccsc1C(=O)NS(=O)(=O)c1cccc(C#N)c1 69844841 SQEYDZDEIBDUGC-UHFFFAOYSA-N 338.435 2.460 30 40 EEEB CC[C@@H](C#N)S(=O)(=O)N1CCc2cc(Br)ccc21 89941824 SMXUDKXNAODWRD-NSHDSACASA-N 329.219 2.444 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)Sc2ccccn2)CC1 84972553 DVVPMTNVLZSHNO-GJZGRUSLSA-N 332.473 2.255 30 40 EEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(F)(F)C(F)F)C1=O 69739628 HWHKGQBGRCXHGT-ZDUSSCGKSA-N 329.253 2.226 30 40 EEEB CCOc1cc(/C=N/NC(=N)c2ccccn2)cc([N+](=O)[O-])c1O 5610397 VIOUUMPKBKZBPK-GIJQJNRQSA-N 329.316 2.043 30 40 EEEB C=CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)s1 12438298 QNUBREWRAXVRMK-BENRWUELSA-N 336.847 2.208 30 40 EEEB N#CCSCC(=O)Nc1cccc(I)c1 40513011 IZCKYOGZDSJIKC-UHFFFAOYSA-N 332.166 2.486 30 40 EEEB Cc1cc2ccc(OC(=O)c3ccc(N=C(N)N)cc3)cc2oc1=O 6522254 CSSIVLWXGWMEOY-UHFFFAOYSA-N 337.335 2.226 30 40 EEEB in-vitro C=CCN(CC=C)C(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 4435369 KCRLAVYPQPYGJG-SFHVURJKSA-N 336.391 2.473 30 40 EEEB CC1(C)C[C@@]2(CCO1)/C(=N/c1ccccc1)N=C(S)N2CC(N)=O 18140415 FFPCTLSZIVPMCO-KRWDZBQOSA-N 346.456 2.131 30 40 EEEB CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(C)c2ncccc2C#N)C1 97085624 UICUBQQHRHZKST-ZFWWWQNUSA-N 328.416 2.201 30 40 EEEB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c(C)n1 84791194 GCJLEXFJOMZNRI-KRWDZBQOSA-N 337.379 2.166 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C#N)cc3)C2=O)cc1 408528144 SJIDXUBBNXSIFA-INIZCTEOSA-N 346.346 2.468 30 40 EEEB CCN1CCN(c2c(N)cc(C#N)n2Cc2cccc(F)c2)CC1 225869948 SKDCGBPDJOTMNQ-UHFFFAOYSA-N 327.407 2.271 30 40 EEEB CCc1nn(Cc2nc(-c3cccs3)no2)c(=O)c(C#N)c1CC 78610663 YAISHCVXLKKVRD-UHFFFAOYSA-N 341.396 2.400 30 40 EEEB COc1ccc(NC(=O)[C@@H](C)O/N=C(\N)c2ccccc2)cc1OC 15365497 SDTVNSWHCNGJLF-GFCCVEGCSA-N 343.383 2.368 30 40 EEEB O=C1Oc2ccccc2C(=O)/C1=C/NC(=S)NCc1ccccc1 16958323 GADXGLYVIIMLGT-KAMYIIQDSA-N 338.388 2.337 30 40 EEEB O=C1C=C2CN([C@H](C(=O)C3CC3)c3ccccc3F)CC[C@]2(O)S1 100394488 OHANBBNBMKFHBI-WMZOPIPTSA-N 347.411 2.440 30 40 EEEB in-vitro CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)C3(C#N)CCCC3)C[C@@H]12 1565555737 PCEYBZOMHHBJFJ-BXWFABGCSA-N 342.443 2.306 30 40 EEEB Cc1ccc(/C(N)=N\OCc2cccc(S(=O)(=O)N(C)C)c2)cc1 50514980 FHWLXBNXQUJKPP-UHFFFAOYSA-N 347.440 2.082 30 40 EEEB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1ccccc1C#N 7004272 CQNJJFGUVGHYNW-KBPBESRZSA-N 330.384 2.270 30 40 EEEB CC1CCN(c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCCC3)cn2)CC1 102208186 BBBDGDHYTGACTN-MRXNPFEDSA-N 340.427 2.263 30 40 EEEB Cc1ccc([C@H](CNc2nnc(C)c(C)c2C#N)N2CCOCC2)o1 43533754 XVGBBJVQXCDXEA-INIZCTEOSA-N 341.415 2.352 30 40 EEEB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 7436520 KQTUTKFAVZBPGR-DZGCQCFKSA-N 329.400 2.160 30 40 EEEB COc1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1 6831391 SWUUNSYTXIREKH-UHFFFAOYSA-N 331.397 2.195 30 40 EEEB N#Cc1ccccc1COC(=O)Cc1csc(N2CCCC2=O)n1 19476967 NKQKNORNAOWCGV-UHFFFAOYSA-N 341.392 2.427 30 40 EEEB Cn1nc(C2CC2)cc1N1CCN(C(=O)c2cccc(C#N)c2)CC1 225569921 QMYFFQGSCZSJGI-UHFFFAOYSA-N 335.411 2.132 30 40 EEEB N#Cc1cccc(CN2CCOC[C@]3(CCN(c4ncccn4)C3)C2)c1 96202307 XEZBSKPDPMDHAL-HXUWFJFHSA-N 349.438 2.077 30 40 EEEB N#Cc1ccccc1S(=O)(=O)N1CCCC[C@@H]1CCCC(=O)O 594673361 PDBXUDFRWWOFRB-CQSZACIVSA-N 336.413 2.356 30 40 EEEB C=C(Br)CNC(=O)Nc1cccc(Cn2cncn2)c1 49300818 AFPAUCHIFUFRGP-UHFFFAOYSA-N 336.193 2.357 30 40 EEEB COC(=O)c1cc(NCC(=O)N[C@@](C)(C#N)C(C)C)c(F)cc1F 40071592 FBPHKRDCXNYKKN-INIZCTEOSA-N 339.342 2.218 30 40 EEEB C[C@@H]([C@@H](C)NCC(=O)N(C)Cc1cc(C#N)ccc1F)n1cccn1 75133882 RALFOSCMPPBWSZ-KGLIPLIRSA-N 343.406 2.092 30 40 EEEB O=S(=O)(/N=C(\O)c1csc(-c2ccco2)n1)C1CCOCC1 58182918 FDMWNDMTLRZGIK-UHFFFAOYSA-N 342.398 2.217 30 40 EEEB N#Cc1cccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)c1 48608479 BTDWEPMCYGAAIG-UHFFFAOYSA-N 328.349 2.187 30 40 EEEB CCN(CC)CCC[C@H](C)NC(=O)CN(C)c1ccc(C#N)cn1 69438167 XERJKPLSRJLLCD-HNNXBMFYSA-N 331.464 2.016 30 40 EEEB CN(C/C(O)=N/[C@]1(C)CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 82111136 URQWGIRVPOCQLD-OAHLLOKOSA-N 344.864 2.306 30 40 EEEB N#Cc1ccc(OCCN2CCN(C(=O)c3ccccc3)CC2)cc1 14232063 ATXDEERIPJZYFK-UHFFFAOYSA-N 335.407 2.395 30 40 EEEB C#CCN1CCC(C(=O)NC[C@](C)(O)c2ccccc2Cl)CC1 97143398 WNRYUTOCHISMFM-SFHVURJKSA-N 334.847 2.009 30 40 EEEB N#CC1(NC(=O)CN2CCC[C@@H]2CC(=O)c2ccco2)CCCC1 84429343 BUMYWWZXPQGJHV-CQSZACIVSA-N 329.400 2.269 30 40 EEEB C#CCN1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1 95981890 NQCPHZYGCIBYNH-UHFFFAOYSA-N 325.416 2.400 30 40 EEEB CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(C#N)c1 40478710 UKDLPRDVILNXAH-UHFFFAOYSA-N 332.363 2.469 30 40 EEEB CC(C)c1n[nH]c(/N=C(\O)[C@H]2CN(Cc3ccccc3)CCO2)n1 96420751 QJDXDNJVGWDLAD-CQSZACIVSA-N 329.404 2.417 30 40 EEEB N#Cc1ccc(NC(=O)N2CCO[C@H](CCc3ccccc3)C2)nc1 585135359 DKEURVMQONMZAL-QGZVFWFLSA-N 336.395 2.819 30 40 EEEB C=CCNC(=S)NCCCn1nc(C)c(Br)c1C 13769765 ITMIMGLDARSWKV-UHFFFAOYSA-N 331.283 2.303 30 40 EEEB COc1ccc(/C=N/NC(=N)N/N=C/c2ccc(OC)cc2)cc1 1695642 DCTPWFFEWAUYCX-AYKLPDECSA-N 325.372 2.186 30 40 EEEB CC/C(C)=N/NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 5560676 IDGZSPGKCPKLEH-XNTDXEJSSA-N 328.463 2.009 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCCc1ccccn1 29162701 AZWJGYKUPLDVPW-CQSZACIVSA-N 347.378 2.460 30 40 EEEB CC(C)NC(=O)[C@@H](C#N)C(=O)c1ccn(-c2ccccc2Cl)n1 103732499 AHQKSEWBZUBPBK-NSHDSACASA-N 330.775 2.373 30 40 EEEB Cc1occc1C(=O)[C@H](C#N)C(=O)CNC(=O)OCc1ccccc1 103935242 UXTWHBJSIWWVAI-OAHLLOKOSA-N 340.335 2.406 30 40 EEEB COc1ccccc1N1C[C@H](C(=O)NCC#Cc2ccccc2)CC1=O 25583827 IDGUTBOABXNHGA-QGZVFWFLSA-N 348.402 2.216 30 40 EEEB CC(C)c1ccc2c(c1)/C(=N/N[C@]1(C)CCS(=O)(=O)C1)C(O)=N2 43961443 GVBCONWONXYBFB-MRXNPFEDSA-N 335.429 2.283 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCc4ccccc43)CC2)c1 44910165 OCFWCGWMMOIBEA-GOSISDBHSA-N 347.422 2.472 30 40 EEEB N#Cc1ccc(OC[C@@H]2CN3Cc4ccccc4C[C@@H]3C(=O)O2)cc1 48264133 QLTRAUNQGHLTGZ-RBUKOAKNSA-N 334.375 2.289 30 40 EEEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc[nH]2)cc1 69436986 YKDLLSIJRIOLOO-CQSZACIVSA-N 326.381 2.040 30 40 EEEB O=C1Nc2ccccc2/C1=N\Nc1nnc2c(n1)[nH]c1ccccc12 4459514 PJOKOALRIYKAKZ-UHFFFAOYSA-N 329.323 2.274 30 40 EEEB CCCN(C)S(=O)(=O)/N=C(\O)c1sccc1Br 89955539 QZTGROSAKWOHLB-UHFFFAOYSA-N 341.252 2.402 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N[C@@H]1CCCN(C2CCCCC2)C1 88959809 PCSKDFGSYZIIMN-OAHLLOKOSA-N 348.495 2.230 30 40 EEEB C/N=C(/NCc1nc(C2CC2)no1)N(C)C[C@@H](C)c1nccs1 195564470 LJTXHRFETABORP-SNVBAGLBSA-N 334.449 2.214 30 40 EEEB C=CCN1C(=O)CCC12CCC(NC(=O)c1ccncc1F)CC2 96228576 ROIZSQZURFHIHO-UHFFFAOYSA-N 331.391 2.440 30 40 EEEB C=CC[C@H](CC)NC(=O)NCc1cccc(NS(C)(=O)=O)c1 252487507 HXAZEIGKGRGRCX-ZDUSSCGKSA-N 325.434 2.212 30 40 EEEB Cc1nnc([C@H](C)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)s1 252523158 BZKOSIFAHWMOGN-BFCNOCSMSA-N 339.424 2.253 30 40 EEEB Cc1c(C#N)c(NC(=O)[C@@H](C)S(C)(=O)=O)n(-c2ccccc2)c1C 611467133 QPRKLIGAFZMDBT-CYBMUJFWSA-N 345.424 2.337 30 40 EEEB C=CCn1c(SCC(=O)OCC)nnc1-c1sc(N)nc1C 16755333 VOMACUAUWGBEHJ-UHFFFAOYSA-N 339.446 2.133 30 40 EEEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(OCC(=O)O)cc1 348724 ZPEZCJADZKYTAN-VXLYETTFSA-N 337.335 2.051 30 40 EEEB C=CCOc1ccccc1C(=O)NC1CCN(c2ncccn2)CC1 47118958 ADJXOEOUZCBFGS-UHFFFAOYSA-N 338.411 2.440 30 40 EEEB C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cn1cccn1 89900558 YQOMEQLWFGZSKK-CQSZACIVSA-N 326.400 2.365 30 40 EEEB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CCc1ccc(C#N)cc1 102746705 BOVOZMYZZLITSB-LAQRGFTBSA-N 326.396 2.195 30 40 EEEB N#Cc1ccc(/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)cc1 58151000 OWLYCWYSBBWQSX-UHFFFAOYSA-N 335.772 2.441 30 40 EEEB C=CC[C@@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 4028757 WSHQZPHRZYRCMK-XZLOLGPPSA-N 341.363 2.011 30 40 EEEB biogenic N#Cc1ccc(NCC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cc1 65587856 NQWBBFLOYVXQCO-MRXNPFEDSA-N 331.322 2.098 30 40 EEEB N#Cc1cccc(NC(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)c1 7158129 AOMJOUXXPIOCMQ-UHFFFAOYSA-N 326.312 2.123 30 40 EEEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218105765 NLAXDUJKZPBIPJ-RCCFBDPRSA-N 342.420 2.164 30 40 EEEB CCOc1ccccc1CN1CCN(c2cnc(C#N)cn2)[C@H](C)C1 225645300 HUCGSFXFALZQIE-OAHLLOKOSA-N 337.427 2.458 30 40 EEEB CNS(=O)(=O)c1cc(N/C(O)=N/Cc2cccs2)ccc1C 330032597 POLVDUKZTNWLOK-UHFFFAOYSA-N 339.442 2.491 30 40 EEEB C#CCSCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 97378172 LMSTZSNNAYXSEG-JYJNAYRXSA-N 344.484 2.097 30 40 EEEB N#C[C@]1(C(=O)O)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242495178 FXZHTSSYVPDVHL-INMHGKMJSA-N 327.361 2.221 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 89780988 ZLWDDFXXVQMUKC-SJORKVTESA-N 337.354 2.099 30 40 EEEB CCc1c(C)nc(C2CC2)nc1N1CCN(c2nccc(C#N)n2)CC1 1888859968 DGKTUZCVHFJRJK-UHFFFAOYSA-N 349.442 2.213 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccccc2O)CC1 40512532 XCPSJGTVSWOMPQ-UHFFFAOYSA-N 338.367 2.092 30 40 EEEB C[C@H]1CCc2sc3ncnc(N4CCN(CC#N)CC4)c3c2C1 19972626 OTVCQSFXPFRHQP-LBPRGKRZSA-N 327.457 2.462 30 40 EEEB C=CCn1nnc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 10010794 RADYTKJUUVGGDL-GQCTYLIASA-N 334.723 2.073 30 40 EEEB Cc1ccoc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 46623504 PGOQVTMCYQSKNM-UHFFFAOYSA-N 326.356 2.288 30 40 EEEB CNC(=O)[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2O1 24703841 MTTMWVLHPFHZCF-GOSISDBHSA-N 349.390 2.031 30 40 EEEB N#Cc1cccnc1NCCNC(=O)CNc1ccccc1Cl 58331429 NJOMSDVQOXXBGI-UHFFFAOYSA-N 329.791 2.247 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@H]2CCCO2)s1 69283262 MZDYCDVKQMHQOO-GHMZBOCLSA-N 333.431 2.286 30 40 EEEB C=C(C)CN(CC)C(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 65516841 GUWDXXIZRFOCPM-CQSZACIVSA-N 329.400 2.268 30 40 EEEB N#Cc1ccccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2 16093754 INMHOIAEEIKBFL-UHFFFAOYSA-N 331.349 2.487 30 40 EEEB C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)n1cccn1 71882084 BTEXGCXFFBZURQ-RYUDHWBXSA-N 343.456 2.483 30 40 EEEB N#Cc1cc(N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] 97145286 COBIKMRBZDDCGS-MLGOLLRUSA-N 340.383 2.446 30 40 EEEB Cc1cc(NC2CCCCC2)nc(N2CCN(CCO)CC2)c1C#N 71281658 ZCBWXABIFMNMNZ-UHFFFAOYSA-N 343.475 2.121 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 7384828 JZYZURCGFMWNPD-QGZVFWFLSA-N 344.440 2.001 30 40 EEEB C#CCOc1cccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)c1 96193555 FQSPFFCBRGDIRM-UHFFFAOYSA-N 338.367 2.353 30 40 EEEB Cc1ccc(N/C(N)=N\c2nc(C)cc(N3CCOCC3)n2)c(C)c1 6195282 CUMNGHWKPYZIGP-UHFFFAOYSA-N 340.431 2.297 30 40 EEEB CC/N=C1/S[C@@H](CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N1CC 1314559 JTCHGTAUIANYOR-ZFHSLQLHSA-N 349.412 2.053 30 40 EEEB C=CCNC(=O)NC(=O)COC(=O)c1ccc(OCCCCC)cc1 16049270 ZVPUXTKNXTVNTM-UHFFFAOYSA-N 348.399 2.424 30 40 EEEB C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)NC1(C#N)CCCCC1 7738408 OHYFKVFBGVBWPO-ZDUSSCGKSA-N 340.383 2.222 30 40 EEEB Cc1nnc(N2CCC(C(=O)NCc3ccccc3)CC2)c(C#N)c1C 29427781 IHHTWUMJCVEHRQ-UHFFFAOYSA-N 349.438 2.498 30 40 EEEB C[C@@H](O/N=C/c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 25777114 CBGUEXQWOBBPEL-ZGPWBKFBSA-N 341.411 2.363 30 40 EEEB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)NC1(C#N)CCCC1 8036740 DAMSVLHBCFMMEV-UHFFFAOYSA-N 348.834 2.163 30 40 EEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 5377115 TZHILZQQHPRLHL-CRQJOFGKSA-N 338.454 2.006 30 40 EEEB CCOc1nc(SCC(N)=O)c(C#N)c(-c2ccccc2)c1C#N 8715022 POOFKTAKGGQAQT-UHFFFAOYSA-N 338.392 2.468 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(O)cc1 4740734 BAIWOZKQQOZJJW-XKYMITNMSA-N 339.376 2.159 30 40 EEEB N#Cc1ccc(/C(O)=N/S(=O)(=O)N2CCc3sccc3C2)cc1 71859313 QRNMNKDHFCEFFG-UHFFFAOYSA-N 347.421 2.227 30 40 EEEB CS(=O)(=O)N1CCC(CNc2cc(C#N)c3ccccc3n2)CC1 89484475 UPFGICKPLKFGMC-UHFFFAOYSA-N 344.440 2.190 30 40 EEEB C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)CCS1(=O)=O 192050902 HANFYMOEPFURRZ-OAHLLOKOSA-N 336.457 2.378 30 40 EEEB COCCCNc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]2C[C@@H]21 1615051199 XONAUNFXERPKIV-ZBFHGGJFSA-N 349.456 2.180 30 40 EEEB N#Cc1c(N)sc2c1CCN(c1ncc(Br)cn1)C2 67348340 BBCBKDDJCQLUBQ-UHFFFAOYSA-N 336.218 2.317 30 40 EEEB CSc1ccc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1775973304 MFRZWCATGJEYOO-UHFFFAOYSA-N 339.424 2.031 30 40 EEEB N#Cc1cccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)c1 11373101 WKCLGCQULPQDBV-UHFFFAOYSA-N 340.364 2.465 30 40 EEEB Cc1ncsc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 50955010 JXHVYDWSBYOYSV-UHFFFAOYSA-N 327.413 2.117 30 40 EEEB 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([N+](=O)[O-])s1 100231776 KCZFLFYOLLDLKV-VBUIJUDKSA-N 343.364 2.043 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 43056060 BXOXNABVZXOLNT-PXAZEXFGSA-N 337.379 2.208 30 40 EEEB C=CCN(Cc1cccs1)S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 110624840 GBLCBJQFKGXBHW-QWHCGFSZSA-N 330.475 2.090 30 40 EEEB CN(CC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 16629207 OXJZZWXYRYEFES-CYBMUJFWSA-N 343.408 2.330 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1CCCC[C@@H]1Cn1cncn1 71876129 WEVOLCKLUQUZSX-CQSZACIVSA-N 344.444 2.095 30 40 EEEB CN(C)C(=O)N1CCC(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 75607158 RCRQXIAVXYFCFD-UHFFFAOYSA-N 345.447 2.447 30 40 EEEB CC[C@]1(c2ccc(OC(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 79017936 QHKJRNXDVVXNHM-LJQANCHMSA-N 349.346 2.222 30 40 EEEB Cc1sc2nc([C@@H](C#N)C(=O)Nc3cccnc3)[nH]c(=O)c2c1C 89562889 SRSLJXGTTMHTPR-LLVKDONJSA-N 339.380 2.242 30 40 EEEB C[C@@H](NS(=O)(=O)CCCC#N)c1ccc(-c2cncnc2)cc1 74974940 WPVSLWSAAXRILY-CYBMUJFWSA-N 330.413 2.428 30 40 EEEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1nn(C)c2ccccc12 96041359 LBGLXEINWKFWMW-BQFCYCMXSA-N 341.411 2.148 30 40 EEEB C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C 13685006 USRAFFQOAADTTD-OJIWXCRVSA-N 330.380 2.373 30 40 EEEB biogenic,in-vivo Cc1cc(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)no1 1775995789 IUWAISDZJQGUPU-AWEZNQCLSA-N 326.356 2.181 30 40 EEEB N#Cc1cccc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)c1 102048573 BVCRNYVOOFZERN-OALUTQOASA-N 345.402 2.175 30 40 EEEB Cc1cc(C(=O)C[n+]2ccn(C)c2)c(C)n1-c1ccc2c(c1)OCO2 7987782 TWIJYFIAVFONOP-UHFFFAOYSA-N 338.387 2.332 30 40 EEEB C[S@](=O)c1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 69345312 NWZVLQPSLTXZNS-LFPIHBKWSA-N 342.424 2.232 30 40 EEEB COC[C@@](C)(C#N)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 96494841 SBJZLIOKMKWODI-GOSISDBHSA-N 326.400 2.456 30 40 EEEB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)cn1 71841375 WGGQKTNJCNHYML-RBUKOAKNSA-N 349.438 2.134 30 40 EEEB N#Cc1ccc(CN2CCN(c3sccc3[N+](=O)[O-])CC2=O)cc1 97033917 WKTCUNDHGCTADB-UHFFFAOYSA-N 342.380 2.377 30 40 EEEB CC/N=C(/NCc1nc(C)no1)NCC(C)(C)CC1CCOCC1 97022031 OZQYFYKRIRFPJO-UHFFFAOYSA-N 337.468 2.276 30 40 EEEB CCN(C[C@H]1CN(Cc2cccc(C#N)c2)CCO1)c1cccnn1 84774653 KFUXBQWOABNGEX-GOSISDBHSA-N 337.427 2.076 30 40 EEEB C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1COc1ccccc1)C1CC1 79090829 JQZHPILZXPSPNG-APWZRJJASA-N 327.428 2.338 30 40 EEEB C=CCN1CC[C@]2(CN(C(=O)NCc3cccc(F)c3)C[C@H]2C)C1=O 96201688 LAEJAYYZECLMOJ-AUUYWEPGSA-N 345.418 2.392 30 40 EEEB O=C(NCC#Cc1ccccc1)N1CCC([C@H](O)C(F)(F)F)CC1 96477003 JNVDFPGDBINGTK-HNNXBMFYSA-N 340.345 2.383 30 40 EEEB C=CCN1C(=S)N(c2ccc(C)c(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 1236216 RVMLRNABIGJCIT-CABCVRRESA-N 336.482 2.062 30 40 EEEB CCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40549298 OEBJVUZBOWZYOT-UHFFFAOYSA-N 329.360 2.048 30 40 EEEB O/C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)=N\C1CC1 12681077 XOFVQGLFCYZMID-UHFFFAOYSA-N 328.338 2.341 30 40 EEEB C=CCO[C@H](C)C(=O)N1CCc2[nH]c3c(C(=O)OC)cccc3c2C1 65577281 HZBGGNPKTVIDMO-GFCCVEGCSA-N 342.395 2.430 30 40 EEEB CS(=O)(=O)CC1(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 78974352 UVRMSADIRRVBLI-ZDUSSCGKSA-N 340.832 2.236 30 40 EEEB Cc1cc(N[C@@H]2CCN(c3sccc3C#N)C2=O)ccc1C(N)=O 79048378 WLMGLEPJDZPHBG-CQSZACIVSA-N 340.408 2.245 30 40 EEEB CS(=O)(=O)O[C@@H]1C[C@@H]2CC[C@H]3C[C@@H](O[C@@H]4CCCCO4)[C@H]1[C@@H]32 45070826 NKITVIAMISOQED-RVWUJTDLSA-N 330.446 2.309 30 40 EEEB N#Cc1ccc(CC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1 575347681 VQDURABGULZSBP-XLIONFOSSA-N 333.391 2.237 30 40 EEEB C/N=C(/NCc1ncnn1C)N1CC[C@](C)(CCc2ccccc2)C1 225464686 HSDIYFMNIMMNKU-IBGZPJMESA-N 340.475 2.235 30 40 EEEB N#Cc1ccnc(N2CCC[C@H](c3nncn3C3CC3)C2)c1[N+](=O)[O-] 91627497 DDMIWYYXGSRDIN-LBPRGKRZSA-N 339.359 2.172 30 40 EEEB Cc1cc(Br)ccc1S(=O)(=O)Nc1[nH]ncc1C#N 128908131 ZSXCQJMYTLOBSC-UHFFFAOYSA-N 341.190 2.153 30 40 EEEB N#Cc1ccc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)cn1 1775977719 KWSJDILEXDEXGG-UHFFFAOYSA-N 332.367 2.330 30 40 EEEB COc1ccc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)cc1 494075 SRFPVHYAPYBZLI-UHFFFAOYSA-N 336.307 2.361 30 40 EEEB N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3cccs3)c2)CCO1 106349999 WNXIYCZYALDCSS-CQSZACIVSA-N 341.392 2.105 30 40 EEEB C=CCO[C@H](C)C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 58357953 TZIFEFPIDMGJPA-MRXNPFEDSA-N 344.455 2.226 30 40 EEEB CN(C/C(O)=N/[C@@]1(C)CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 82111134 URQWGIRVPOCQLD-HNNXBMFYSA-N 344.864 2.306 30 40 EEEB C=C(C)CNC(=S)NC[C@H](c1ccc(F)cc1)N1CCOCC1 12859961 MDPMMRZVZUDMRR-MRXNPFEDSA-N 337.464 2.239 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H]1c1ccccc1 65516871 WNDFLPGRYVQLKZ-AEFFLSMTSA-N 335.407 2.468 30 40 EEEB COC(=O)N1CCC[C@@H](/C(O)=N/S(=O)(=O)c2ccc(C)s2)C1 69921024 FHCKMLRHXMPVHW-SNVBAGLBSA-N 346.430 2.180 30 40 EEEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 6541165 ZYFJXYATFRGTTL-UHFFFAOYSA-N 339.351 2.073 30 40 EEEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccccc2F)nc1N 18240443 ZMDWGECVFIWGIG-UHFFFAOYSA-N 327.344 2.277 30 40 EEEB C=CCn1nc(Oc2nc(NC(C)C)nc(NC(C)C)n2)ccc1=O 27666725 CLVZTZWKXVIENX-UHFFFAOYSA-N 345.407 2.047 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1Cn1cccn1 71875403 OGECPWPWDDFQDV-CQSZACIVSA-N 329.429 2.309 30 40 EEEB N#Cc1ccc(OCCNC(=O)c2cc(F)c(F)c(O)c2F)cc1 97112825 AYVYMXCZOGVIDP-UHFFFAOYSA-N 336.269 2.490 30 40 EEEB N#CC1(NC(=O)c2c(F)ccc(OC(F)F)c2F)CCOCC1 95441853 LWFRXRUMXKFEGR-UHFFFAOYSA-N 332.253 2.369 30 40 EEEB N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(O)cc2)CC1 195576681 XRWKKLHPZCCMBX-UHFFFAOYSA-N 325.343 2.365 30 40 EEEB Cc1onc(CC(=O)N2CCN(c3cccc(F)c3F)CC2)c1C#N 332181528 ZBGVLGGHPJCSCE-UHFFFAOYSA-N 346.337 2.024 30 40 EEEB Cc1ccncc1[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 585140105 IQCOOQMLRUNSJD-HNNXBMFYSA-N 327.409 2.440 30 40 EEEB C#C[C@H]1CCCN(C(=O)Cc2nnc(-c3ccccc3OC)o2)C1 585117885 VNKAUUZKMJCSGC-ZDUSSCGKSA-N 325.368 2.160 30 40 EEEB CCc1noc([C@H](C)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 44915123 RXPFOBQRQKNGFL-NSHDSACASA-N 342.403 2.252 30 40 EEEB C=CCN1C(=O)COC2(CCN(Cc3cccc(OC)c3)CC2)[C@H]1C 2055713426 NRCNKYLQEJTFRY-MRXNPFEDSA-N 344.455 2.463 30 40 EEEB C#CCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(Cl)ccc21 101069160 WMBSAVOFRUXJFM-ICFOKQHNSA-N 330.800 2.464 30 40 EEEB N#Cc1c(SCC(N)=O)nc(N2CCCCC2)c2c1CCCC2 20588970 IFNKFRFTIGRCRA-UHFFFAOYSA-N 330.457 2.400 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@H](O)c3c(F)cccc3F)CC2)c1 51877501 USAUGZNYZLPKLL-INIZCTEOSA-N 344.365 2.087 30 40 EEEB N#Cc1ccc(OCCN2CCN(C(=O)C3CCCC3)CC2)cc1 29662014 NISUJCOBFKHJPP-UHFFFAOYSA-N 327.428 2.271 30 40 EEEB C=CCN(C)Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CC)C2)cc1 71904448 LEDNNHVSHMUBSG-GOSISDBHSA-N 343.471 2.435 30 40 EEEB C=CCOC(=O)[C@]12C[C@@](C)(OC(C)=O)[C@@H]1c1ccccc1OC2=O 103108403 OXEJIIKLRXTAFZ-QGTPRVQTSA-N 330.336 2.130 30 40 EEEB N#C[C@@]12C(=N)N=C3O[C@@]4(CCCC[C@@H]14)O[C@H](c1ccncc1)[C@]32C#N 102928506 GICZAEKCMQBQEG-KISNFGTJSA-N 333.351 2.479 30 40 EEEB CN(C)/C(N)=N/C[C@H]1CCN(c2cccc(Br)c2)C1 170910571 UFZGQJXMWLTZRT-LLVKDONJSA-N 325.254 2.152 30 40 EEEB COCCCNC(=O)C1CCN(Cc2cc(C#N)ccc2F)CC1 56307899 KLFZLSBJGRLFQS-UHFFFAOYSA-N 333.407 2.062 30 40 EEEB C#CCOc1ccc(/C=C2/NC(=O)N(CCC)C2=O)cc1OCC 409247411 HDQMAOFHYMNJCX-SDNWHVSQSA-N 328.368 2.400 30 40 EEEB N#Cc1cnc(NC[C@]2(N3CCOCC3)CCSC2)c(Cl)c1 58307378 ROCHKKBNFISCBD-OAHLLOKOSA-N 338.864 2.226 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)NCCCn2ccnc2)cc1 48149104 GSOWQBGRBQQDKJ-UHFFFAOYSA-N 327.388 2.011 30 40 EEEB C#CCN1CCC(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 58406826 BDQRTZDRBBZXEQ-INIZCTEOSA-N 343.446 2.113 30 40 EEEB C=C(Br)CNC(=O)Nc1ccc(NC(=O)COC)cc1 49300368 UIPBYSDPXUUYSF-UHFFFAOYSA-N 342.193 2.302 30 40 EEEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C[C@@H]3CCCO3)c2)c1 4166341 ZVTAYUCZPGRYDT-HNNXBMFYSA-N 338.363 2.144 30 40 EEEB COc1ccc(N/C(O)=N/[C@@H](CCSC)C(=O)O)c(OC)c1 82087975 YMLNCVCWECBKBM-NSHDSACASA-N 328.390 2.236 30 40 EEEB CC(C)n1nc2c(cc1=O)CN(CCOc1ccc(C#N)cc1)CC2 76064888 QTSPTMIBQITZAZ-UHFFFAOYSA-N 338.411 2.133 30 40 EEEB CCOc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1 22031367 OZCADQCUHXIIMI-UHFFFAOYSA-N 329.385 2.060 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)NCc2cn3ccsc3n2)c1 73548743 HJZZTPKEXQLXFC-UHFFFAOYSA-N 329.360 2.406 30 40 EEEB C=CCNS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)O)c1 217570244 UZDGSJFTCGGMET-UHFFFAOYSA-N 326.418 2.307 30 40 EEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccc(-n3cccc3)cc1)C2 225682644 XTKCJKBWQWGKHI-UHFFFAOYSA-N 344.374 2.236 30 40 EEEB COC(=O)C[C@@H]1CN(c2ccc(Br)cc2C#N)CCO1 96501532 DGNYSFOFYLUEDI-GFCCVEGCSA-N 339.189 2.089 30 40 EEEB C#CCn1cc(CN(C)C(=O)Cc2c(Cl)cccc2OC)cn1 160728138 ZKQKJUBRKCQQRK-UHFFFAOYSA-N 331.803 2.379 30 40 EEEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3F)[C@]12C#N 100157773 JLVQOIUVWRBVHK-BMFZPTHFSA-N 328.347 2.040 30 40 EEEB N#Cc1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1Cl 89769846 DYCMYKMYXNTLND-KBPBESRZSA-N 332.791 2.487 30 40 EEEB Cc1cc(N[C@H]2CCS(=O)(=O)C2)n2c(nc3ccccc32)c1C#N 12520087 OSQJUBHXZWIHRW-LBPRGKRZSA-N 340.408 2.267 30 40 EEEB COc1ccc([C@H]2CC(=O)C=C(Nc3nonc3N)C2)c(OC)c1 101617837 RZXNCCIBWIPSLE-SECBINFHSA-N 330.344 2.112 30 40 EEEB Cc1ccc([C@@H](CNc2nnc(C)c(C)c2C#N)N2CCOCC2)o1 43533752 XVGBBJVQXCDXEA-MRXNPFEDSA-N 341.415 2.352 30 40 EEEB Cc1nnc(N2CCN(CCc3cccs3)CC2)c(C#N)c1C 57141389 WLQKAIPMQIAHMA-UHFFFAOYSA-N 327.457 2.391 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N1CCC(n2cncn2)CC1 69701828 GMZFFUQAIXUGNK-UHFFFAOYSA-N 340.387 2.417 30 40 EEEB CCCCC(=O)OC1=C(C(C)=O)N(C)S(=O)(=O)c2ccccc21 9135133 YSBVHIIXSOWQLM-UHFFFAOYSA-N 337.397 2.312 30 40 EEEB N#Cc1ccc(F)c(CNc2ncnc3c2cnn3-c2ncccn2)c1 95434869 CNZRIKGUSBADMZ-UHFFFAOYSA-N 346.329 2.228 30 40 EEEB CCN(CCc1nccs1)C(=O)C(=O)Nc1ccc(C#N)cc1 124973812 AUGPPSODUCLVJG-UHFFFAOYSA-N 328.397 2.044 30 40 EEEB C=CCn1c2c(ccc1=O)C[C@H](NC(=O)Cc1ccsc1)CC2 96067646 WYRCEUXQUYJDEM-OAHLLOKOSA-N 328.437 2.312 30 40 EEEB N#Cc1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1 30133674 WMPDMDDOIARXQQ-UHFFFAOYSA-N 339.317 2.089 30 40 EEEB O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2565377 KGNXSUMGEVDAPL-UHFFFAOYSA-N 333.150 2.313 30 40 EEEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2n[nH]c3ccccc23)n1 6606005 RHPFLDNEOMQXJB-LLVKDONJSA-N 340.364 2.361 30 40 EEEB C#CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)nc1 96501177 RYIYBXWZSQJBBV-UHFFFAOYSA-N 346.252 2.287 30 40 EEEB Cc1nc(SCC(=O)NC(=O)c2cccn2C)c(C#N)c(C)c1C 22466000 LWBADNSHTVGRLX-UHFFFAOYSA-N 342.424 2.266 30 40 EEEB N#CCN(CC#N)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 58379965 PVJPABKUUOYBHD-UHFFFAOYSA-N 330.294 2.428 30 40 EEEB N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCCc2ccccc21 58411558 JCMDIOPSKRZIGR-IBGZPJMESA-N 341.455 2.181 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 3428647 CPMUSJHYMXYCAY-UHFFFAOYSA-N 326.308 2.313 30 40 EEEB CCN(CC)S(=O)(=O)c1cccc(/N=C2\NC[C@@H](C)S2)c1 3885655 PUAYGPJYKVHDRE-LLVKDONJSA-N 327.475 2.430 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2cccnc2)nc1 5166990 JFMYALFAHBCFOI-CPNJWEJPSA-N 347.444 2.343 30 40 EEEB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1C#N 65514962 KIENDRQNZZHBKS-OPIZNEOISA-N 343.452 2.388 30 40 EEEB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1C#N 65514960 KIENDRQNZZHBKS-LKVBTMTGSA-N 343.452 2.388 30 40 EEEB C#CCNC(=O)CCNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 69617960 HTSQAOORIBWQMO-UHFFFAOYSA-N 340.345 2.239 30 40 EEEB CCNS(=O)(=O)[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 95944364 KEPQRDYTPDFVFX-LBPRGKRZSA-N 347.362 2.095 30 40 EEEB N#Cc1ccc(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)c(F)c1 95985215 DQIDQUQDDOZUFA-UHFFFAOYSA-N 345.296 2.296 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1cccs1 75156025 OMRVAAHGPWVLDQ-GFCCVEGCSA-N 349.799 2.061 30 40 EEEB CC(C)c1ccoc1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 284300760 UEQWETCECLUDKM-ZDUSSCGKSA-N 339.399 2.416 30 40 EEEB Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](Oc2nccnc2C#N)CC1 244975051 HZORQVHKKICIOJ-JOCQHMNTSA-N 341.371 2.073 30 40 EEEB CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc1C 32672378 WXSBRYFKKCFKOD-GXTWGEPZSA-N 347.440 2.240 30 40 EEEB CNC(=O)[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 75119313 UAKOIDRTRJEHMX-HNNXBMFYSA-N 344.321 2.445 30 40 EEEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)C1=NO[C@@H](c2ccccc2)C1 104055542 CEQIFSRTPJYEOJ-UKRRQHHQSA-N 334.335 2.247 30 40 EEEB CCO[C@@H]1N(C)C(=O)C(C#N)=NN1c1cccc(C(F)(F)F)c1 1408837 ZUWZWYQBRHWAEK-CYBMUJFWSA-N 326.278 2.183 30 40 EEEB O=[N+]([O-])c1ccccc1/C=C/C=N/NC(=S)NC[C@@H]1CCCO1 3297883 NAAPXWDTZKJNLA-RLUZFEIMSA-N 334.401 2.237 30 40 EEEB N#Cc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 14158535 TWVFWSVZDCREPQ-UHFFFAOYSA-N 326.381 2.323 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1/C=N\[C@H]1C[C@H]2CC[C@H]1C2 408526824 GTIYEWDDRJFJLI-WHIGTXRASA-N 343.358 2.284 30 40 EEEB Cn1cc(C#N)c(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)n1 96005771 ROBQZMRVHLKNOX-UHFFFAOYSA-N 343.350 2.278 30 40 EEEB CCNC(=O)COc1ccc(/C=C2/CCc3c(cnn3C)C2=O)cc1 96291743 QJMHLGWMJGAMRQ-UVTDQMKNSA-N 339.395 2.148 30 40 EEEB C#CCNC(=O)c1ccc(NCc2cccc(N3CCCC3=O)c2)nc1 95395887 IMAVEVKKNFKADC-UHFFFAOYSA-N 348.406 2.184 30 40 EEEB Cn1ncc(C#N)c1NC(=O)NCc1cccnc1OC1CCCC1 95460690 BTMODTGHVSJAMY-UHFFFAOYSA-N 340.387 2.330 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 222323834 CYIRFOHUIPKUIU-PCHTZYFBSA-N 335.407 2.140 30 40 EEEB C=CCN(Cc1nc(C2CC2)no1)S(=O)(=O)c1cccs1 96412916 GNAWVZLNYKQPIK-UHFFFAOYSA-N 325.415 2.385 30 40 EEEB CS(=O)(=O)c1n[nH]c(/N=C(\O)Cc2ccccc2C(F)(F)F)n1 83987627 VDMQIMQGUVKYFU-UHFFFAOYSA-N 348.306 2.058 30 40 EEEB Cc1ccc(/C=N/N=C(/c2ccccc2)C23CN4CN(CN(C4)C2)C3)o1 19320858 WPHFOVVTBMBQLY-VITKLESHSA-N 349.438 2.217 30 40 EEEB C=CCCC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888853084 HZDQIGHWAYIZFI-GASCZTMLSA-N 326.444 2.135 30 40 EEEB C=CCCC(=O)N1C[C@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888853085 HZDQIGHWAYIZFI-GJZGRUSLSA-N 326.444 2.135 30 40 EEEB C=CCNC(=O)N1CCC(COc2ccc3nc(C)cn3n2)CC1 1888860492 NXTYGFINRXZNGV-UHFFFAOYSA-N 329.404 2.024 30 40 EEEB C=CCn1c(N)cc(=O)nc1S[C@@H](C)C(=O)Nc1ccccc1 798419 ZRWIIVQZFBKGFP-NSHDSACASA-N 330.413 2.131 30 40 EEEB CC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc21 22274557 DPDOMWHJHSTMBC-UHFFFAOYSA-N 341.392 2.268 30 40 EEEB C#CCN(CCOc1cccc(S(C)(=O)=O)c1)Cc1ccco1 71915651 XWVJQSBJAIWEEX-UHFFFAOYSA-N 333.409 2.197 30 40 EEEB C[C@H]1CN(C)c2ccccc2N(CC(=O)N[C@](C)(C#N)C2CC2)C1 107053879 ZHOJBQIPBBEDAW-IFXJQAMLSA-N 326.444 2.387 30 40 EEEB COc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 25234200 CHDWSFRCIYVGRX-UHFFFAOYSA-N 337.383 2.316 30 40 EEEB CCOCCCNC(=O)C1CCN(c2cccc(F)c2C#N)CC1 58343116 GNHISQUOKPESND-UHFFFAOYSA-N 333.407 2.457 30 40 EEEB C#CCN(Cc1ccco1)C(=O)NCc1ccc(Cn2cncn2)cc1 58393079 HOFUFSZVNDRRJK-UHFFFAOYSA-N 349.394 2.264 30 40 EEEB C#CCN1CCC(C(=O)Nc2cc(C)c(Br)cn2)CC1 84114865 DJMVMZFNGUHXES-UHFFFAOYSA-N 336.233 2.436 30 40 EEEB C=CCc1cc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)cc(OC)c1OC 78894902 YYUFGDIXPYKQOD-XJKSGUPXSA-N 332.444 2.454 30 40 EEEB COc1ccc(/C=N\Nc2ccc(S(=O)(=O)O)cc2)cc1OC 31638528 JBWUPOARFJCZAE-YBEGLDIGSA-N 336.369 2.397 30 40 EEEB C=CCOc1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OC 33403614 XVCYJZGKLLJZKZ-XQRVVYSFSA-N 345.311 2.128 30 40 EEEB C[C@@H](NC(=O)c1sccc1C#N)C1(N2CCOCC2)CCCC1 85293247 FYYXFFXFBXCAHX-CYBMUJFWSA-N 333.457 2.383 30 40 EEEB C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c(C)noc1C 96198490 BMFKIAOVJZNWDD-MRXNPFEDSA-N 331.420 2.205 30 40 EEEB N#Cc1ccc(Br)c(NC(=O)COC[C@H]2CCCO2)c1 585125119 HNLMLVBZCCFEDB-LLVKDONJSA-N 339.189 2.455 30 40 EEEB CCNc1ncc(S(=O)(=O)N[C@H](C)CC#N)cc1C(F)(F)F 1615045994 OKSUAEXBFYCOOQ-MRVPVSSYSA-N 336.339 2.113 30 40 EEEB N#Cc1ccc(CC(=O)N2CCc3ncnc(C4CC4)c3CC2)cc1 2055730215 MVGRYUXCXMGBHF-UHFFFAOYSA-N 332.407 2.396 30 40 EEEB Cc1nccn1-c1cccc(N2CCN(c3ccc(C#N)cn3)CC2)n1 363724137 QXCRKYRKTJRANL-UHFFFAOYSA-N 345.410 2.169 30 40 EEEB C[C@]1(c2ccccc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47347158 QQGCJKDQEWHNKQ-LJQANCHMSA-N 335.363 2.404 30 40 EEEB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC#N)cc1 12535931 CVDVAHQWUCIJJI-UHFFFAOYSA-N 346.364 2.176 30 40 EEEB C[C@H](C#N)CN(C)C(=O)c1cc(Br)c2c(c1)OCCO2 58178388 QQPREINQQFCUGB-SECBINFHSA-N 339.189 2.452 30 40 EEEB N#Cc1ccc(-c2cccs2)nc1SCc1cc(=O)[nH]c(=O)[nH]1 2208157 STDRMZAQZLLTAU-UHFFFAOYSA-N 342.405 2.351 30 40 EEEB CCCCCCn1c(N/N=C(\C)CC)nc2c1c(=O)[nH]c(=O)n2C 4728729 JSZSZLVKFFTYNB-YBFXNURJSA-N 334.424 2.201 30 40 EEEB CCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C#N)c1 7054559 FTUOTHLSGBJHBZ-UHFFFAOYSA-N 343.408 2.499 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 84185654 FGDDCHXBOLHJRE-IAGOWNOFSA-N 341.411 2.365 30 40 EEEB C=C(C)C(=O)O[C@H]1C[C@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)C(=C)[C@H]12 72320520 FDLLEBFMOIHMNM-DFHZNHDVSA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro CC/N=C(/NCc1ccon1)N[C@H](C)c1cccc(-n2cncn2)c1 96462456 AWZQBUVDIPSTSB-CYBMUJFWSA-N 339.403 2.072 30 40 EEEB CC(=O)N[C@@]1(c2nc(C)no2)CCN(c2ccc(C#N)c(Cl)c2)C1 591608836 NUSKWIHMRIJLSX-INIZCTEOSA-N 345.790 2.145 30 40 EEEB CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@H]1COCC[C@H]1C#N 1616037618 LIESKCZMFBHROF-IRXDYDNUSA-N 347.440 2.029 30 40 EEEB CN1C(=O)c2cccnc2C12CCN(C(=O)C1(C#N)CCCC1)CC2 1565554330 ORCNLAVUBLTHMV-UHFFFAOYSA-N 338.411 2.069 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1 12414031 QHABDZVHFXVBPH-RDVROUHDSA-N 335.407 2.284 30 40 EEEB S=C(NCCc1ccccc1)N/N=C/c1ccc2c(c1)OCCO2 2632148 CPFBWHUFHYLLSH-DEDYPNTBSA-N 341.436 2.499 30 40 EEEB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@@H](C)CC#N)C2)cc1 58330647 QKIYWYYYJFGERC-JKSUJKDBSA-N 335.473 2.288 30 40 EEEB Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)o1 4310989 JECOAYQDJMYPGF-IDTYTIONSA-N 344.367 2.164 30 40 EEEB N#Cc1cccnc1N[C@@H](C(N)=O)c1cccc(Br)c1 69714806 CIOWJKFDKMRZQZ-GFCCVEGCSA-N 331.173 2.354 30 40 EEEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1 71058679 YTVCGSZQNQOBSH-IBGZPJMESA-N 335.407 2.474 30 40 EEEB CCCNc1ccc(C#N)cc1NC(=O)c1c([N+](=O)[O-])cnn1C 95452498 CNNGGLABNGYZOW-UHFFFAOYSA-N 328.332 2.274 30 40 EEEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccc(F)cc1 408527332 MDBXEMUNIWAXDR-AZHAFVHUSA-N 343.358 2.411 30 40 EEEB N#Cc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)c1 565883940 SJTVTRTVIRFLCW-GFCCVEGCSA-N 331.763 2.403 30 40 EEEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)c4ccncc4)C3)CC2=O)c1 96238895 QAVRVDMRTFGMIU-FQEVSTJZSA-N 346.390 2.222 30 40 EEEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc(OC)cc1 96041521 WVEWFUKQSXNDEQ-YQVWRLOYSA-N 331.412 2.199 30 40 EEEB C=C1C[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@@H]2OCc2ccccc2)OC1=O 5742126 GMPQSOIOCLUVEM-RNGZQALNSA-N 346.379 2.320 30 40 EEEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 12601811 ZDVHQAKIGXBAMN-GBESFXJTSA-N 327.472 2.245 30 40 EEEB biogenic,in-vitro N#Cc1cccc(C(=O)N2CC(Cn3cc(Br)cn3)C2)c1 1888879088 BLEMGZDSMPSJHN-UHFFFAOYSA-N 345.200 2.289 30 40 EEEB CCCn1c(=O)[nH]c2cc(S(=O)(=O)/N=C(\O)C(C)C)ccc21 48574178 BTKIKUANMYULKG-UHFFFAOYSA-N 325.390 2.041 30 40 EEEB CC/N=C1\S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CC 16755213 IAJLMWPTQPYUOT-WPCFGXOUSA-N 335.429 2.364 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 5629916 VZPNCPYXVYXIDP-UHFFFAOYSA-N 327.296 2.493 30 40 EEEB C=CCOc1ccc(Br)cc1[C@H]1CC(=O)N=C2N=CNN21 409375026 DIIUFSDQXHIIKY-LLVKDONJSA-N 349.188 2.190 30 40 EEEB N#Cc1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 7046727 YOARCLLLZMMDOO-UHFFFAOYSA-N 325.368 2.206 30 40 EEEB N#C[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(F)cc1F 97083153 JDJCHHQLGIORFP-HNNXBMFYSA-N 347.296 2.215 30 40 EEEB C=CCNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 75110481 CMCWOYSDVMDMGV-RYUDHWBXSA-N 327.425 2.232 30 40 EEEB C=CCNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)O 217626174 BMLFJUYDCVNVPJ-UHFFFAOYSA-N 336.369 2.054 30 40 EEEB CC/N=C(\NCC)S[C@@H]1CC(=O)N(CCc2ccccc2)C1=O 100048902 DMODIJUNUOQSPE-CQSZACIVSA-N 333.457 2.075 30 40 EEEB Cc1ccccc1-c1nnn(CC(=O)NC2(C#N)CCCCCC2)n1 40050366 NMPKPWBPFZORPT-UHFFFAOYSA-N 338.415 2.381 30 40 EEEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](n3cnc([N+](=O)[O-])c3)C2)cc1 101003751 IHKFZLVXBRHARG-HAQNSBGRSA-N 337.357 2.209 30 40 EEEB C=CCNC(=O)[C@H](C#N)C(=O)c1cccc(Cn2nc(C)cc2C)c1 103747413 FPNMJOHMHMKJCC-QGZVFWFLSA-N 336.395 2.173 30 40 EEEB N#CCc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1 22872037 GIKDONVKEDUJCT-UHFFFAOYSA-N 334.375 2.494 30 40 EEEB N#Cc1c(F)cccc1N1CCN(C(=O)/C=C/c2cccnc2)CC1 26022346 FJBUPYSEZPLKIL-VOTSOKGWSA-N 336.370 2.454 30 40 EEEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCCC1 66175337 XLWMXOSRXMKFHF-UHFFFAOYSA-N 342.443 2.491 30 40 EEEB C#Cc1cccc(NS(=O)(=O)c2cc(F)ccc2C(=O)OC)c1 66578832 YLEUPPQUHCTZSZ-UHFFFAOYSA-N 333.340 2.394 30 40 EEEB C#CCN1CCC(C(=O)Nc2ccc(OCC(C)(C)O)cc2)CC1 72290027 JIOVFGPJOHBIRB-UHFFFAOYSA-N 330.428 2.120 30 40 EEEB C[C@@H]1CN(Cc2csc(NC(=O)c3c[nH]c(C#N)c3)n2)C[C@@H](C)O1 97233615 QAFIUIMYQFEZQE-GHMZBOCLSA-N 345.428 2.204 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 95964940 DMLDKZSQEVIAJL-DZGCQCFKSA-N 342.447 2.101 30 40 EEEB Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 528970006 UUUOEFXDGULNGZ-OLZOCXBDSA-N 345.305 2.412 30 40 EEEB C[C@H](Cc1ccco1)NC(=O)C(=O)Nc1cc(Cl)ccc1C#N 42381907 SHGUISGUMBVWDY-SNVBAGLBSA-N 331.759 2.491 30 40 EEEB N#Cc1cccc(C(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)c1 225634485 QKWKSLNTFHDCDW-MRXNPFEDSA-N 349.346 2.008 30 40 EEEB C=CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224403900 MEYLKDGSOCGTBT-UHFFFAOYSA-N 344.436 2.423 30 40 EEEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccoc2)cc1 48547541 URYMCAYZZHSUDW-UHFFFAOYSA-N 349.412 2.408 30 40 EEEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 225663718 OUMAVHIWOYLFNU-ULQDDVLXSA-N 329.352 2.474 30 40 EEEB C=CCn1c2c(ccc1=O)CCN(Cc1ccc3c(c1)OCO3)CC2 96196667 VJHUPPQOVKXVGL-UHFFFAOYSA-N 338.407 2.364 30 40 EEEB N#Cc1cccnc1NCCNC(=O)Cc1cccc2ncccc12 1093985330 MVZVXVAARWFGMC-UHFFFAOYSA-N 331.379 2.272 30 40 EEEB N#CC1(NC(=O)CN2CCO[C@H](c3nccs3)C2)CCCCCC1 65593912 KINFXOISQDLZEA-AWEZNQCLSA-N 348.472 2.249 30 40 EEEB C=CCN[C@@H](CC(=O)Nc1ccccc1Br)C(=O)O 5258463 AGWGALYWLUXGMZ-NSHDSACASA-N 327.178 2.007 30 40 EEEB C[C@]1(c2ccco2)NC(=O)N(CCCOc2ccc(C#N)cc2)C1=O 40525187 PVZBLTGEDVSPEJ-GOSISDBHSA-N 339.351 2.387 30 40 EEEB C=CCN(C(C)=O)[C@@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O 100884286 LCIDFOCHIOZUNP-MRXNPFEDSA-N 330.384 2.142 30 40 EEEB C=CCOC(=O)c1sc2nc(-c3cnccn3)[nH]c(=O)c2c1C 54753150 BCDHGCDKLXRDMP-UHFFFAOYSA-N 328.353 2.093 30 40 EEEB N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 47359318 LTNKDHZHZXSYBY-OCCSQVGLSA-N 348.362 2.381 30 40 EEEB C=CCn1c(Cl)c(C=O)s/c1=N/S(=O)(=O)c1ccccc1 100318450 DWFQWALRLWORDC-FYWRMAATSA-N 342.829 2.491 30 40 EEEB C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@@H](C#N)CCC#N)CC1 69485217 FBZHLWWOYXCEJT-UONOGXRCSA-N 328.420 2.069 30 40 EEEB COc1cccc(CCC(=O)NC2(C#N)CCC3(CC2)OCCO3)c1 69596800 FPHOOQGQHKWIJH-UHFFFAOYSA-N 344.411 2.323 30 40 EEEB CCOc1ccc2c(c1)C[C@H](/C(O)=N/c1nc3ncccn3n1)CO2 71882713 MHTDFHSSTXOQDU-LBPRGKRZSA-N 339.355 2.362 30 40 EEEB Cc1cc([C@H]2CCCN2C(=O)CN(C)c2ccc(C#N)cn2)on1 71827037 FWUHCPJFAPOEPI-CQSZACIVSA-N 325.372 2.050 30 40 EEEB N#Cc1ccsc1NC(=O)CN1CCO[C@@H](c2nccs2)C1 97203941 HGYIBUZIAAKNJH-LLVKDONJSA-N 334.426 2.088 30 40 EEEB COC[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 95409302 AQIWCMUPYLISBA-NSHDSACASA-N 348.346 2.377 30 40 EEEB COc1ccc(-c2ccc(/C=N\NC(=N)N[N+](=O)[O-])o2)cc1Cl 408718350 SZTZISGPPTZVSN-APSNUPSMSA-N 337.723 2.248 30 40 EEEB CCS(=O)(=O)C1CCN(/C(O)=N/[C@@H](C)c2cncc(F)c2)CC1 331272441 GXRZLSFCIHTWKD-NSHDSACASA-N 343.424 2.095 30 40 EEEB C#C[C@@H]1CCCN(C(=O)Cc2nnc(-c3ccccc3OC)o2)C1 585117884 VNKAUUZKMJCSGC-CYBMUJFWSA-N 325.368 2.160 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 57114535 OMYKQUJUNOTAIN-PKOBYXMFSA-N 325.456 2.117 30 40 EEEB Cc1cc(C)n(C[C@@H]2CN(CCOc3cccc(C#N)c3)CCO2)n1 69351403 HVQGVZVNRACXNW-IBGZPJMESA-N 340.427 2.151 30 40 EEEB COc1ccc(C(=O)C[n+]2ccc(-c3nnc4n3CCC4)cc2)cc1 1749282 BKLXSNUWBYMAQM-UHFFFAOYSA-N 335.387 2.070 30 40 EEEB C/N=C1/S[C@@H](CC(=O)Nc2ccccc2OC(F)F)C(=O)N1C 100880424 UEPRAXTWCPGZBP-KDSBZSBUSA-N 343.355 2.176 30 40 EEEB COc1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1OC 100573082 MKAWJSXWJFAGFT-XSFVSMFZSA-N 326.400 2.255 30 40 EEEB Cc1csc(=O)n1CCN1CCN(c2cccc(F)c2C#N)CC1 40513724 XXZROZFBBSJTKL-UHFFFAOYSA-N 346.431 2.051 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 101372581 AIYGVAUMELHMGK-ZDUSSCGKSA-N 340.383 2.394 30 40 EEEB C#CCNC(=O)[C@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 22690909 BXIXIPHUWOSQQK-WMZOPIPTSA-N 328.412 2.134 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 43056058 BXOXNABVZXOLNT-SJKOYZFVSA-N 337.379 2.208 30 40 EEEB N#Cc1ccccc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2 1307681 NNLKRINYTBBUIS-UHFFFAOYSA-N 331.331 2.387 30 40 EEEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 58184417 DYLCKQOOVQXYJF-LJQANCHMSA-N 330.347 2.397 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc(F)c1 10101649 XPDFBIPABHHJIM-UHFFFAOYSA-N 341.386 2.294 30 40 EEEB Cc1nn(C(N)=S)c(O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N 6556324 MVRIBBSKOVPODF-CYBMUJFWSA-N 345.815 2.437 30 40 EEEB Cc1nn(CCC(=O)N[C@H](C#N)c2ccsc2)c(C)c1[N+](=O)[O-] 69895401 MCUKSSGXLHFGMS-GFCCVEGCSA-N 333.373 2.241 30 40 EEEB CCOCCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 71859272 ODNSVCZNQXHBNL-LBPRGKRZSA-N 341.429 2.262 30 40 EEEB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 72282362 WPFIEKGYQKULRM-WCQYABFASA-N 339.848 2.069 30 40 EEEB C/N=C(/NCCN1CCCCC1)NCc1nccc2ccccc12 76016585 FVIAGGACPWYJDP-UHFFFAOYSA-N 325.460 2.386 30 40 EEEB COC(=O)c1ncccc1N1CCN(c2ccc(C#N)cc2F)CC1 95431645 HHKGABKWRCBRQU-UHFFFAOYSA-N 340.358 2.206 30 40 EEEB CN=c1nc(N/N=C/c2ccc(C)cc2)[nH]c(=Nc2ccccc2)[nH]1 408730639 SQXWHZQSRCQBQQ-UDWIEESQSA-N 333.399 2.255 30 40 EEEB N#CCCN(CCC#N)C(=O)CN1CCSC[C@@H]1c1ccccc1 71909052 ONCPWJDCFLYRKQ-QGZVFWFLSA-N 342.468 2.432 30 40 EEEB C=CCN1C[C@@H]2CN(C(=O)c3ccoc3)CCC[C@]2(C(=O)OCC)C1 96055980 QWALPROXYLQEGP-APWZRJJASA-N 346.427 2.183 30 40 EEEB N#Cc1cnc(N2CCCSCC2)nc1N1CCCSCC1 585092775 NDMVPXWYPYPQPN-UHFFFAOYSA-N 335.502 2.235 30 40 EEEB N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccsc1C(=O)O 1601114181 MVRUQCIFZVCZCC-GFCCVEGCSA-N 348.405 2.284 30 40 EEEB CCN1C(=O)/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccccc21 6010961 YKTNIAVOZDRKQC-FBMGVBCBSA-N 343.408 2.044 30 40 EEEB CC(C)(C)OC(=O)NCC(=O)N[C@H]1C/C(=N\O)c2sccc21 5714127 QPJOCIVAEUBKKN-LHEXSIKESA-N 325.390 2.012 30 40 EEEB C=C1C(=O)[C@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 245224261 UCDVIBNDYLUWFP-XIYPGBJPSA-N 332.440 2.275 30 40 EEEB N#Cc1ccc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)cc1 1889125012 MPEAJVYWNHMZRL-KRWDZBQOSA-N 329.469 2.346 30 40 EEEB CCNC(=S)N/N=C/c1cc(OC)c(OC)cc1Br 7008196 NCDQKAVNDJDWEQ-VIZOYTHASA-N 346.250 2.284 30 40 EEEB C[C@H]1CC[C@@H](C)N1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 108376143 VTLLHTXVLHZVGK-OWCLPIDISA-N 346.500 2.330 30 40 EEEB C[C@H](NC(=O)OC(C)(C)C)/C(O)=N/S(=O)(=O)c1cccs1 48448527 NOKOGUFJAXBBIN-QMMMGPOBSA-N 334.419 2.307 30 40 EEEB CN(C(=O)CNc1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1 69513573 GHCQLYUTYRQTMZ-UHFFFAOYSA-N 349.438 2.493 30 40 EEEB N#Cc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)c(F)c1 71915078 YPIWYICYSUOEKC-UHFFFAOYSA-N 325.269 2.323 30 40 EEEB CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 76878647 YCAGMWVODQMIDD-YOEHRIQHSA-N 333.407 2.207 30 40 EEEB Cc1cc(S(=O)(=O)/N=C(\O)Cc2c(C)nn(C)c2C)c(C)o1 97035220 GDWRFIWOPJXWID-UHFFFAOYSA-N 325.390 2.135 30 40 EEEB C=CC/N=C(/NCCc1cc(C)ccc1OC)NCc1cnn(C)c1 95397704 RXCHOUQXKGHPLT-UHFFFAOYSA-N 341.459 2.201 30 40 EEEB CC(C)N(CC#CCNS(=O)(=O)c1ccc(F)cc1)C(C)C 75164547 VHOICDYQFHHVQU-UHFFFAOYSA-N 326.437 2.226 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57276305 SZTUJHLYHVQZML-LPHOPBHVSA-N 343.446 2.256 30 40 EEEB C=CCN1C(=O)N[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C 12974316 MZNMTAKMAZFUAD-HNNXBMFYSA-N 344.367 2.173 30 40 EEEB C=CC(C)(C)OC[C@H](O)CN1CCN(c2ccccc2OC)CC1 12421372 QPCTZVBYKDXURB-MRXNPFEDSA-N 334.460 2.159 30 40 EEEB CC1=CC(=O)C=C(C)C1=NOC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3106627 GPCJSZWXLYSVRJ-UHFFFAOYSA-N 345.267 2.491 30 40 EEEB Nc1ccc(S(=O)(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])cc1 8581578 WVEMQFVVHNUQTB-VIFMAKFRSA-N 346.368 2.155 30 40 EEEB O=c1[nH]c2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc12 530710 LYIUMYYWDJCYKZ-RGVLZGJSSA-N 331.331 2.431 30 40 EEEB O=C(C[N+]12CCN(CC1)CC2)NC(c1ccccc1)c1ccccc1 3368572 JBLQAQGCUCTNRC-UHFFFAOYSA-O 336.459 2.038 30 40 EEEB C=C(Br)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 69590993 NCPSBDMHPFFUDY-AWEZNQCLSA-N 339.189 2.371 30 40 EEEB C=CCOc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 4064669 SPHHOWLSFQWFJE-IHPCNDPISA-N 344.455 2.405 30 40 EEEB biogenic C/N=C(\NC)NC[C@@H]1CCN(c2cccc(Br)c2)C1 65433802 TWDPJJBJBYCRNM-NSHDSACASA-N 325.254 2.070 30 40 EEEB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)n(CCC#N)n1 66247997 XABCTCJRRZAEOG-UHFFFAOYSA-N 330.413 2.395 30 40 EEEB CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 72271667 NBUTXKOMJJHQKI-CQSZACIVSA-N 328.416 2.312 30 40 EEEB CNC(=O)c1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1 97472973 QOFPPQKAELKCAG-UHFFFAOYSA-N 326.331 2.379 30 40 EEEB Cc1nn(C)c(C)c1OCC(=O)Nc1sc2c(c1C#N)CCC2 95412671 LYSCFKQQWLOIIH-UHFFFAOYSA-N 330.413 2.476 30 40 EEEB N#C[C@]1(C=O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242592434 OUMAVHIWOYLFNU-ZACQAIPSSA-N 329.352 2.474 30 40 EEEB N#Cc1nccnc1N1CCC(CNC(=O)c2ccccc2F)CC1 206601176 ALBJYAWPNNZMKL-UHFFFAOYSA-N 339.374 2.134 30 40 EEEB C=CCN(C(=O)c1ccc(SCC)nc1)[C@H]1CCS(=O)(=O)C1 68757447 IREPKIYXLYLSDS-ZDUSSCGKSA-N 340.470 2.009 30 40 EEEB N#Cc1ccc(OC[C@@H]2CN3Cc4ccccc4C[C@H]3C(=O)O2)cc1 48264135 QLTRAUNQGHLTGZ-OALUTQOASA-N 334.375 2.289 30 40 EEEB COc1ccc(CN2C[C@H](C(=O)N[C@@H](C#N)CC(C)C)CC2=O)cc1 69580678 WIRXGSOCHYVAJC-HZPDHXFCSA-N 343.427 2.098 30 40 EEEB N#Cc1c[nH]c(C(=O)NCc2cc(Br)c3c(c2)OCO3)c1 89764300 KWHFXODZSDMVIJ-UHFFFAOYSA-N 348.156 2.308 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCOc2c(OC)cc(C)cc21 72230290 ZHORKMYGWPHGNY-IAGOWNOFSA-N 342.439 2.431 30 40 EEEB C=C(Br)CNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 194090286 ZHYUHZNIFQICSP-JTQLQIEISA-N 346.250 2.443 30 40 EEEB C/C=C1\C[N@+]2(C)CC[C@]34c5cccc(O)c5N[C@@H]3[C@@H](C=O)[C@H]1C[C@H]42 254698155 PJCKBNVXZFTIME-WPMYAPKYSA-O 325.432 2.438 30 40 EEEB biogenic,in-vitro O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(O)n[nH]c1N2 12347307 PMMFXJFYXXOESY-CYBMUJFWSA-N 325.324 2.409 30 40 EEEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cscn3)C2)c1 1776001279 JHAXMPYQXKUCIG-ZDUSSCGKSA-N 328.397 2.341 30 40 EEEB C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1565553738 CYRSZEHRHORSJQ-HXUWFJFHSA-N 339.439 2.438 30 40 EEEB Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)on1 29049714 CNYGODIUOYTLOS-OAHLLOKOSA-N 328.347 2.145 30 40 EEEB CCCS(=O)(=O)NC1CCN(c2c(F)cc(C#N)cc2F)CC1 58292890 VDSYUGZFUJSEQJ-UHFFFAOYSA-N 343.399 2.135 30 40 EEEB CN1CCN(S(=O)(=O)c2ccccc2C#N)Cc2ccccc21 69162289 FGZSBCPVUVMSFA-UHFFFAOYSA-N 327.409 2.199 30 40 EEEB O=C1CCCCCN1C/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 48409735 XCOJNXZXGLEGIT-UHFFFAOYSA-N 344.820 2.388 30 40 EEEB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccccc2C#N)C1=O 6787483 YHAPMHTWCVZUPV-IBGZPJMESA-N 349.346 2.254 30 40 EEEB N#CC1(C#N)[C@H](c2ccco2)[C@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21 15998902 GQBPQIBYXRTVJF-BRWVUGGUSA-N 330.347 2.292 30 40 EEEB N#Cc1cc(N2CCC(OC[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] 97145500 QJVGBVOOSPMPQN-CYBMUJFWSA-N 331.372 2.488 30 40 EEEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(O)cc1 44890058 SVWNVDCHKYYAJL-MRXNPFEDSA-N 339.351 2.397 30 40 EEEB COc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 225494111 IZLBDXMLQDJSOQ-OAHLLOKOSA-N 338.367 2.040 30 40 EEEB COc1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1F 44907082 VDKLUGIFSWGAAP-UHFFFAOYSA-N 340.358 2.063 30 40 EEEB N#C[C@H]1CN(C(=O)CCc2cccnc2)CCN1Cc1ccccc1 74673828 OKUPDOYUBZPOSF-IBGZPJMESA-N 334.423 2.251 30 40 EEEB CC/N=C1/S[C@H](C(=O)NCCc2ccccc2)CC(=O)N1CC 100109822 RKLCRMMECYBUFL-YWMAMYRUSA-N 333.457 2.075 30 40 EEEB Cc1nc(C2(NS(=O)(=O)c3ccc(C#N)cc3)CCCCC2)no1 40498013 ISWDUPFIGSFEAW-UHFFFAOYSA-N 346.412 2.388 30 40 EEEB Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)C(=O)NC(C)C)cc2)n1 103718653 CVGLOYBRNIJFMW-KRWDZBQOSA-N 338.411 2.395 30 40 EEEB CCCN(CC#N)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1 58294609 PFOWZMMKNSPKBM-UHFFFAOYSA-N 338.429 2.011 30 40 EEEB N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccc(F)cc2)c1=O 2204494 PVVMARQVVLPOJG-UHFFFAOYSA-N 346.321 2.068 30 40 EEEB N#CCCN(Cc1ccco1)C(=O)CCS(=O)(=O)C1CCCC1 69352030 UEQNOEISYVAQJJ-UHFFFAOYSA-N 338.429 2.269 30 40 EEEB CC[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(Br)cc1 14143880 IUKGSPPFYXCRFF-LBPRGKRZSA-N 348.204 2.180 30 40 EEEB COc1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1 7015363 FUQIRSQYQJKZCS-KRWDZBQOSA-N 326.396 2.439 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c(F)c1 96007296 XWBCHMBIEGFVQD-UHFFFAOYSA-N 343.343 2.079 30 40 EEEB Cc1cc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])n[nH]1 9361020 DTSPVZZJWPPQKQ-VGOFMYFVSA-N 329.345 2.430 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2ccccc2C1 72274748 OLKQMDGXDUHYDQ-QGZVFWFLSA-N 349.434 2.470 30 40 EEEB Cc1nc2c(c(C)c1CNc1ncc(C#N)cc1Cl)c(=O)[nH]n2C 72289206 LPBJQDQHUNEGRD-UHFFFAOYSA-N 342.790 2.411 30 40 EEEB C/N=C(/NC[C@H]1CCOC1)N(C)Cc1ccc(Br)cc1 195530273 XKRHIZBLGBFTKO-CYBMUJFWSA-N 340.265 2.493 30 40 EEEB C/N=C(\NCc1ncnn1C)NCC(c1ccccc1)c1ccccc1 195533944 OJFAZAUHDMIVJI-UHFFFAOYSA-N 348.454 2.312 30 40 EEEB Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccsc1C#N 585090471 QKWNPXVUSUTJEL-QMMMGPOBSA-N 325.415 2.134 30 40 EEEB N#Cc1cccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 66240357 OCBIJACJKQRVMT-UHFFFAOYSA-N 342.362 2.128 30 40 EEEB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 71841377 MBCRZUFOIYOMCH-ROUUACIJSA-N 349.438 2.134 30 40 EEEB CSc1ncc(C#N)c(N2CCC[C@@H](COc3ncccn3)C2)n1 1889102672 JZQZVXTVPNOFRL-GFCCVEGCSA-N 342.428 2.156 30 40 EEEB COCCCNC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CCCCC2 103502813 PFFUQIFOIJUQEZ-CYBMUJFWSA-N 334.441 2.492 30 40 EEEB Cc1noc(C)c1CCC(=O)NCCNc1cccc(F)c1C#N 47332510 NYTQMUKMGQLKDR-UHFFFAOYSA-N 330.363 2.463 30 40 EEEB O=C1N/C(=N\N=C/c2ccco2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 16755488 ZZLUSLRYGSCJKP-LWLPBDFMSA-N 344.352 2.352 30 40 EEEB CCc1ccc(-c2noc(Cn3nc(C)c(C)c(C#N)c3=O)n2)cc1 8251578 LOVURYWCCLDYKZ-UHFFFAOYSA-N 335.367 2.393 30 40 EEEB CC1(C)CN(C/C(N)=N/OCc2cccc3cccnc23)CCO1 70019256 GTJMIXWCWMFJGL-UHFFFAOYSA-N 328.416 2.134 30 40 EEEB N#Cc1cnn(CCOC(=O)c2ccc3ccc(Cl)cc3n2)c1N 83941063 MHCIMULTGDMTQO-UHFFFAOYSA-N 341.758 2.396 30 40 EEEB CN(c1ccc(C#N)cn1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 71859537 VSJRVLKIEFEDES-OAHLLOKOSA-N 338.415 2.314 30 40 EEEB N#Cc1cccc(CNCc2ccc(N3CCC(CO)CC3)nc2)c1 71825313 OQCOURWSDONXCW-UHFFFAOYSA-N 336.439 2.452 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC[C@H]1C#N 72270451 AKPVXGFXTQSUDP-BBRMVZONSA-N 327.384 2.422 30 40 EEEB CSc1ccc(/C(O)=N/S(=O)(=O)N2CCc3ccccc32)cn1 78556625 ZCOLXRMYUWPBIY-UHFFFAOYSA-N 349.437 2.416 30 40 EEEB CN(CCCc1n[nH]c(N)c1C#N)c1cc(C#N)c2ccccc2n1 75094673 WNJNOCCFJNPRBU-UHFFFAOYSA-N 331.383 2.352 30 40 EEEB COc1ccc(C(=O)NC2(C#N)CCOCC2)cc1Br 75139731 GGKDCQLBAAFWHN-UHFFFAOYSA-N 339.189 2.260 30 40 EEEB N/C(=N\N=C/c1cn(Cc2ccccc2)c2ccccc12)N[N+](=O)[O-] 34857836 VOOUWMUDRGZZCC-GRSHGNNSSA-N 336.355 2.120 30 40 EEEB N#CCNC1(c2nnnn2-c2ccccc2)C2CC3CC(C2)CC1C3 35170790 FKCNLCORQWJAAO-UHFFFAOYSA-N 334.427 2.427 30 40 EEEB CC(=O)N1CCC(=NOC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 408612314 VJZMSGGBWCERFV-UHFFFAOYSA-N 339.735 2.403 30 40 EEEB C#CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 8778923 CCMTYGVVIUMSIB-WYMLVPIESA-N 340.404 2.462 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)c4cccnc4)C3)C2)c1 96218900 KVNLCBIVXHVNJQ-AZUAARDMSA-N 348.406 2.439 30 40 EEEB C[C@@H](C1CC1)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 96492668 BPPUYJRWLAJTKN-HOCLYGCPSA-N 346.500 2.187 30 40 EEEB N#Cc1ccc(OS(=O)(=O)[C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 1615586684 XHHRUTVLXKRTPZ-NEPJUHHUSA-N 335.303 2.377 30 40 EEEB Cc1nc(N2CCC[C@H](CN3CC[C@@H](O)C3)C2)c(Cl)cc1C#N 585132802 WOXOUUVBUUMOPG-UKRRQHHQSA-N 334.851 2.198 30 40 EEEB C[C@@H](NCC(=O)N(C)Cc1cc(C#N)ccc1F)[C@@H](C)n1cccn1 75133875 RALFOSCMPPBWSZ-ZIAGYGMSSA-N 343.406 2.092 30 40 EEEB C#CCOCCC(=O)[C@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 89261820 BPUYOSZSVMSJPP-LBPRGKRZSA-N 329.743 2.205 30 40 EEEB N#Cc1cc(Br)cc(S(=O)(=O)NC2C[C@H]3C[C@@H]3C2)c1 568874260 XYHFFYNSZARUKX-NXEZZACHSA-N 341.230 2.398 30 40 EEEB C=CCn1c(C)nnc1S(=O)(=O)Cc1cc(-c2ccccc2)on1 71913628 XOVMLYZZQAREAD-UHFFFAOYSA-N 344.396 2.401 30 40 EEEB CN(c1ccccc1)c1ccc(C(=O)[C@@H](C#N)C(=O)NC2CC2)cn1 102017626 AKHRFAZYNOQFAM-MRXNPFEDSA-N 334.379 2.451 30 40 EEEB N#Cc1cccc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1 102149036 KZQFZFAETCMUNB-UHFFFAOYSA-N 331.335 2.095 30 40 EEEB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 8125625 MJRROSXPFQAASB-UHFFFAOYSA-N 343.408 2.255 30 40 EEEB N#Cc1ccccc1NC(=O)CCn1cnc2cc(F)ccc2c1=O 23175178 INSULZBOWBUKNR-UHFFFAOYSA-N 336.326 2.436 30 40 EEEB Cc1noc([C@@H](C)N2CCN(Cc3ccc(C#N)cc3F)CC2)n1 69351386 GVOBXHIBPLQPTL-GFCCVEGCSA-N 329.379 2.268 30 40 EEEB Cc1noc(C)c1S(=O)(=O)Nc1ncccc1OCCCC#N 69677364 XAJGTGKRCJKCOM-UHFFFAOYSA-N 336.373 2.170 30 40 EEEB CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 69668135 ZGXPPQBCWOKUQB-IAGOWNOFSA-N 327.428 2.132 30 40 EEEB CCc1nn(C[C@@H](O)c2ccc(F)c(F)c2)c(=O)c(C#N)c1CC 69616927 DCASWQQXPWWHNI-MRXNPFEDSA-N 333.338 2.252 30 40 EEEB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)c1 69917859 FQAFBXVAXWXQCR-STQMWFEESA-N 329.404 2.451 30 40 EEEB N#Cc1ccc(OCCSc2nnnn2C2CCOCC2)cc1 71879386 FWDKVDWGCKULTG-UHFFFAOYSA-N 331.401 2.067 30 40 EEEB CS[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(CC(=O)O)C(=O)N1C 62716222 FBSTXUVQHPPNCQ-HNNXBMFYSA-N 339.800 2.455 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)NCC[C@H](O)c1ccccc1 95433287 JASHTCBKHQBOJO-INIZCTEOSA-N 330.409 2.269 30 40 EEEB N#CCOc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 147679506 CFVOMQWUOSRFTG-WJDWOHSUSA-N 333.372 2.359 30 40 EEEB O=C1C[C@H](C(=O)Nc2ccccc2)SC(N/N=C\c2ccco2)=N1 5774598 PVQSWVJASJUFDE-OMJMQIJPSA-N 342.380 2.230 30 40 EEEB C/C(=N/N=C1\NC(=O)[C@@H](CC(=O)O)S1)c1cc2ccccc2o1 16136560 VUPQMUPQHFVPQF-DTOZUZIGSA-N 331.353 2.219 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)N2CCCC2)cc1 101783130 BFTBKOAKYFFPBW-ZCXUNETKSA-N 335.473 2.274 30 40 EEEB C#CCOc1ccc(CCNC(=O)c2ccc3c(c2)OCCO3)cc1 60302510 FBGRKSNTUHTQST-UHFFFAOYSA-N 337.375 2.442 30 40 EEEB C#CCOc1c(I)cc(/C=N\O)cc1OC 100250278 FZLYMGFCLKLDPD-QPEQYQDCSA-N 331.109 2.120 30 40 EEEB N#Cc1ccc(CNC(=O)N2CCN(Cc3cscn3)CC2)cc1 56622372 IMIRXKMIJULWDQ-UHFFFAOYSA-N 341.440 2.042 30 40 EEEB C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N1c2ccccc2C[C@@H]1C 12609982 JDDXWBXZOYDQLI-QWRGUYRKSA-N 339.424 2.389 30 40 EEEB COc1cc(-n2cccc2)c(Cl)cc1/C(O)=N/S(C)(=O)=O 71892365 BKHCVUDFZPZVEW-UHFFFAOYSA-N 328.777 2.404 30 40 EEEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218411923 SGISAVLCPCVIGQ-YESZJQIVSA-N 331.368 2.268 30 40 EEEB Cc1ccc(C(=O)C2=C(O)C(=O)O[C@@]23C(=O)Nc2ccccc23)cc1 66088231 HNZHSBFVTBGNQG-LJQANCHMSA-N 335.315 2.394 30 40 EEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)ccc1O 222249088 NZZIINGTBIMOCT-UQYFJIGZSA-N 340.379 2.322 30 40 EEEB Cc1nnc(N2CC[C@H](Oc3cccnc3N(C)C)C2)c(C#N)c1C 225575250 LLUAJXLAIQYNAP-AWEZNQCLSA-N 338.415 2.084 30 40 EEEB CCS(=O)(=O)N1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 195557222 UTSPCFSMSDXZLR-GFCCVEGCSA-N 339.436 2.162 30 40 EEEB Cc1noc2ncc(NS(=O)(=O)c3cccc(F)c3C#N)cc12 96435737 GSWKZWRAGVFICI-UHFFFAOYSA-N 332.316 2.343 30 40 EEEB C=CCN1C(=O)[C@H](C)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100972527 RHZTVBRKKWEYHJ-HRYUNSTCSA-N 328.390 2.020 30 40 EEEB Cc1nnc(N2CCN(Cc3ccccc3F)CC2)c(C#N)c1C 29374163 HKOUJOJMYPDNAK-UHFFFAOYSA-N 325.391 2.426 30 40 EEEB CC(C)NC(=O)[C@H](C#N)C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 103851186 CEDDBGNTOONETO-CQSZACIVSA-N 329.400 2.062 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102654601 CYIRFOHUIPKUIU-GTINKURCSA-N 335.407 2.140 30 40 EEEB Cc1csc(CCN[C@@H](c2cccc(C#N)c2)P(=O)(O)O)n1 13016433 YQBFAEZZNTYAMU-CQSZACIVSA-N 337.341 2.332 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccncc2)nc1 5687976 HVNNVTTVHCLYSU-CPNJWEJPSA-N 347.444 2.343 30 40 EEEB Cc1nc2n(c1C)CCN(CC(=O)N(C)C1(C#N)CCCCC1)C2 97201460 JYDDQHROHPEXTB-UHFFFAOYSA-N 329.448 2.000 30 40 EEEB C[C@H](CO)NC(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1 96453586 JKZBHLCOLXMUJV-GFCCVEGCSA-N 327.359 2.420 30 40 EEEB C=CCOc1ccccc1NC(=O)c1cnc(N2CCOCC2)nc1 12204249 VESGVLCWDACWCK-UHFFFAOYSA-N 340.383 2.130 30 40 EEEB CN(CC(=O)NCc1cccc(OC(F)F)c1)c1ccc(C#N)cn1 50639483 UQXNDZHRUULXQF-UHFFFAOYSA-N 346.337 2.307 30 40 EEEB N#Cc1c(F)cccc1N1CCN(c2cc(Cl)nc(N)n2)CC1 29588784 SSRMCSIRBYFJOH-UHFFFAOYSA-N 332.770 2.050 30 40 EEEB N#Cc1cccc(CN2C(=O)[C@@H]3CN(Cc4ccccc4)C[C@H]3C2=O)c1 102048566 BVCRNYVOOFZERN-RTBURBONSA-N 345.402 2.175 30 40 EEEB C[C@H](C#N)CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 106797268 BDEZPEAVKXUZGM-KGLIPLIRSA-N 349.456 2.139 30 40 EEEB N#Cc1ccc(NC(=O)CCN2CCN(c3nccs3)CC2)cc1 12791225 OKWSNWYJSJXAHR-UHFFFAOYSA-N 341.440 2.166 30 40 EEEB C=CCN/C(=N\C1CC1)NCc1ccc(CN2CCCC2=O)cc1 75583343 BKGMEVXOLWCYIR-UHFFFAOYSA-N 326.444 2.193 30 40 EEEB COc1ccc2c(c1)N(C[C@H](O)COc1ccc(C#N)cc1)CCO2 75954986 CYBVUCKOZNJGQO-HNNXBMFYSA-N 340.379 2.206 30 40 EEEB C=CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1CCOCC1 78903936 ALIDEDYYIKEYEN-UHFFFAOYSA-N 334.441 2.303 30 40 EEEB CS(=O)(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 97103050 ZNJOCXPKKRACBC-NSHDSACASA-N 347.362 2.095 30 40 EEEB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cc(C#N)ccc1=O 332663542 QDTSILKVPBJBJF-CQSZACIVSA-N 327.409 2.317 30 40 EEEB N#Cc1ccccc1OCC(=O)NCc1nccn1Cc1ccccc1 96431607 NCOGQJGKEKGKHY-UHFFFAOYSA-N 346.390 2.498 30 40 EEEB CCS[C@H](C)C[C@H]1CC(N2CCOCC2)=CC(=O)[C@@H]1C(=O)OC 5467554 SRAPBEIRSKNNIS-DVOMOZLQSA-N 341.473 2.112 30 40 EEEB CCCCN1CCOB(c2ccc(Br)cc2F)OCC1 209773233 HVYLUBDCXFHYEM-UHFFFAOYSA-N 344.033 2.432 30 40 EEEB N#CC1(C(=O)N[C@H]2COCc3c2cnn3C2CCOCC2)CCCC1 1565555826 QHLYDZMIPGWNFY-HNNXBMFYSA-N 344.415 2.006 30 40 EEEB C=CCn1c(N)cc(=O)nc1S[C@H](C)C(=O)Nc1ccccc1 798420 ZRWIIVQZFBKGFP-LLVKDONJSA-N 330.413 2.131 30 40 EEEB Cc1cn2nc(N3CC[C@@H](CNc4ccc(C#N)cn4)C3)sc2n1 65478129 NKCWZKWDWVDZET-ZDUSSCGKSA-N 339.428 2.304 30 40 EEEB Cc1cc(C)cc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c1 4575320 RMGIICOYSJSCAG-UHFFFAOYSA-N 343.339 2.454 30 40 EEEB Cc1ccc(C(=O)N[C@@](C)(C#N)Cn2cc(Br)cn2)cn1 72298006 BDDCBBCTLGRMFS-AWEZNQCLSA-N 348.204 2.061 30 40 EEEB CC(C)[C@H](CC#N)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 72310790 BLAOWZORQVCAIZ-JSGCOSHPSA-N 344.367 2.250 30 40 EEEB C#CCOC[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 49031853 DEKDNSSFNBNJLB-GFCCVEGCSA-N 329.368 2.015 30 40 EEEB COc1cnccc1[C@@H](C)/N=C(/O)C(C)(C)S(=O)(=O)C1CC1 328915018 QOHWYEKXWTXJSD-SNVBAGLBSA-N 326.418 2.464 30 40 EEEB CC(C)N(CC#CCNS(=O)(=O)Cc1cccc(F)c1)C(C)C 75164567 BYORFGXVDPMKFO-UHFFFAOYSA-N 340.464 2.367 30 40 EEEB COCCN1CCN(C(=O)c2ccc(C#N)cc2)Cc2cccnc21 96198865 ZKLWEDCGVUXZGW-UHFFFAOYSA-N 336.395 2.062 30 40 EEEB C=CCN1CCC(Nc2cc(C(C)=O)ccc2S(C)(=O)=O)CC1 96501069 LIGULIZBNSYFFW-UHFFFAOYSA-N 336.457 2.355 30 40 EEEB N#Cc1cccnc1N1CCCN(C(=O)COC2CCCCC2)CC1 55742648 FTAAJTYLVASEQL-UHFFFAOYSA-N 342.443 2.341 30 40 EEEB C=CCN1C(=O)[C@H](CC(=O)NCC)S/C1=N\c1ccccc1OC 13151517 LXIBRPYFYNZIKO-STGLLQLASA-N 347.440 2.339 30 40 EEEB CCCC[C@]1(C)C[C@]2(C)C3=C(O1)C(=O)[C@H](C)OC3=C(O)C(=O)[C@H]2O 31163869 LWSJDCYEVJLGHQ-UBHOCCDRSA-N 336.384 2.317 30 40 EEEB biogenic,in-vitro N#Cc1cccc(S(=O)(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1 71914639 LEZIWPDIOGRZCX-CYBMUJFWSA-N 342.376 2.325 30 40 EEEB Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)o1 43720234 XUYLVYJSCALRTF-CQSZACIVSA-N 339.399 2.448 30 40 EEEB CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C#N)cc1 26830765 UJXKSPRBOPMDSG-UHFFFAOYSA-N 331.353 2.287 30 40 EEEB COc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1OCC(=O)O 409086238 QEDQTVGCKANVTI-OQFOIZHKSA-N 325.704 2.128 30 40 EEEB COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)c(OC)c1C 409350055 SKFHVGCNUQEBTB-UHFFFAOYSA-N 339.351 2.310 30 40 EEEB O=S(=O)(N/N=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1 6333301 ZISOLDRULXIYKS-OVCLIPMQSA-N 326.761 2.064 30 40 EEEB N#CC1(NC(=O)Cc2ccc(-n3cccn3)cc2)CCSCC1 95440082 LQFBEDAMLPZCOA-UHFFFAOYSA-N 326.425 2.320 30 40 EEEB C#CCN1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 78878299 ZYGOKJOHMVOSDR-UHFFFAOYSA-N 341.455 2.371 30 40 EEEB N#Cc1cccc(OCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 47368627 PNXBASFMFSSFPV-UHFFFAOYSA-N 337.291 2.141 30 40 EEEB C=CCNc1nnc(SCc2cc(=O)n3ccsc3n2)s1 5783161 PPOPFRSKFBMTLJ-UHFFFAOYSA-N 337.455 2.498 30 40 EEEB C=CCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccco1 2948924 ARXFQOTZTGBQAS-QINSGFPZSA-N 326.352 2.361 30 40 EEEB O=C(O)C(=N\Nc1ccccc1)/C(=N\Nc1ccccc1)C(=O)O 4726623 JBCIWHUXUYBMAH-LRVMPXQBSA-N 326.312 2.092 30 40 EEEB COc1ccc(NC(C)=O)cc1NCC(=O)N[C@@](C)(C#N)C(C)C 11620281 YWEFUVRLLHOTAH-KRWDZBQOSA-N 332.404 2.120 30 40 EEEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3cccc(O)c3)cnc12 530875 QYRHVBHZDYKFMD-AWQFTUOYSA-N 334.335 2.474 30 40 EEEB N#Cc1c(COC(=O)c2ccc(CNC(N)=O)cc2)cn2ccccc12 22416203 UKTSTBDYRQAONM-UHFFFAOYSA-N 348.362 2.336 30 40 EEEB O=C(C[N+]12CCC(CC1)[C@H](O)C2)c1ccc(Br)cc1 1808736 CWOPBJCTIKKORC-YAJUMTOWSA-N 325.226 2.233 30 40 EEEB C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N1c2ccccc2C[C@H]1C 12609979 JDDXWBXZOYDQLI-MNOVXSKESA-N 339.424 2.389 30 40 EEEB C=CCNc1nc(N)c([N+](=O)[O-])c(Nc2cc(OC)ccc2OC)n1 5031452 QPNIEVBLHARUGN-UHFFFAOYSA-N 346.347 2.326 30 40 EEEB N#C[C@H](C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1 66507107 VIBYLVXZAJDKHZ-RDJZCZTQSA-N 348.406 2.273 30 40 EEEB C=CCN1C(=O)S/C(=C\c2cn(CC(N)=O)c3ccccc23)C1=O 409147506 WYQKXYVZSCOGOT-ZSOIEALJSA-N 341.392 2.349 30 40 EEEB N#CC1(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)CCCCC1 71841490 JTMJNHXLBWGQCZ-AWEZNQCLSA-N 331.391 2.060 30 40 EEEB C=CCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl 409040727 HWTRIKZAUSUBSM-UHFFFAOYSA-N 341.150 2.308 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/Cc3ccccc3)C2=O)c1 408526509 CMOMWYWFPLAKST-DORSJAEJSA-N 335.363 2.465 30 40 EEEB CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@H]1C(C)(C)CCC[C@]21C 34182974 QPJRFHRTQNTKHS-ZNWBIBPKSA-N 348.439 2.471 30 40 EEEB C=CCN(Cc1cccs1)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 330032359 MHRNKNHAMVQDKE-CQSZACIVSA-N 339.482 2.478 30 40 EEEB N#CCc1ccc(OCCNC(=O)[C@H]2Cc3cccc(F)c3O2)cc1 96425177 JHADYXFAUBHRPT-QGZVFWFLSA-N 340.354 2.390 30 40 EEEB C=CCN1C(=O)CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1)C2 96229960 CWASUPONNYHEBQ-SFHVURJKSA-N 348.468 2.408 30 40 EEEB C=C(C)CN(CC)C(=O)c1cnc(I)c(O)c1 585130771 BOZHXBRFCWRTJF-UHFFFAOYSA-N 346.168 2.430 30 40 EEEB O=C(Cn1cccn1)NCC#CCOc1cccc(C(F)(F)F)c1 85474083 BUPGZZFNBPITRB-UHFFFAOYSA-N 337.301 2.101 30 40 EEEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)c1 575402406 ABEBWEYUTTVJNW-KRWDZBQOSA-N 349.390 2.406 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C=NC(=N)S2)cc1 5597910 AOHHUUGKHKYFHY-MZTWCINRSA-N 339.446 2.195 30 40 EEEB N#Cc1c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)sc2c1CCCC2 4392493 PJJSTKHBSBBAPZ-JTQLQIEISA-N 338.454 2.262 30 40 EEEB N#Cc1cccc(N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)n1 1888844397 SZPQTLMMIUTQOO-GASCZTMLSA-N 332.411 2.193 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NCCS(=O)(=O)c1ccccc1 40549362 RVNYDUMUPCSARU-UHFFFAOYSA-N 331.353 2.352 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cccn2)nc1 55103650 TXZAGXZADMUUJP-AWEZNQCLSA-N 347.378 2.223 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Nc1ccc(-n2cncn2)c(F)c1 58331946 PWAZAZWXSOHHOT-UHFFFAOYSA-N 343.343 2.079 30 40 EEEB CC(C)(NCC(=O)NC1(C#N)CCCC1)c1ccc2c(c1)OCCO2 58345397 LZOSNSFTDFAFRD-UHFFFAOYSA-N 343.427 2.235 30 40 EEEB N#Cc1c2c(c(=O)oc3ccccc32)c(=O)n2nc3n(c12)CCCCC3 3308482 MQGVFSISODEARV-UHFFFAOYSA-N 346.346 2.354 30 40 EEEB C[C@@H](CN1CCCC1=O)NC(=O)CCSc1ccc(C#N)cc1 69744821 VAAPXMJFDBLAAE-ZDUSSCGKSA-N 331.441 2.168 30 40 EEEB CN(C)c1ccc(CNC(=O)NCc2ccc(C#N)cc2F)cn1 71858796 IACMUICVILHLBW-UHFFFAOYSA-N 327.363 2.158 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)NCC[S@](=O)c2ccccc2)c1 76087563 DAWZAUFBZDMUBW-XMMPIXPASA-N 345.399 2.304 30 40 EEEB C[C@H](CCc1ccccc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 95966249 RJFMHXFAUDIOSC-OAHLLOKOSA-N 335.407 2.426 30 40 EEEB C[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1F 195557216 RWWXNCDYLWRORM-GFCCVEGCSA-N 347.415 2.238 30 40 EEEB C[C@H](C1CC1)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 91534368 KBGXCZZEGKPGQH-APWZRJJASA-N 340.471 2.126 30 40 EEEB N#Cc1cccc(CN2CCc3[nH]nc(C(=O)N4CCCC4)c3C2)c1 96187389 PSVZAMRINFQLAD-UHFFFAOYSA-N 335.411 2.076 30 40 EEEB N#Cc1ccc(CCC(=O)N2CCC(CN3CCOCC3)CC2)cc1 48483290 QHBKLFVPAJPBTO-UHFFFAOYSA-N 341.455 2.062 30 40 EEEB Cc1ccc(/C(O)=N/S(=O)(=O)c2ccccc2Cl)c(=O)[nH]1 62674837 CACIWXPRPHQZHB-UHFFFAOYSA-N 326.761 2.030 30 40 EEEB C#CCN1CCC(C(=O)NC2CCN(c3ccccc3)CC2)CC1 69510772 DBMQHJDMYQYIPR-UHFFFAOYSA-N 325.456 2.117 30 40 EEEB N#CC1(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CCCC1 107362783 UXINQEUBXGOEGU-QZTJIDSGSA-N 339.439 2.182 30 40 EEEB CCOC(=O)/N=C(\NC(=O)OCC)c1ccc(N2CCOCC2)cc1 5585689 AYELJCFFPVFWII-UHFFFAOYSA-N 349.387 2.172 30 40 EEEB COc1cc(C(=O)ON=C2C[C@@H]3CC[C@@H](C2)N3C)cc(OC)c1OC 100243574 VRJOZKQKYDFLGF-KBPBESRZSA-N 348.399 2.482 30 40 EEEB biogenic,in-vitro C=CC[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)OCC)[C@@H]3C=C[C@]21O3 100617021 SWEOKISNCSPDIY-YPLULLRNSA-N 339.391 2.481 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCC(=O)OC(C)C 10669479 CUNLKYWUTLESIZ-UHFFFAOYSA-N 329.356 2.322 30 40 EEEB N#Cc1cn(Cc2ccc(Oc3ccc(F)cc3)nc2)c(=O)nc1O 48229395 FBPKFGTZHNZTCP-UHFFFAOYSA-N 338.298 2.195 30 40 EEEB CC[C@@]1(C)NC(=O)N(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O 3431892 DIVNTJMKZUEXIX-WXYNBALXSA-N 340.723 2.008 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)NC1CC1 8185012 WDWMMKMZQCDVHI-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB COCCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 4028578 MUTNTWORRQUWBW-AUTURXRWSA-N 337.460 2.140 30 40 EEEB biogenic Cc1ccccc1[C@H](C#N)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 66405917 UXRQRPRPYFYBEF-YPMHNXCESA-N 339.317 2.087 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CN(CCO)[C@@H]1CCCc2ccccc21 69772473 QAXPVIXJVNVCKE-UYAOXDASSA-N 343.471 2.413 30 40 EEEB CC1(C)C[C@]2(CCO1)/C(=N/c1ccccc1)N=C(S)N2CC(N)=O 18066071 FFPCTLSZIVPMCO-QGZVFWFLSA-N 346.456 2.131 30 40 EEEB C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C(C)(C)CO1 96002037 PZYKEMNYNVFTHV-SNVBAGLBSA-N 328.821 2.400 30 40 EEEB C[C@@H]1CCC[C@](C#N)(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 76066098 RSJGTVFADNZUFV-YJYMSZOUSA-N 338.411 2.486 30 40 EEEB N#Cc1cccnc1N1CCCN(C(=O)c2ccc(O)cc2F)CC1 195569656 ROEVLRRGISGYMV-UHFFFAOYSA-N 340.358 2.150 30 40 EEEB N#Cc1ccc(C(=O)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)cc1 97954363 RCDZSFGGBQUAMB-OTWHNJEPSA-N 349.390 2.009 30 40 EEEB Cc1ccc2cc(C(=O)N(C)CCCc3n[nH]c(N)c3C#N)ccc2n1 96492436 RHKNNQJTSKMQGD-UHFFFAOYSA-N 348.410 2.425 30 40 EEEB C=CCn1c(C)nn(CN2CCC[C@H](NC(=O)OCC)C2)c1=S 54518196 YMGRGFVARQUESB-ZDUSSCGKSA-N 339.465 2.077 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCCC2 102762174 SYLKYQVZVIIAOI-OAHLLOKOSA-N 336.395 2.128 30 40 EEEB Cn1c(Oc2ccc(Cl)c(Cl)c2)c(C#N)c(=O)n(C)c1=O 22194243 APGHSNCNACEJKX-UHFFFAOYSA-N 326.139 2.055 30 40 EEEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/[C@@H]2CCS(=O)(=O)C2)o1 1103189 QOGIMXDROXUXQT-LKBVRNOZSA-N 334.353 2.461 30 40 EEEB N#Cc1ccc(OCCSc2nnnn2-c2ccc(O)cc2)cc1 12778920 GSFITBDNKUEGPX-UHFFFAOYSA-N 339.380 2.411 30 40 EEEB CN(CCN(C)C1CCCCC1)c1ncnc2c1cnn2CCC#N 65538522 ZYJMVGDFLDJRAS-UHFFFAOYSA-N 341.463 2.441 30 40 EEEB N#Cc1cn(CC(=O)N2CCOCC2)c2ccc(Br)cc12 18190713 NJNMUUJAOAYSBE-UHFFFAOYSA-N 348.200 2.134 30 40 EEEB C#CCOc1ccc(CCNC(=O)N2CCC3(CCOCC3)C2)cc1 95404548 DHZGMNDJCQZWCD-UHFFFAOYSA-N 342.439 2.453 30 40 EEEB C=CCn1cnnc1SCC(=O)N[C@H](C)c1ccc2c(c1)OCO2 9912003 FWEDNGXDIGAVSY-LLVKDONJSA-N 346.412 2.162 30 40 EEEB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(N)=S)c1C 33648417 FDITYNKSUPWSHW-CAOOACKPSA-N 331.401 2.478 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 72331295 RKMAURQHHQCPFX-UHFFFAOYSA-N 349.390 2.245 30 40 EEEB CCCCCCCC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 521394159 NJGMKKJKSZRXPP-CABCVRRESA-N 328.428 2.145 30 40 EEEB COc1cccc(CN(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)n1 225608940 XUHOBWDSMSYROC-UHFFFAOYSA-N 347.378 2.420 30 40 EEEB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 44866625 BJPHTYARZAKEJM-DZGCQCFKSA-N 330.384 2.127 30 40 EEEB CCc1ccc(C(=O)C2=C3SCCN3C(=O)[C@H]2CC(=O)O)cc1 95920190 BJFVSIROMMVTKE-LBPRGKRZSA-N 331.393 2.323 30 40 EEEB N#Cc1ccc(F)c(CNS(=O)(=O)c2cc(F)ccc2F)c1 96428633 AGPFASOGQBAJEI-UHFFFAOYSA-N 326.299 2.454 30 40 EEEB Cc1nn(CC(=O)Cc2c(F)cccc2Cl)c(=O)c(C#N)c1C 44978244 PDMLBRVHLTYUFE-UHFFFAOYSA-N 333.750 2.336 30 40 EEEB N#Cc1ccc(N2CCC[C@@H](Nc3ccc4c(c3)C(=O)NC4)C2=O)cc1 97233364 MIJBUVAPPJFLPO-GOSISDBHSA-N 346.390 2.409 30 40 EEEB Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2nccnc2C#N)C1 583337363 SNGCMQUMZKMTCE-JTQLQIEISA-N 336.321 2.485 30 40 EEEB C#CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C#C)cc2)cc1 1857793583 VOIQMHCQMJPDRI-UHFFFAOYSA-N 346.385 2.208 30 40 EEEB CC(C)(C)c1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1 21486932 PDPGKKOUYSVOOH-XSFVSMFZSA-N 348.516 2.114 30 40 EEEB COC(=O)c1sccc1S(=O)(=O)/N=C(\O)CC[C@H]1CCCO1 48513686 ZHRQMHPLEZCFDZ-SECBINFHSA-N 347.414 2.139 30 40 EEEB Cc1oc(NC(=O)CN2CCCC[C@@H]2Cn2cccn2)c(C#N)c1C 69631969 KGMZOAWEBYEODF-OAHLLOKOSA-N 341.415 2.458 30 40 EEEB O=S(=O)(/N=C(\O)c1cscn1)c1ccccc1OC(F)F 95349745 VRIPIWLDHCZXKO-UHFFFAOYSA-N 334.325 2.438 30 40 EEEB CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)nc1 95941013 KVDWGJBVGDVNPY-UHFFFAOYSA-N 336.804 2.473 30 40 EEEB N#Cc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 23955918 SQCYXUVQTCXRTI-UHFFFAOYSA-N 335.407 2.320 30 40 EEEB CCN(C[C@H](C)C#N)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 40539802 CTQKYRQDHDHZDI-UTSBKAFOSA-N 335.429 2.079 30 40 EEEB CN([C@]1(C#N)CCOC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 194701132 XPSHKSTVWITAJK-ZDUSSCGKSA-N 349.239 2.438 30 40 EEEB N#Cc1cc(N2CCN(CC(F)F)CC2)nc2ccc([N+](=O)[O-])cc12 96429306 IQKURRZEVMAZPG-UHFFFAOYSA-N 347.325 2.402 30 40 EEEB CCc1nn(C[C@H]2COc3ccccc3O2)c(=O)c(C#N)c1CC 585081084 JCTWDPXGSNHFKP-LBPRGKRZSA-N 325.368 2.080 30 40 EEEB CC/N=C1\S[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)CC(=O)N1CC 18178409 QENDNHQQFYSJMC-WGKGOADCSA-N 349.412 2.053 30 40 EEEB C#CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40506391 JPDMNOUNSXMVBV-CYBMUJFWSA-N 325.195 2.347 30 40 EEEB N#Cc1ccccc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 46034551 FUJXFJCELKVYNP-UHFFFAOYSA-N 341.436 2.459 30 40 EEEB COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](Cc2cnn(C)c2)C1 107587328 GZICZUJDAHHEKD-CRAIPNDOSA-N 338.411 2.070 30 40 EEEB C=CCOc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1OC 10268695 LFMUNXOXWFFCPX-QGZVFWFLSA-N 340.379 2.216 30 40 EEEB N#Cc1ccccc1CN1CCC(C(=O)NC[C@H]2CCCO2)CC1 27620352 HFOXTBDFEXXGDM-GOSISDBHSA-N 327.428 2.065 30 40 EEEB C[C@@]1(c2ccsc2)NC(=O)N(CCOc2ccccc2C#N)C1=O 58293154 XCBFDZJIMKINOB-KRWDZBQOSA-N 341.392 2.466 30 40 EEEB COc1cc(C/N=C(/N)NCC2CCC2)ccc1OC[C@@H]1CCCO1 69809874 UNGIEVRXUNNBBW-INIZCTEOSA-N 347.459 2.457 30 40 EEEB CS[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 65592756 JZBIQWRPQNPKJV-ZWNOBZJWSA-N 335.454 2.150 30 40 EEEB COCCCNC(=O)CN(C)c1ccc(C#N)cc1C(F)(F)F 78824872 NXFRKMHLPKHNLN-UHFFFAOYSA-N 329.322 2.166 30 40 EEEB CC(C)OCC/C(O)=N/S(=O)(=O)N1CCc2sccc2C1 71859312 SCOLXYAICAFFPP-UHFFFAOYSA-N 332.447 2.123 30 40 EEEB N#Cc1ccc(C(=O)NC[C@H](CO)Cc2ccc(Cl)cc2)nc1 95407026 IVNDJUSASICVGM-CQSZACIVSA-N 329.787 2.188 30 40 EEEB Cc1[nH]c(=O)ccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 95979685 HCMSVOYJBWMCBM-CYBMUJFWSA-N 346.184 2.441 30 40 EEEB COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409340989 BTPOJMGAEIVHJK-UHFFFAOYSA-N 325.324 2.002 30 40 EEEB C#CCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC 32110011 YPBNYIAKRFVKAD-XNTDXEJSSA-N 344.392 2.204 30 40 EEEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1nn(C)c2ccccc12 96041548 LBGLXEINWKFWMW-LZLYRXPVSA-N 341.411 2.148 30 40 EEEB C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CC1 96439939 WJTCBMGRNDIOEZ-CQSZACIVSA-N 347.507 2.308 30 40 EEEB CCOc1ccc(/C(O)=N/c2nnnn2CC)cc1Br 514917 UCMCMXPHARNXGB-UHFFFAOYSA-N 340.181 2.491 30 40 EEEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 154673126 OALKWQPZQXIUER-UHFFFAOYSA-N 341.415 2.247 30 40 EEEB O=c1[nH]c(O)c(/C=N/c2cccc(F)c2)c(=O)n1-c1ccc(F)cc1 104228303 XNWMSZSBJRMPSL-AWQFTUOYSA-N 343.289 2.260 30 40 EEEB C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)NC(=O)c1ccoc1 58290372 MRHUHGVFYBIBCU-CYBMUJFWSA-N 328.343 2.199 30 40 EEEB N#Cc1cccnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 58343106 ZWNLMWZRWITDCO-HNNXBMFYSA-N 325.347 2.493 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1 7726757 GPFRMFYEOSMZQC-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB Cc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCO3)C1=C(CCCC1=O)N2 72471334 ZXBUCJBUMKMSOY-KRWDZBQOSA-N 338.367 2.380 30 40 EEEB C/C(=N\Nc1ccc(S(N)(=O)=O)cn1)[C@H]1C[C@@H]1c1ccccc1 98055459 CETZNXHVTIZLGP-ACIMENLPSA-N 330.413 2.321 30 40 EEEB N#Cc1ccc(CN2CCCN(Cc3cn4cccnc4n3)CC2)cc1 124410240 DKLMGBROGWDETD-UHFFFAOYSA-N 346.438 2.309 30 40 EEEB C/N=C(/NC[C@@H]1CCOC1)N(C)CCOc1ccc(Cl)cc1 195530274 TVKPLLBOQHHABB-ZDUSSCGKSA-N 325.840 2.263 30 40 EEEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)nn1CC)C2 96039746 IUGYMXLQVXCBSK-MJGOQNOKSA-N 347.459 2.425 30 40 EEEB COc1ccc(C#N)cc1NC(=O)NC[C@H](O)COc1ccccc1 50107769 RBYQEDFUSYFHOP-AWEZNQCLSA-N 341.367 2.128 30 40 EEEB COc1cc(/C=N/n2c(=S)[nH]nc(C)c2=O)ccc1OC(C)C 79409 NEEQCQRXNOEINO-LZYBPNLTSA-N 334.401 2.287 30 40 EEEB C/N=C1\S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)N1C 15013595 NPTDQXSUQZRHQJ-MNTGGVIJSA-N 335.404 2.194 30 40 EEEB COC(=O)CC/C(=N\Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC 16189763 LGDLZCWMSGUCMP-OQLLNIDSSA-N 343.723 2.142 30 40 EEEB CC(C)(C)CCS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 330780556 DVINVUYIWDOKMY-KRWDZBQOSA-N 349.500 2.462 30 40 EEEB CCN1CCN(c2oc(COc3ccc(F)cc3)nc2C#N)CC1 108389 RETXGXVBOJOZFK-UHFFFAOYSA-N 330.363 2.406 30 40 EEEB COC(=O)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 1443350 QPDBPATWMFESGD-ZDUSSCGKSA-N 343.360 2.401 30 40 EEEB CN(C)c1ccc([C@H]2C3=C(CCCC3=O)OC(N)=C2[N+](=O)[O-])cc1 6247535 JBESAKZCLVLGPJ-AWEZNQCLSA-N 329.356 2.278 30 40 EEEB N#Cc1ccc(N2CCC(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 32857659 OBDHDQZJODKAOG-UHFFFAOYSA-N 328.372 2.305 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)Cn1c(S)nnc1CCC 58265983 QRYJDKAYYMKTDC-UHFFFAOYSA-N 342.468 2.490 30 40 EEEB COc1ccccc1/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O 12637053 CJNQQXREWJVCAU-PXNMLYILSA-N 325.320 2.176 30 40 EEEB biogenic Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCO2)cc1 69282245 CSYKIHZXFJIZAP-STQMWFEESA-N 327.402 2.224 30 40 EEEB N#Cc1ccc(OC[C@H]2CN3Cc4ccccc4C[C@@H]3C(=O)O2)cc1 48264137 QLTRAUNQGHLTGZ-RTBURBONSA-N 334.375 2.289 30 40 EEEB C=CCSCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 69414536 CDIVCJWHNZRYPS-MRXNPFEDSA-N 332.469 2.256 30 40 EEEB COc1ccc(CCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5020344 NMFWGPFSVCZVAP-UHFFFAOYSA-N 348.406 2.326 30 40 EEEB Cc1cnn(C[C@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)c1 71875801 SZQHXESZWDSLPP-QGZVFWFLSA-N 343.475 2.341 30 40 EEEB CC(C)Cc1nnc([C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)o1 71896951 OMECKCBPXXVKNR-AWEZNQCLSA-N 340.431 2.418 30 40 EEEB CN([C@H](CCO)c1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 89310232 NXLIBSKACHCGHQ-GOSISDBHSA-N 344.436 2.444 30 40 EEEB Cc1ccc2cc(C#N)c(NCCNC(=O)c3cnccn3)nc2c1 35312172 GZOABDQNFMWOSN-UHFFFAOYSA-N 332.367 2.047 30 40 EEEB Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 377933820 XPAZVLVERGMTSO-OAHLLOKOSA-N 330.457 2.054 30 40 EEEB Cc1nc(C)c(CC/C(O)=N/C[C@@H](C)N2CCCCC2=O)c(O)n1 330031652 BZGTVKNFALPPBI-LLVKDONJSA-N 334.420 2.089 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)c4ccncc4)C3)C2)c1 96218912 CZVCZVKRHWCXCU-QUCCMNQESA-N 348.406 2.439 30 40 EEEB Cc1csc(C2=C(N)N(c3ccc4oc(=O)ccc4c3)CC2=O)n1 13689781 JICVDXUCUXDCFC-UHFFFAOYSA-N 339.376 2.275 30 40 EEEB CC(C)c1nc(N2CCN(c3ccc(C#N)cn3)CC2)nc(O)c1F 1888866871 MWNKFKYKTFWZTD-UHFFFAOYSA-N 342.378 2.038 30 40 EEEB CCOc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1OC 102970767 VJXREUVHQVURMO-UABRLCRWSA-N 330.336 2.322 30 40 EEEB COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc(OC)c1C 104055644 AMJQDIDRMPTTPL-ZDUSSCGKSA-N 339.351 2.368 30 40 EEEB N#C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 104394473 XWDJWHWVFZBUOW-FUHWJXTLSA-N 349.390 2.083 30 40 EEEB CCN1CCCC[C@H]1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 106872434 AMTDIDQDPUHVNA-CABCVRRESA-N 335.448 2.135 30 40 EEEB Cc1ccsc1CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 43750507 LTAABVYYRJLLHM-UHFFFAOYSA-N 329.425 2.482 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1ccco1 44913114 FLBAFMGNJAYFBX-LLVKDONJSA-N 327.384 2.136 30 40 EEEB Cc1ccc(C[C@H](C#N)Sc2nnnn2C[C@H]2CCCO2)cc1 48324092 DRNCYVQQMQYIBL-HUUCEWRRSA-N 329.429 2.388 30 40 EEEB CCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 69625827 NVLKXVWQUNKSGE-UHFFFAOYSA-N 336.392 2.032 30 40 EEEB Cc1ccn(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c(=O)c1C#N 97094691 BAQYXJIGMRWDPG-UHFFFAOYSA-N 346.390 2.095 30 40 EEEB Cc1cc(C)c2nc(NC3=NCN(CCS)CN3)nc(C)c2c1 20634439 NTYLHEKFMQLHAM-UHFFFAOYSA-N 330.461 2.073 30 40 EEEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218400385 KZDUVAMHEDGNLN-RCCFBDPRSA-N 326.421 2.464 30 40 EEEB C/N=C(/NCc1ccon1)N[C@@H]1CCCN(c2cc(C)ccc2F)C1 96462463 PKICULADOIPRPK-OAHLLOKOSA-N 345.422 2.456 30 40 EEEB CC(=O)N1C[C@H](Nc2nc(C)cc(C#N)n2)CC[C@H]1C(F)(F)F 583616859 ZTRGIYVYCSCCKN-PWSUYJOCSA-N 327.310 2.010 30 40 EEEB N#Cc1cc2c(nc1SCC(=O)N[C@@H]1CCSC1=O)CCCC2 270518498 ZMUUOGYWYKURTC-CYBMUJFWSA-N 347.465 2.072 30 40 EEEB N#C[C@@H](CS(=O)(=O)NCCCc1ccccc1)C1CCOCC1 1615549988 OWXMBQKSHOOBJJ-KRWDZBQOSA-N 336.457 2.105 30 40 EEEB N#Cc1ccccc1/C=C/C(=O)N(CCO)C[C@H](O)c1ccccc1 5003975 AVJVXGILPDBDGV-VYENPZKTSA-N 336.391 2.126 30 40 EEEB Cc1c(/N=C2\N=C(N)c3ccccc32)c(=O)n(-c2ccccc2)n1C 3209769 PENSLHPTRBJZHS-UHFFFAOYSA-N 331.379 2.282 30 40 EEEB CCOC(=O)C1CCN(/C=C2\Oc3c(ccc(O)c3C)C2=O)CC1 12442423 ROTHPNSAWZJWFA-GDNBJRDFSA-N 331.368 2.392 30 40 EEEB C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)O)S1)c1ccc(OC(C)C)cc1 12651118 AJUFRNLOQAHIQY-HVOBPNNYSA-N 349.412 2.260 30 40 EEEB Cc1ccc(F)cc1NC(=O)Cc1c(C)nc2c(C#N)cnn2c1O 40536380 JYPQVMRRCDSFHD-UHFFFAOYSA-N 339.330 2.244 30 40 EEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccccc2)C1=O 20820024 CVSPIINGVBSDOA-IBGZPJMESA-N 335.363 2.404 30 40 EEEB C=CC[n+]1c(-c2ccc(NS(C)(=O)=O)cc2)cn2ccccc21 387329 QZNIODKQIQFMPW-UHFFFAOYSA-N 328.417 2.451 30 40 EEEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)[C@@H]1COc2ccccc21 71905040 LJCKVNJZRWNGNS-DGCLKSJQSA-N 325.386 2.018 30 40 EEEB CN(CCCOc1cccc(S(C)(=O)=O)c1)c1ncccc1C#N 57856678 OSXQXPHTPVFHKE-UHFFFAOYSA-N 345.424 2.262 30 40 EEEB C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 12532489 AGRUDXTXTSFQDT-UHFFFAOYSA-N 346.383 2.298 30 40 EEEB COc1ccc([C@]2(C)NC(=O)N(/N=C/c3ccccc3O)C2=O)cc1 3579554 SKOXRUCSUOSRBH-PYJSORCASA-N 339.351 2.202 30 40 EEEB N#CC1(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CCCC1 71812665 JOGANQQBAGODAS-MRXNPFEDSA-N 337.423 2.481 30 40 EEEB C#CCOc1cc(F)ccc1NC(=O)NCc1nnc2ccccn12 72303961 RGEFNCDVAJIDGS-UHFFFAOYSA-N 339.330 2.202 30 40 EEEB C[C@@H](CC#N)NS(=O)(=O)c1ccc(C#N)cc1N1CCCCC1 1615050830 BISSJRKFAPEYAZ-ZDUSSCGKSA-N 332.429 2.129 30 40 EEEB COC(=O)C1(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CCCCC1 25172758 NPXMJCBNYTVPCH-CYBMUJFWSA-N 330.384 2.318 30 40 EEEB N/C(=N/O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 5392759 FRUQVVHSJYBWKU-UHFFFAOYSA-N 325.777 2.235 30 40 EEEB N#Cc1cccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 7046675 IIFOLFNMBLVNSL-UHFFFAOYSA-N 325.368 2.206 30 40 EEEB C#CCNC(=O)N(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 69980088 KEGFBODWHVGSQN-UHFFFAOYSA-N 329.448 2.152 30 40 EEEB C/N=C(/NCc1nncn1C)NCC(C)(C)Cc1cccc(Cl)c1 97021933 JLZRTCXIBLIGSD-UHFFFAOYSA-N 348.882 2.402 30 40 EEEB COCCN(CC(F)F)S(=O)(=O)c1ccc(Cl)cc1C#N 72301959 QPKXTPZNKRELRG-UHFFFAOYSA-N 338.763 2.114 30 40 EEEB C=CCN/C(=N\C1CCOCC1)NCCc1cc(C)ccc1OC 72741639 IBNKVKHDAPOEEB-UHFFFAOYSA-N 331.460 2.446 30 40 EEEB C=CCNc1ncc(C(=O)N[C@H]2CCN(c3ccccn3)C2)s1 95435668 NATNYQYRSWIFTR-LBPRGKRZSA-N 329.429 2.145 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)C1CCCCC1 70636809 HMLOQLVHRWHRNO-OAHLLOKOSA-N 349.818 2.208 30 40 EEEB Cc1ccc(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc1 96491098 VTFVEPOXOSQFHL-HNNXBMFYSA-N 332.473 2.175 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 252515403 JPIYBDSJJAMLLX-ZMSDIMECSA-N 335.425 2.223 30 40 EEEB C[C@@H]1CC(=O)C2=C(CC[C@]3(O)[C@H]2C(=O)c2cccc(O)c2[C@H]3O)C1 253390016 CRULJZWXPCYLAC-GQYSYLFMSA-N 328.364 2.059 30 40 EEEB biogenic,in-vitro CS(=O)(=O)Nc1cccc(C(=O)OCc2ccc(C#N)cc2F)c1 11387289 HFDQZYVQTSVSMF-UHFFFAOYSA-N 348.355 2.426 30 40 EEEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OC)cc23)CC1 20718331 DXFWEXAITRLTLI-GOSISDBHSA-N 343.427 2.496 30 40 EEEB COCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(C(F)(F)F)c1 103502795 ZUCVTNOKMWRXOG-LBPRGKRZSA-N 328.290 2.181 30 40 EEEB N#Cc1ccc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)cc1 48261212 YZAGKVUWWXFDPH-UHFFFAOYSA-N 335.411 2.117 30 40 EEEB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC#N)nc2c1 6374477 PWOTVURIMCGPEF-UHFFFAOYSA-N 331.397 2.455 30 40 EEEB COC(=O)c1ccc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)o1 69845289 IPWZOFXFIZCASX-UHFFFAOYSA-N 348.380 2.484 30 40 EEEB CN1CCc2c(sc(/N=C/c3nc4ccccc4[nH]3)c2C(N)=O)C1 5634248 VRBGRBHWBBVTDH-UFWORHAWSA-N 339.424 2.462 30 40 EEEB Cc1cc([C@H]2CCCN2C(=O)CN(C)c2ccc(C#N)cn2)no1 71827020 UZTDXPLGUNBSBZ-OAHLLOKOSA-N 325.372 2.050 30 40 EEEB COCC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 95405760 FXMPEKJYRJFCHK-HOCLYGCPSA-N 330.432 2.019 30 40 EEEB CC(=O)C1=C(C)NC(=NC#N)N[C@H]1c1ccc(Br)cc1 408730568 ICOXJZIBBPKDMT-ZDUSSCGKSA-N 333.189 2.383 30 40 EEEB C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 131980413 AKJDEWVPGGQFPM-JTQLQIEISA-N 327.306 2.490 30 40 EEEB C/N=C(/NCC(=O)N1CCCC1)NCC1(Sc2ccccc2)CC1 95405801 RNGFDPZPZYAMKR-UHFFFAOYSA-N 346.500 2.099 30 40 EEEB C#CCN1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 585117867 CIBAMTOMHRTNAQ-UHFFFAOYSA-N 348.830 2.282 30 40 EEEB CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccccc2C(C)(C)C#N)C1 591647580 SJMZEOWYEHZPNF-HXUWFJFHSA-N 343.471 2.293 30 40 EEEB CC(C)CN1C[C@]2(COCCN(Cc3ccc(C#N)cc3)C2)CC1=O 585104686 QXSKYDGKHVZLPF-FQEVSTJZSA-N 341.455 2.265 30 40 EEEB Cc1cc2nc(NC3=NCN(CCS)CN3)nc(C)c2cc1C 19332448 JCILBSVCUNPJRQ-UHFFFAOYSA-N 330.461 2.073 30 40 EEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 101312131 UMTFUYSOVJKKDE-SAFUZZNQSA-N 338.454 2.006 30 40 EEEB N#Cc1ccc(OCC(=O)N2CCN(Cc3ccsc3)CC2)cc1 23417482 FPAUULKSCLJVHK-UHFFFAOYSA-N 341.436 2.343 30 40 EEEB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)/N=C3\NCCS3)C2)c1 44814633 MBBUTUCMRMHCGE-AWEZNQCLSA-N 345.468 2.375 30 40 EEEB N#Cc1ncn(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n1 12920909 BKOSUAKCZKCUTR-UHFFFAOYSA-N 346.325 2.036 30 40 EEEB N#Cc1ccc(COC(=O)CNC(=O)N2CCc3ccccc3C2)cc1 69967990 XLFQXDMKKQPSDK-UHFFFAOYSA-N 349.390 2.369 30 40 EEEB N#CCCn1cc(/C=N/NC(N)=S)c(-c2ccc(Cl)cc2)n1 5576711 YPWVULLPOHKSEA-QGMBQPNBSA-N 332.820 2.284 30 40 EEEB C#CCN(C(=O)Cc1cccc(S(=O)(=O)CC)c1)C1CCCC1 97141690 UBMPKYUBJYXPMM-UHFFFAOYSA-N 333.453 2.427 30 40 EEEB CN(C)C1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 97113123 NNGJHXPWSWQIJU-UHFFFAOYSA-N 342.321 2.277 30 40 EEEB Cc1ccc(Br)cc1NC(=O)CN=C(N(C)C)N(C)C 95948358 WEHHFIHDLSAZFZ-UHFFFAOYSA-N 341.253 2.175 30 40 EEEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2)C1=O 408528262 VDBPKAFPRZOIHD-CYBMUJFWSA-N 337.335 2.297 30 40 EEEB CC(=O)NCCCCC/C(O)=N/S(=O)(=O)c1ccccc1C 48424625 CRWKWTNPCUEFMG-UHFFFAOYSA-N 326.418 2.337 30 40 EEEB C[C@H]1CN=C(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)S1 96429709 ZGLOYSSCKOTVAH-LBPRGKRZSA-N 327.457 2.055 30 40 EEEB CCc1nnsc1C(=O)N1CCN([C@@H](C#N)C2CCCCC2)CC1 40555817 LIOICHUKLDFRIW-HNNXBMFYSA-N 347.488 2.331 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccc(N2CCc3ccccc32)cc1 51616717 FIYQSDZQSXOIFS-UHFFFAOYSA-N 348.406 2.252 30 40 EEEB O=S(=O)(c1ccc(/N=C/c2ccc(O)cc2)cc1)N1CCOCC1 100039907 VZPUDTXEXFJNNL-QGOAFFKASA-N 346.408 2.164 30 40 EEEB C#CCCN1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 58393088 LOICPZHXGJTYMD-UHFFFAOYSA-N 336.439 2.270 30 40 EEEB COc1ccc(C/C(N)=N/OC(=O)c2ccccc2OC)cc1OC 4689566 ZVOIMQPSIMUANG-UHFFFAOYSA-N 344.367 2.384 30 40 EEEB C#CCOc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409092138 VORHWPVRQOIEIS-WOJGMQOQSA-N 326.312 2.456 30 40 EEEB COc1ccc(/C(O)=N/S(=O)(=O)c2cccc3ncccc23)cn1 71803826 UOFWGOLZWXWSDL-UHFFFAOYSA-N 343.364 2.332 30 40 EEEB N#Cc1cnn(CCNC(=O)NCC2(c3cccc(Cl)c3)CC2)c1 72292552 IPAGJKISPBBGTE-UHFFFAOYSA-N 343.818 2.439 30 40 EEEB COCCN(C(=O)c1cnn(-c2ccccc2)n1)c1ccc(C#N)cc1 72295970 PQXANYHRJBBZBE-UHFFFAOYSA-N 347.378 2.432 30 40 EEEB CCO[C@H]1C[C@@H](N/C(=N/C)NCc2noc(C)n2)C12CCCCC2 97014074 DLVZRNJMOFWTCD-KGLIPLIRSA-N 335.452 2.171 30 40 EEEB CC(=O)/C(=C\c1c(O)[nH]c2ncccc2c1=O)C(=O)c1ccccc1 33744042 HRPYMBMCLCHICW-GXDHUFHOSA-N 334.331 2.484 30 40 EEEB CCN1CCN(c2c(N)cc(C#N)n2Cc2ccccc2F)CC1 225869928 GKUXWJYUYVXEDQ-UHFFFAOYSA-N 327.407 2.271 30 40 EEEB O=C(NC1CCN(CC2CCCC2)CC1)c1cccc(C#CCO)c1 585129619 PQSJJZUYMCXIJR-UHFFFAOYSA-N 340.467 2.415 30 40 EEEB Cc1nn(C)cc1CN1CCC[C@H](COc2cc(C#N)ccn2)C1 1776008253 ABLKHMVTENFAJA-INIZCTEOSA-N 325.416 2.286 30 40 EEEB CCOC(=O)/C(=N/NC1=C(C)[C@@H](C)[C@H](c2ccccc2)C1=O)C(C)=O 1554503326 CQJZNFDEYNYICN-YZJFFGDTSA-N 342.395 2.361 30 40 EEEB C=CCOc1ccccc1C(=O)N1CC[C@H](c2cc(O)nc(O)n2)C1 585130474 RHUVADMXAUCVOT-LBPRGKRZSA-N 341.367 2.082 30 40 EEEB N#Cc1ccc(CN2CCN(c3nc(O)cc(C(F)F)n3)CC2)cc1 1888866786 QJUMNJTZQXEHJO-UHFFFAOYSA-N 345.353 2.314 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 104055817 TXPHNNMDLCPVCC-SWLSCSKDSA-N 334.335 2.068 30 40 EEEB C=C(Br)CNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 58290554 MKQXBINQTNKHGL-UHFFFAOYSA-N 347.234 2.005 30 40 EEEB N#Cc1cccc([C@@H]2C[C@@H]2/C(O)=N/S(=O)(=O)CC2CCOCC2)c1 83148079 UJIZHQLIQCYXKD-HOTGVXAUSA-N 348.424 2.375 30 40 EEEB Cc1ccc2nc(C3=C(N)N(c4ccc(C(=O)O)cc4)CC3=O)[nH]c2c1 5182861 GWUVXXWYUZOXSB-UHFFFAOYSA-N 348.362 2.286 30 40 EEEB C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 65566199 AJHDCDDZEODBDW-SNVBAGLBSA-N 335.791 2.176 30 40 EEEB CCOc1cc(/C=N/n2cnnc2)cc(Br)c1OC 5336078 FUZBPOIBOMAXFZ-OMCISZLKSA-N 325.166 2.330 30 40 EEEB CCNc1nc(/C=N/Nc2nc3ccccc3[nH]2)nc(NCC)n1 4864039 UDCQRPVSASEBJC-GIJQJNRQSA-N 325.380 2.058 30 40 EEEB CN(c1cccnn1)C1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 95351517 ONUGVQBTNZRPFF-UHFFFAOYSA-N 338.371 2.362 30 40 EEEB N#Cc1c[nH]c(C(=O)Nc2cccc(NC(=O)CCn3ccnc3)c2)c1 95406888 RGXQXYOPKRRKRT-UHFFFAOYSA-N 348.366 2.364 30 40 EEEB C/C(=N\OCC(=O)O[C@H]1CCCCC1=O)c1ccc2c(c1)OCO2 98053979 XNRVELRKXUZWBR-BGARDKSCSA-N 333.340 2.211 30 40 EEEB C#CCN1CCC(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 74610480 JPBKTVSKAPOEJL-CYBMUJFWSA-N 348.418 2.365 30 40 EEEB C[C@H](c1nc(C2CC2)no1)N1CCCN(c2ncccc2C#N)CC1 66437849 IKSCJTITGSFDEP-CYBMUJFWSA-N 338.415 2.487 30 40 EEEB C=C(Cl)CN(CCC(=O)OC)S(=O)(=O)c1ccc(C)cc1 2559160 UFKLGCXHNARGDI-UHFFFAOYSA-N 331.821 2.301 30 40 EEEB N#Cc1cccc(C(=O)NCCCn2cc(Br)cn2)c1 27928876 IPSDRGIRISNBQM-UHFFFAOYSA-N 333.189 2.337 30 40 EEEB CCN(CC)C(=O)[C@@H](C#N)C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 103274143 PCIIWOWULVIQTO-HNNXBMFYSA-N 343.427 2.406 30 40 EEEB Cc1nc(CN(C)CC(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc12 58377894 QKDXMFBHDBQHGM-IBGZPJMESA-N 339.443 2.425 30 40 EEEB N#Cc1ccc(N2CCC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 69797770 LKIDNCKWHZZLIH-OAHLLOKOSA-N 330.388 2.015 30 40 EEEB CCOc1ccc2nc(NCCNC(=S)NC)c(C#N)cc2c1 20151192 LGEJQSKNTSRQFW-UHFFFAOYSA-N 329.429 2.011 30 40 EEEB CC(C)c1cnc(CN(C)[C@@H]2CCN(CCn3cc(C#N)cn3)C2)o1 76047851 CTTHPKLLWVMYNR-MRXNPFEDSA-N 342.447 2.072 30 40 EEEB C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)C 95987360 KPMJOBDCAXGXBM-CABCVRRESA-N 348.516 2.481 30 40 EEEB C#CCOc1ccc(C(=O)N2C[C@H](N3CCCC3)[C@H](SC)C2)cc1 95939736 WYKJHIPRPQLKRP-ZWKOTPCHSA-N 344.480 2.350 30 40 EEEB C=C1C(=O)[C@]23C[C@H](O)[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@@]2(O)CC[C@@H]1C3 1082910600 UTVJJCFYCUPKOU-UAWDQXROSA-N 348.439 2.305 30 40 EEEB biogenic N#Cc1cccnc1N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 65459369 TUGSMLZUALDGEF-HOTGVXAUSA-N 336.395 2.389 30 40 EEEB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)c2ccc(C#N)cc2)CC1 85468139 DQFAYTKSXNXKAG-MRXNPFEDSA-N 340.471 2.046 30 40 EEEB CCCC/N=C(/NCc1cccc(N(C)C)c1)N1CCC(O)CC1 73909386 KOAQBEXRQJGSEE-UHFFFAOYSA-N 332.492 2.455 30 40 EEEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)C31CC1 100060131 MDGVFZYSSMDXTB-GMGUHPFVSA-N 337.335 2.126 30 40 EEEB O=S1(=O)N=C(N/N=C/c2cc(Cl)ccc2O)c2ccccc21 33992 ZFSNJXRFFNEJKB-LZYBPNLTSA-N 335.772 2.118 30 40 EEEB COc1ccc(OC)c([C@@H]2NC(=O)C(O)=C2C(=O)c2ccco2)c1 4901695 OZNHIOUBLPLRNL-AWEZNQCLSA-N 329.308 2.163 30 40 EEEB C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 23922891 RZOKCKWZUAIMBC-AWEZNQCLSA-N 337.379 2.275 30 40 EEEB N#Cc1cc(F)c(NCCCn2nc3n(c2=O)CCCC3)c(F)c1 71907719 DJFSHMORBQFRKW-UHFFFAOYSA-N 333.342 2.033 30 40 EEEB CCS[C@H]1C(C(=O)c2ccc(OC)cc2)=C(CC(=O)O)C(=O)N1C 62716268 GRWWISWDHABUCC-KRWDZBQOSA-N 349.408 2.200 30 40 EEEB COC(=O)[C@H]1SC(=CC(=O)c2ccccc2)S[C@@H]1C(=O)OC 18194639 XCNVXOOWOSSUAS-STQMWFEESA-N 338.406 2.274 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 4889261 NMKYUBDIARGHNB-JHJVBQTASA-N 340.383 2.024 30 40 EEEB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1 6886556 YGMZYYDGHDSGNY-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB CCCn1nnnc1COC(=O)c1c(C)oc(-n2cccc2)c1C#N 7310569 IHTFQFGKMDBWRH-UHFFFAOYSA-N 340.343 2.004 30 40 EEEB N#Cc1ccsc1N1CC[C@H](Sc2ncnc3nc[nH]c23)C1=O 83092310 XPFYJODQHXEABJ-VIFPVBQESA-N 342.409 2.184 30 40 EEEB C[C@H]1CN(C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CCO1 71821649 GQJVBDHLNCJLEX-INIZCTEOSA-N 341.455 2.203 30 40 EEEB N#CC1(NC(=O)CN2CCOC[C@H]2c2ccccc2)CCCCC1 76118900 SIZKLIHBPIQSPI-KRWDZBQOSA-N 327.428 2.403 30 40 EEEB N#CCCn1cc(/C=C/C(=O)NCc2nccc(N)n2)c2ccccc21 95448160 QQKWYGMSHXPZRX-VOTSOKGWSA-N 346.394 2.257 30 40 EEEB COc1ccccc1[C@H](C)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 95406910 SZFSQXRIHGYPIC-AWEZNQCLSA-N 338.411 2.414 30 40 EEEB N#Cc1ccc(OC2CN(C(=O)NCCc3cscn3)C2)cc1 95943108 NUMBKNBKBMGBQV-UHFFFAOYSA-N 328.397 2.030 30 40 EEEB CC/N=C(/NCc1noc(C)n1)NC1CCN(c2ccccc2)CC1 88947731 UAZZAXJUZDHXDW-UHFFFAOYSA-N 342.447 2.102 30 40 EEEB O=C[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218163703 KWPBYEPKJUBWFD-IAOVAPTHSA-N 330.361 2.170 30 40 EEEB N#Cc1ccc2c(c1)N(C(=O)CSC[C@@H]1CCCCO1)CC(=O)N2 583551184 JHOMVHPXKNSWMH-ZDUSSCGKSA-N 345.424 2.146 30 40 EEEB O=C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242547852 KWPBYEPKJUBWFD-XYPHTWIQSA-N 330.361 2.170 30 40 EEEB CC(C)(C)C(=O)N1CCC(=NOCc2cccc(C(N)=O)c2)CC1 54209751 IINDHHOXHAEKHU-UHFFFAOYSA-N 331.416 2.327 30 40 EEEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccccc1C 6819978 BKEPXBJNGPWEGT-PVXIVEMSSA-N 327.380 2.251 30 40 EEEB COc1ccccc1CC(=O)NCCNc1cccc(F)c1C#N 47341127 KCGCQUAFVJPBEM-UHFFFAOYSA-N 327.359 2.477 30 40 EEEB C[C@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccc(C#N)cc1 12620984 CYDPRSZJAYAFRJ-JTQLQIEISA-N 341.758 2.412 30 40 EEEB N#Cc1cccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 4904619 HZJFUISHEJAHFN-UHFFFAOYSA-N 336.395 2.445 30 40 EEEB COC1CCC(N(C)S(=O)(=O)c2cccc(F)c2C#N)CC1 96428044 TZZICHVLMOHTSZ-UHFFFAOYSA-N 326.393 2.275 30 40 EEEB CCOc1cc(C#N)ccc1OCC(=O)N1CCN2CCCC[C@H]2C1 71839917 KVXSKOGNVWOPQJ-INIZCTEOSA-N 343.427 2.032 30 40 EEEB N=C(N/N=C/c1ccccc1Cl)c1nc2ccccc2[n+]([O-])c1N 35183061 MKAJKXKUTIZUFM-AWQFTUOYSA-N 340.774 2.053 30 40 EEEB COC(=O)c1ccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)o1 80904946 LGDLBWGAXMAKQR-QGZVFWFLSA-N 339.395 2.449 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)/C=C/c2cccs2)C1 225798672 LMXFHFWBHIQFDB-PCAWENJQSA-N 326.381 2.103 30 40 EEEB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 30942908 NAWBNOOKTPXHMP-HNNXBMFYSA-N 336.395 2.069 30 40 EEEB COc1cccc(O[C@H](C)c2ccnc3nc(/N=C/N(C)C)nn23)c1 100912179 NMLNEGBYAUUKFJ-ZGXHQARYSA-N 340.387 2.494 30 40 EEEB CN(C)c1ccc([C@@H]2C3=C(CCCC3=O)OC(N)=C2[N+](=O)[O-])cc1 6247515 JBESAKZCLVLGPJ-CQSZACIVSA-N 329.356 2.278 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc3c(cc1Cl)OCO3)[C@H]1C=C[C@H]2C1 104684364 UNJXVVXUVDKPMK-ZLRZKVHVSA-N 344.754 2.210 30 40 EEEB N#CCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 2084505 JOJOZAXNKXHQDM-UHFFFAOYSA-N 335.245 2.261 30 40 EEEB CS[C@H]1C(C(=O)c2ccco2)=C(CC(=O)O)C(=O)N1CC(C)C 62716438 ULRGIGGHOYJRPN-INIZCTEOSA-N 337.397 2.421 30 40 EEEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)CN2CCCCCC2=O)c1 48471948 CINWMKXBNMCUCE-UHFFFAOYSA-N 338.429 2.351 30 40 EEEB N/C(=N/Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCCO2 69777557 KMQSBMVSUYIQAJ-UHFFFAOYSA-N 327.340 2.113 30 40 EEEB COC[C@H](C)/N=C1/NC(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S1 6207661 FMFYNXYKMVUXQX-STQMWFEESA-N 349.456 2.255 30 40 EEEB C=CCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc(OC)cc2)CC1 14327205 MZDCHTREHBOVRP-AWEZNQCLSA-N 330.428 2.281 30 40 EEEB C/C(=N/N=C1\NC(=O)[C@@H](CC(=O)O)S1)c1ccc(OC(C)C)cc1 4825512 AJUFRNLOQAHIQY-CCOVPTLTSA-N 349.412 2.260 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(NC2CC2)s1 7577533 MDOHXJXYXFWMSG-ZDUSSCGKSA-N 325.463 2.259 30 40 EEEB C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cn1cccn1 89900555 YQOMEQLWFGZSKK-AWEZNQCLSA-N 326.400 2.365 30 40 EEEB N#C[C@H]1COCCN1C(=O)COc1ccccc1Cc1ccccc1 72298080 HDUZSHMMGRRUBI-SFHVURJKSA-N 336.391 2.407 30 40 EEEB CC/N=C(/NCc1ncccc1C)N[C@@H]1CCN(C2CCCC2)C1 97013642 VRAQNGBUDRPIEJ-MRXNPFEDSA-N 329.492 2.462 30 40 EEEB CC(=O)n1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409405416 GZLNVFXWBCIHAX-DSIZOQBWSA-N 347.374 2.442 30 40 EEEB C=CCN1CCC(NC(=O)c2cn(-c3ccc(F)cc3)cn2)CC1 227115239 HKVFOIPINDUEOB-UHFFFAOYSA-N 328.391 2.392 30 40 EEEB N#Cc1nccnc1N1CCC(CNC(=O)Nc2ccccc2)CC1 206608302 ACNNTBFOFOEYRY-UHFFFAOYSA-N 336.399 2.386 30 40 EEEB COc1cc(OC)cc(C(=O)[C@H](C#N)C(=O)NC2CCCCC2)c1 103503859 ZUJUOYRLDDHCGK-INIZCTEOSA-N 330.384 2.475 30 40 EEEB CNC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc2O1 53897094 XCXYLCXELUOMLN-KRWDZBQOSA-N 325.343 2.211 30 40 EEEB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C#N)cc1 57842311 KZHKIZQJJUQDHL-CYBMUJFWSA-N 329.425 2.399 30 40 EEEB COc1ccccc1CNC(=O)CO/N=C/c1ccc(N(C)C)cc1 3564074 OACGULRGWPUKEM-CIAFOILYSA-N 341.411 2.428 30 40 EEEB CCOC(=O)COc1ccccc1/C=C1/S/C(=N/C)N(C)C1=O 408930212 UDAGMTUQLVNWKP-YDNXFKBOSA-N 334.397 2.160 30 40 EEEB Cc1cc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)no1 518471762 YBYHIGJDHPEZAO-UHFFFAOYSA-N 339.399 2.277 30 40 EEEB CCOc1ccc(-c2noc(CNC(=O)c3cccc(C#N)c3)n2)cn1 225816195 FIGQVUADNJRCRT-UHFFFAOYSA-N 349.350 2.332 30 40 EEEB N#CC1(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CCCC1 97373195 WIUVCUCBKQSREO-GOSISDBHSA-N 341.455 2.343 30 40 EEEB CCNS(=O)(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 95944363 KEPQRDYTPDFVFX-GFCCVEGCSA-N 347.362 2.095 30 40 EEEB C=C(C)CNC(=O)Nc1cccc2c1C1(CC23OCCO3)OCCO1 1616039843 WWEQWMTWTIGVFM-UHFFFAOYSA-N 346.383 2.187 30 40 EEEB CC/N=C1/S[C@H](CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N1CC 1314557 JTCHGTAUIANYOR-QIVXWBPLSA-N 349.412 2.053 30 40 EEEB COc1cc(C)nc(N2CCN(c3ccc(C#N)cc3F)CC2)n1 609670491 MABDGDIZCSODID-UHFFFAOYSA-N 327.363 2.131 30 40 EEEB CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 21365099 VSUVCBGJHFJQIJ-ZDUSSCGKSA-N 335.429 2.223 30 40 EEEB C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(Cc2ccccc2)C1 71914228 YIGWYYNRNRZFDX-RDJZCZTQSA-N 330.428 2.133 30 40 EEEB CS(=O)(=O)Nc1cccc(C(=O)OCc2ccc(C#N)cc2)c1 3332107 BFQYYZNHHLNHIA-UHFFFAOYSA-N 330.365 2.287 30 40 EEEB N#CCCN(C[C@H]1CCOC1)S(=O)(=O)c1cccc(Cl)c1 69654496 KNIYNDKHXOUNKC-GFCCVEGCSA-N 328.821 2.281 30 40 EEEB CC(C)c1nc2c(n1C)CCN(CC(=O)Nc1sccc1C#N)C2 69517864 QWCVRRPCSNFBDJ-UHFFFAOYSA-N 343.456 2.473 30 40 EEEB CC(C)[C@H](C#N)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 69598762 YQZAWWMGQMWCHM-ZFWWWQNUSA-N 349.866 2.228 30 40 EEEB COc1ccc([C@@H]2C[C@H]2C(=O)NCCNc2ncccc2C#N)cc1 69560610 NNBCTYBXRIRRMZ-DLBZAZTESA-N 336.395 2.294 30 40 EEEB C#CCN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 69876831 CDWNSBXFHMEINL-NSHDSACASA-N 346.235 2.256 30 40 EEEB N#C[C@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccccc1F 97162748 ZQTVCALBIBPUBK-HNNXBMFYSA-N 347.296 2.215 30 40 EEEB COc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1C#N 78898600 XMXLOPUXOQDZKI-GUYCJALGSA-N 327.428 2.303 30 40 EEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCCCCC 408707822 FMRMUEICQPATKA-UHFFFAOYSA-N 331.416 2.237 30 40 EEEB C=C(C)C(=O)O[C@H]1CC2=C[C@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O 31166086 JMUOPRSXUVOHFE-MCYOVBASSA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro C[C@H](NC(=O)COc1ccccc1C#N)[C@@H](O)c1ccc(F)cc1 95430029 JYRKWVDNWUJBLU-KPZWWZAWSA-N 328.343 2.314 30 40 EEEB C#CCCC1(CCC(=O)Nc2cc3c(c(C(=O)O)c2)OCO3)N=N1 1616031206 JXYAHZMAXLWXLL-UHFFFAOYSA-N 329.312 2.408 30 40 EEEB Cn1ncc(C#N)c1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 4505116 BVVDNVJWDQLKET-ZDUSSCGKSA-N 329.747 2.077 30 40 EEEB COc1ccc(-c2nc(CNC(=O)c3ccc(C#N)cc3)n[nH]2)cc1 69740366 YJVHJSMBQRANCI-UHFFFAOYSA-N 333.351 2.282 30 40 EEEB CC/N=C(\NCc1ccnn1C)NC[C@@H]1CCO[C@H]1c1ccccc1 104202008 BYIVFUQDNMQKRV-WMZOPIPTSA-N 341.459 2.253 30 40 EEEB N#Cc1cccnc1NCCNC(=O)[C@H]1CCCN1Cc1ccccc1 57171695 CZUVAUHCMDAQJH-GOSISDBHSA-N 349.438 2.146 30 40 EEEB C=CCn1c(C)nnc1SCCC(=O)NC(=O)NC1CCCC1 58167476 UUVNWCAXCZZDCB-UHFFFAOYSA-N 337.449 2.023 30 40 EEEB CCc1nn(C[C@@H](O)c2ccc(OC)c(F)c2)c(=O)c(C#N)c1CC 69869663 MHOBUXZAJBLWII-MRXNPFEDSA-N 345.374 2.121 30 40 EEEB CCO[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 71802095 GOTPKOBTSZKARR-ZWKOTPCHSA-N 327.428 2.018 30 40 EEEB C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)C 95987362 KPMJOBDCAXGXBM-HUUCEWRRSA-N 348.516 2.481 30 40 EEEB C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)\c1ccco1 33920376 IIXBKVUZERGDNJ-ATVHPVEESA-N 327.392 2.111 30 40 EEEB CN(c1ccc(CC#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225005385 DKBOXPPFLHPNGB-UHFFFAOYSA-N 331.353 2.486 30 40 EEEB C=CCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 225980013 WRFDUKXFITXGTK-UHFFFAOYSA-N 344.436 2.356 30 40 EEEB N#Cc1cc2cccnc2nc1N1CCC(CO[C@H]2CCNC2)CC1 600957327 NGDACOUBJOHZSO-KRWDZBQOSA-N 337.427 2.096 30 40 EEEB N#Cc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2CO)c(F)c1 95417159 PRWUFOPIIABZPH-SFHVURJKSA-N 339.370 2.499 30 40 EEEB CCN(CC#N)S(=O)(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 1615585586 JKAPZEUDWFFPHR-STQMWFEESA-N 343.246 2.480 30 40 EEEB CCOC(=O)[C@H]1CCCN(/C=C2\Oc3c(ccc(O)c3C)C2=O)C1 12442417 HDSIJDLILVYHGI-GQVHDAKQSA-N 331.368 2.392 30 40 EEEB N#Cc1nccnc1NC1CCN(c2ncnc3c2CCCC3)CC1 585149421 QWOIYAVZUKBADE-UHFFFAOYSA-N 335.415 2.098 30 40 EEEB COC(=O)c1cnc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 953034838 JJSOESIOVVCPKS-UHFFFAOYSA-N 331.099 2.186 30 40 EEEB N#Cc1cc2c(nc1N1CCC(Cn3cnccc3=O)CC1)CCCC2 585636656 LOCWVWOFFILVAA-UHFFFAOYSA-N 349.438 2.305 30 40 EEEB O=C(C[C@H]1SC(N/N=C\c2ccco2)=NC1=O)Nc1ccccc1 16810535 FLIYDQCLZJPTMV-OMJMQIJPSA-N 342.380 2.230 30 40 EEEB C=C(C)Cn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 4170043 LKXDAFYSVVPWHT-UHFFFAOYSA-N 342.424 2.459 30 40 EEEB C=CCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 21876931 TZFUEWHUOREOJP-UHFFFAOYSA-N 330.837 2.286 30 40 EEEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1)OC 813444 BRZAAUXGJNFBNW-AWEZNQCLSA-N 339.775 2.243 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1 25225844 DBIJSVXEBDNDDV-UHFFFAOYSA-N 337.354 2.296 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1C[C@H]1CCOC1 58277634 NXOXPWCSDDCSIZ-ZIAGYGMSSA-N 340.383 2.197 30 40 EEEB Cc1nc(CN(C)CC(=O)N[C@](C)(C#N)C(C)C)nc2ccccc12 58377895 QKDXMFBHDBQHGM-LJQANCHMSA-N 339.443 2.425 30 40 EEEB COc1ccccc1/C(O)=N/S(=O)(=O)N(C)Cc1ccccc1 48677348 NSBBRAYKKVGOSW-UHFFFAOYSA-N 334.397 2.377 30 40 EEEB Cc1nc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)ccc1C#N 69775635 IKGAZASMFAERIV-KRWDZBQOSA-N 334.379 2.139 30 40 EEEB C=CCNC(=O)NCc1cc(OC)c(OC)cc1Br 65585615 SKWRVFSAXVDSOJ-UHFFFAOYSA-N 329.194 2.452 30 40 EEEB N#Cc1ccccc1COC(=O)Cn1cc(C(F)(F)F)ccc1=O 6544551 VYARHUXAWUVKAQ-UHFFFAOYSA-N 336.269 2.482 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NCCCCCc1n[nH]c(N)c1C#N 6909133 VYHANCACTRPHEX-UHFFFAOYSA-N 339.359 2.468 30 40 EEEB C#CCNC(=O)c1ccc(NCc2ccc(Cn3cccn3)cc2)nc1 75610783 YUJXOUVOKLDRFM-UHFFFAOYSA-N 345.406 2.302 30 40 EEEB CNS(=O)(=O)Cc1cccc(CNc2cc(C)nc(C)c2C#N)c1 95430787 WULVNVGEALVBAQ-UHFFFAOYSA-N 344.440 2.231 30 40 EEEB N#C[C@@H](C(=O)[C@H]1CCCCN1C(=O)c1cccnc1)c1ccccn1 95443086 XMTDFWXHNOVMRR-NVXWUHKLSA-N 334.379 2.348 30 40 EEEB COC(=O)Nc1nc2c(s1)CN(C(=O)c1cccc(C#N)c1)CC2 85470296 CUTTWQWZWSOKLL-UHFFFAOYSA-N 342.380 2.392 30 40 EEEB CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](N)Cc3ccc(O)c(O)c3)O[C@@H]1C2 265540532 BTYCLJNTAHVQTD-PUCCSIKASA-N 331.221 2.235 30 40 EEEB O=S(=O)(/N=C(\O)CCS(=O)(=O)C1CCCC1)c1ccccc1 48406892 OLAZPRNMODJGRL-UHFFFAOYSA-N 345.442 2.079 30 40 EEEB N#CC1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 96009893 DYGXYLMGIRBBGE-UHFFFAOYSA-N 330.356 2.255 30 40 EEEB CC/N=C1\S[C@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1CC 18118648 TZMGAZSFYOBZAW-ICDILTBESA-N 349.412 2.053 30 40 EEEB C#CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 71916048 NKXWKFMUCVOXNR-UHFFFAOYSA-N 326.249 2.305 30 40 EEEB CNC(=O)[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2O1 24703838 MTTMWVLHPFHZCF-SFHVURJKSA-N 349.390 2.031 30 40 EEEB Cc1nc(C)c(C(=O)N2CCCN(c3ncccc3C#N)CC2)s1 55740579 YQZSOWRDUKNFMA-UHFFFAOYSA-N 341.440 2.379 30 40 EEEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 69282464 YTHAZDWYYJYQMJ-CMPLNLGQSA-N 331.365 2.055 30 40 EEEB C#Cc1cccc(NC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)c1 65564871 JKKULRUQPAFXES-UHFFFAOYSA-N 332.356 2.431 30 40 EEEB CCc1nc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)no1 75573236 GKSVSBWKKBFZNA-HOCLYGCPSA-N 342.399 2.080 30 40 EEEB N#Cc1cccnc1NCCNC(=O)N(Cc1cccnc1)C1CC1 75127404 LMKFPAYVHLIENO-UHFFFAOYSA-N 336.399 2.134 30 40 EEEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc([N+](=O)[O-])c1O 408911732 OHUNOKROIDBRJS-APSNUPSMSA-N 347.287 2.448 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2cccc(C#N)c2)C1 89223499 PSVQCZGSKUJKII-AWEZNQCLSA-N 336.413 2.341 30 40 EEEB CC[C@H]1c2ccsc2CCN1C(=O)Cn1cc(C#N)ccc1=O 332663539 QDTSILKVPBJBJF-AWEZNQCLSA-N 327.409 2.317 30 40 EEEB CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 97103049 ZNJOCXPKKRACBC-LLVKDONJSA-N 347.362 2.095 30 40 EEEB N#Cc1ccc(N2CCCN(C(=O)[C@H]3C[C@H]4CC[C@H]3O4)CC2)cc1 108080234 DVODSRMTFXXAPS-FGTMMUONSA-N 325.412 2.164 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 5853843 ZUGMGVJZIZVRCF-OAHLLOKOSA-N 348.424 2.226 30 40 EEEB NC(=O)c1cncc(C#CC2(NC(=O)c3ccncc3)CCCCC2)c1 12224463 MIWPHLJOAPGHAC-UHFFFAOYSA-N 348.406 2.060 30 40 EEEB COC(=O)Nc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1 100819274 ZGABQQKTGBNNPM-CYBMUJFWSA-N 338.323 2.221 30 40 EEEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2ccco2)CC1 22817146 LIAHXWUTKQVOCP-OAHLLOKOSA-N 338.411 2.296 30 40 EEEB Cc1noc([C@H]2CCCN(C(=O)NCc3ccc(C#N)cc3)C2)n1 58223112 SNFGYGOLIABCNA-HNNXBMFYSA-N 325.372 2.339 30 40 EEEB N#Cc1ccc(NC[C@@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 44976820 LLKAZSAYQYAINC-YOEHRIQHSA-N 330.388 2.379 30 40 EEEB C[C@@H](NC(=O)OC(C)(C)C)/C(O)=N/S(=O)(=O)c1cccs1 48448531 NOKOGUFJAXBBIN-MRVPVSSYSA-N 334.419 2.307 30 40 EEEB COc1cc([C@H](C#N)NC(=O)c2cccnc2)cc(OC)c1OC 67701475 FCNMBJCVNAEGFJ-ZDUSSCGKSA-N 327.340 2.102 30 40 EEEB C/N=C(\NCc1ccnc(-n2cccn2)c1)NCC(C1CC1)C1CC1 95963372 MQMBHWSMKJKIGQ-UHFFFAOYSA-N 338.459 2.369 30 40 EEEB N#Cc1ccc(NCCN2CCN(c3ccc(F)cc3)CC2)nc1 29618987 SAISUAKFVVAHHQ-UHFFFAOYSA-N 325.391 2.326 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)cc1 95433143 ZAFZRSBLVUPHSV-NVXWUHKLSA-N 334.441 2.262 30 40 EEEB N#Cc1cc(S(=O)(=O)NCC[C@@H](O)c2ccccc2)ccc1F 96483560 HWGBNNLWRZBQQQ-MRXNPFEDSA-N 334.372 2.099 30 40 EEEB C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2nccn2C)c1 154656029 YAEHFABSBSEGLR-UHFFFAOYSA-N 326.400 2.450 30 40 EEEB N#CCCNC(=O)CN(Cc1ccc(Br)cc1)C1CC1 26332230 JSTLXMBAZHUDLK-UHFFFAOYSA-N 336.233 2.443 30 40 EEEB C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccs2)n1N 4536749 BBNSYBXJOWVPCY-UHFFFAOYSA-N 337.474 2.237 30 40 EEEB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(C#N)c1 24350449 FRRBPKNZVIRBRE-UHFFFAOYSA-N 342.376 2.096 30 40 EEEB CCN1C(C(=O)c2ccccc2)=C(N)c2ccccc2S1(=O)=O 1410044 AKMLXHSPGXFFAD-UHFFFAOYSA-N 328.393 2.221 30 40 EEEB N#CCCN(CCC#N)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 57027328 VKLCATSIUVVKSJ-UHFFFAOYSA-N 341.371 2.465 30 40 EEEB COc1cc(C(=O)O/N=C(\N)c2cccc(C)c2)cc(OC)c1OC 12655293 RGHHVFWEWGEMQI-UHFFFAOYSA-N 344.367 2.498 30 40 EEEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(\O)c1ccc2ccccc2n1 69897688 OLZODYCLDCDYJP-ZDUSSCGKSA-N 334.397 2.438 30 40 EEEB N#Cc1cccc(NC(=O)Cn2cc(Br)ccc2=O)c1 14736228 JRCSJYZOAUPACE-UHFFFAOYSA-N 332.157 2.121 30 40 EEEB COc1cc([C@@H](C#N)NC(=O)c2ccncc2)cc(OC)c1OC 67701466 NDRGBBSFRLCFDM-CYBMUJFWSA-N 327.340 2.102 30 40 EEEB C[C@](C#N)(NC(=O)CSc1nnc(-c2cccnc2)o1)C1CC1 6100325 CSWRWDJYLLNDMQ-OAHLLOKOSA-N 329.385 2.032 30 40 EEEB N#CCCN(CCC#N)C(=O)CN(CCc1ccc(F)cc1)C1CC1 72289492 VXCYBFPOCBEJSL-UHFFFAOYSA-N 342.418 2.489 30 40 EEEB CN(C)CCOc1ccc(N(C)C(=O)c2cc(C#N)cn2C)cc1 95409193 WLSUDIFTYRRKOJ-UHFFFAOYSA-N 326.400 2.114 30 40 EEEB N#Cc1nc(N)n(Cc2ccc(OCc3ccccn3)cc2)c1C#N 95990813 LBALBYICEPUSIB-UHFFFAOYSA-N 330.351 2.231 30 40 EEEB Cc1cc(C(=O)N2CC(C(=O)Nc3cc(Cl)ccc3C#N)C2)no1 70810994 IRZSDWXTNIABER-UHFFFAOYSA-N 344.758 2.219 30 40 EEEB COCCS(=O)(=O)/N=C(\O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 78986271 SJONPJHBIPMACG-SECBINFHSA-N 348.402 2.008 30 40 EEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(c4cnccn4)C3)C2)c1 96228996 TUDJIMDLWIYNLA-HXUWFJFHSA-N 349.438 2.472 30 40 EEEB CC(C)(C)OC(=O)Nc1cc(C#N)ccc1NC(=O)[C@H]1COCCO1 585127908 MBSIXBKKRNIXHX-CQSZACIVSA-N 347.371 2.259 30 40 EEEB CN/C(=N/CCc1csc(N2CCCC2)n1)NCc1ccco1 252480144 BWRVMBCGZRINRH-UHFFFAOYSA-N 333.461 2.244 30 40 EEEB N#Cc1ccc(OC[C@@H]2CO[C@@H]3CN(C(=O)c4cc[nH]c4)C[C@H]23)cc1 1565550822 IQPVFVGUNQOXQH-KBAYOESNSA-N 337.379 2.052 30 40 EEEB C=CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Cl)s1 100895862 QNUBREWRAXVRMK-ZRDIBKRKSA-N 336.847 2.208 30 40 EEEB C[C@H](CS)C(=O)N1C[C@H](Sc2ccccc2)C[C@@H]1C(=O)O 4930 UQWLOWFDKAFKAP-RAIGVLPGSA-N 325.455 2.399 30 40 EEEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)c(OC)c1 222595 GYIURBTTYXIOKU-MRXNPFEDSA-N 326.356 2.317 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 101266971 FHPPARNASWIELB-UGQVUOCMSA-N 340.379 2.064 30 40 EEEB Oc1ccc(O)c(/C=N\NC(=S)N[C@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c1 102881363 OFXIRPMFRVBDKI-IATVHWEISA-N 343.452 2.497 30 40 EEEB CCCCCCCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 29747265 LLVISTSJRDWXPS-UHFFFAOYSA-N 326.828 2.448 30 40 EEEB biogenic COCCCNC(=O)[C@H](C#N)C(=O)c1cccc(C(F)(F)F)c1 103502797 ZUCVTNOKMWRXOG-GFCCVEGCSA-N 328.290 2.181 30 40 EEEB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2C#N)cc1 109760879 GILXXRKIRBKCBX-MJGOQNOKSA-N 336.391 2.333 30 40 EEEB Cc1nc(CN2CCC[C@@H](NCc3ccc(C#N)cc3F)C2)no1 69742732 QXWJIBPBWDOLJD-OAHLLOKOSA-N 329.379 2.143 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@@H](C#N)C(=O)CC(C)C)nc1 69769370 BJDUAMCQXOJYAY-CQSZACIVSA-N 337.445 2.334 30 40 EEEB C=CCNC(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 69704774 XPQLUVZUKVTJOY-UHFFFAOYSA-N 346.475 2.499 30 40 EEEB CCOC(=O)NCc1ccc(S(=O)(=O)/N=C(\O)C(C)C)cc1 48492761 GDFVSFLTTIGEPR-UHFFFAOYSA-N 328.390 2.234 30 40 EEEB N#CCOc1cccc(NC(=O)NC2CCN(C(=O)C3CC3)CC2)c1 48517157 KMBLONDXNYUQCH-UHFFFAOYSA-N 342.399 2.111 30 40 EEEB CCn1c2ccccc2c2cc(/C=N/Nc3n[nH]c(=O)[nH]c3=O)ccc21 5071746 RHVLCWPIZYRYQO-VXLYETTFSA-N 348.366 2.032 30 40 EEEB Cc1ccc(S(=O)(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1 409100398 NATPGTOVIFHGAM-UHFFFAOYSA-N 348.346 2.347 30 40 EEEB CC(C)(C)c1cc(NC(=O)Cn2cnc(C#N)n2)n(-c2ccccc2)n1 14143496 CIRFIMMUOUBLQZ-UHFFFAOYSA-N 349.398 2.272 30 40 EEEB COc1ccc(NC(=O)COc2ccccc2C#N)c([N+](=O)[O-])c1 4847016 KOEJFFWPDNZFMY-UHFFFAOYSA-N 327.296 2.493 30 40 EEEB C#CCOc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)CCC)cc1 71186139 DCMGEPILSFOJIM-GOSISDBHSA-N 342.439 2.148 30 40 EEEB C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2c(c1)CCC(=O)N2 96491027 HAHPHOOSGGJXDF-BUXKBTBVSA-N 340.427 2.030 30 40 EEEB C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(-n2ccnn2)cc1 89904957 DCJAAVMBLULREA-CQSZACIVSA-N 347.378 2.395 30 40 EEEB CC(C)c1nc(C2(NS(=O)(=O)CC3(C#N)CC3)CCCC2)no1 97144521 MSGLCBIBWWVLLE-UHFFFAOYSA-N 338.433 2.185 30 40 EEEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCc2c(ncn2C2CC2)C1 89448588 FIGNVXOSBAUQMJ-AWEZNQCLSA-N 341.459 2.307 30 40 EEEB Cc1nc(Cl)sc1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 75093431 CJINWOVFCJRLPD-LLVKDONJSA-N 326.853 2.411 30 40 EEEB Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 528970008 UUUOEFXDGULNGZ-QWHCGFSZSA-N 345.305 2.412 30 40 EEEB COc1cccc(-c2cc3nc(SCC#N)n(N)c(=O)c3s2)c1 36646164 LADHKKUJDZPKAE-UHFFFAOYSA-N 344.421 2.463 30 40 EEEB COc1ccc2occ(/C=N/c3cc(=O)[nH]c(=S)[nH]3)c(=O)c2c1 101271621 JGNGTBBFUONGAH-OMCISZLKSA-N 329.337 2.298 30 40 EEEB Cc1cccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc12 421667 XOCZWJBOJCELPV-UHFFFAOYSA-N 327.409 2.366 30 40 EEEB COc1ccccc1C1CC(=O)C(=C2N[C@H]3CCCC[C@H]3N2)C(=O)C1 9287915 XRIWSSPARJEELU-LQDVMPOASA-N 340.423 2.426 30 40 EEEB Cc1cc(/C(O)=N/S(=O)(=O)c2c(C)nn(C)c2C)sc1C 42338444 JTHYEROQILDEBB-UHFFFAOYSA-N 327.431 2.409 30 40 EEEB C=CCNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 58366964 AVFIWXSZNMPRBV-UHFFFAOYSA-N 341.392 2.163 30 40 EEEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)c(F)c1 69284225 JRQIXGFGXSRANP-NXEZZACHSA-N 349.355 2.194 30 40 EEEB Cc1cc(C)n(C[C@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1 69351412 KOLFBNVNZZDMHQ-GOSISDBHSA-N 328.391 2.412 30 40 EEEB N#CC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC2(CC1)OCCO2 69874409 NKGSXVISOGFUIZ-UHFFFAOYSA-N 349.318 2.043 30 40 EEEB CN1CCc2ncnc(N3CCCN(c4ccc(C#N)cc4)CC3)c2C1 65474271 DFXKKSBDICFRHN-UHFFFAOYSA-N 348.454 2.053 30 40 EEEB N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCc2ccc(F)cc21 65621520 RCLTVAGNDQSXAD-MRXNPFEDSA-N 339.374 2.491 30 40 EEEB Cc1nc(C)c(C#N)c(SCCN2C(=O)c3ccccc3C2=O)n1 25959363 CXXNZUIAEITEDV-UHFFFAOYSA-N 338.392 2.353 30 40 EEEB C=CCN(Cc1csc(-c2ccccn2)n1)[C@@H]1CCS(=O)(=O)C1 96443333 BZKRKDCFEHVIPY-CQSZACIVSA-N 349.481 2.380 30 40 EEEB COc1cc(C#N)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 16084342 AQNLQYPCJOPBFS-UHFFFAOYSA-N 334.309 2.243 30 40 EEEB O=C1N/C(=N\S(=O)(=O)c2ccccc2)S/C1=C\c1ccco1 5595378 TZJJIVFOMJBVAR-XFXZXTDPSA-N 334.378 2.228 30 40 EEEB N#CC1(C(=O)N2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)CCCC1 1565555567 CYCJAUXPYMAZIZ-DLBZAZTESA-N 343.427 2.023 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(N2CCCC2=O)cc1 40461018 HPBFKVJUSUZPDB-SFHVURJKSA-N 328.416 2.280 30 40 EEEB CCCN(CC#N)C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F 69419025 LMVAHDPTNJBTDW-GFCCVEGCSA-N 335.351 2.354 30 40 EEEB Cn1c(=O)c2ccccc2n2c(CNc3cccc(C#N)c3)nnc12 11549978 NFZKXJLUJRBFEG-UHFFFAOYSA-N 330.351 2.065 30 40 EEEB Cc1c(C#N)c(NC(=O)CN2CCN(C)CC2)n(C2CCCC2)c1C 29121020 GKYAGPLWNDQRJA-UHFFFAOYSA-N 343.475 2.278 30 40 EEEB N#Cc1ccc(-c2cccnc2)n(CC(=O)NC2CCCCC2)c1=O 4931806 SUIMGKOQASISKB-UHFFFAOYSA-N 336.395 2.231 30 40 EEEB CC(=O)Oc1ccccc1C(=O)OCC(=O)Nc1ccccc1C#N 2731658 WYYSTEGOOMFMEF-UHFFFAOYSA-N 338.319 2.279 30 40 EEEB COc1cc(OC)cc(C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c1 13957759 UOPBXTIIOTVBBJ-UHFFFAOYSA-N 345.311 2.089 30 40 EEEB C=CCN1CCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 67284726 AUMJXQDSRJJTLR-UHFFFAOYSA-N 346.822 2.146 30 40 EEEB CC(=O)N1C[C@@H](C(=O)Nc2sccc2C#N)Oc2ccccc21 7989752 TYWYDGXQQOTOIW-AWEZNQCLSA-N 327.365 2.372 30 40 EEEB C[C@@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccc(C#N)c1 81500960 FMJSKXSIAVPHOC-YGRLFVJLSA-N 327.306 2.328 30 40 EEEB Cc1cc(NC(=O)CNc2nccnc2C#N)ccc1Br 69392790 UAIYQCAFWMSSBZ-UHFFFAOYSA-N 346.188 2.470 30 40 EEEB CCOc1ccccc1NC(=O)CO/N=C(/N)CN1CCCC[C@@H]1C 69378724 SXOKOZIVYGYDDI-AWEZNQCLSA-N 348.447 2.187 30 40 EEEB CC(=O)N(CC/C(O)=N/S(=O)(=O)CC(C)C)Cc1ccccc1 71892435 RQOUTUHWQOMMHV-UHFFFAOYSA-N 340.445 2.368 30 40 EEEB CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCc2nccn2C1 72278724 LCRVBXMQOUBFJJ-CRAIPNDOSA-N 338.411 2.289 30 40 EEEB C[C@H]1CCc2ccccc2N1S(=O)(=O)/N=C(\O)C1CCOCC1 78556656 STNJDZDFMJNKIS-LBPRGKRZSA-N 338.429 2.456 30 40 EEEB Cn1ccc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 81509904 LBCUJGDWUALVCJ-UHFFFAOYSA-N 341.390 2.068 30 40 EEEB N#Cc1ccc(NC(=O)c2ccc(C(N)=O)cn2)cc1C(F)(F)F 96443148 CLGXURQRUQVWDF-UHFFFAOYSA-N 334.257 2.323 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1CCO[C@H](c2nccs2)C1 97203720 JAXHCMCRASIZRL-LBPRGKRZSA-N 348.453 2.478 30 40 EEEB Cc1c(C#N)c(NC(=O)[C@H](C)S(C)(=O)=O)n(-c2ccccc2)c1C 611467134 QPRKLIGAFZMDBT-ZDUSSCGKSA-N 345.424 2.337 30 40 EEEB N#Cc1ccccc1OCCSc1nnc(N2CCOCC2)s1 63130995 NGMGHGBLRTVOIQ-UHFFFAOYSA-N 348.453 2.417 30 40 EEEB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776400 KORAHWPEIUKOSJ-LLVKDONJSA-N 342.424 2.228 30 40 EEEB CC(=O)Nc1cccc(C(=O)O/N=C2/C=C/C(=N\O)C=C2C)c1O 100154998 HHPZCJVIRJSACT-FQEJOAFASA-N 329.312 2.210 30 40 EEEB N#Cc1cnc(SCc2ccc(C(=O)N3CCCC3)cc2)nc1N 24726517 RPEYLDMQCUZRJF-UHFFFAOYSA-N 339.424 2.459 30 40 EEEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC2(O)CCCCC2)C1=O 58323818 VHJUIJYKUTUTEI-KRWDZBQOSA-N 327.384 2.020 30 40 EEEB CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 58407498 DPTRJOIBZJPDQI-JXMROGBWSA-N 346.364 2.399 30 40 EEEB COc1cccc(/C=N/n2c(C)nnc(-c3ccccc3)c2=O)c1O 27027923 ZKNIWBATIBZCKN-YBFXNURJSA-N 336.351 2.210 30 40 EEEB CC(C)(C)NC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N 12979337 RWLCDVVPAPWZKB-UHFFFAOYSA-N 333.335 2.272 30 40 EEEB Cc1c(CNC[C@H](c2cccs2)N2CCOCC2)cc(C#N)n1C 72276793 TVOWPOUWRBBSEG-QGZVFWFLSA-N 344.484 2.430 30 40 EEEB CCC[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1F 79101697 UFFLEQHWECOJNW-AWEZNQCLSA-N 348.353 2.187 30 40 EEEB C[C@@H]1CN(CC(=O)Nc2sccc2C#N)CCN1c1nccs1 95351807 QSBRZKAUAFVXMN-LLVKDONJSA-N 347.469 2.225 30 40 EEEB C[C@](C#N)(NC(=O)CNC1(c2cccc(F)c2)CCOCC1)C1CC1 95418662 AFEFUWZVRNFXRA-GOSISDBHSA-N 345.418 2.229 30 40 EEEB CC(C)n1cc(C#N)c(NC(=O)N2CCc3ccccc3[C@H]2CO)n1 95434540 KGVWCTCDBHAXSF-MRXNPFEDSA-N 339.399 2.459 30 40 EEEB N#Cc1ccc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)nc1 329102811 DATBBLDLPOLVRU-UHFFFAOYSA-N 346.438 2.436 30 40 EEEB N#Cc1cccnc1N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 73413864 LGJJSIIULVCSIG-UHFFFAOYSA-N 344.422 2.461 30 40 EEEB Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(C#N)cc3)C[C@H]21 96081733 WLNVPUBKFMKDQS-MOPGFXCFSA-N 338.411 2.253 30 40 EEEB N#Cc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)cc1 1888901321 MFMGJICIXZTQSX-RTBURBONSA-N 345.402 2.175 30 40 EEEB CCOC(=O)c1cc[n+](CC(=O)c2cc3ccccc3oc2=O)cc1 2482056 YCCGCGZHQFMNLA-UHFFFAOYSA-N 338.339 2.140 30 40 EEEB C=CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908688 KKHJGBIRUSYQPY-JOQOYGCGSA-N 346.358 2.039 30 40 EEEB CCc1cc2c(NCCCc3n[nH]c(N)c3C#N)ncnc2s1 24059149 AXMQUECLQZFEIM-UHFFFAOYSA-N 327.417 2.475 30 40 EEEB C=CCN1C(=O)c2ccc(C(=O)OCc3cc(C)no3)cc2C1=O 24416428 VXWWWYFPQQJDBB-UHFFFAOYSA-N 326.308 2.122 30 40 EEEB C=CCNC(=S)N/N=C(\C)c1c(O)c2ccccc2n(CC)c1=O 100357603 ZEKYRJZJQHDKHS-YBFXNURJSA-N 344.440 2.101 30 40 EEEB CCN1CCN(c2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2F)CC1 58268223 XGFCEKGPUMLVEP-AWEZNQCLSA-N 332.423 2.199 30 40 EEEB N#Cc1c(N2CCCC2)nn2cc(C(=O)c3ccccc3O)cnc12 14184468 DIGVYHZJEHJQLF-UHFFFAOYSA-N 333.351 2.138 30 40 EEEB N#Cc1c(NC(=O)CSc2nnnn2C2CC2)sc2c1CCC2 8232444 IQWXGQJQRFYKFK-UHFFFAOYSA-N 346.441 2.161 30 40 EEEB COCCN(CCC#N)S(=O)(=O)c1cccc(C(F)(F)F)c1 70009268 KCYHDDXQDMGQGH-UHFFFAOYSA-N 336.335 2.256 30 40 EEEB Cc1nc(NS(=O)(=O)c2cccs2)n(-c2ccc(C#N)cc2)n1 89718032 NYUMAPONSUWJHQ-UHFFFAOYSA-N 345.409 2.310 30 40 EEEB N#Cc1nccnc1N1CCCN(C(=O)CCc2ccccc2)CC1 89830438 JSHAZUVTZLTOHQ-UHFFFAOYSA-N 335.411 2.020 30 40 EEEB N#Cc1ccc(N2CCN(CCOC[C@@H]3CCCO3)CC2)c(F)c1 96421102 KWEOPOQWGJVEMW-INIZCTEOSA-N 333.407 2.015 30 40 EEEB N#Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(F)c1 95417156 IDORUCFNNHBZQM-MRXNPFEDSA-N 340.358 2.455 30 40 EEEB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/n2cnnc2)c1C 408911635 AMSYKNGETKDKTE-UFWORHAWSA-N 340.343 2.485 30 40 EEEB O=S(=O)(NCC#CCN1CCc2ccccc2C1)c1cccs1 75165078 KPLIEIDDMKTXBG-UHFFFAOYSA-N 346.477 2.088 30 40 EEEB C=CCN1CCC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O 96157792 BYPGMJAUJAYQKS-UHFFFAOYSA-N 330.403 2.395 30 40 EEEB N#Cc1cccnc1NCCNC(=O)CCc1cccc([N+](=O)[O-])c1 96461559 HVLLFFQCKNSOAU-UHFFFAOYSA-N 339.355 2.022 30 40 EEEB C=CCO[C@@H](C)C(=O)Nc1ccc(I)cn1 96423219 GEFOVWGCRRBWPQ-QMMMGPOBSA-N 332.141 2.216 30 40 EEEB CC(C)S(=O)(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 96455300 KZXQSJSRCCYZSZ-UHFFFAOYSA-N 336.457 2.225 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 79310019 BJJCQKYWNNDZES-LJQANCHMSA-N 330.391 2.408 30 40 EEEB O=C(O)C(=N/Nc1ccccc1)/C(=N\Nc1ccccc1)C(=O)O 16892277 JBCIWHUXUYBMAH-IWGRKNQJSA-N 326.312 2.092 30 40 EEEB COc1ccc(CN2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)cn1 1889109272 CLDXSLZRBLEGIQ-DLBZAZTESA-N 335.411 2.068 30 40 EEEB C#CCOc1ccccc1CNCc1ccc(N2CCOCC2)nc1 30636829 GTHBRMGDQCPIJZ-UHFFFAOYSA-N 337.423 2.220 30 40 EEEB N#CC1(C(=O)N2CCN(CCOc3ccccc3)CC2)CCCC1 32080831 LNTQKYSBMRUOGJ-UHFFFAOYSA-N 327.428 2.294 30 40 EEEB O=C(CN1CCN(C/C(O)=N/C2CC2)CC1)c1c[nH]c2ccccc12 22775875 GWFGRHWSWJBIHC-UHFFFAOYSA-N 340.427 2.087 30 40 EEEB C[C@H](NC(=O)NCCCc1n[nH]c(N)c1C#N)c1ccc(F)c(F)c1 44909842 IQCAEABBBUIRQR-VIFPVBQESA-N 348.357 2.135 30 40 EEEB N#C[C@@]1(NC(=O)CCCN2C(=O)CCc3ccccc32)CCSC1 69900355 JIJLXIRUBNYTDO-SFHVURJKSA-N 343.452 2.261 30 40 EEEB CN1CCc2ncnc(N3CCCN(c4ccccc4C#N)CC3)c2C1 65467419 GYZKZCJAIIUNKY-UHFFFAOYSA-N 348.454 2.053 30 40 EEEB CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCc2nccn2C1 72278723 LCRVBXMQOUBFJJ-QAPCUYQASA-N 338.411 2.289 30 40 EEEB Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1cc(C#N)ccc1C 95433116 FTVCHWCNRPWWNT-INIZCTEOSA-N 330.409 2.187 30 40 EEEB N#CC1(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 95439539 BFVAFIMMZMBINE-UHFFFAOYSA-N 331.173 2.421 30 40 EEEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)OC)C1=O 408533002 PDMYKMCHVNDBJJ-LCYFTJDESA-N 333.365 2.461 30 40 EEEB N#Cc1cccc(CN2C(=O)[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)c1 97236031 BVCRNYVOOFZERN-KDURUIRLSA-N 345.402 2.175 30 40 EEEB N#Cc1cccc(CN2CCc3ncc(CN4CCCC4)n3CC2)c1 96196855 XUQLTIIGBHWFRP-UHFFFAOYSA-N 335.455 2.409 30 40 EEEB Cc1cc(/C=N/N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 6714430 BEPOSFODKJAWDA-GYKGCMEESA-N 331.441 2.205 30 40 EEEB C=CCn1c(S[C@H](C)C(=O)NC2CC2)nc2ccsc2c1=O 11271919 WRXMNQGTEOUJOG-SECBINFHSA-N 335.454 2.403 30 40 EEEB COCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1 3088899 QYQDUTFBWMWGNF-OAHLLOKOSA-N 343.379 2.167 30 40 EEEB CSCCC(=O)[C@H](C#N)c1nc(N)nc(Nc2ccccc2)n1 69842147 CYPVPHQJPJOCPC-NSHDSACASA-N 328.401 2.127 30 40 EEEB COc1cccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)c1 18191100 HWBHAAQSTGYDIF-UHFFFAOYSA-N 339.380 2.147 30 40 EEEB CO/N=C\NC(=O)NOCc1ncc(C(F)(F)F)cc1Cl 13396147 PYQRKWRWWDEMTM-UHFFFAOYSA-N 326.662 2.074 30 40 EEEB C=CCN(CC(=O)NC1CCOCC1)c1nc2c(s1)CCCC2 95395079 GMOCQIYWZHSPDA-UHFFFAOYSA-N 335.473 2.310 30 40 EEEB CC[C@H](C#N)S(=O)(=O)NCc1cc(F)cc(Br)c1 95439622 UZAJDFQHZMSSBC-LLVKDONJSA-N 335.198 2.310 30 40 EEEB C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1 95433100 YQWFSJHDNYGAQC-GUYCJALGSA-N 330.409 2.001 30 40 EEEB Cc1cccc2c(N3CCC[C@H](N4CCNC4=O)C3)c(C#N)cnc12 75147384 RKSMNQQAFMPMRS-HNNXBMFYSA-N 335.411 2.409 30 40 EEEB COc1cc(C#N)ccc1OC/C(O)=N/c1nc(C(C)C)nn1C 78912888 BRAKGVXIJIJOSN-UHFFFAOYSA-N 329.360 2.486 30 40 EEEB CO[C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 225510894 PFXCPIDMRYPQPL-TZMCWYRMSA-N 334.395 2.000 30 40 EEEB N#Cc1ccccc1-c1ccc(CN2CCC[C@@](O)(CC(N)=O)C2)cc1 591645638 RLYWJXBKANZKOE-OAQYLSRUSA-N 349.434 2.428 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 48382528 OGHUMLUMUJMOOB-HUUCEWRRSA-N 328.368 2.208 30 40 EEEB CC(C)(C#N)C(=O)N1CCN(c2ccc(Br)cn2)CC1 55328415 DMYNNYQENKJTJI-UHFFFAOYSA-N 337.221 2.042 30 40 EEEB CSc1ncc(C#N)c(N(C)Cc2ccc3c(c2)OCCO3)n1 1889128284 UQWCBKSOYDFUGO-UHFFFAOYSA-N 328.397 2.478 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(C(=O)C4(F)CCC4)C3)C2)n1 1565549345 PVMJABJIWMRTKL-RHSMWYFYSA-N 344.390 2.017 30 40 EEEB NC(=S)N/N=C/c1ccc(OCCOc2ccccc2F)cc1 27023500 HHVJAKWPJZEOGP-YBFXNURJSA-N 333.388 2.451 30 40 EEEB O=C1NN=C(c2ccc(Cl)cc2)/C(=N/Nc2ccccc2)C1=O 100092150 UPFBFEBWSVTEPL-ZHZULCJRSA-N 326.743 2.211 30 40 EEEB C[C@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 40132945 OIXNUSZGYQLBFY-AWEZNQCLSA-N 335.411 2.442 30 40 EEEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C/C(=O)c1ccco1)C(=O)O2 100820596 YRIINUSRBWQNLE-FMIVXFBMSA-N 347.348 2.171 30 40 EEEB Cc1nc(CN2CCC[C@H](NCc3cc(C#N)ccc3F)C2)no1 69664971 CAYWYDCSIBMMAQ-HNNXBMFYSA-N 329.379 2.143 30 40 EEEB COc1cc2c(cc1/C=C/C(=O)[C@@H]1C(=O)C=C(C)OC1=O)O[C@H](C)C2 103404915 PFMMDCNRVMMRPK-SUEOZMCXSA-N 342.347 2.247 30 40 EEEB Cc1cc(C)c(C#N)c(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 91481218 LWKCHAUCBKMGKS-CQSZACIVSA-N 326.375 2.465 30 40 EEEB CC(=O)Nc1cccc(/C(C)=N/NC(=S)NC[C@@H]2CCCO2)c1 5166466 VUZNEWQNZIXWAD-BKQORJHRSA-N 334.445 2.012 30 40 EEEB Cc1cccn2c(=O)c(/C=N/O)c(Nc3ccc([N+](=O)[O-])cc3)nc12 5394631 QBUIZNWNGHVLPD-RQZCQDPDSA-N 339.311 2.463 30 40 EEEB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccccc2)NC(=O)N1 8718079 KCTIIDKPKPGDOX-CYBMUJFWSA-N 342.376 2.412 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@H](O)C2CCCC2)c(Cl)c1 96001977 HRCYDGNHPSRSTA-ZDUSSCGKSA-N 328.821 2.041 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NCCc2ccc(C)c(OC)c2)c1 96422099 DNWLZOUFBNCLKB-UHFFFAOYSA-N 336.391 2.282 30 40 EEEB CC[C@H](CS(=O)(=O)Nc1c(C)c(C#N)nn1-c1ccccc1)OC 585129043 VVHABJKCTQHMQZ-CQSZACIVSA-N 348.428 2.219 30 40 EEEB Cc1cn(C[C@@](C)(O)C(F)(F)F)c(=O)n1-c1ccc(C#N)cc1 281840534 LMDKMNZTLVRHAG-CQSZACIVSA-N 325.290 2.132 30 40 EEEB COc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(C)cc1 1436933 BBPYNUSXFTYMNM-VXLYETTFSA-N 338.371 2.034 30 40 EEEB CC1=C(C)/C(=N\OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C=CC1=O 5719209 LLLPCVGONSHOQM-SQFISAMPSA-N 336.325 2.131 30 40 EEEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)N1CCOCC1 3167593 GITQPEJPEQOJJD-MOSHPQCFSA-N 345.321 2.326 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)C1 225801103 JCBNMIDFENPFPO-CQSZACIVSA-N 333.351 2.123 30 40 EEEB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1nnc(C)c(C)c1C#N 69668704 SEPAXAOSXWHJLT-HOTGVXAUSA-N 327.432 2.335 30 40 EEEB N#Cc1ccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2C[C@@H]2CCCO2)cc1 69742446 MHKPMXUPFRCDGX-ZMSDIMECSA-N 328.368 2.102 30 40 EEEB COc1cc(C=Nn2cnnc2)ccc1OC(=O)c1cccs1 8629901 RCALTLYCCNWLJR-UHFFFAOYSA-N 328.353 2.450 30 40 EEEB N#Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2F)c1 14185330 VVEHYSSFZJAHMK-UHFFFAOYSA-N 332.356 2.500 30 40 EEEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CC(C)C)c2)c1 14141135 LQWPZTCCHFRNDU-UHFFFAOYSA-N 326.352 2.321 30 40 EEEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@H](CCSC)C2=O)c1C 6593936 BYNUNBPBPZNTHF-AWEZNQCLSA-N 349.456 2.147 30 40 EEEB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](C#N)CCC#N)C1=O 7206684 ORPDUOITNSXZQR-YJYMSZOUSA-N 336.395 2.386 30 40 EEEB CC(C)Cn1ccnc1CNS(=O)(=O)c1ccc(CC#N)cc1 97052400 RXGOFKZUJVQGQH-UHFFFAOYSA-N 332.429 2.084 30 40 EEEB Cn1c(N[C@H]2c3ccccc3CCC2(C)C)c(C#N)c(=O)n(C)c1=O 84673604 TXVKKMGHZWUNLK-HNNXBMFYSA-N 338.411 2.081 30 40 EEEB C=CCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCC2 32106044 NCCQLAYIILQOIZ-QGZVFWFLSA-N 342.439 2.487 30 40 EEEB CCOCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 11396965 QCPGGDWXRMYIEK-UHFFFAOYSA-N 336.413 2.407 30 40 EEEB C[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)n1ccnc1 45877259 OMGLXTDKDZANSJ-INIZCTEOSA-N 337.427 2.050 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 6623564 XHNPYTDJISARNI-UHFFFAOYSA-N 345.399 2.208 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCO2)s1 69283248 MZDYCDVKQMHQOO-MNOVXSKESA-N 333.431 2.286 30 40 EEEB C=CCNC(=O)N(C)C1CCN(c2ncnc3ccccc23)CC1 70020387 MOXVXWFCONLBRO-UHFFFAOYSA-N 325.416 2.426 30 40 EEEB C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 3610232 QXYWZPLWJIBMRS-UHFFFAOYSA-N 349.481 2.268 30 40 EEEB Cc1c(C#N)c(=O)ncn1N(C)c1ncc(C(F)(F)F)cc1Cl 4040881 ILCSAFBWVGEXJL-UHFFFAOYSA-N 343.696 2.390 30 40 EEEB COCCN(C1CCCC1)S(=O)(=O)c1ccc(F)c(C#N)c1 69420981 QAZOVZLLHQVLKW-UHFFFAOYSA-N 326.393 2.277 30 40 EEEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408805986 DKMQTXPAIWKAFY-GHRIWEEISA-N 346.342 2.365 30 40 EEEB CC(=O)/C=C1\C(=S)Nc2ccccc2N=C1N1CCN(C)CC1 65748290 UZXKASHICBLMCC-QBFSEMIESA-N 328.441 2.232 30 40 EEEB in-vitro Cc1nnc(CN(Cc2cccc(C#N)c2)C[C@H]2CCCO2)n1C 96721136 NGFPEPZNFBGEJG-QGZVFWFLSA-N 325.416 2.176 30 40 EEEB C=CCOc1c(Cl)cc([C@H]2CC(=O)N=C3NC=NN32)cc1OC 38303792 DRTMVFSVTRSSMY-LLVKDONJSA-N 334.763 2.089 30 40 EEEB CSc1[nH]c(=O)c(C(=O)Nc2cccc(C(C)=O)c2)cc1C#N 69351857 QDBLKSUWYIHTBM-UHFFFAOYSA-N 327.365 2.423 30 40 EEEB CCN(CC#N)S(=O)(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 1615585584 JKAPZEUDWFFPHR-OLZOCXBDSA-N 343.246 2.480 30 40 EEEB CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)NCCN(C)C 5591993 ZQYSSHYGNQNJSE-UHFFFAOYSA-N 347.246 2.433 30 40 EEEB O=C1C=CC(=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C=C1 4134578 DSXCXUDNZPAWLS-UHFFFAOYSA-N 326.717 2.073 30 40 EEEB COc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(NC(C)=O)cc1 46709140 SQDCDLJPEWRIBX-UHFFFAOYSA-N 348.380 2.347 30 40 EEEB C#CCNC(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 22761815 ICEZVWLLHSWYPY-UHFFFAOYSA-N 342.420 2.265 30 40 EEEB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)c1 69917852 FQAFBXVAXWXQCR-OLZOCXBDSA-N 329.404 2.451 30 40 EEEB CC(=O)N[C@@H](CC(=O)NC1(C#N)CCCC1)c1c(F)cccc1F 67152518 SAYXTHYSRMCYAZ-AWEZNQCLSA-N 335.354 2.485 30 40 EEEB C=CCn1cnnc1SCC(=O)Nc1cccc(NC(C)=O)c1 8719208 IFHFFEXVPGMHBA-UHFFFAOYSA-N 331.401 2.153 30 40 EEEB N#C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc(Cl)c(Cl)c1 68457509 SAFBSWYVDGGOOW-JOYOIKCWSA-N 326.183 2.200 30 40 EEEB C#CCN(C(=O)C/C=C/c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 96460898 PHDCALLGWJLTMP-LAQIPUCWSA-N 331.437 2.047 30 40 EEEB Cc1cc([C@@H]2CCCN2C(=O)CN(C)c2ccc(C#N)cn2)no1 71827019 UZTDXPLGUNBSBZ-HNNXBMFYSA-N 325.372 2.050 30 40 EEEB C=CCN(CCc1cnn(C)c1)S(=O)(=O)c1cccc(Cl)c1 77238547 JKKXKDDFRSQONK-UHFFFAOYSA-N 339.848 2.493 30 40 EEEB Cc1cc(N2CCCN(C(N)=O)CC2)n2c(nc3ccccc32)c1C#N 78480167 OURKTLQFOXUIQP-UHFFFAOYSA-N 348.410 2.258 30 40 EEEB Cc1c(C#N)cccc1NC(=O)N(C)CCN1C[C@H](C)O[C@H](C)C1 193929080 MBWCNNFXFJIUKS-OKILXGFUSA-N 330.432 2.440 30 40 EEEB C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)C(C)C)[C@H]12 13585446 SKAOENNHESXSCC-SVAVSBTGSA-N 332.396 2.453 30 40 EEEB biogenic,in-vitro Cc1nc2ccccc2c(=O)n1NC=C1C(=O)CC(C)(C)CC1=O 6816742 DYZXWNPQHVZOIC-UHFFFAOYSA-N 325.368 2.091 30 40 EEEB CC/N=C(\NCc1ccnn1C)NC[C@H]1CCO[C@@H]1c1ccccc1 104202003 BYIVFUQDNMQKRV-SJLPKXTDSA-N 341.459 2.253 30 40 EEEB CN1CCc2nc(NC(=O)COc3ccc(C#N)cc3)sc2C1 23608088 GOCLQSRVVHWQBF-UHFFFAOYSA-N 328.397 2.020 30 40 EEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@@H](O)c2ccccc2)C1=O 24092194 OELYWZVAXZUVNA-VQIMIIECSA-N 335.363 2.059 30 40 EEEB CCOC(=O)N[C@@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 58244555 BPCKHDMMAIBZLE-ZNFPLGDCSA-N 327.384 2.309 30 40 EEEB CN(CCc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1Cl 96001933 HWCKSGGLSZESBE-UHFFFAOYSA-N 335.816 2.470 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2)c1 78814066 LDBCQKWIZGACFM-GOSISDBHSA-N 347.418 2.310 30 40 EEEB O=C(O)C[C@H]1C(=O)N2CCSC2=C1C(=O)c1ccccc1Cl 62716482 QUTUBTHUFGXVOV-SECBINFHSA-N 337.784 2.414 30 40 EEEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cnn(C)c2)cc1 78556427 UUVKEDRKTZBQTP-CABCVRRESA-N 349.412 2.268 30 40 EEEB Cn1cc([C@H]2C[C@@H]2/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)cn1 78556483 HSZYOFGGROEBRD-CVEARBPZSA-N 345.424 2.358 30 40 EEEB C/N=C(/NCC1(C(=O)N(C)C)CCCC1)N[C@H](C)c1ccc(C)o1 88880397 PBOCOPCAELXREP-CQSZACIVSA-N 334.464 2.463 30 40 EEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)Nc2cccs2)C1 225488648 NNUSGJNJPRWVFL-NSHDSACASA-N 329.385 2.485 30 40 EEEB C/N=C(\NCc1nncn1C)NCC(c1ccccc1)c1ccccc1 95397517 JHQZYZOUUIGYSP-UHFFFAOYSA-N 348.454 2.312 30 40 EEEB Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)COC[C@H]1CCCO1 585124599 IWWYNLVTKFCBTK-OAHLLOKOSA-N 340.383 2.187 30 40 EEEB CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC(=O)O)cc1 390834530 AUJRKGPSGMCFFL-UHFFFAOYSA-N 345.380 2.028 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)cc1 585101569 CIOHMYBRVPKSBE-GOSISDBHSA-N 341.386 2.406 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1N1CCC(O)CC1 55888104 OJGJWRYDAQOCHK-LJQANCHMSA-N 344.459 2.114 30 40 EEEB C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(N2CCCC2)nc1C 154701246 WCKXRTSCDSGOCL-UHFFFAOYSA-N 330.432 2.353 30 40 EEEB N#Cc1ccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2087132255 FAJYXOYWPNDRMQ-MRXNPFEDSA-N 349.381 2.017 30 40 EEEB COC1(OC)[C@H](/C=C/c2ccccc2)C(C#N)(C#N)C1(OC)OC 340861 NXUPXBDUVJSWJJ-AUECHBEKSA-N 328.368 2.341 30 40 EEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccs1 8743539 WRWBEDAGZRAITG-MRPLLJTBSA-N 346.408 2.324 30 40 EEEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCC 37143321 FAXPFZGKDQYFDU-SFHVURJKSA-N 328.368 2.105 30 40 EEEB Cc1nn(C[C@@H](O)c2ccccc2C(F)(F)F)c(=O)c(C#N)c1C 58356111 QWJKGGXMZPGAHS-CQSZACIVSA-N 337.301 2.484 30 40 EEEB CC(C)COCC/C(O)=N/S(=O)(=O)c1ccccc1[N+](=O)[O-] 48423607 BWCSWFCOLUNJIK-UHFFFAOYSA-N 330.362 2.303 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 12901918 ALWQXKQHRWTGOH-UHFFFAOYSA-N 335.407 2.395 30 40 EEEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)cc1 4716170 FKKXTMXLKGDDSG-OAHLLOKOSA-N 326.356 2.305 30 40 EEEB Cc1ccn(CC(=O)N2CCSc3ccccc32)c(=O)c1C#N 97141207 RFRCCEFTZUKVCX-UHFFFAOYSA-N 325.393 2.167 30 40 EEEB COc1ccccc1[C@H](C)C/C(O)=N/S(=O)(=O)c1cnn(C)c1 78410961 SAOKGLANYYUPCO-LLVKDONJSA-N 337.401 2.268 30 40 EEEB O=C1NN=C(C(F)(F)F)/C1=N/Nc1ccc(Br)cc1 13407926 VCURCGOMCFXDRN-UHFFFAOYSA-N 335.083 2.265 30 40 EEEB biogenic N#Cc1cccc(OC[C@H]2CO[C@@H]3CN(Cc4ccncc4)C[C@@H]32)c1 96219320 PCDGNNJTLFEATB-DFQSSKMNSA-N 335.407 2.479 30 40 EEEB COC(=O)[C@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 96403612 JNIQUKOHWSWKIN-STQMWFEESA-N 340.301 2.258 30 40 EEEB C=CCN1C[C@@H]2CN(Cc3ccccn3)CCC[C@]2(C(=O)OCC)C1 96055978 OONHENHSDADNQW-PXNSSMCTSA-N 343.471 2.345 30 40 EEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)C4CC=CC4)C3)CC2=O)cc1 96238869 UICLTOCHMZUERD-FQEVSTJZSA-N 335.407 2.480 30 40 EEEB N#CC1(OCCS(=O)(=O)N[C@H](Cc2ccccc2)C2CC2)CCC1 1615615599 YXHJINCYKIOJQZ-QGZVFWFLSA-N 348.468 2.390 30 40 EEEB COc1ccc(CN2CCCN(c3ccc(C#N)c(N)n3)CC2)cc1 594543084 VLHYSCXOSSWLPT-UHFFFAOYSA-N 337.427 2.256 30 40 EEEB CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H](C#N)c2ccccc2F)nn1 73336858 CPXCUGIGAIEPNB-ZDUSSCGKSA-N 343.362 2.027 30 40 EEEB C=CCC1([C@@H](CC(=O)CCC)c2ccccc2)C(=O)NC(=O)NC1=O 5002807 MAMHNWXQNRQJGV-HNNXBMFYSA-N 342.395 2.458 30 40 EEEB Cc1cc2nnc(SCC(=O)Nc3sccc3C#N)n2c(C)n1 33034727 MCCURSVPHFKZLJ-UHFFFAOYSA-N 344.425 2.405 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)c3ccc(OC)cc3C)CC[C@@H]2C1 1565551846 WHWUPFSTBVHARL-VQIMIIECSA-N 344.455 2.353 30 40 EEEB Cc1nnc(N2CCN(CCOc3ccccc3)CC2)c(C#N)c1C 24054101 YNLOCRKGFXSYIW-UHFFFAOYSA-N 337.427 2.166 30 40 EEEB N#CC1(NC(=O)CSc2nnnn2-c2ccccc2)CCCCC1 3340633 GFADKTKSCHTBGH-UHFFFAOYSA-N 342.428 2.097 30 40 EEEB CC[C@@H](C#N)S(=O)(=O)NCC#Cc1ccc(C(F)(F)F)cc1 89941828 UNJMWSMGHAUVOW-ZDUSSCGKSA-N 330.331 2.278 30 40 EEEB CCSc1ccc(/C(O)=N/S(=O)(=O)c2c(C)noc2C)cn1 89275317 DVZLECAEIJBHDX-UHFFFAOYSA-N 341.414 2.492 30 40 EEEB O=C1/C(=C/c2ccccn2)Oc2c1ccc(O)c2CN1CCOCC1 41513223 XEQXPSQWZSCDRW-BOPFTXTBSA-N 338.363 2.236 30 40 EEEB N/C(=N/OCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 15572834 APDZDPNUKOYDHZ-UHFFFAOYSA-N 347.758 2.344 30 40 EEEB Cc1ccc2c(c1)[C@]1(C)C=C(CN3CCN(C)CC3)C(=O)C[C@@H]1O2 19364745 ZULLLCBLCVVHKZ-PMACEKPBSA-N 326.440 2.160 30 40 EEEB N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 11229099 OXFTZXXNDCXDIQ-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB Cn1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2ccc(Cl)cc2)n1 101821977 MLUDGJVEOHRYIX-LVDDQXARSA-N 328.759 2.434 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 106869888 RHQQLCMXOXXSOP-OUJBWJOFSA-N 338.816 2.453 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 13582998 NMKYUBDIARGHNB-FRRDWIJNSA-N 340.383 2.024 30 40 EEEB CC(C)c1noc(CCCNc2ncnc3c2cnn3CCC#N)n1 65519983 XDLZPGLTNRBVBJ-UHFFFAOYSA-N 340.391 2.291 30 40 EEEB C=CCN(Cc1cc(Cl)cc2c1OCC2)[C@H]1CCS(=O)(=O)C1 96008774 HDLLGCXFDCHASJ-HNNXBMFYSA-N 341.860 2.450 30 40 EEEB C#CCN1CCC(C(=O)N2CCCc3cc(OC)ccc3C2)CC1 95349334 PLDCDDITCPAEDB-UHFFFAOYSA-N 326.440 2.315 30 40 EEEB N#Cc1ccc(CNC(=O)N2CC[C@@H](Oc3ccncc3)C2)c(F)c1 95413451 CRTZICAQCGCADC-MRXNPFEDSA-N 340.358 2.455 30 40 EEEB Cc1cc(N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c(C#N)cn1 517559074 VLXCCRDRDMFJHD-GJZGRUSLSA-N 326.379 2.105 30 40 EEEB C#CCOC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 49031830 DLXNMEMQLFXDLN-CYBMUJFWSA-N 327.833 2.391 30 40 EEEB CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]21 44960190 QQJPAXYKZQBUAX-QMHWVQJVSA-N 333.384 2.487 30 40 EEEB in-vitro C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@@H]34)[C@@]2(O)CC1 85932070 FEKFUWWVNCCROX-RBUQIHAASA-N 346.423 2.271 30 40 EEEB N#Cc1ccc(Cn2ncc3c2C[C@@H](O)CC3)c(Br)c1 332031143 VZMTZTFGNJTJKQ-ZDUSSCGKSA-N 332.201 2.415 30 40 EEEB COc1ccc(/C(N)=N/OC(=O)c2ccc(OC)c(OC)c2)cc1 18173002 JIVMDXCGISMCIZ-UHFFFAOYSA-N 330.340 2.190 30 40 EEEB biogenic O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1ccc(F)cc1 12378296 PQAIDXXYCKVEPR-HTXNQAPBSA-N 348.399 2.293 30 40 EEEB C#CCn1/c(=N/C(=O)c2snnc2C)sc2cccc(F)c21 100875968 YBWRIBNKDFCUGM-PEZBUJJGSA-N 332.385 2.376 30 40 EEEB N/C(=N\C(=O)Cc1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2o1 59428117 JZMHZNYWNSYUOV-UHFFFAOYSA-N 339.311 2.232 30 40 EEEB Cc1csc(CCCNC(=O)C#Cc2ccc3c(c2)OCO3)n1 89705486 DOICAAGAPNTDJC-UHFFFAOYSA-N 328.393 2.281 30 40 EEEB CNC(=O)NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 10399412 PIGMBIHZJNSSOE-ZETCQYMHSA-N 346.334 2.217 30 40 EEEB C=CCOc1ccc(/C=N/N2C(=O)N[C@@](C)(CC)C2=O)cc1OC 3579500 LWFCUAFRIGJSHJ-SZLZGVTBSA-N 331.372 2.314 30 40 EEEB NC(=O)c1ccc[n+](CC(=O)Nc2ccc(-c3ccccc3)cc2)c1 13135254 NCJBOSVMDOCPMS-UHFFFAOYSA-O 332.383 2.379 30 40 EEEB CC(C)(C(=O)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 69777115 AVZCDYCTFINXMT-UHFFFAOYSA-N 346.383 2.480 30 40 EEEB Cn1cc(C#N)c(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1 96007380 QGGKQXKRUCAYKF-UHFFFAOYSA-N 338.289 2.414 30 40 EEEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)C1=Cc2ccccc2OC1 71892446 OCKMFAAKLKUQJQ-CQSZACIVSA-N 337.397 2.318 30 40 EEEB C#Cc1cccc(NC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1 72230592 UAKOEGRUBRIREW-HOCLYGCPSA-N 343.427 2.063 30 40 EEEB C=C(Br)CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 69845604 JRULRWZNJMLSRF-QWHCGFSZSA-N 343.265 2.440 30 40 EEEB COC(=O)C[C@H](NC(=O)CC#N)c1ccc(Br)cc1 153536736 NGDQNMLLGPVLKH-NSHDSACASA-N 325.162 2.083 30 40 EEEB O=S(=O)(N/N=C\c1ccco1)c1ccc(Br)cc1 32578352 LRPFPVCSKOLMFB-JYRVWZFOSA-N 329.175 2.355 30 40 EEEB N#Cc1cccc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)c1 108533921 GADIOXPPVJCXQG-UHFFFAOYSA-N 333.395 2.455 30 40 EEEB O=C1C=C[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1N2c1ccccc1 102664438 KCUXRZNMROURKA-AITUJVMLSA-N 344.370 2.189 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1[N+](=O)[O-] 500637 DYZVINKXLVASDM-CYBMUJFWSA-N 344.323 2.059 30 40 EEEB N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3cccs3)c2)CCO1 106350001 WNXIYCZYALDCSS-AWEZNQCLSA-N 341.392 2.105 30 40 EEEB C=CCNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 5830688 AUINMUGEHVIMPZ-GZTJUZNOSA-N 333.417 2.179 30 40 EEEB COCC[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 79051506 AQJNXFHDNDFKRK-SECBINFHSA-N 336.335 2.280 30 40 EEEB C[C@H](NC(=O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 32916075 NCTLEXHKPIZDAT-LBPRGKRZSA-N 343.408 2.421 30 40 EEEB C[C@H](C(=O)NC1CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 195580577 MYQAHHWKOKHHSC-MRVPVSSYSA-N 346.330 2.018 30 40 EEEB COC(=O)C1=C(C)N/C(=C/c2ccc3c(c2)OCC(C)(C)CO3)C1=O 225370271 VRNWPGVMGWMWGP-NTUHNPAUSA-N 343.379 2.444 30 40 EEEB CO[C@]1(c2nnc(COc3cc(Cl)ccc3C#N)o2)CCOC1 591599504 IDFGJENTYWMILV-OAHLLOKOSA-N 335.747 2.436 30 40 EEEB O=S1(=O)C[C@@H](/N=C/c2ccccc2)[C@@H](/N=C/c2ccccc2)C1 16672987 BHNGETIZDQQTPY-NKHMANROSA-N 326.421 2.390 30 40 EEEB CC(=O)Nc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 11906257 ZSVYWBRRWYZTJS-UHFFFAOYSA-N 347.378 2.238 30 40 EEEB N#Cc1cc(F)c(NC[C@@]2(N3CCOCC3)CCSC2)c(F)c1 63508770 ZXUSMYORFZZHLN-INIZCTEOSA-N 339.411 2.456 30 40 EEEB C#Cc1cccc(N(CC(=O)N2CCC[C@@H](NC(C)=O)C2)C(C)C)c1 69432524 XUDCDZUXAINRJQ-GOSISDBHSA-N 341.455 2.010 30 40 EEEB C#CCN1CCC(C(=O)NCCc2nc3c(s2)CCCC3)CC1 69584027 HJJHZGQMBCTOEI-UHFFFAOYSA-N 331.485 2.026 30 40 EEEB CN1CCCC[C@H]1CN1CCN(CCOc2cccc(C#N)c2)CC1 71892869 KRKGATWXASZCRR-IBGZPJMESA-N 342.487 2.039 30 40 EEEB C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(N(C)C)CC1 95430158 TUPJDBQXWCCPDB-INIZCTEOSA-N 328.460 2.348 30 40 EEEB CCC(=O)N1CCN(Cc2ccc(C#N)cc2Br)CC1 95994216 GUPIRVVTFMEUJQ-UHFFFAOYSA-N 336.233 2.375 30 40 EEEB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(CC#N)cc2)cc1 216297199 WQZKRWCZYLFFGG-UHFFFAOYSA-N 344.392 2.481 30 40 EEEB CCCOc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 71279291 XRXAPFACDOBNMO-UHFFFAOYSA-N 331.416 2.430 30 40 EEEB CN(C)CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C#N)c1 78489487 ARQHRIGUMSTLKY-UHFFFAOYSA-N 347.415 2.454 30 40 EEEB N#CC(C#N)[C@@H](c1ccccc1Cl)[C@@H](C(N)=O)[n+]1ccccc1 5866024 DNAUHMJCMAGPSD-HOTGVXAUSA-O 325.779 2.101 30 40 EEEB Cc1ccc2c(c1)[C@@]1(C)C=C(CN3CCN(C)CC3)C(=O)C[C@H]1O2 19364746 ZULLLCBLCVVHKZ-WOJBJXKFSA-N 326.440 2.160 30 40 EEEB CCNc1nc(NCC)nc(N/N=C/c2ccc(OC)cc2OC)n1 6438825 GRMONHGARFDDKL-VXLYETTFSA-N 345.407 2.198 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1C=C[C@@H]2C12CC2 100493486 BAOWMYTUKUMZDC-ACLZLYKJSA-N 337.335 2.126 30 40 EEEB C=CCc1cc(CNC(=O)c2cnn(C)c2C)cc(OC)c1OC 50860185 JZFUIWOMBLDGJF-UHFFFAOYSA-N 329.400 2.404 30 40 EEEB C=CCNC(=O)NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 16623782 HIQOLHALCOMNNF-UHFFFAOYSA-N 329.322 2.149 30 40 EEEB N#Cc1cc([N+](=O)[O-])cnc1Sc1ccc2c(c1)NC(=O)CO2 32829281 SUEJLIFMNPBSTG-UHFFFAOYSA-N 328.309 2.344 30 40 EEEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc(OC)cc2)[C@H]1SC 62716309 BVIUMQXVLBURKD-QGZVFWFLSA-N 349.408 2.200 30 40 EEEB C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(-n2cnnn2)c1 58282998 CPDTVRUHZOOQRC-UHFFFAOYSA-N 335.342 2.077 30 40 EEEB CCn1ccnc1CN1CCN(Cc2ccc(F)cc2C#N)CC1 69458020 MTHJSXSJLMNSCP-UHFFFAOYSA-N 327.407 2.232 30 40 EEEB CN(CCCNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 7059293 BBTAWEIMXWNYRD-UHFFFAOYSA-N 329.425 2.363 30 40 EEEB CCCO[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1 71835082 XFEBMMMWHVRLFG-OAHLLOKOSA-N 345.443 2.214 30 40 EEEB N#C[C@@H]1CN(C(=O)COC2CCCC2)CCN1Cc1ccccc1 72284715 SOLOTKJNTFOIKN-QGZVFWFLSA-N 327.428 2.182 30 40 EEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)CCc1cccc(Cl)c1)C2 225681972 CCIZPHJOKSGZSG-UHFFFAOYSA-N 341.798 2.417 30 40 EEEB O=[N+]([O-])c1cc(-c2ccc(C=Nn3cnnc3)o2)cc([N+](=O)[O-])c1 254296415 FCFOSPYQGNODQC-UHFFFAOYSA-N 328.244 2.237 30 40 EEEB N#Cc1ccsc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 69664790 FGQUFYPMNZVQRR-MRXNPFEDSA-N 341.436 2.111 30 40 EEEB N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC2CC2)CC1 40511905 ZVAFGDBDBAEYMJ-UHFFFAOYSA-N 326.356 2.301 30 40 EEEB CCOC(=O)c1c(C)oc2ncn(Cc3ccccc3C#N)c(=O)c12 7554170 UCUAKHSJODPFBX-UHFFFAOYSA-N 337.335 2.395 30 40 EEEB COCCn1cc(C(=O)[C@@H](C#N)C(=O)NC(C)C)c2ccccc21 103270736 ZJVBMZPEWDRCHU-CQSZACIVSA-N 327.384 2.135 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C=C/c2cccnc2)CC1 47460844 FHCFSJXSUIMPHV-ZZXKWVIFSA-N 349.394 2.181 30 40 EEEB CCOC(=O)c1ccc(N2CCc3c(sc(N)c3C#N)C2)nc1 25493099 GMTGPCYGMODUPR-UHFFFAOYSA-N 328.397 2.336 30 40 EEEB N#C[C@H](COC(=O)c1cccc(C(N)=O)c1)Cc1ccc(F)cc1 58017009 GVWYINRXANYETG-CYBMUJFWSA-N 326.327 2.464 30 40 EEEB CC[C@]1(C)NC(=O)N(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O 3431885 DIVNTJMKZUEXIX-CODCLWSRSA-N 340.723 2.008 30 40 EEEB C#CCOc1ccccc1CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O 71897104 BPPJTBUQBFFYSZ-CQSZACIVSA-N 340.345 2.294 30 40 EEEB C#CCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2c(=O)[nH]1 71853797 RXGYUYVIHMSSIR-UHFFFAOYSA-N 345.358 2.143 30 40 EEEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)CCc1ccccc1 71803633 HJNZNIYBOAOHKB-HIFRSBDPSA-N 341.429 2.100 30 40 EEEB Cc1ccc(N(CCC#N)C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1C 97080394 PJWNDONFOZJXOG-UHFFFAOYSA-N 349.394 2.439 30 40 EEEB N#Cc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)c1 72333958 JYLVUNWSFDIKNZ-UHFFFAOYSA-N 330.290 2.310 30 40 EEEB COc1ccc(COC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1 408609337 ZNUFYDSYUVAKBU-UHFFFAOYSA-N 326.352 2.089 30 40 EEEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218336220 ASDRLYUVPXOQNJ-KCQAQPDRSA-N 341.816 2.314 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1cc(C)c(Br)c(Cl)c1 225470049 WLPOQDQJPZDQAG-QMMMGPOBSA-N 329.581 2.479 30 40 EEEB CS(=O)(=O)N[C@@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 97103047 AHBLCGBXDOXRJV-LLVKDONJSA-N 347.362 2.095 30 40 EEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4cnccn4)C3)C2)c1 96228997 TUDJIMDLWIYNLA-FQEVSTJZSA-N 349.438 2.472 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)c4cccnc4)C3)C2)c1 96218902 KVNLCBIVXHVNJQ-QUCCMNQESA-N 348.406 2.439 30 40 EEEB C#CCN(C)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CCCC)on1 15673367 LMCLFSAYTHZMLG-HOTGVXAUSA-N 331.460 2.267 30 40 EEEB biogenic,in-vitro CN(C)[C@@H]1CCOC2(CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1 1614933106 FRXJHXGXJANTAG-GOSISDBHSA-N 341.455 2.203 30 40 EEEB Oc1ccc(/C=N\NC(=S)N[C@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c(O)c1 104215907 WBQNOLKWDAGQAC-NGKBDTAPSA-N 343.452 2.497 30 40 EEEB N#Cc1cccc(OCCN2CCC[C@@H]2C(=O)Nc2nccs2)c1 69776268 XEOIGNVHDRMYJW-OAHLLOKOSA-N 342.424 2.497 30 40 EEEB CCCSC/C(O)=N/S(=O)(=O)c1ccc(OC)c(OC)c1 48492750 XDKMOJVKTBQEIC-UHFFFAOYSA-N 333.431 2.492 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(F)cc1 14683268 WQTXOGNKLOWFQF-UHFFFAOYSA-N 341.386 2.294 30 40 EEEB CCc1nc(CN(C)c2ncnc3c2cnn3CCC#N)cs1 97199933 OBACZSSOAGDJRW-UHFFFAOYSA-N 327.417 2.395 30 40 EEEB O=C(CN1CCCCC1=O)NCC#Cc1cccc(C(F)(F)F)c1 97263152 RLTUCXGHWRKCDD-UHFFFAOYSA-N 338.329 2.186 30 40 EEEB Cc1cccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2F)C(=O)O)c1 547878955 ASTDSISJHMXOLB-HNNXBMFYSA-N 348.355 2.110 30 40 EEEB COc1ccc([C@H](C#N)N2CCN(C(=O)/C=C/C3CC3)CC2)cc1 79369467 FYLUAUJIMWHFFB-URPWPPKMSA-N 325.412 2.370 30 40 EEEB Cc1csc(=O)n1CCN1CCCN(c2ccc(C#N)cc2)CC1 44937821 PYHMQHPGIXVHIP-UHFFFAOYSA-N 342.468 2.302 30 40 EEEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1cccc2c1OCCO2 96041344 QNFAKXAOHSBCNA-ZVZYQTTQSA-N 345.395 2.032 30 40 EEEB COC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1c1cnn(C)c1 585655535 LRSDYCOIYPRLSA-IRXDYDNUSA-N 328.391 2.293 30 40 EEEB O=[N+]([O-])c1ccc(O)c(/C=N\N=C/c2cc([N+](=O)[O-])ccc2O)c1 17158509 ULNJZDPQMMBRNH-DUGOVBPYSA-N 330.256 2.367 30 40 EEEB CC(C)(C)OC(=O)NCCc1ncccc1B1OC(C)(C)C(C)(C)O1 953095527 UZOYFYCWDVZGIQ-UHFFFAOYSA-N 348.252 2.448 30 40 EEEB N#Cc1cccnc1N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 585612610 MGEFZXWOYNCDEY-IYBDPMFKSA-N 332.411 2.193 30 40 EEEB COc1cccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 16600689 SRZIRROEEWKKCW-UHFFFAOYSA-N 339.395 2.121 30 40 EEEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1)OC 813445 BRZAAUXGJNFBNW-CQSZACIVSA-N 339.775 2.243 30 40 EEEB OC(C#C[C@@]1(O)CN2CCC1CC2)(c1ccccc1)c1ccccc1 1274950 ASIPGOGFAUZXMX-OAQYLSRUSA-N 333.431 2.383 30 40 EEEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3317826 FUTQJHCYVLSNOH-UHFFFAOYSA-N 348.314 2.460 30 40 EEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccco1 4310915 SSKRIXNULBXLGH-IBOXJLQUSA-N 340.379 2.263 30 40 EEEB CCn1c(C)nnc1S[C@H]1CCN(c2sccc2C#N)C1=O 83092156 HHKGSHBKQQPWHR-NSHDSACASA-N 333.442 2.437 30 40 EEEB C=CCN(C(=O)c1cc(C)n(C2CC2)c1C)[C@H]1CCS(=O)(=O)C1 71824226 NCDDVPJBNUYBDG-HNNXBMFYSA-N 336.457 2.255 30 40 EEEB CS[C@@H]1C(C(=O)c2cccnc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716467 FSPNCHUHBULNRD-QGZVFWFLSA-N 348.424 2.223 30 40 EEEB C[C@@H]1CN(c2nccnc2C#N)CCN1c1ccc(C(F)(F)F)cn1 225590399 QJMSETLWQKGLKF-LLVKDONJSA-N 348.332 2.477 30 40 EEEB CCN1CCN(c2c(N)cc(C#N)n2Cc2ccc(F)cc2)CC1 225869969 PXTUGFKOHOHRBD-UHFFFAOYSA-N 327.407 2.271 30 40 EEEB N#Cc1c(NC[C@H](O)CN2CCc3ccccc3C2)nc2ccccn12 97238131 ZEIXWWBDYJLZHV-KRWDZBQOSA-N 347.422 2.037 30 40 EEEB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc(C#N)c1 245316816 KQEZDHFIEFWULQ-FRMKIJSPSA-N 338.407 2.366 30 40 EEEB C=CCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N\c1ccccc1OC 13151518 LXIBRPYFYNZIKO-RMYFCYLKSA-N 347.440 2.339 30 40 EEEB Cc1ccn(CC(=O)c2cccc(N3CCCC3=O)c2)c(=O)c1C#N 163842356 SHPYCSBEAXTFBL-UHFFFAOYSA-N 335.363 2.038 30 40 EEEB COc1ccccc1/C=N/N(C)C1=NS(=O)(=O)c2ccccc21 107139 BRDPVCXYCVRLKC-GZTJUZNOSA-N 329.381 2.110 30 40 EEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1 6362115 GIXCEAWTQAOQHH-UHFFFAOYSA-N 346.408 2.412 30 40 EEEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/N1C(=O)c2ccccc2C1=O 408741954 SYDXBWJZQQXVQD-YODDIOPGSA-N 346.346 2.307 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC(=O)c2ccoc2)c(C(F)(F)F)c1 69562506 YMNQIGJFIJPNSX-UHFFFAOYSA-N 344.270 2.289 30 40 EEEB O=C1/C(=C/c2cccnc2)Oc2c1ccc(O)c2CN1CCOCC1 13207017 FUIVWNVEDNSISY-YVLHZVERSA-N 338.363 2.236 30 40 EEEB COc1ccccc1C(=O)N1CCN(C(=O)C#Cc2ccccc2)CC1 81535658 DTNCHCWJHXHEMK-UHFFFAOYSA-N 348.402 2.031 30 40 EEEB C[C@H](C#N)CNC(=O)c1c(F)cccc1I 89901184 XIBMNEPAQLNSEZ-SSDOTTSWSA-N 332.116 2.320 30 40 EEEB COc1cc(Cl)ccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1 71886791 IWWUBKVBOLQUJC-UHFFFAOYSA-N 343.770 2.475 30 40 EEEB Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C)c(C)c3C#N)C2)n1 72276473 BGYQJQUFABJUNB-HNNXBMFYSA-N 325.420 2.090 30 40 EEEB CC(C)Oc1cccnc1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 79542860 LJMQUPRGFLKZCH-HNNXBMFYSA-N 330.432 2.175 30 40 EEEB CN(C)C1(CNC[C@@H](O)COc2ccc(CC#N)cc2)CCCCC1 38780511 QTXKUUUJFVWXOM-GOSISDBHSA-N 345.487 2.346 30 40 EEEB COCCn1c(C)cc(C=Nn2c(O)nc3ccccc3c2=O)c1C 409355459 CMXQCBLZUOJOFT-UHFFFAOYSA-N 340.383 2.049 30 40 EEEB N#Cc1ccccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523087 YKHUUEHHJQGUOI-GJZGRUSLSA-N 342.424 2.312 30 40 EEEB CN(CC(=O)Nc1ccc(Br)cn1)c1ncccc1C#N 95429757 URYIMMYESMLGFR-UHFFFAOYSA-N 346.188 2.186 30 40 EEEB N#Cc1ccc(CNC(=O)CNC(=O)/C=C/c2ccccc2)c(F)c1 95351488 DEEBOGRMWBIJEM-VQHVLOKHSA-N 337.354 2.143 30 40 EEEB Cn1c(=O)c2ccccc2n2c(COc3ccc(C#N)cc3)nnc12 12812519 LFSRCWJSMDCQRL-UHFFFAOYSA-N 331.335 2.032 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CC=CCC2)CC1 40512072 HJENHHRZHYKNCQ-AWEZNQCLSA-N 326.400 2.429 30 40 EEEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)o1 100951153 NINXSHOTVGYYPD-MPOSQSIKSA-N 327.384 2.267 30 40 EEEB C[S@@](=O)c1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 69345304 NWZVLQPSLTXZNS-SHACYNPGSA-N 342.424 2.232 30 40 EEEB CC[C@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 33024024 XBABMEKOHSQCBE-ZDUSSCGKSA-N 325.416 2.421 30 40 EEEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)CC[C@H]1CCCO1 48460596 SOARRMQYXNBXRQ-LLVKDONJSA-N 341.385 2.078 30 40 EEEB COc1cc(OC)c(C(=O)O/N=C(\N)c2cccc(C)c2)cc1OC 18251051 FDZOEQAVTRFTRT-UHFFFAOYSA-N 344.367 2.498 30 40 EEEB C=C(C)CN(CC)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 9074587 TXUGFADMKQUGTH-UHFFFAOYSA-N 348.424 2.312 30 40 EEEB N#C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)CCN1Cc1ccccc1 72284721 FVCNCTTTWICQEY-MSOLQXFVSA-N 327.428 2.182 30 40 EEEB CCNC(=S)N/N=C/c1cc(Br)c(OC)cc1OC 33709243 OCKZWNYPGXHGGV-VIZOYTHASA-N 346.250 2.284 30 40 EEEB C=CCNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 225925268 IJOSNDFDWZNHTH-UHFFFAOYSA-N 336.457 2.006 30 40 EEEB CO[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 225510924 PFXCPIDMRYPQPL-GXTWGEPZSA-N 334.395 2.000 30 40 EEEB CCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c2ncccc12 95350220 HRUUEACUKPJDMB-VIFPVBQESA-N 326.349 2.444 30 40 EEEB CCc1nc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)cn1CC1CC1 585098352 PETSEYDZSZKHKT-INIZCTEOSA-N 336.461 2.168 30 40 EEEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 69282462 YTHAZDWYYJYQMJ-PWSUYJOCSA-N 331.365 2.055 30 40 EEEB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(c2nccc(C#N)n2)C3)n1 1888863519 KIPUUJDFKRDJHU-KDOFPFPSSA-N 336.399 2.132 30 40 EEEB N#Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)cc1 29394206 PWLKFNDOVGGBEY-UHFFFAOYSA-N 342.424 2.032 30 40 EEEB Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(C#N)cc1)CCO2 57471939 FCHPENKZYMJAJD-UHFFFAOYSA-N 336.347 2.449 30 40 EEEB O=C1CC(CC(Nc2ccccc2)=C2C(=O)CCCC2=O)CC(=O)N1 5857245 FYXMGKQMIWLKAW-UHFFFAOYSA-N 340.379 2.118 30 40 EEEB C=CC[C@@H](C)[C@H](C)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 90035653 BHNWZEXUGSDARL-CABCVRRESA-N 344.521 2.150 30 40 EEEB CC(C)c1noc(CN2CCN(C(=O)C3(C#N)CCCCC3)CC2)n1 71839623 KSXNQROHGVAIGY-UHFFFAOYSA-N 345.447 2.311 30 40 EEEB N#CCc1ccc(OCC(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 75572808 DZKJMODXYXDCBC-QGZVFWFLSA-N 338.363 2.464 30 40 EEEB C/N=C(/NCc1ncccc1C)N1CCC(OC[C@@H]2CCCO2)CC1 86128141 CGOMGMYLAUCDJZ-KRWDZBQOSA-N 346.475 2.125 30 40 EEEB N#C[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218411840 SGISAVLCPCVIGQ-ULQDDVLXSA-N 331.368 2.268 30 40 EEEB CC/N=C(/NCc1ncnn1C)NCC1(Sc2ccccc2)CC1 86665977 NURCFUHKZOJWDL-UHFFFAOYSA-N 344.488 2.195 30 40 EEEB N#Cc1cccc(N2C[C@]3(CCN(C4CCOCC4)C3)CC2=O)c1 96238914 GHUFELHTIRIONX-LJQANCHMSA-N 325.412 2.166 30 40 EEEB C[C@@H](NC(=O)NCCc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C 252490522 KWEXVNZZQNXPAV-HUUCEWRRSA-N 342.443 2.189 30 40 EEEB Cc1c(C(=O)N2CCO[C@](C)(c3ccccc3)C2)cnn1CCC#N 585130729 AMFIUWKOGYCEJK-IBGZPJMESA-N 338.411 2.493 30 40 EEEB CC/N=C1\S[C@@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1CC 18206952 TZMGAZSFYOBZAW-WGKGOADCSA-N 349.412 2.053 30 40 EEEB N#Cc1cccnc1N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 585612608 MGEFZXWOYNCDEY-HOTGVXAUSA-N 332.411 2.193 30 40 EEEB COc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 225494144 IZLBDXMLQDJSOQ-HNNXBMFYSA-N 338.367 2.040 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ccncc3)C2)cc1 575612230 JWLYIPWDTOEQPF-MRXNPFEDSA-N 343.408 2.185 30 40 EEEB CC(=O)/C(=C\NC(=S)c1ccncc1)C(=O)Nc1ccccc1 104304729 XOVLKWDHMHSRDA-RVDMUPIBSA-N 325.393 2.458 30 40 EEEB C=CCNCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2=O 3902226 OOHIKMIVYGTQMJ-UHFFFAOYSA-N 336.413 2.158 30 40 EEEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1cc(O)ccc1O 17068813 PFHYSXDCZOZNFH-ATVHPVEESA-N 334.397 2.417 30 40 EEEB O=S1(=O)OC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)F 60154102 ZIIYMRHOENVDHP-VKHMYHEASA-N 330.099 2.438 30 40 EEEB N#CCCCN1C(=O)[C@](O)(CC(=O)c2ccncc2)c2ccccc21 4545739 MXXFPDWFNYIEMX-IBGZPJMESA-N 335.363 2.193 30 40 EEEB COc1cc2c(cc1OC)CN(CCNc1ccc(C#N)cn1)CC2 71817081 HTIDQAHBZLOPPO-UHFFFAOYSA-N 338.411 2.441 30 40 EEEB Cc1cc(C)n2nc(SCC(=O)NC3(C#N)CCCCC3)nc2n1 4523686 IXVMJNJUDSIDGK-UHFFFAOYSA-N 344.444 2.176 30 40 EEEB CC[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)c1ccccc1 36213913 RZPVMLYMMDRJDM-MRXNPFEDSA-N 327.384 2.379 30 40 EEEB CCN(CC(=O)NCCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106632238 BSYPXJFJGHGFSR-SJLPKXTDSA-N 328.460 2.174 30 40 EEEB O=C(C#Cc1ccccc1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 155196048 GIGNENODDXARDQ-PMACEKPBSA-N 335.403 2.389 30 40 EEEB C[C@@H](O)CN1CCC(CN(C)Cc2cn3ccccc3c2C#N)CC1 69658768 XCDFVWXVUXSTAC-MRXNPFEDSA-N 340.471 2.336 30 40 EEEB C[C@H](Oc1ccccc1C#N)/C(O)=N/S(=O)(=O)N1CCCCC1 52795391 ZGSMZSVEHAKPGS-LBPRGKRZSA-N 337.401 2.013 30 40 EEEB Cc1ccccc1S(=O)(=O)/N=C(\O)c1c[nH]c(=O)c(Cl)c1 54422647 BTWLZGAVNRTMOH-UHFFFAOYSA-N 326.761 2.030 30 40 EEEB CN(C)c1ccc(C(=O)NCCNc2ncccc2C#N)cc1F 58330559 SSGCBHIOMAXDSQ-UHFFFAOYSA-N 327.363 2.000 30 40 EEEB CC(C)[C@H](C#N)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 69598770 YQZAWWMGQMWCHM-HIFRSBDPSA-N 349.866 2.228 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N1CCCN(C(=O)OC)CC1 69519690 HRFCPGVGKHAUTH-UHFFFAOYSA-N 346.387 2.263 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 9470242 FWXQHJDHTPKWGC-APWZRJJASA-N 328.460 2.252 30 40 EEEB CS(=O)(=O)c1n[nH]c(/N=C(\O)[C@H]2C[C@H]2c2ccc(Cl)cc2)n1 71886014 CMRAFRHWKXYQIK-UWVGGRQHSA-N 340.792 2.253 30 40 EEEB C[C@H](CC#N)N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 71909760 APQNJYMUPLDBGE-QGZVFWFLSA-N 328.460 2.349 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 72234475 WSLONRRXAMDWOY-JCGIZDLHSA-N 327.428 2.411 30 40 EEEB C=CCOc1ccccc1CNC(=O)N1CCC(CC(N)=O)CC1 72277880 JTHBWUSENKWSNZ-UHFFFAOYSA-N 331.416 2.048 30 40 EEEB N#Cc1ccc(N2CC[C@H](N3CCC[C@H](N4CCCC4)C3)C2=O)cc1 84383838 WFUUGHNSBNHRNG-OALUTQOASA-N 338.455 2.224 30 40 EEEB C[C@H]1Oc2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc2NC1=O 71538704 IAJXRCBQIRZOHM-SNVBAGLBSA-N 343.364 2.078 30 40 EEEB C[C@@H](NC(=O)C#Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 80550425 KIGRLRXFJNJKNB-CQSZACIVSA-N 342.420 2.287 30 40 EEEB Cc1cnc(N2CC[C@@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nc1 96238824 AKTZVMHVZKSICT-LJQANCHMSA-N 333.395 2.290 30 40 EEEB Cc1ccc(-c2nc(CC/N=C(/N)N3CCOCC3)cs2)cc1 97212332 JZAONKHPRNGRRL-UHFFFAOYSA-N 330.457 2.308 30 40 EEEB COC(=O)C1=C(C(C)=O)[C@H](c2ccc(C(C)C)cc2)N2NN=NC2=N1 2503038 UYZAFFJHUDOOAW-HNNXBMFYSA-N 341.371 2.424 30 40 EEEB N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2nccs2)c1=O 2650175 UQIGCJCBICLMIX-UHFFFAOYSA-N 341.323 2.241 30 40 EEEB aggregator COc1cc2c(cc1/C=C/C(=O)[C@H]1C(=O)C=C(C)OC1=O)O[C@H](C)C2 103404921 PFMMDCNRVMMRPK-WCBZHTGUSA-N 342.347 2.247 30 40 EEEB N#C[C@H](C(=O)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 103719119 MAXUDRUFSKYLDO-GFCCVEGCSA-N 340.310 2.444 30 40 EEEB Cc1cc(NC(=O)CNC(=O)C(C)(C)C#N)ccc1Br 58265521 CDJBJVSDROFEBL-UHFFFAOYSA-N 338.205 2.362 30 40 EEEB C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)N(C)C 69591166 BQBYUIUHJMUOAW-ZDUSSCGKSA-N 327.384 2.410 30 40 EEEB CC(C)Cc1noc(C[S@](=O)CC(=O)Nc2cccc(C#N)c2)n1 64813222 CNYCMKHEDMTWBU-DEOSSOPVSA-N 346.412 2.027 30 40 EEEB C/N=C(/NCCCOC)NCc1c(C)nn(Cc2ccccc2)c1C 84014022 FRPXVMXHHYBNAV-UHFFFAOYSA-N 343.475 2.250 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCC#Cc2ccccc2)C1 77734675 QLWUMRBIUAVTMY-MRXNPFEDSA-N 328.412 2.411 30 40 EEEB Cc1ccc(C(=O)C2=C(O)C(=O)O[C@]23C(=O)Nc2ccccc23)cc1 66088230 HNZHSBFVTBGNQG-IBGZPJMESA-N 335.315 2.394 30 40 EEEB Cc1ccc(C(=O)NC2CC2)cc1NCC(=O)N[C@](C)(C#N)C1CC1 55858751 PZRFXKCWHAHXGB-LJQANCHMSA-N 340.427 2.108 30 40 EEEB COc1ccc(NC(=O)[C@@H](Cc2cccs2)/C(N)=N/O)cc1OC 4169794 QLKBYQJPDRPNLY-LBPRGKRZSA-N 349.412 2.309 30 40 EEEB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1 6997281 ARBFZPQPRKWNOG-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB CC(C)NC(=O)[C@H](C#N)C(=O)c1ccc(-n2cnc3ccccc32)nc1 101951336 JERKIEAVQDUGJH-CQSZACIVSA-N 347.378 2.268 30 40 EEEB CCOC(=O)C1=C(NC(C)=O)S[C@@H]2C(Cl)=C(/C=N/O)CC[C@H]12 9942948 IZWZFDZCMRHNNA-JJSNQEISSA-N 344.820 2.376 30 40 EEEB CCOC(=O)[C@H]1CCCN(/C=C2/Oc3c(ccc(O)c3C)C2=O)C1 103159826 HDSIJDLILVYHGI-XBUHWIKASA-N 331.368 2.392 30 40 EEEB C[C@@H]1C[C@H](OC[C@@H](S)CN2CCN(CCO)CC2)CC(C)(C)C1 20806377 PURXJYWXKBULRX-IKGGRYGDSA-N 344.565 2.126 30 40 EEEB Cc1nnc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(C#N)c1C 24054898 UUOZDHYADUCHCO-UHFFFAOYSA-N 349.438 2.222 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C#N)cc3)C2=O)c1 408528223 UMMSNUVLXPJSNN-MRXNPFEDSA-N 346.346 2.468 30 40 EEEB CC1CCC2(CC1)NC(=O)N(/N=C/c1ccccc1C(=O)O)C2=O 15354578 TVLSQJKJCZKGHK-VCHYOVAHSA-N 329.356 2.219 30 40 EEEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1 7873290 ZCAFORKUMGAXBJ-GFCCVEGCSA-N 342.351 2.379 30 40 EEEB CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(C#N)ccc1F 9367484 JEVYVASELCVDAG-UHFFFAOYSA-N 348.355 2.426 30 40 EEEB CCCN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(F)c1C#N 96427951 MNCCUPLCJYLCFV-UHFFFAOYSA-N 336.392 2.032 30 40 EEEB C#CCOc1ccccc1CNC(=O)NC[C@@H](C)Cn1ccnc1C 72285322 YGIXUPTTXWIJSO-OAHLLOKOSA-N 340.427 2.339 30 40 EEEB CCN(CC)CC#C[C@H](C)OC(=O)c1cnc(-c2cnn(C)c2)s1 95429459 AAKOEUFSUUKGKU-ZDUSSCGKSA-N 346.456 2.434 30 40 EEEB Cc1ccccc1[C@@H](O)CNS(=O)(=O)Cc1cccc(C#N)c1 89689201 KGBYHFCHCFQLLF-KRWDZBQOSA-N 330.409 2.020 30 40 EEEB CN(Cc1cnn(-c2ccccc2)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 96443256 TXKLXWDEPLFRDT-IBGZPJMESA-N 345.406 2.402 30 40 EEEB N#Cc1c(CSc2nnc(C(F)(F)F)n2N)cn2ccccc12 14728662 UJSFAQSVKDRRLP-UHFFFAOYSA-N 338.318 2.427 30 40 EEEB CCOC(=O)[C@H]1C/C(=N\OC(C)=O)c2ccc(OC)c(OC)c2C1 5374354 UJRNNAJBQQBYRY-VVLNONDKSA-N 335.356 2.097 30 40 EEEB C=CCN1CCO[C@H]2CN(C(=O)c3cccc(Cl)n3)CC[C@@H]2C1 1565551971 YAXPVHORAZYDSQ-HIFRSBDPSA-N 335.835 2.084 30 40 EEEB Cc1sc(NC(=O)CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)c(C#N)c1C 107358959 AKEVBBXQMMXTAI-KBUPBQIOSA-N 331.441 2.284 30 40 EEEB Cc1ccc(C(=O)NCC(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 8746670 SACZXBJQZVXEBK-HNNXBMFYSA-N 346.390 2.488 30 40 EEEB N#Cc1ccc(N2CC[C@@H](NC[C@@H]3CCCn4ccnc43)C2=O)cc1 89780993 VPEUIVQMGIGOGU-DOTOQJQBSA-N 335.411 2.027 30 40 EEEB Cc1nc(CN2CCC[C@H](N(C)Cc3cc(C#N)ccc3F)C2)no1 71870503 WNEMWKJGQPRJEP-INIZCTEOSA-N 343.406 2.485 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC[C@@H]1C#N 72270448 AKPVXGFXTQSUDP-CZUORRHYSA-N 327.384 2.422 30 40 EEEB CN1CCc2c(sc(NC(=O)CSc3ncccn3)c2C#N)C1 408581158 GWGPRANXBWAPPJ-UHFFFAOYSA-N 345.453 2.128 30 40 EEEB N#Cc1ccc(COCC2CCN(CC(=O)NC3CC3)CC2)cc1 75156597 CZAFGSWZKRWFHO-UHFFFAOYSA-N 327.428 2.065 30 40 EEEB C=CCN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1 224467236 JHBHUOHEOZNNRW-UHFFFAOYSA-N 330.409 2.162 30 40 EEEB CN(CCOc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N 56672322 YHXBUEASMUNEDM-UHFFFAOYSA-N 348.406 2.431 30 40 EEEB C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 58344428 PQBXZWOGOMHYAD-UHFFFAOYSA-N 342.848 2.139 30 40 EEEB C=CCn1c(S[C@H]2CCCCNC2=O)nc2ccccc2c1=O 32871680 VCGVOIAHKLVWDS-AWEZNQCLSA-N 329.425 2.343 30 40 EEEB CC(=O)Nc1ccc(/C(C)=N/OCC(=O)NCC(F)(F)F)cc1 22323086 WAQZVPZSVBYWPO-AWQFTUOYSA-N 331.294 2.064 30 40 EEEB CCCc1nn2c(N)c(C#N)nnc2c1-c1ccc(OC)c(OC)c1 20636138 ZNNRWMFWAPLKOB-UHFFFAOYSA-N 338.371 2.215 30 40 EEEB C#CCN1C(=O)S/C(=C\c2c(OC)cc(OC)cc2OC)C1=O 13880800 VPEFCNNHCRZQBW-ZROIWOOFSA-N 333.365 2.382 30 40 EEEB CCOC(=O)c1c(C)oc2ncn(Cc3cccc(C#N)c3)c(=O)c12 7553845 PKTMUPQWWGSJQG-UHFFFAOYSA-N 337.335 2.395 30 40 EEEB Cc1cccc2c(N[C@H]3CCCN(S(C)(=O)=O)C3)c(C#N)cnc12 96429253 YNJPLIPWZMJQIC-AWEZNQCLSA-N 344.440 2.251 30 40 EEEB N#CC1(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CCC1 72292326 HLLKIZLUAHNYSB-UHFFFAOYSA-N 335.289 2.462 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)N[C@@H](CO)Cc2ccccc2)c1 84525689 MJYMOBHITCUFST-MRXNPFEDSA-N 327.359 2.100 30 40 EEEB Cc1nnc(CN(C)[C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)o1 78891354 QPYOEDZTARLVCB-MRXNPFEDSA-N 329.379 2.095 30 40 EEEB C/N=C(/NCc1noc(C)n1)N(C)CCOc1cccc(Cl)c1 88924828 BPIMMMKGMQZNRF-UHFFFAOYSA-N 337.811 2.118 30 40 EEEB Cc1cc(C)n(CCCNC(=O)Nc2nn(C(C)C)cc2C#N)n1 89594172 CCWHYJLMPWYKSR-UHFFFAOYSA-N 329.408 2.361 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCC#Cc2ccccc2)C1 77734673 QLWUMRBIUAVTMY-INIZCTEOSA-N 328.412 2.411 30 40 EEEB O=C1COc2ccc(C(=O)/C=C/c3cn(-c4ccccc4)nn3)cc2N1 96403703 QXLZNQRBWOHEQK-BQYQJAHWSA-N 346.346 2.494 30 40 EEEB C[C@@H](C#N)CNC(=O)NCCOc1cccc(Br)c1 96500860 JYHURZRSYLKJIS-JTQLQIEISA-N 326.194 2.287 30 40 EEEB N#Cc1ccc(F)c(CNS(=O)(=O)c2cccc(F)c2C#N)c1 96483554 NMKQFKIOPILERA-UHFFFAOYSA-N 333.319 2.187 30 40 EEEB CCc1c(C)c(C#N)c2nc3ccccc3n2c1N(CCO)CCO 5333585 AJOLORJPVXGMEV-UHFFFAOYSA-N 338.411 2.021 30 40 EEEB Cn1c(Cl)cnc1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 29226380 UBYQHRQNBCWMRB-UHFFFAOYSA-N 346.822 2.133 30 40 EEEB N#CCCn1cc(/C=C2/C(=O)NC(=O)N=C2O)c(-c2ccccc2)n1 3239372 PQFSMDQCXMNEHD-UHFFFAOYSA-N 335.323 2.053 30 40 EEEB C=CCn1nnnc1S[C@@H](C)C(=O)c1ccc(OC)c(OC)c1 69646402 WRFAASNUJAHZFU-JTQLQIEISA-N 334.401 2.240 30 40 EEEB N#Cc1cccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 11591218 DLTGTVOFIDKHMZ-IBGZPJMESA-N 333.347 2.288 30 40 EEEB C=CCN1C(=O)N[C@@H]2c3cccc(OCC)c3O[C@]1(C)[C@H]2C(=O)OC 101239100 YGPQEPIZTCXYKS-HBUWYVDXSA-N 346.383 2.235 30 40 EEEB CCOC(=O)C1=C(C(=O)C(C)C)[C@@H](c2cccs2)NC(=S)N1 101776472 WDESIWBTFMZPFK-LLVKDONJSA-N 338.454 2.309 30 40 EEEB CCOC(=O)c1ccc(N2N=C(C#N)C(=O)N3CCCCC[C@H]32)cc1 33436176 ITGQTZYABUAKTM-MRXNPFEDSA-N 340.383 2.292 30 40 EEEB CCc1nc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)cs1 56463789 ZUXPTVUSBSXGIO-UHFFFAOYSA-N 332.473 2.434 30 40 EEEB N#Cc1ccccc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 13349457 HKRVLJSJRZQSSV-AWEZNQCLSA-N 348.355 2.192 30 40 EEEB CC(C)(C)c1ccc(-c2nc(SCC(N)=O)[nH]c(=O)c2C#N)cc1 5238336 VRVMMXRLFZIWSC-UHFFFAOYSA-N 342.424 2.183 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](NC(=O)CC)C1 69534452 YCMBCTWRLZKYOZ-CQSZACIVSA-N 344.415 2.479 30 40 EEEB CCCOc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1 4833754 KMVAFZSUNQYANV-CCOVPTLTSA-N 349.412 2.262 30 40 EEEB CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O 83859022 BKXWWGLNOMEQTA-MOPGFXCFSA-N 335.407 2.329 30 40 EEEB N#CCc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 71900087 XEYHXJGWFYHXFI-MRXNPFEDSA-N 337.354 2.427 30 40 EEEB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 84259190 XPUZPJHDSPCWHD-GOSISDBHSA-N 338.411 2.478 30 40 EEEB N#Cc1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)cc1 84404909 LCUFCUXQDRYUON-UHFFFAOYSA-N 334.129 2.439 30 40 EEEB N#Cc1c(COC(=O)Cn2c(=O)oc3ccccc32)cn2ccccc12 84598825 TUFFXUFKHLNHFC-UHFFFAOYSA-N 347.330 2.462 30 40 EEEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1 33040248 FIZGIIHAQQLSTG-OAHLLOKOSA-N 335.411 2.102 30 40 EEEB N#C[C@@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218033189 FXZHTSSYVPDVHL-HLLBOEOZSA-N 327.361 2.221 30 40 EEEB N#Cc1cnc2c(Br)cccc2c1NC[C@]1(O)CCOC1 225644402 LMKXVIIWJFYTBQ-OAHLLOKOSA-N 348.200 2.432 30 40 EEEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cnn(Cc2ccccc2)c1 138945293 FRUIWNGYLXGQMN-INIZCTEOSA-N 345.362 2.288 30 40 EEEB O=C(O)C[C@@H]1C(=O)N2CCSC2=C1C(=O)c1ccccc1Cl 95920195 QUTUBTHUFGXVOV-VIFPVBQESA-N 337.784 2.414 30 40 EEEB COc1cc(C(=O)N(C)CCCc2n[nH]c(N)c2C#N)ccc1Cl 97230801 CCKLPNQCJGWFQW-UHFFFAOYSA-N 347.806 2.230 30 40 EEEB CN(C(=O)[C@@H]1CCCc2ccccc21)C1CN(c2nccnc2C#N)C1 1776008008 SFMFLUULGSCIQV-QGZVFWFLSA-N 347.422 2.115 30 40 EEEB CC[C@@H](C)N/C(=N/CCc1ccccn1)NCCCOCCOC 69657931 BBOHUANKHIVINT-MRXNPFEDSA-N 336.480 2.011 30 40 EEEB N#CC1(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CCCC1 21603122 OQTHVXDKWBLZBW-UHFFFAOYSA-N 333.413 2.249 30 40 EEEB N#Cc1ccccc1CS(=O)(=O)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106773371 CLTWGQPQBKGOFB-HEHGZKQESA-N 332.425 2.331 30 40 EEEB N#C[C@@H](COC(=O)c1cccc(C(N)=O)c1)Cc1ccc(F)cc1 58017005 GVWYINRXANYETG-ZDUSSCGKSA-N 326.327 2.464 30 40 EEEB N#Cc1cnc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1N 10323237 SCGPWCBPRYFNLM-CYBMUJFWSA-N 343.387 2.182 30 40 EEEB N#Cc1cn(C2CC2)c(=O)n(Cc2ccccc2Br)c1=O 48331402 NSWSVEKOUXRTLK-UHFFFAOYSA-N 346.184 2.027 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1 12924066 RSFXQKSHQJWXQF-UHFFFAOYSA-N 325.347 2.446 30 40 EEEB C=CCNC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 12917961 XGSKBTSXXYREOO-LBPRGKRZSA-N 335.477 2.386 30 40 EEEB C#CCN(C(=O)Cc1ccc(CCCC)cc1)[C@@H]1CCS(=O)(=O)C1 69950612 VCCVLYXCSGMROJ-GOSISDBHSA-N 347.480 2.221 30 40 EEEB C=CCN(CC=C)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 67469340 XOOONOIQTMLURL-CYBMUJFWSA-N 337.445 2.039 30 40 EEEB N#Cc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)nc1 71821679 DTTIHFFWVUIIED-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB C=CCN1C(=O)C(=O)N(Cc2cc(F)ccc2Br)C1=O 71857370 JYVICGGUYZGHOX-UHFFFAOYSA-N 341.136 2.065 30 40 EEEB C#CCOc1ccccc1CNC(=O)NCCc1nccn1C(F)F 75139083 AAEFWGNEOQHLMS-UHFFFAOYSA-N 348.353 2.332 30 40 EEEB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)c2ccc(C#N)cc2)C1 583619644 SPWGCFMFQKRGAE-CABCVRRESA-N 337.383 2.156 30 40 EEEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc([N+](=O)[O-])cc1 14607494 AIXHLSYXEHXIBR-PSLIRLAXSA-N 325.328 2.454 30 40 EEEB Cc1ccc(S(=O)(=O)ON/N=c2\ccn(C)c3ccccc23)cc1 1568429 RGTCGLIGJHBPKI-FBMGVBCBSA-N 343.408 2.213 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(NC)o2)cc1 12421032 OZIXSGYSOFSJNH-UHFFFAOYSA-N 334.401 2.285 30 40 EEEB CC(C)n1cc(C#N)c(NC(=O)NC[C@](C)(O)c2ccsc2)n1 89894018 LZOOFSDJZOCDPM-HNNXBMFYSA-N 333.417 2.426 30 40 EEEB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1 58330842 BUBBLRNRIZQAEY-SFHVURJKSA-N 328.460 2.046 30 40 EEEB C=CCN(C(=O)c1csc(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 69368441 AVTSAIGNYNPLOO-LLVKDONJSA-N 342.486 2.256 30 40 EEEB C=CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 5042748 ZWERCYSZBKSWFT-INIZCTEOSA-N 346.383 2.451 30 40 EEEB N#Cc1cccc(Cl)c1NC[C@H]([C@H]1CCOC1)N1CCOCC1 71893819 FDMFITCVENYHCK-GOEBONIOSA-N 335.835 2.361 30 40 EEEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2ccn[nH]2)C1 72270609 DNUBYVQBTSGRIX-CABCVRRESA-N 329.448 2.320 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/Cc3ccccc3)C2=O)cc1 408528866 XDXJVEXRXGFGOP-DORSJAEJSA-N 335.363 2.465 30 40 EEEB N#Cc1cc(F)c(N2CCC[C@@H]2C(=O)N2CCSCC2)c(F)c1 75048933 LDDLCDKGMSSHOX-CQSZACIVSA-N 337.395 2.381 30 40 EEEB N#Cc1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 225608659 WZLCLOLLPJCYHV-XCCSTKFXSA-N 346.408 2.315 30 40 EEEB COc1ccc(Cl)cc1C(=O)N1CCc2[nH]c(=O)c(C#N)cc2C1 225681258 KSYWSWQUDHFJIG-UHFFFAOYSA-N 343.770 2.107 30 40 EEEB Cn1cc(CNC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cc1C#N 576517551 ULPZRFBZUYFECW-JXFKEZNVSA-N 349.438 2.134 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2cccnc2)CC1 40512093 SHXUMZPFXPANOV-UHFFFAOYSA-N 338.371 2.173 30 40 EEEB C=C(C)Cn1c(=O)c2c(nc3n(C4CCCC4)c(C)cn23)n(C)c1=O 4945187 OCTDOTAJUMGUSV-UHFFFAOYSA-N 341.415 2.149 30 40 EEEB N#Cc1ccc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 4251217 NZVSWVDBWWJESS-UHFFFAOYSA-N 333.347 2.471 30 40 EEEB C#CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1O 55127530 DWMJTKSQIHXJCB-UHFFFAOYSA-N 330.290 2.286 30 40 EEEB Cc1nc(C)n(C[C@@H]2CCCN2CCOc2ccc(C#N)cc2)n1 69464245 ZQMOKSDFADPWAC-KRWDZBQOSA-N 325.416 2.310 30 40 EEEB Cn1c(N)c2c(=O)n(C)c(-c3ccc(Cl)cc3)cc2c(C#N)c1=O 68754837 IIANNMGKQFVDTR-UHFFFAOYSA-N 340.770 2.011 30 40 EEEB CCn1c([C@H](C#N)c2c(Cl)cnn(C)c2=O)nc2ccccc21 28629629 KHFRADMAWJXFJT-SNVBAGLBSA-N 327.775 2.459 30 40 EEEB CN(C[C@@H](O)C1CC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 95411092 SPSZDYHFTQRYTL-OAHLLOKOSA-N 340.345 2.469 30 40 EEEB C[C@](O)(CNc1ccc(C(F)(F)F)c(C#N)c1)CN1CCOCC1 95944326 USEYYFYEAHQITI-HNNXBMFYSA-N 343.349 2.072 30 40 EEEB C#CC[C@@H](N)[C@@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 71613498 NGHDGHPWUHCBEJ-MOPGFXCFSA-N 349.386 2.394 30 40 EEEB CCOCCOC/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2 96404480 CVPDVCSNPYCMIO-UHFFFAOYSA-N 341.429 2.264 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)NCc3cccc(F)c3)CC[C@@H]2C1 96249636 AMNABKLFVOVKAI-SJLPKXTDSA-N 347.434 2.244 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(C(=O)c4cccnc4)C3)C2)c1 96218905 KVNLCBIVXHVNJQ-ICSRJNTNSA-N 348.406 2.439 30 40 EEEB CC(C)c1n[nH]c(/N=C(\O)COc2cccc(-n3cnnc3)c2)n1 95478398 ZXVWZWHZCKCPAK-UHFFFAOYSA-N 327.348 2.176 30 40 EEEB N#C[C@]1(CO)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242750715 ZWSWMGIBNDREMA-ZACQAIPSSA-N 331.368 2.268 30 40 EEEB CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)OC[C@H]1c1ccccc1 245338731 OCDGCIHOZPWJIN-NUJGCVRESA-N 329.444 2.457 30 40 EEEB CN1C(=O)/C(=N/n2c(S)nnc2-c2ccccc2)c2ccccc21 3045022 PTKFNFIYNWMMHZ-XSFVSMFZSA-N 335.392 2.463 30 40 EEEB CCCc1nnc(SCC(=O)O)n1/N=C/c1ccc(OC)cc1 5952324 LDFVDOGRWKRMSB-CXUHLZMHSA-N 334.401 2.298 30 40 EEEB N#Cc1cc(Br)cc(S(=O)(=O)NC2C[C@@H]3C[C@H]3C2)c1 568874263 XYHFFYNSZARUKX-UWVGGRQHSA-N 341.230 2.398 30 40 EEEB C=C(C)CNC(=S)N1C[C@@H](C(=O)NCCC)Oc2ccccc21 7102430 ZZGZDYKSKICWLF-HNNXBMFYSA-N 333.457 2.231 30 40 EEEB C=CCNC(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@H]2C1 1888865684 MEUANEMXJCJTMO-KBPBESRZSA-N 329.448 2.038 30 40 EEEB CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc1C 32672374 WXSBRYFKKCFKOD-JSGCOSHPSA-N 347.440 2.240 30 40 EEEB N#Cc1ccc(CN2CCCN(C(=O)C[C@H]3CCCO3)CC2)cc1 46784930 KENMHIPKKPCIRV-GOSISDBHSA-N 327.428 2.162 30 40 EEEB N#Cc1ccccc1CN[C@H](C(=O)N1CCOCC1)c1ccccc1 58218756 LIUCDKUZBDOFIR-IBGZPJMESA-N 335.407 2.248 30 40 EEEB CC(C)(C)c1cn2nc(NCCCc3n[nH]c(N)c3C#N)sc2n1 44978580 KVNVVEQXVINBIK-UHFFFAOYSA-N 344.448 2.310 30 40 EEEB C=C(C)CNC(=S)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 12859969 MDPMMRZVZUDMRR-INIZCTEOSA-N 337.464 2.239 30 40 EEEB C=CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3610298 QYXLKWGVCXPLMP-SECBINFHSA-N 349.481 2.346 30 40 EEEB CCc1c(C)nc2n(c1=O)CN(CCS)CN2c1ccccc1 36128100 SDMCWPMWQBPTHC-UHFFFAOYSA-N 330.457 2.413 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)C4CC=CC4)C3)C2)n1 96219303 PQKOFARZBLRVNY-QFBILLFUSA-N 338.411 2.091 30 40 EEEB N#Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 6314725 GNOPISOCPGCVNC-UHFFFAOYSA-N 327.409 2.069 30 40 EEEB CCN1C(=O)[C@H](CC(=O)O)S/C1=N/N=C(/C)c1ccc(OC)cc1 103707788 NDECGRWQUCGLKE-PQNKOENISA-N 349.412 2.214 30 40 EEEB COc1cc(/C=N/N=C2/C(=O)Nc3ccccc32)cc(OC)c1O 3224393 FHXJMTSRDQRRCZ-GIJQJNRQSA-N 325.324 2.185 30 40 EEEB N#Cc1ccccc1N1CCCN(C(=O)c2ccc(C(N)=O)cc2)CC1 58274808 ILFSGAZAWRQWGY-UHFFFAOYSA-N 348.406 2.010 30 40 EEEB C=CCSCC(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 75145735 ZYFQLVRSCXZQMM-RDJZCZTQSA-N 334.485 2.311 30 40 EEEB C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)C(=C)[C@H]12 72320518 FDLLEBFMOIHMNM-PGSNGQOISA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro CC(C)C[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1C#N 96428018 MRZLLVDLCOMTTG-GFCCVEGCSA-N 326.393 2.133 30 40 EEEB CC(C)(C)c1n[nH]c(=S)n(/N=C/c2ccccc2[N+](=O)[O-])c1=O 5817195 VVMXPHXXBAMAKA-OVCLIPMQSA-N 333.373 2.389 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1 270913385 HPTIOEKLAHDKPU-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB N#CC1(NC(=O)CNc2cc3c(cc2Cl)OCCO3)CCCC1 29690873 UNCQBSKGYZJMJR-UHFFFAOYSA-N 335.791 2.476 30 40 EEEB COCCOc1ncccc1C/N=C(/N)Nc1ccc(OC)cc1 70040540 MAVUFVHZNVBPOU-UHFFFAOYSA-N 330.388 2.042 30 40 EEEB C#Cc1cccc(NC(=O)CNS(=O)(=O)Cc2ccccc2C)c1 69780364 IJDQTDRWFAJLBS-UHFFFAOYSA-N 342.420 2.034 30 40 EEEB C#Cc1cc(F)c(NS(=O)(=O)c2cccc3nonc23)c(F)c1 96007294 WXQKRNYRBZBGNT-UHFFFAOYSA-N 335.291 2.283 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2nnc(C3CC3)o2)CC1 71824718 OZFOXWDUKDCJNJ-UHFFFAOYSA-N 340.387 2.006 30 40 EEEB N#CC1(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)CCOCC1 97238110 LCFSAPDCOWGBED-UHFFFAOYSA-N 342.317 2.359 30 40 EEEB C=CCN/C(=N/CCCOC)NCC1(c2ccccc2)CCOCC1 95350537 XJAAZYYCPOFXMY-UHFFFAOYSA-N 345.487 2.493 30 40 EEEB C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)CC1 74035695 GCLNSKVPSFRRCU-INIZCTEOSA-N 336.439 2.395 30 40 EEEB N#Cc1ccccc1Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2 1547201116 KVEAGSQTIFVEHS-UHFFFAOYSA-N 349.325 2.092 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccccc1O 408739601 CVPVGMVGKGAEPV-SGEFVQMOSA-N 339.376 2.159 30 40 EEEB Cc1cc(C(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)ncc1C#N 591656157 VQQJPASQDMAZQU-INIZCTEOSA-N 336.399 2.095 30 40 EEEB CCOC(=O)c1cn(C)cc1NS(=O)(=O)c1cc(C#N)ccc1C 1615570883 DJHBHBPUNDMHBI-UHFFFAOYSA-N 347.396 2.183 30 40 EEEB C=C(C)CNC(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 157556410 LPHAISIWLSNCIS-UHFFFAOYSA-N 344.459 2.091 30 40 EEEB CCOC(=O)c1ccc(-c2ccc(/C=N/N3CC(=O)NC3=O)o2)cc1 8217005 RWTDKWBDSMHYBS-GIJQJNRQSA-N 341.323 2.009 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100058686 QHABDZVHFXVBPH-PIFHSGCJSA-N 335.407 2.284 30 40 EEEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1Cl)OC 813437 MNFNVJCLUCTKJY-AWEZNQCLSA-N 339.775 2.243 30 40 EEEB COc1ccccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 8577627 JYFTYOVZJHGZKX-UHFFFAOYSA-N 325.368 2.443 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 25119318 YNVXMEBZUGWIEM-INIZCTEOSA-N 337.379 2.414 30 40 EEEB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O 2326314 TZYRJGXLSGZUGF-UHFFFAOYSA-N 338.820 2.274 30 40 EEEB N#Cc1cccc(C(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 12823214 XKKQDOGXKWMJOW-MRXNPFEDSA-N 332.425 2.130 30 40 EEEB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1C#N 65594824 NHFQRVXHTBWVOG-SCOAYWHSSA-N 343.452 2.341 30 40 EEEB C=CCN1C(=O)/C(=C/c2cc(C)n(C(C)C)c2C)C(=O)NC1=S 408967812 XKJWCEBCOWZJBW-NTEUORMPSA-N 331.441 2.499 30 40 EEEB C=CCc1cc(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)cc(OC)c1OC 78894897 YYUFGDIXPYKQOD-CZUORRHYSA-N 332.444 2.454 30 40 EEEB C=CCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 33786584 YSGHASADRFHDEW-UHFFFAOYSA-N 337.228 2.062 30 40 EEEB C[C@@H](/N=C(/O)c1csc(-c2cnn(C)c2)n1)C1=CCN(C)CC1 329523185 RMIMXQJXPKGMKK-LLVKDONJSA-N 331.445 2.499 30 40 EEEB CCCc1cc(=O)[nH]c(SCC(=O)[C@H](C#N)c2nc(C)cs2)n1 14136159 JMGOAANNGCHLKO-NSHDSACASA-N 348.453 2.456 30 40 EEEB CN(C(=O)C#Cc1ccccc1)C1CCN(C2CCOCC2)CC1 81620610 JMDHKXTWOOJDNT-UHFFFAOYSA-N 326.440 2.140 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)NCc2ccc3c(c2)OCO3)cc1 503338 AOHPCYBJCBKEAX-UHFFFAOYSA-N 348.380 2.116 30 40 EEEB COc1cc(-c2nc(C)c(C(=O)NCC#N)s2)cc(OC)c1OC 12390303 PKIDUNQOJSWIPE-UHFFFAOYSA-N 347.396 2.398 30 40 EEEB C=CCNC(=O)C1(NC(=O)CNc2ccc(C#N)cc2)CCCCC1 69393155 LDERPHRZNIQCDB-UHFFFAOYSA-N 340.427 2.091 30 40 EEEB N#CC1(C#N)[C@H](c2ccco2)[C@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 35840467 GQBPQIBYXRTVJF-ZACQAIPSSA-N 330.347 2.292 30 40 EEEB N#Cc1cccc(OCCN2C(=O)NC(C3CC3)(C3CC3)C2=O)c1 58379404 NUPYIMHQQNJIGA-UHFFFAOYSA-N 325.368 2.048 30 40 EEEB Cc1nc(SCC(=O)O)c(C#N)c(-c2ccco2)c1C(=O)N(C)C 3349692 NUBYKENDTGVHPV-UHFFFAOYSA-N 345.380 2.400 30 40 EEEB C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1 14197460 PPHXJZJHWDUZQR-UHFFFAOYSA-N 328.393 2.159 30 40 EEEB C=C(C)COc1ccc2c(C)c(CC(=O)NCCCO)c(=O)oc2c1 6624125 KSSXMQJXJQNROB-UHFFFAOYSA-N 345.395 2.097 30 40 EEEB biogenic N#Cc1ccc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1 27613001 VBXKCFUMLJZUCA-SFHVURJKSA-N 327.428 2.065 30 40 EEEB COc1ccccc1CN(CCO)c1ccc(C#N)cc1[N+](=O)[O-] 71920556 KAEICXBCCQPDOQ-UHFFFAOYSA-N 327.340 2.474 30 40 EEEB CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1COc2ccccc21 97053866 IPRFBKNYNGTWPY-FZKQIMNGSA-N 330.384 2.498 30 40 EEEB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1cccc(C#N)c1 78898832 RCMTUUNPBKAPME-MSOLQXFVSA-N 349.500 2.487 30 40 EEEB C=CCn1c2cc(C)oc2c2cnn(CC(=O)NC3CCC3)c(=O)c21 72335373 OJAHDIZEUPWARV-UHFFFAOYSA-N 340.383 2.107 30 40 EEEB N#C[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 225640436 RXZOEDGZRDOTRR-IAOVAPTHSA-N 327.361 2.495 30 40 EEEB C[C@@H]1OCC[C@@]1(C)N/C(O)=N/C1CCN(C(=O)c2ccccc2)CC1 329406515 CDBWEDYKNLBLRW-IFXJQAMLSA-N 345.443 2.362 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)cc1C(F)(F)F 95441147 BEFYEEVAMCJKGD-ZWNOBZJWSA-N 348.346 2.016 30 40 EEEB CN(C)S(=O)(=O)c1cccc(COC(=O)C2(C#N)CCCC2)c1 24829973 KBOWYRWGBQYRFM-UHFFFAOYSA-N 336.413 2.064 30 40 EEEB N#Cc1ccc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)cn1 2086968290 WETUSDWYYXCLNS-UHFFFAOYSA-N 346.438 2.436 30 40 EEEB N#CCC[C@@H](C#N)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 28921584 QSBMNGORQDLPTF-AWEZNQCLSA-N 328.391 2.463 30 40 EEEB Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1CCCC2 20591565 CDSJMDKASRJZLP-UHFFFAOYSA-N 326.444 2.445 30 40 EEEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2cnn(C)c2)C1=O 58178521 QCYHIAYDGZTIJK-NTEUORMPSA-N 339.351 2.247 30 40 EEEB COc1c(C)cc(CN(C)CC(=O)N(CCC#N)CCC#N)cc1C 58326925 SLGHZUSDSCKAEP-UHFFFAOYSA-N 342.443 2.400 30 40 EEEB CC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\CC(C)C)NC2=O)cc1 36308406 GCIBVNPBTIJDMG-CQSZACIVSA-N 347.440 2.461 30 40 EEEB N#CCC[C@H](C#N)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O 12894823 KZMLZTMVYBYVAH-SECBINFHSA-N 331.719 2.402 30 40 EEEB C=C(Br)CNC(=O)Nc1ccccc1S(C)(=O)=O 49300284 SMTSDYOFQHZFSQ-UHFFFAOYSA-N 333.207 2.120 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)CN3CCO[C@@H](C)C3)c2C#N)C1 14139331 XIOFORDSZYDHPS-RYUDHWBXSA-N 333.457 2.404 30 40 EEEB CCCCCn1c(NN=C2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 4730329 XKZQVKJOJZUKRI-UHFFFAOYSA-N 346.435 2.346 30 40 EEEB CN(c1cccc(C#N)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 95433750 ILLOKOMNMZFPOT-UHFFFAOYSA-N 331.353 2.433 30 40 EEEB Cc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(C#N)c3)C2)cc1 78814069 LERFWAGHYNYBSK-KRWDZBQOSA-N 348.406 2.200 30 40 EEEB Cc1cccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C(=O)O)c1C 548291389 YBKNTHRFYBHISU-MRXNPFEDSA-N 344.392 2.279 30 40 EEEB N#Cc1cc(N2CC[C@@H](Oc3cncc(Br)c3)C2)ncn1 521398440 HCVLLGSQDMRJSA-GFCCVEGCSA-N 346.188 2.163 30 40 EEEB CC(=O)N1CCCN(C[C@@H]2CCCN(c3ccc(C#N)cc3)C2)CC1 570249322 HDMGGWLEJUAGEE-IBGZPJMESA-N 340.471 2.329 30 40 EEEB COCCc1noc(CC2CCN(c3cc(C)ncc3C#N)CC2)n1 528120030 PGHKRNPZFYBVFB-UHFFFAOYSA-N 341.415 2.293 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 225799439 XGMONGDZXZXARI-AWEZNQCLSA-N 342.786 2.224 30 40 EEEB O=C1CCCC2=C1[C@H](c1ncc[nH]1)c1c([nH]n(-c3ccccc3)c1=O)N2 12348428 RHWCERSDQPBOTD-HNNXBMFYSA-N 347.378 2.453 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 4113713 KFPYQGUSASACNJ-HNNXBMFYSA-N 332.356 2.061 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)c1 30940948 RLMVVAIHGWXZMU-UHFFFAOYSA-N 346.390 2.078 30 40 EEEB CCOC(=O)COc1c(Br)cc(/C=N/O)cc1OC 370841 UDXWRMBKTQXENQ-MKMNVTDBSA-N 332.150 2.208 30 40 EEEB N#Cc1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)c1 32795768 SEGFGURCUKAMCZ-OAHLLOKOSA-N 326.331 2.436 30 40 EEEB N#Cc1cnc(SCC(=O)NC2(c3ccccc3)CCC2)nc1N 53548972 LYRQBLRVXLNYFZ-UHFFFAOYSA-N 339.424 2.218 30 40 EEEB O=C(O)CNC(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 3090438 YDHMMZSDSUCWAO-RQZCQDPDSA-N 327.296 2.160 30 40 EEEB C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 106911698 WPFIEKGYQKULRM-AAEUAGOBSA-N 339.848 2.069 30 40 EEEB Cc1cc(C)c(C#N)c(SC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)n1 58153129 RLCUWQPHCFQHOX-ZNMIVQPWSA-N 335.473 2.132 30 40 EEEB CC[C@@H](C)n1ncc2c(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc(C)nc21 69389056 OXGYOCGSWFOVJL-SNVBAGLBSA-N 348.370 2.429 30 40 EEEB C=CCOC(=O)[C@]12C[C@](C)(OC(C)=O)[C@H]1c1ccccc1OC2=O 4114259 OXEJIIKLRXTAFZ-JLSDUUJJSA-N 330.336 2.130 30 40 EEEB COc1cccc(N/N=C2/C(=N)NN(C(=O)c3ccccc3)C2=N)c1 6007299 CWTYDHFQPPJWMQ-WIMWBABDSA-N 336.355 2.078 30 40 EEEB Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(CC#N)cc3)cc12 69435636 AHGKVTONUQHBRX-UHFFFAOYSA-N 341.396 2.144 30 40 EEEB N#Cc1c(CN2C(=O)c3ccccc3S2(=O)=O)cn2ccccc12 14902264 NGLWRSIWPZCOCK-UHFFFAOYSA-N 337.360 2.156 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Oc1ccc(N2CCCC2=O)cc1 15361226 CANYQGUTWCYBDK-UHFFFAOYSA-N 342.376 2.453 30 40 EEEB CC(=O)N1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)c2ccccc21 78970153 MHZCJWDHIMFDNN-LJQANCHMSA-N 342.443 2.304 30 40 EEEB CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCc2ncnn2C1 97002482 ZGRAHDNKEAQZAA-ZDUSSCGKSA-N 340.387 2.073 30 40 EEEB CC(C)(C#N)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 32797058 GKRIPBLKSGVFKA-UHFFFAOYSA-N 326.312 2.337 30 40 EEEB C#C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)[C@@H]1CCCO1 521393993 UUVFSPIBQYZROS-ZBFHGGJFSA-N 338.411 2.065 30 40 EEEB N#C[C@@]1(C=O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218568226 OUMAVHIWOYLFNU-IXDOHACOSA-N 329.352 2.474 30 40 EEEB N#Cc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)ccn1 1148897947 XCZOSUBMWLKZBV-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB O=C(NCC[S@@](=O)C(F)(F)F)c1cc(F)c(F)c(F)c1F 585127526 CFHILOBNWYIJBY-OAQYLSRUSA-N 337.216 2.241 30 40 EEEB C/C=C1\C[N@+]2(C)CC[C@]34c5cccc(O)c5N[C@H]3[C@H](C=O)[C@H]1C[C@H]42 585153195 PJCKBNVXZFTIME-LNMIFYINSA-O 325.432 2.438 30 40 EEEB biogenic,in-vitro COc1ccc(/C=C/c2nc(C#N)c(N3CCNCC3)o2)cc1OC 21799715 BVLRKWQFCARAMP-GQCTYLIASA-N 340.383 2.143 30 40 EEEB Cc1nc(C)c(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)s1 225482339 DBWBSKJYVYFXCY-GFCCVEGCSA-N 343.412 2.105 30 40 EEEB N#C[C@]1(NC(=O)c2ccc(-c3nc(C4CC4)n[nH]3)cc2)CCSC1 79014279 UJOMRBCUGRMAKL-QGZVFWFLSA-N 339.424 2.478 30 40 EEEB CCN(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C[C@@H]1CCCO1 40468284 CFFSSLTUOGYBHD-HNNXBMFYSA-N 332.448 2.436 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc2c(c1)OCO2 18196168 PSNOTQHXRYMXSP-OAHLLOKOSA-N 339.355 2.060 30 40 EEEB C=CCN(CC=C)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 4581653 WPRDUGOWSDBXOB-UHFFFAOYSA-N 346.408 2.088 30 40 EEEB CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 69668139 ZGXPPQBCWOKUQB-SJORKVTESA-N 327.428 2.132 30 40 EEEB Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1ccc2nncn2n1 2685608 WGMHLFOXTKWHHP-VCHYOVAHSA-N 332.371 2.373 30 40 EEEB C[C@@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)N(C)CCC#N 69948673 WNZPADVBAUFVLX-NSHDSACASA-N 349.378 2.316 30 40 EEEB CS(=O)(=O)c1cccc(/C(O)=N/S(=O)(=O)C2CCCCC2)c1 58073683 IWUPAOGXSSCMJZ-UHFFFAOYSA-N 345.442 2.057 30 40 EEEB C#CCN1CCC(C(=O)Nc2nc(-c3ccccc3)ns2)CC1 58420051 SWPQFZJUQXIASB-UHFFFAOYSA-N 326.425 2.489 30 40 EEEB N#Cc1c(CCCNc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]c1N 66451329 XNAVBGRIJXJAQX-UHFFFAOYSA-N 343.372 2.426 30 40 EEEB N#Cc1cccc(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 93260714 OOPUKXHEXBXKFE-UHFFFAOYSA-N 336.395 2.096 30 40 EEEB COCCN/C(=N/CCc1cccs1)NCc1ncccc1C 95405740 GPRYFXLFRQXSEX-UHFFFAOYSA-N 332.473 2.376 30 40 EEEB C=CCNC(=O)NC(=O)[C@H](C)Sc1nc2c(cc1C#N)CCCC2 73920899 OLALBZXVQZVDRQ-NSHDSACASA-N 344.440 2.324 30 40 EEEB N/C(=N/Cc1ccc(O)c(F)c1)N1CCN(c2ccc(F)cc2)CC1 95964066 ADHIPCCRLASBID-UHFFFAOYSA-N 346.381 2.307 30 40 EEEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218407946 ZWSWMGIBNDREMA-YESZJQIVSA-N 331.368 2.268 30 40 EEEB Cc1nc(Cl)cc(N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)n1 78399742 QSUCZWCJGXEOAA-UHFFFAOYSA-N 341.802 2.159 30 40 EEEB COc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462143 CQZZRJAARPSJOI-UHFFFAOYSA-N 336.395 2.111 30 40 EEEB C=CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 225579694 MFQKEGSSCAJJRE-VBKFSLOCSA-N 326.352 2.361 30 40 EEEB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C#N)cc1 90450627 RYVBNUSVVSVNBV-UHFFFAOYSA-N 326.352 2.139 30 40 EEEB CCOC(=O)[C@H](c1nc(Br)sc1C)N(C)CC#N 585117269 WZRXMJQNLKNPCD-VIFPVBQESA-N 332.223 2.274 30 40 EEEB O=C(CC1=[N+]([O-])[C@@H]2CCCC[C@H]2N(O)C1=O)c1ccc(Cl)cc1 1406008 NFWXVEMFRLRWKR-CHWSQXEVSA-N 336.775 2.407 30 40 EEEB Cc1nnc(NC[C@@H](c2ccccc2)N2CCOCC2)c(C#N)c1C 29526066 QWTNGLAETXHGGP-SFHVURJKSA-N 337.427 2.451 30 40 EEEB CCCCn1nc(C(=O)OCc2cc(C#N)ccc2F)ccc1=O 29866179 YXFAPNXRZZDOOP-UHFFFAOYSA-N 329.331 2.411 30 40 EEEB CNC(=S)N/N=C/c1ccc(OC(=O)c2cccs2)c(OC)c1 3227538 VBBVCLUTZZJYBB-RQZCQDPDSA-N 349.437 2.404 30 40 EEEB C=CCN1COc2ccc3c(C)c(CC(=O)OC)c(=O)oc3c2C1 57405812 HQSWEAWNSGRWBY-UHFFFAOYSA-N 329.352 2.155 30 40 EEEB CCC[C@H](C#N)NC(=O)Cn1c(S)nnc1-c1ccc(C)cc1 58426228 XHUMPHWPXKBFNG-CYBMUJFWSA-N 329.429 2.351 30 40 EEEB Cc1occc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 48333528 DNQRDZBXGKUCHL-UHFFFAOYSA-N 326.356 2.288 30 40 EEEB Cc1nn(CC(=O)N[C@H](c2ccccc2)C(C)C)c(=O)c(C#N)c1C 12911131 KVNHRMSVERDXNX-SFHVURJKSA-N 338.411 2.245 30 40 EEEB O=C1c2ccccc2C(=O)N1/N=C/c1ccc(N2CCOCC2)cc1 5163624 BFHZFPQVYZTVFI-DEDYPNTBSA-N 335.363 2.153 30 40 EEEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 5687059 YXZVRWVQISMPBS-LRDDRELGSA-N 338.363 2.041 30 40 EEEB C=CCN(CC1CCCCC1)S(=O)(=O)[C@H]1CCCN(C(C)=O)C1 71911230 GIWAZAQXLRHINV-KRWDZBQOSA-N 342.505 2.395 30 40 EEEB COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)c1 97144784 OIHBYZDGXJBSFN-UHFFFAOYSA-N 339.355 2.197 30 40 EEEB CCC[C@@H](C)CS(=O)(=O)/N=C(\O)[C@H]1CCCN(C(=O)C2CC2)C1 79029231 BYLGNOGMVURYOE-OCCSQVGLSA-N 344.477 2.358 30 40 EEEB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccc(C#N)cc2)cc1 97098699 BPUVMOJEBXMNIF-AWEZNQCLSA-N 342.420 2.459 30 40 EEEB C[C@H]1CN(C(=O)NCC#Cc2ccccc2)CCN1CC(F)(F)F 96485855 BUZBZFRYQGFDRB-AWEZNQCLSA-N 339.361 2.316 30 40 EEEB N#Cc1cccc(N2CCC[C@@]3(C2)CN(c2cnccn2)CCO3)c1 96074743 AKJWWGQBKJYGFO-LJQANCHMSA-N 335.411 2.224 30 40 EEEB CCS[C@H](C)C[C@@H]1CC(N2CCOCC2)=CC(=O)[C@@H]1C(=O)OC 5467551 SRAPBEIRSKNNIS-XJKCOSOUSA-N 341.473 2.112 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c(OC)c1 169305993 QQSLNVHVHGNFIY-BIORGXGLSA-N 340.379 2.235 30 40 EEEB N#Cc1ccc(Br)c(NC(=O)COC[C@@H]2CCCO2)c1 585125120 HNLMLVBZCCFEDB-NSHDSACASA-N 339.189 2.455 30 40 EEEB CCOC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)c(C#N)c1C 9001878 QJWFZNWAXOVKRS-UHFFFAOYSA-N 332.385 2.399 30 40 EEEB N#Cc1cc(Br)cnc1N1CCC(NC(=O)C2CC2)CC1 450244187 UMWHIEQOQDKXCZ-UHFFFAOYSA-N 349.232 2.211 30 40 EEEB CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 7008370 XGTHMCCIUMSRPI-VCHYOVAHSA-N 347.396 2.325 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100386538 TTZLOJRHGLDNSU-GTINKURCSA-N 336.391 2.472 30 40 EEEB CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 550625 PYADEZJCZPNOMB-CYBMUJFWSA-N 340.383 2.025 30 40 EEEB CO/N=C/c1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1 42055696 YZLZMOVGNCKFGR-WSDLNYQXSA-N 335.367 2.178 30 40 EEEB N#Cc1ccc(OCC(=O)NCc2ccc(OCC3CC3)nc2)cc1 58324434 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EEEB N#Cc1ccc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2298183919 FVEVRHLQYQKWJU-AWEZNQCLSA-N 334.370 2.427 30 40 EEEB CCN(CC(=O)NC1(C#N)CCCC1)C[C@@H]1COc2ccccc2O1 36726038 FCTWGLUHBNZCSN-OAHLLOKOSA-N 343.427 2.101 30 40 EEEB CCc1nnc2n1C[C@H](CNCc1cn3ccccc3c1C#N)CC2 69742625 PGOJXTQJQOGNMG-AWEZNQCLSA-N 334.427 2.317 30 40 EEEB C/N=C(/NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)NC1CC1 103337856 QJOCHVKOUVMVJC-GJZGRUSLSA-N 330.476 2.123 30 40 EEEB C=CCNC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 3319348 SLAGFVVVXUEMDK-UHFFFAOYSA-N 342.351 2.299 30 40 EEEB CS(=O)(=O)c1n[nH]c(/N=C(\O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)n1 71886013 CMRAFRHWKXYQIK-VHSXEESVSA-N 340.792 2.253 30 40 EEEB N/C(=N/Cc1ccc2c(c1)CCC2)N1CCN(c2nccs2)CC1 95948337 IJEWMKXARCDNFZ-UHFFFAOYSA-N 341.484 2.269 30 40 EEEB C/N=C(\NCc1coc(-c2ccccc2)n1)NC[C@H](C)N1CCCC1 95964610 XPRCJNUDWWIWFO-HNNXBMFYSA-N 341.459 2.491 30 40 EEEB N#Cc1c(COC(=O)c2ccccc2OCC(N)=O)cn2ccccc12 22417211 OTOWCFFHOCUKKE-UHFFFAOYSA-N 349.346 2.032 30 40 EEEB Cc1ccc(NC(=O)CO/N=C(\N)c2ccc(N(C)C)cc2)cc1F 79863403 HYTCTUXYLJMKDN-UHFFFAOYSA-N 344.390 2.476 30 40 EEEB CCc1cnccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)C(=O)C1 96493700 TXRADBLSXZZMFT-UHFFFAOYSA-N 348.406 2.000 30 40 EEEB COC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 96403613 JNIQUKOHWSWKIN-CHWSQXEVSA-N 340.301 2.258 30 40 EEEB Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1 69351411 KOLFBNVNZZDMHQ-SFHVURJKSA-N 328.391 2.412 30 40 EEEB Cc1nnc(N2CCN(C(=O)c3ccccc3F)CC2)c(C#N)c1C 29523285 IAKGPUGZMSRAME-UHFFFAOYSA-N 339.374 2.067 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)C4(F)CCC4)C3)C2)n1 1565549346 PVMJABJIWMRTKL-WMLDXEAASA-N 344.390 2.017 30 40 EEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O 36848410 WNFNIUHJXXPTHH-LJQANCHMSA-N 333.347 2.208 30 40 EEEB CC(C)NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2cnc3ccccc32)nc1 101951331 JERKIEAVQDUGJH-AWEZNQCLSA-N 347.378 2.268 30 40 EEEB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C#N)cc2)cc1 2616022 VAQNUEIPJDPIGQ-UHFFFAOYSA-N 337.379 2.343 30 40 EEEB N#C[C@H](C(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 103503558 TVFDWZHBCNKNCX-IQIBNGDESA-N 348.358 2.454 30 40 EEEB COc1ccc([C@H]2NC(=O)C(=O)/C2=C(/O)c2ccccc2)cc1OC 103542436 BWTROINMJPDKNZ-IBOXJLQUSA-N 339.347 2.413 30 40 EEEB Cc1nc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1 23436961 CCGQCKGROALJRC-UHFFFAOYSA-N 340.452 2.210 30 40 EEEB N#Cc1cccc(COC(=O)CCn2cnc3ccccc3c2=O)c1 26229809 GJXLJORYPSNHQE-UHFFFAOYSA-N 333.347 2.402 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)CC[C@@H]2CCCO2)c1 58189426 YBZDCUBTIOWCMD-LBPRGKRZSA-N 341.385 2.078 30 40 EEEB N#Cc1ccc(OC[C@@H](O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 14246725 CMPYREQQXNSLTQ-HNNXBMFYSA-N 342.395 2.007 30 40 EEEB N#Cc1c[nH]c(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1 92454485 QPPHSYDTEBKOES-UHFFFAOYSA-N 337.383 2.228 30 40 EEEB N#CCCN(C[C@@H]1CCOC1)S(=O)(=O)c1c(F)cccc1Cl 96503239 SCBUJAFAGRLQDD-NSHDSACASA-N 346.811 2.420 30 40 EEEB N#Cc1cccc(CS(=O)(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c1 72728796 DAJQSWCIVTVWBC-IRXDYDNUSA-N 344.440 2.358 30 40 EEEB C#C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCO1 521393976 OWTHZKRVALNESY-KBPBESRZSA-N 335.787 2.412 30 40 EEEB O=c1onc(-c2cnccn2)n1CC#Cc1ccc(C(F)(F)F)cc1 85251494 AVQICYUPSISXKM-UHFFFAOYSA-N 346.268 2.364 30 40 EEEB CCOC(=O)c1ccc(/N=C(\N)Nc2ccc([N+](=O)[O-])cn2)cc1 225236512 ITQIFBOVUPBAPF-UHFFFAOYSA-N 329.316 2.225 30 40 EEEB CN1C[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)Cc2ccccc21 585128442 BJTDTNUFQPJBHD-RBUKOAKNSA-N 344.418 2.418 30 40 EEEB CCc1ccc([C@H](COC)NS(=O)(=O)[C@H]2CC[C@@H](C#N)C2)o1 1615583837 GKZKDBLOQRDUKF-XBFCOCLRSA-N 326.418 2.141 30 40 EEEB N#C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc(Cl)c(Cl)c1 68457507 SAFBSWYVDGGOOW-SKDRFNHKSA-N 326.183 2.200 30 40 EEEB Cc1ccc(N/C(N)=N\c2nc(C)c(CC#N)c(=O)[nH]2)cc1Cl 13634109 GEQIOXNZTQEVQW-UHFFFAOYSA-N 330.779 2.165 30 40 EEEB Cc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)nc(N(C)C)n1 1889116599 VDPFLLRLNUWHLM-UHFFFAOYSA-N 336.443 2.045 30 40 EEEB C#C[C@@](C)(CC)NS(=O)(=O)c1cc(OC)c(Cl)cc1OC 384691 QIIISPVHZLJUBC-AWEZNQCLSA-N 331.821 2.437 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)CN(C)CC2 29756503 GXJLFCANDWFEKA-LLVKDONJSA-N 342.424 2.409 30 40 EEEB C#CCNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 22760409 VRJYFPQFQYHHRI-UHFFFAOYSA-N 343.404 2.434 30 40 EEEB C=CCCOCC(=O)Nc1nc(-c2c[nH]c(C(=O)OC)c2)cs1 58171562 WBIOGEQTNMXTMY-UHFFFAOYSA-N 335.385 2.456 30 40 EEEB CCn1c([C@@H](C#N)c2c(Cl)cnn(C)c2=O)nc2ccccc21 28629627 KHFRADMAWJXFJT-JTQLQIEISA-N 327.775 2.459 30 40 EEEB CCn1ccc(=O)nc1SCC(=O)N(CCC#N)c1ccccc1 58169222 PTAALZMMCXPPPH-UHFFFAOYSA-N 342.424 2.302 30 40 EEEB C=CCc1c(O)nc(SCC(=O)Nc2ccc(CC)cc2)[nH]c1=O 13957214 BZFDYZGAOPGEKN-UHFFFAOYSA-N 345.424 2.497 30 40 EEEB N#C[C@H](NC(=O)c1n[nH]c2ccccc2c1=O)c1ccc(F)cc1F 72287890 RBFXILNZLKBCGM-AWEZNQCLSA-N 340.289 2.196 30 40 EEEB Cc1cccc(N2CCN(c3ncnc4c3cnn4CCC#N)CC2)c1 97199985 RDUXYANXKFSSMR-UHFFFAOYSA-N 347.426 2.375 30 40 EEEB CC/N=C(/NCCc1nc(C)no1)N(C)CCOc1ccccc1C 95397753 OCSNUWPPYVMPMM-UHFFFAOYSA-N 345.447 2.205 30 40 EEEB CCN(C[C@@H]1CN(Cc2cccc(C#N)c2)CCO1)c1cccnn1 84774651 KFUXBQWOABNGEX-SFHVURJKSA-N 337.427 2.076 30 40 EEEB C[C@@H](C/C(O)=N/S(=O)(=O)c1cnn(C)c1)c1ccccc1F 75126957 MXYCAMWNOSQUCS-JTQLQIEISA-N 325.365 2.398 30 40 EEEB CC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccc(F)cc1)C(F)(F)F 96232813 ZIAABZSMKFSPKJ-CQSZACIVSA-N 345.248 2.276 30 40 EEEB Cc1nc(C/C(N)=N/OCC(=O)N2CCCc3ccccc32)cs1 63456906 VXWGZJXWBNEUFM-UHFFFAOYSA-N 344.440 2.262 30 40 EEEB N#Cc1ccccc1/C=C/C(=O)N(CCO)C[C@@H](O)c1ccccc1 5003974 AVJVXGILPDBDGV-GNISGLHKSA-N 336.391 2.126 30 40 EEEB Cn1c([C@H](C#N)c2nc(C#N)c(C#N)nc2Cl)nc2ccccc21 5071994 UUKNWLCJCCLKCH-SECBINFHSA-N 333.742 2.416 30 40 EEEB O=C1CSC(=S)N1/N=C\c1cc(Br)ccc1O 16922710 CXUQOYKAJBBLPQ-QCDXTXTGSA-N 331.216 2.349 30 40 EEEB N#Cc1ccc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)c(F)c1 1889125134 GRRGQWMCJYXLII-INIZCTEOSA-N 347.459 2.485 30 40 EEEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(O)cc4O)cnc3c2c1 500512 CMVLLCPMJAPFNU-DNTJNYDQSA-N 334.335 2.480 30 40 EEEB N#Cc1ccc(CN2CCCN(CC(=O)N3CCCCC3)CC2)cc1 54454781 ZEZJCSNLSNWHDD-UHFFFAOYSA-N 340.471 2.078 30 40 EEEB N#Cc1cccnc1NCCNC(=O)NCC1(c2ccccc2)CC1 45376395 QZECUVPSGDZLQH-UHFFFAOYSA-N 335.411 2.396 30 40 EEEB COc1ccc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 14247723 ODJUHATXHGBALK-UHFFFAOYSA-N 349.434 2.454 30 40 EEEB O=C(O)C[C@H]1S/C(=N/N=C/c2c(Cl)cccc2Cl)NC1=O 5749280 AFVPZSNVBOVOOC-DXLPTXHLSA-N 346.195 2.390 30 40 EEEB C[C@]1(CCc2ccc(Oc3ncccc3C#N)cc2)NC(=O)NC1=O 8747255 GVAOWQMBBZMGQI-GOSISDBHSA-N 336.351 2.276 30 40 EEEB N#Cc1cccnc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96004967 JMTSJJMLSDAFMY-INIZCTEOSA-N 342.424 2.364 30 40 EEEB CCc1nc(CN(C)[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)no1 78891552 PNWGPIYMLKNLOL-HNNXBMFYSA-N 343.406 2.349 30 40 EEEB Cc1cnc(CN(C)[C@@H]2CCN(CCOc3cccc(C#N)c3)C2)o1 95402344 AWIOHZQQKHAXEL-QGZVFWFLSA-N 340.427 2.440 30 40 EEEB CC(C)(C)c1cnc(CNS(=O)(=O)Cc2cccc(C#N)c2)o1 75091946 NKATXODRERIVGJ-UHFFFAOYSA-N 333.413 2.463 30 40 EEEB C#CCOc1cc(F)ccc1NC(=O)c1nc2nc(C)cc(C)n2n1 75146244 ZINONQVBBRFGLY-UHFFFAOYSA-N 339.330 2.145 30 40 EEEB CC(=O)N1CCC(=NOS(=O)(=O)c2ccc(Cl)cc2)CC1 408612327 VNEVSIYVKNXFNH-UHFFFAOYSA-N 330.793 2.044 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)CC(C)C)nc1 69769375 BJDUAMCQXOJYAY-AWEZNQCLSA-N 337.445 2.334 30 40 EEEB Cc1nc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@H]3C2)cs1 2086934472 RWPBTTKKNXWBRU-GASCZTMLSA-N 325.441 2.286 30 40 EEEB N#Cc1cnc(N2CCN(Cc3ccccc3)C(=O)C2)c(Cl)c1 1167103612 GDLWBLYDPQGWAI-UHFFFAOYSA-N 326.787 2.455 30 40 EEEB CCNC(=O)COc1c(Br)cc(C#N)cc1OCC 31277263 HVJRCGDZNKCERE-UHFFFAOYSA-N 327.178 2.234 30 40 EEEB CCc1nc(N2CCN(C(C)=O)CC2)c(C#N)c2c1COC(C)(C)C2 20790103 LIIFQOOLUMNBMU-UHFFFAOYSA-N 342.443 2.035 30 40 EEEB N#Cc1c(CCCNC2CCN(Cc3ccccc3)CC2)n[nH]c1N 23654292 ZCMGFSISJMHWFL-UHFFFAOYSA-N 338.459 2.050 30 40 EEEB CCN(CC)c1ccc(/C=C2\S/C(=N\CC(=O)O)NC2=O)cc1 28294912 UDXQBMJNIYSILC-LCYFTJDESA-N 333.413 2.177 30 40 EEEB COc1ccc(/C=N/OCC(=O)NCc2cccs2)c(OC)c1 3378197 JNTFCPUWOYYDTC-GIJQJNRQSA-N 334.397 2.432 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)nc1 58209577 NLSBKSIOVSKQOD-UHFFFAOYSA-N 332.407 2.404 30 40 EEEB C[C@@]1(c2ccsc2)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O 58223857 JPKJPHQCDDITDR-KRWDZBQOSA-N 341.392 2.466 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1 58330895 SVFRHPHKKYVYGL-UHFFFAOYSA-N 345.406 2.175 30 40 EEEB COc1cccc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)c1OC 48599815 HDKKPUHVCHJHQU-UHFFFAOYSA-N 346.364 2.269 30 40 EEEB CC(=O)N1CCN(c2oc(/C=C/c3cccs3)nc2C#N)CC1 21799855 MAUZLLNBLXIOFN-SNAWJCMRSA-N 328.397 2.447 30 40 EEEB N#Cc1ccccc1OCC(=O)N1CCN(c2ccccc2F)CC1 6750033 QTUHEKLQTMAFFX-UHFFFAOYSA-N 339.370 2.425 30 40 EEEB Cc1c(NC(=O)C2(C#N)CCCC2)cccc1C(=O)N1CCOCC1 71884222 QNYKKOYMRFQMAU-UHFFFAOYSA-N 341.411 2.490 30 40 EEEB Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)N2CCC[C@H]2CO)c1C 72292623 SRTLRVLCLVRVFB-INIZCTEOSA-N 339.399 2.349 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)c2ccco2)nc1 75582306 GTVMUZAOXHVOTK-ZDUSSCGKSA-N 347.396 2.195 30 40 EEEB C#CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O 409059812 XNNCZLSQRZMTTP-NTUHNPAUSA-N 348.336 2.282 30 40 EEEB CC(=O)/C(=C\Nc1ccc(C(=O)O)cc1)c1nnnn1-c1ccccc1 35586102 UTERCSSAZYGPNN-LFIBNONCSA-N 349.350 2.403 30 40 EEEB N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cn[nH]c3)C2)c(F)c1 69035620 DIMMKBJRRWFBBO-GFCCVEGCSA-N 328.351 2.211 30 40 EEEB C=CCN1CCO[C@H]2CN(C(=O)/C=C/c3cccs3)CC[C@@H]2C1 1565548616 GJGNZGOAMURHCC-HEDFYIJFSA-N 332.469 2.497 30 40 EEEB N#Cc1ccc(NC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1 40513531 NYSCIXRZFDSAGV-KRWDZBQOSA-N 328.416 2.277 30 40 EEEB N#C[C@@]1(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCSC1 69658264 WSAITBZDJZLULO-WMZOPIPTSA-N 329.469 2.414 30 40 EEEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-n2ccnc2)cc1 101918684 OMWNOKJYQHLARR-HNNXBMFYSA-N 331.335 2.228 30 40 EEEB N#Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 22465149 NIAKYYHYAYHBAR-INIZCTEOSA-N 341.436 2.423 30 40 EEEB COC(=O)CCN(CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 63513141 OVFCRXATDJFBKI-UHFFFAOYSA-N 343.427 2.004 30 40 EEEB C#CCNC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 8710340 NJMATIRONGJFON-UHFFFAOYSA-N 342.420 2.467 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(CCN2CCOCC2)CC1 65529751 CORCDMDLWVFFPK-UHFFFAOYSA-N 344.415 2.405 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)CN3CSCC3=O)c2C#N)C1 7718911 LDKWDMNHEMSYGY-VIFPVBQESA-N 335.454 2.216 30 40 EEEB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1cccc(C#N)c1 69348116 CMDMLSPMFXBTMG-UONOGXRCSA-N 328.416 2.147 30 40 EEEB CCCCN1CCC(NC(=O)C(=O)Nc2ccc(CC#N)cc2)CC1 71920349 BVPWMCMFVWQQMQ-UHFFFAOYSA-N 342.443 2.072 30 40 EEEB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(C#N)cs1 95982328 LNQZFJLSOXQQQM-NSHDSACASA-N 335.454 2.460 30 40 EEEB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C1(C#N)C#N 218199621 DEGNIUPVGFSGFV-NEPJUHHUSA-N 339.214 2.383 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1 97495032 OZZHCUJQRGBEEY-INIZCTEOSA-N 325.368 2.258 30 40 EEEB biogenic CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2nccs2)CC1 585091113 YUBYJIDYXHOIMH-UHFFFAOYSA-N 349.456 2.410 30 40 EEEB CCN(CC)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)Cc2ccnn21 575406435 PLGAVMDDUNSLEI-GOSISDBHSA-N 337.427 2.294 30 40 EEEB N#Cc1cccc(C(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1 96378279 HZSZTBLXRVLYAR-UHFFFAOYSA-N 332.425 2.130 30 40 EEEB CCCn1cc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 97142023 OYJCFOUYRBEDCR-UHFFFAOYSA-N 325.372 2.460 30 40 EEEB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/Nc3nnn[nH]3)o2)c1 4150954 OVTBBVWNLICDRF-MKMNVTDBSA-N 333.695 2.467 30 40 EEEB C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 5437574 ACBTVJVIWCCPIC-UHFFFAOYSA-N 342.424 2.168 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@]2(O)CCCc3sccc32)cc1 1889147622 YICPPKWPSPWNCT-MRXNPFEDSA-N 348.449 2.122 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1c1cnn(C)c1 69628606 UUKTXLCSOWSTCE-HNNXBMFYSA-N 340.383 2.043 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 69706531 MVMPZKFHTWCLFS-LLVKDONJSA-N 332.404 2.382 30 40 EEEB CCN(CC)C(=O)CN(C)C(=O)c1c(C)oc(-n2cccc2)c1C#N 32716405 USVYAMCAQLIWCG-UHFFFAOYSA-N 342.399 2.191 30 40 EEEB COc1ccc(CCN/C(N)=N/Cc2ccc(C)nc2)cc1OC 69777839 GSQHNWVBUKZMTF-UHFFFAOYSA-N 328.416 2.054 30 40 EEEB C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cnn(C(C)(C)C)c1 91936909 IJQJYAOBSNUEBB-CQSZACIVSA-N 339.447 2.010 30 40 EEEB COCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 108093366 FXMPEKJYRJFCHK-GDBMZVCRSA-N 330.432 2.019 30 40 EEEB N#Cc1cn(-c2ccc3nc(N4CCCC4)sc3c2)c(=O)nc1O 48279922 UBIHMPBCXONJTG-UHFFFAOYSA-N 339.380 2.020 30 40 EEEB COc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409405618 IDAGAYQLVKQTOF-FCIDVOKBSA-N 330.771 2.490 30 40 EEEB Cc1nnc(NCCCNC(=O)c2ccccc2F)c(C#N)c1C 63266846 UUBYKMQEGMPUON-UHFFFAOYSA-N 327.363 2.336 30 40 EEEB N#Cc1cnc(SCC(=O)Nc2cc(Cl)ccc2O)nc1N 4935442 SJYBGLNHTQCUEC-UHFFFAOYSA-N 335.776 2.020 30 40 EEEB Cn1cc([C@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)cn1 71799312 XDUDEUYGMVMGMS-PKOBYXMFSA-N 340.427 2.063 30 40 EEEB CN(CC(=O)Nc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 16628782 GRMATESWTRWWGG-MRXNPFEDSA-N 337.379 2.269 30 40 EEEB CN(Cc1nccn1C(F)F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 72766666 HPULQOOSFZZYPS-CQSZACIVSA-N 345.353 2.387 30 40 EEEB Cc1nc([C@H]2CCCN(C(=O)COc3cccc(C#N)c3)C2)no1 72231785 AQCQLSHMZFJEAU-AWEZNQCLSA-N 326.356 2.035 30 40 EEEB N#CCCn1ncc2c(NCCc3ccc4c(c3)OCO4)ncnc21 97200386 QAUDSEVBDJMQSH-UHFFFAOYSA-N 336.355 2.123 30 40 EEEB CCOCCCN/C(=N/[C@@H](C)[C@H]1CCCO1)NCc1ccccn1 95350521 PIVUWKRPTFJPHQ-DOTOQJQBSA-N 334.464 2.111 30 40 EEEB N/C(=N/Cc1cc2c(s1)CCC2)N1CCN(c2nccs2)CC1 95948344 IVKCIJACYIFANE-UHFFFAOYSA-N 347.513 2.330 30 40 EEEB CN(C(=O)c1ccncc1I)C1(C#N)CCC1 95977706 LQJOFZBZICWVFI-UHFFFAOYSA-N 341.152 2.204 30 40 EEEB C[C@H](C1CC1)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 110707278 BPPUYJRWLAJTKN-GDBMZVCRSA-N 346.500 2.187 30 40 EEEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3)C2=O)cc1 408526552 DLKNMLLARJBMJM-OAHLLOKOSA-N 337.335 2.297 30 40 EEEB N#Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccn2)n1 408582701 PDXRFXGFZTUNGL-UHFFFAOYSA-N 336.380 2.469 30 40 EEEB NC(=S)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409383953 RBOMOTVPTQKKPA-RQZCQDPDSA-N 330.369 2.341 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1 84591594 UHVUFPLUOPCHLY-QGZVFWFLSA-N 337.427 2.178 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 43056057 BXOXNABVZXOLNT-YVEFUNNKSA-N 337.379 2.208 30 40 EEEB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 5450115 BKUVSYMNSILIGS-LJQANCHMSA-N 349.346 2.254 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2[nH]1 17304181 XOLVUPUQXMLDAX-UHFFFAOYSA-N 335.367 2.311 30 40 EEEB C#CCOc1ccc(C[C@@H]2SC(=S)N(CCOC)C2=O)cc1 8104637 BUXJXNNGYMXKHC-AWEZNQCLSA-N 335.450 2.116 30 40 EEEB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1C#N 57843158 VOLCCDGAXQNEJV-ZDUSSCGKSA-N 329.425 2.399 30 40 EEEB CS(=O)(=O)/N=C(\O)c1ccc(OCc2ccccc2C#N)cc1 48486828 WGNSLUALISNLDE-UHFFFAOYSA-N 330.365 2.401 30 40 EEEB CCn1nnnc1S[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16461406 RILVELYXBLMXKG-MRVPVSSYSA-N 336.808 2.337 30 40 EEEB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CCC#N)CC3)c2c1 20728371 OPOQIDAITHQMRU-KRWDZBQOSA-N 326.400 2.133 30 40 EEEB C=CCN(CC=C)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 65528709 HKPFXESRXDNLEW-AWEZNQCLSA-N 327.384 2.044 30 40 EEEB CCc1cc(N2CCC[C@H]2C(N)=O)n2c(nc3ccccc32)c1C#N 9319445 LJBKCDYMLAWOFD-INIZCTEOSA-N 333.395 2.376 30 40 EEEB C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CCN1CC(F)(F)F 96485854 BUZBZFRYQGFDRB-CQSZACIVSA-N 339.361 2.316 30 40 EEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)c1OC 169690779 HGNLXMZZPNMQLU-GHEFBFOLSA-N 340.379 2.235 30 40 EEEB N#Cc1ccc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2298183920 FVEVRHLQYQKWJU-CQSZACIVSA-N 334.370 2.427 30 40 EEEB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c3ccccc32)C1 51319045 CURSCDRYHGBJKY-CQSZACIVSA-N 339.395 2.315 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NCC(=O)N1CCc2ccccc2C1 69438825 YGSURCYOFVNDPN-UHFFFAOYSA-N 336.351 2.463 30 40 EEEB C=C(Br)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 69845598 JRULRWZNJMLSRF-OLZOCXBDSA-N 343.265 2.440 30 40 EEEB N#Cc1cccnc1NCCNC(=O)c1cnc(-c2ccccc2)nc1 65403039 WJQDJQHMTVXCFB-UHFFFAOYSA-N 344.378 2.252 30 40 EEEB C=CC/N=C(\NCCOC)NCc1cccc(COCCOCC)c1 71804047 ATTVDSVJPFWSMK-UHFFFAOYSA-N 349.475 2.107 30 40 EEEB CN(C)c1ncc(Br)cc1C(=O)Nc1ccc(C#N)cn1 72282008 JYSALMJEBPPQQR-UHFFFAOYSA-N 346.188 2.429 30 40 EEEB N#Cc1c(NC(=O)CN2CCn3ccnc3C2)sc2c1CCCC2 97201349 GKLDTEXJVMIQJR-UHFFFAOYSA-N 341.440 2.149 30 40 EEEB COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])cc2C#N)CC1 95351778 WCYSWJVGYGDGMD-UHFFFAOYSA-N 346.387 2.153 30 40 EEEB N#Cc1ccnc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)c1 329139218 SJDNEQCBHFGZEI-UHFFFAOYSA-N 346.438 2.436 30 40 EEEB Cc1nn(C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 225693008 FPCMYHQOPDSQMZ-UHFFFAOYSA-N 344.318 2.420 30 40 EEEB Cc1c(NC(=O)c2ccc(C#N)n2C)c(=O)n(C2CCCCC2)n1C 603114781 CXZCCMDOPLHGTM-UHFFFAOYSA-N 341.415 2.463 30 40 EEEB CC(=O)N[C@H](CC(=O)NC1(C#N)CCCC1)c1c(F)cccc1F 67152520 SAYXTHYSRMCYAZ-CQSZACIVSA-N 335.354 2.485 30 40 EEEB CN1C[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O 68457952 ZZGMXWXYWLOTGF-JOYOIKCWSA-N 326.183 2.153 30 40 EEEB CC[C@@H]1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@@H]1N(C)C 89948401 DJMHFHVUNDFIPM-AEFFLSMTSA-N 345.491 2.145 30 40 EEEB Cc1cccc(N2CCN(CCC(=O)NC3(C#N)CCC3)CC2)c1 96427170 RFJHDZWNNKTHTE-UHFFFAOYSA-N 326.444 2.070 30 40 EEEB CNC(=O)[C@@H](CC(C)C)NC(=O)CCCCOc1cccc(C#N)c1 71896036 JEMPHFJCLQNZDB-QGZVFWFLSA-N 345.443 2.384 30 40 EEEB Cc1cc(F)cc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1[N+](=O)[O-] 89587337 FKCHZUVLANLVKO-HNNXBMFYSA-N 348.378 2.348 30 40 EEEB CS[C@@H]1C(C(=O)C(F)(F)F)=C(CC(=O)O)C(=O)N1CC(C)C 62716459 MSPSQTCTVRCFMQ-GFCCVEGCSA-N 339.335 2.076 30 40 EEEB Cc1cc(NC(=O)[C@H](C)N2CCc3ccccc3C2)n(CCC#N)n1 69704659 YFTACHLPLVKZEH-HNNXBMFYSA-N 337.427 2.491 30 40 EEEB C=CCN1CCO[C@H]2CN(C(=O)c3ccc(COC)cc3)CC[C@@H]2C1 1565551384 DHYOZZBTDATIJI-MOPGFXCFSA-N 344.455 2.182 30 40 EEEB C/N=C1/S[C@H](CC(=O)Nc2ccccc2OC(F)F)C(=O)N1C 100880426 UEPRAXTWCPGZBP-SBGIHMHXSA-N 343.355 2.176 30 40 EEEB COc1ccc2ccccc2c1/C=N/Nc1nc2c(=O)[nH]cnc2[nH]1 6621686 XMEUQWSCNHFEJC-DNTJNYDQSA-N 334.339 2.254 30 40 EEEB Oc1ccc(/C=N/NC(=S)N[C@@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c(O)c1 104215902 WBQNOLKWDAGQAC-ZNNSSMEOSA-N 343.452 2.497 30 40 EEEB 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([N+](=O)[O-])s1 101374073 KCZFLFYOLLDLKV-NNCIDBPQSA-N 343.364 2.043 30 40 EEEB N#CCCN(C[C@@H]1CCOC1)S(=O)(=O)c1cc(F)c(F)cc1F 69451280 NGGUXIVRHXLQCD-JTQLQIEISA-N 348.346 2.045 30 40 EEEB N#Cc1ccc(NC[C@H]2CCN(Cc3ccc4c(c3)OC(=O)C4)C2)nc1 65502600 SFYVOMPWTYNEMC-MRXNPFEDSA-N 348.406 2.349 30 40 EEEB N#Cc1c(CCCNC(=O)c2cc3ccccc3cc2O)n[nH]c1N 6588982 DTTNBIJCXNDWDP-UHFFFAOYSA-N 335.367 2.085 30 40 EEEB N#Cc1ccnc(N2CCN(CCOc3ccccc3C#N)CC2)c1 71821733 XTKYCMNSYURRCT-UHFFFAOYSA-N 333.395 2.026 30 40 EEEB N#Cc1ccc(NC(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1 78936322 RVWVRGCQIJKDDH-CQSZACIVSA-N 326.381 2.325 30 40 EEEB N#Cc1cccc(C(=O)N2CCn3cc(CN4CCCCC4)nc3C2)c1 96197270 ZKULSQRVHKHWBB-UHFFFAOYSA-N 349.438 2.397 30 40 EEEB CN1CCN(C(=O)COc2ccccc2C#N)[C@@H](c2ccccc2)C1 30029168 FRZFIIIUPBJETF-GOSISDBHSA-N 335.407 2.452 30 40 EEEB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)s1 40161428 JRMOSAFFUJEIBT-UHFFFAOYSA-N 335.410 2.057 30 40 EEEB Cc1ccc2ncn(CC(=O)NC3(C#N)CCCCCC3)c(=O)c2c1 40543371 CJJATTHGUGGTLY-UHFFFAOYSA-N 338.411 2.438 30 40 EEEB N#CCCn1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 70019728 HGTQQPYMNYFRQG-MRXNPFEDSA-N 338.415 2.193 30 40 EEEB C[C@@H]1CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CCN1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 100986993 NVGJHFALHAUOTL-KZKXBTMNSA-N 346.475 2.250 30 40 EEEB C[C@@]1(c2ccccc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 47347156 QQGCJKDQEWHNKQ-IBGZPJMESA-N 335.363 2.404 30 40 EEEB Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)c(C#N)c1C 54124901 OTHHBBGSWKAPCJ-UHFFFAOYSA-N 341.440 2.379 30 40 EEEB Cc1cc(C)c(C#N)c(N2CCC(C(=O)NCC(F)(F)F)CC2)n1 26776239 CLUMBKMSYYBWIO-UHFFFAOYSA-N 340.349 2.465 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1 58393723 WBIFHFUNFHIEDF-UHFFFAOYSA-N 337.408 2.308 30 40 EEEB C=CCn1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c2ccccc21 408914252 XNJTUSIRJYXQME-UKTHLTGXSA-N 325.393 2.084 30 40 EEEB CCN(CC(=O)Nc1nc(C#N)c(C#N)[nH]1)Cc1ccc(Cl)cc1 71897862 JXOVCLHJVILWMF-UHFFFAOYSA-N 342.790 2.267 30 40 EEEB CS(=O)(=O)NC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 97163530 YLTHHERZSVZFDN-UHFFFAOYSA-N 347.362 2.095 30 40 EEEB COc1ccccc1[C@@H](C#N)NC(=O)c1cccc2c1oc(=O)n2C 95453911 MGKLEULAAQUOFT-CYBMUJFWSA-N 337.335 2.135 30 40 EEEB C=CCn1c(Sc2nc(C)cc(C)n2)nnc1-c1cnccn1 95975963 LXMJPDWXHBPWGA-UHFFFAOYSA-N 325.401 2.479 30 40 EEEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c(F)c1 409211200 NBJBMYWJLTVTCU-UHFFFAOYSA-N 343.270 2.401 30 40 EEEB CCc1noc([C@H]2CCCN(S(=O)(=O)c3cccc(C#N)c3)C2)n1 41122303 AROVMRONQLNDGK-ZDUSSCGKSA-N 346.412 2.072 30 40 EEEB N#Cc1cc(N2CC[C@H](Oc3cncc(Br)c3)C2)ncn1 521398441 HCVLLGSQDMRJSA-LBPRGKRZSA-N 346.188 2.163 30 40 EEEB CCCCN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 256075699 YVEVAAHLEQKBBW-BCYZHJNNSA-N 345.439 2.088 30 40 EEEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(OC)cc1 8254597 RSEHFCTVVFUHHR-OFQRWUPVSA-N 329.469 2.325 30 40 EEEB biogenic,in-vitro C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)CC)ccc21 9166833 QWDJVHMASQOHML-UHFFFAOYSA-N 338.429 2.386 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 23054985 NDDJMNLRJKKFIE-UHFFFAOYSA-N 342.380 2.490 30 40 EEEB N#Cc1csc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 93667413 IYPIPVBIYLUCFF-OAHLLOKOSA-N 333.457 2.223 30 40 EEEB Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1C 71819390 IPZJEQMZQNMJGC-ZDUSSCGKSA-N 331.420 2.459 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc[nH]1 72272750 YDAUQQRKJGHJHD-KRWDZBQOSA-N 338.411 2.488 30 40 EEEB N#C[C@@H](NC(=O)CCc1ccc(Br)cc1)[C@@H]1CCOC1 97212858 BHPCMALVRLRCQY-TZMCWYRMSA-N 337.217 2.427 30 40 EEEB COC[C@@](C)(C#N)NC(=O)c1cc(C)n(-c2ccccc2Cl)n1 95988944 DPPWOHZMHJHLTO-MRXNPFEDSA-N 332.791 2.493 30 40 EEEB COc1cc(/C=C\C(=O)c2c(O)cc(C)oc2=O)cc(OC)c1O 33387544 NCXJIWTVFHYSKF-PLNGDYQASA-N 332.308 2.273 30 40 EEEB C#CCNS(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)cc1 8986983 JMYAYQLMWKCULT-UHFFFAOYSA-N 346.452 2.218 30 40 EEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)ccc1O 222249205 NZZIINGTBIMOCT-NENZEXLSSA-N 340.379 2.322 30 40 EEEB Cc1cc(C(=O)NC(C)C)ccc1NCC(=O)N[C@](C)(C#N)C1CC1 58152988 FELUWIOMXVMWOZ-LJQANCHMSA-N 342.443 2.354 30 40 EEEB CCNC(=O)Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 64724106 JYTOZQOILBAJLZ-UHFFFAOYSA-N 336.395 2.287 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)CSC)cc1OC 67001069 YLYDMLWCDRSQBA-SECBINFHSA-N 333.431 2.348 30 40 EEEB N#Cc1ccc(N2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)nc1 71821778 LRBNZVOOZNIUHA-QGZVFWFLSA-N 342.830 2.462 30 40 EEEB Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)NCCn2ccnc2)c1C 72292619 BHCXUUHWHIJKDU-UHFFFAOYSA-N 349.398 2.379 30 40 EEEB CCOC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(C#N)c1)C2 306127294 FUOFAGWYWJSUCP-INIZCTEOSA-N 327.428 2.131 30 40 EEEB Cc1nnc(NC[C@H](c2ccccc2)N2CCOCC2)c(C#N)c1C 29526064 QWTNGLAETXHGGP-GOSISDBHSA-N 337.427 2.451 30 40 EEEB C[C@H](C(=O)O)[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1 1889291 BYJAGIXHOZUBME-MRVPVSSYSA-O 329.163 2.006 30 40 EEEB Cc1nn(C)c(C)c1[C@H](C)C(=O)NCCNc1cccc(F)c1C#N 58421594 YITWUCJMZNYAEH-NSHDSACASA-N 343.406 2.380 30 40 EEEB O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)n1nnnc1N2 18195991 YASSNHLYVLABDL-CYBMUJFWSA-N 346.188 2.458 30 40 EEEB COc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)cc1C#N 83881700 VSONUZLGKGJLQW-UHFFFAOYSA-N 337.427 2.326 30 40 EEEB Cc1nc([C@H]2CCCN(C(=O)COc3ccc(C#N)cc3)C2)no1 72232017 RRVUBSPDROZBPL-AWEZNQCLSA-N 326.356 2.035 30 40 EEEB Cc1nsc2ncc(C(=O)N(CCC#N)CCCN(C)C)cc12 95350965 NQVBNBPXUXXGRA-UHFFFAOYSA-N 331.445 2.307 30 40 EEEB N#Cc1ccc(N2CC[C@@H](Nc3ccc(-n4cncn4)cc3)C2=O)cc1 79048340 BTXFXIBLROQTGB-GOSISDBHSA-N 344.378 2.356 30 40 EEEB C=C(C)CN1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 73436838 FKGRWZRUOTUSIE-UHFFFAOYSA-N 349.519 2.178 30 40 EEEB C=CCN(Cc1cccs1)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 330032355 MHRNKNHAMVQDKE-AWEZNQCLSA-N 339.482 2.478 30 40 EEEB C[C@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)NC(N)=O 69493710 CDORGBZEMJZSTF-LBPRGKRZSA-N 338.367 2.133 30 40 EEEB COc1ccc([C@@H]2c3c(C)n[nH]c3Oc3[nH]c(=O)c(C#N)c(N)c32)cc1 5640701 DEOCXJCKQDXNEA-CYBMUJFWSA-N 349.350 2.155 30 40 EEEB O/N=C/c1cccc[n+]1CCCCCC[n+]1ccccc1/C=N/O 5945706 AZBNAGGNLZHEDV-UHFFFAOYSA-P 328.416 2.138 30 40 EEEB O=C(O)C/N=C1/NC(=O)/C(=C/c2ccc(Br)cc2)S1 15057167 PWAYIDQKKBVKKH-UITAMQMPSA-N 341.186 2.094 30 40 EEEB C=C(C)Cn1c(SCCCCC)nc2c1c(=O)n(C)c(=O)n2C 2388451 SXCLGRQFRJUHMI-UHFFFAOYSA-N 336.461 2.292 30 40 EEEB N#Cc1c[nH]nc1NC(=O)C(=O)NC(c1ccccc1)c1ccccc1 12321235 NUBKCIVPXUXINA-UHFFFAOYSA-N 345.362 2.126 30 40 EEEB C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cnn(C(C)(C)C)c1 91936910 IJQJYAOBSNUEBB-AWEZNQCLSA-N 339.447 2.010 30 40 EEEB Cc1cc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)no1 44591022 JOGWXASKKPKAHO-MAUKXSAKSA-N 327.384 2.432 30 40 EEEB N#Cc1cccnc1N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 65459368 TUGSMLZUALDGEF-JKSUJKDBSA-N 336.395 2.389 30 40 EEEB O=C1CCCC2=C1[C@H](c1ccccc1Cl)c1c([nH]c(=O)[nH]c1=O)N2 6863815 LYJBJUIIKSFSSC-LBPRGKRZSA-N 343.770 2.281 30 40 EEEB N#CCOc1ccc(/C=C/C(=O)/N=c2/[nH]nc(-c3ccco3)[nH]2)cc1 72277471 LQSWCUPCYMYZKH-VMPITWQZSA-N 335.323 2.041 30 40 EEEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)c1cccc2c1ccn2C 77940449 IHMFMUYAEQQJPY-UHFFFAOYSA-N 346.412 2.222 30 40 EEEB C[C@]1(CN/C(=N\C2CCCC2)NCc2nc(C3CC3)no2)CCCO1 195564445 YVXNMMUYDTYBHS-GOSISDBHSA-N 347.463 2.494 30 40 EEEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)Cc1ccc(F)cc1OC 96065704 DXKXNIFTDQDCET-BXWFABGCSA-N 349.402 2.338 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 5398256 IOBMRVHPZXMEID-UHFFFAOYSA-N 339.738 2.446 30 40 EEEB CCCN1C(=O)/C(=N\OCC(=O)N2CCC(C)CC2)c2ccccc21 2649658 PVYWCZVLEAPEFY-ZZEZOPTASA-N 343.427 2.422 30 40 EEEB N#Cc1ccccc1OC[C@@H](O)CNC[C@H](CCO)c1ccccc1 600741271 DEGQZCJNIJARHU-OALUTQOASA-N 340.423 2.054 30 40 EEEB N#Cc1nccnc1N1CCC(CNC(=O)c2ccsc2)CC1 206601115 STJPSTFZMAPKFN-UHFFFAOYSA-N 327.413 2.056 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)Cc2ccccc2Cl)C1 225800144 HRRRSQIBDXCERQ-ZDUSSCGKSA-N 342.786 2.224 30 40 EEEB Cc1cc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc(C)c1O 45871172 UARQJBSWFUPCMM-RQZCQDPDSA-N 329.381 2.082 30 40 EEEB CC(=O)NCCC(=O)[C@H](C#N)C(=O)c1c[nH]c2cc(Cl)ccc12 101253464 KCEDQHUZVIWZGW-LBPRGKRZSA-N 331.759 2.239 30 40 EEEB Cc1nc(C(=O)N2CCCN(Cc3cscn3)CC2)ccc1C#N 69661340 SGIZGFVUUOPEPT-UHFFFAOYSA-N 341.440 2.066 30 40 EEEB COc1ccc([C@@H]2NC(=O)C(=O)/C2=C(/O)c2ccccc2)c(OC)c1 102800673 WTHSDQPIMUAVJH-UYTDBDHRSA-N 339.347 2.413 30 40 EEEB CCCN(CC1CC1)C(=O)COC(=O)COc1ccc(C#N)cc1 3331520 XEFJZOIEZFAALI-UHFFFAOYSA-N 330.384 2.129 30 40 EEEB COC(=O)[C@@](C)(NC(=O)COc1ccc(C#N)cc1)c1ccccc1 65552706 RGYJHJRWUCBJEG-IBGZPJMESA-N 338.363 2.142 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 65539003 ZODINPMXJURKOG-LPHOPBHVSA-N 342.464 2.411 30 40 EEEB CC(C)CNc1oc(-c2ccc(S(=O)(=O)N(C)C)o2)nc1C#N 71286103 ZUPPHIGVNBLKHZ-UHFFFAOYSA-N 338.389 2.124 30 40 EEEB N#Cc1cccc(S(=O)(=O)NCCCn2cnc3ccccc32)c1 7286637 LVMUBBQFECVDDZ-UHFFFAOYSA-N 340.408 2.277 30 40 EEEB Cc1nc([C@H]2CCCN(C(=O)COc3ccccc3C#N)C2)no1 72232019 KERLYGHHXBINPB-AWEZNQCLSA-N 326.356 2.035 30 40 EEEB N/C(=N/OCC(=O)N1CCc2ccccc21)c1nccc2ccccc12 72281946 UWAIWFMGNJTBEL-UHFFFAOYSA-N 346.390 2.461 30 40 EEEB N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)c1 568874262 XYHFFYNSZARUKX-PEGIJTEDSA-N 341.230 2.398 30 40 EEEB C=CCn1c(O)nnc1SC[C@H]1CCN1C(=O)OC(C)(C)C 1616035059 PWYGGNRRXHFENY-SNVBAGLBSA-N 326.422 2.271 30 40 EEEB Cc1ccnc(OC[C@]23CCC[C@@H]2CN(c2nccc(C#N)n2)C3)n1 1888863521 KIPUUJDFKRDJHU-RDTXWAMCSA-N 336.399 2.132 30 40 EEEB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccccc1C#N 4704657 XUDFYXVITRIDRT-OVCLIPMQSA-N 349.346 2.326 30 40 EEEB CC(C)C[C@@](C)(C#N)NC(=O)CCN1C(=O)c2ccccc2C1=O 69621949 QYYRHEUUKCNRKT-SFHVURJKSA-N 327.384 2.117 30 40 EEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 101021267 XKBCFGZEXNSYOH-RBTMAHLYSA-N 325.324 2.044 30 40 EEEB CC(C)C[C@](C)(C#N)NC(=O)CCn1cnc2ccccc2c1=O 58406215 XHDZWOIDHJVPMF-GOSISDBHSA-N 326.400 2.231 30 40 EEEB Cc1ccc(N2CCC[C@H](NCCOc3cccc(C#N)c3)C2)nn1 71859788 WKIKEVDONNEVRU-KRWDZBQOSA-N 337.427 2.294 30 40 EEEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)c1scnc1C1CC1 89968247 PMOZXRIILKCAMM-SNVBAGLBSA-N 330.431 2.224 30 40 EEEB C=CCOc1ccccc1C(=O)N[C@@H]1C[C@H](N2CCOCC2)C1(C)C 585130519 SPWSORJNTCYWRS-MSOLQXFVSA-N 344.455 2.481 30 40 EEEB Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 591657316 MZDUZKVVLVULIY-HNNXBMFYSA-N 325.372 2.293 30 40 EEEB CC1CC(C(=O)N2C[C@H]3OC[C@@H](COc4ccc(C#N)cc4)[C@H]3C2)C1 1565552290 YLXXXCUZTBLGMC-WZCBMQEHSA-N 340.423 2.457 30 40 EEEB C=CCn1c(S)nc2cc(C(=O)N(C)CC3CC3)ccc2c1=O 47919586 MLARWYSLYVPKCV-UHFFFAOYSA-N 329.425 2.353 30 40 EEEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2ccoc2C)cc1 69560565 NRQBHDOAJNRHLS-UHFFFAOYSA-N 334.397 2.446 30 40 EEEB C[S@](=O)c1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1 80070273 QNXYLCNNTYPCCH-HSZRJFAPSA-N 327.409 2.295 30 40 EEEB COC[C@@H](C#N)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 95987091 RENCYUNHGNMIHW-GFCCVEGCSA-N 329.404 2.404 30 40 EEEB CC(C)NC(=O)N1CC[C@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1 96238867 RXAYUETVDMOOQE-SFHVURJKSA-N 326.400 2.105 30 40 EEEB C=C(C)CN(Cc1ccccc1)C(=O)c1coc(S(=O)(=O)NC)c1 390833270 FLAILVAQWLFNDU-UHFFFAOYSA-N 348.424 2.406 30 40 EEEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc([N+](=O)[O-])cc1 14607491 AIXHLSYXEHXIBR-BJOHPYRUSA-N 325.328 2.454 30 40 EEEB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(c2nccc(C#N)n2)C3)n1 1888863520 KIPUUJDFKRDJHU-KSSFIOAISA-N 336.399 2.132 30 40 EEEB O=C(NOC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(OC(F)F)cc1 195963 DBDOVWUZIZPUIX-UHFFFAOYSA-N 342.210 2.291 30 40 EEEB NS(=O)(=O)c1ccc(N/N=C/C(Cl)=C/c2ccccc2)nc1 46098055 FGKYDARKQVSXCW-VQLDENSZSA-N 336.804 2.407 30 40 EEEB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)COc1ccccc1C#N 102167905 WCIVOLDYSFAQFS-IJEWVQPXSA-N 344.411 2.421 30 40 EEEB Cc1cnn(C[C@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)c1 69453150 GOCGMBQHKLTDIO-LJQANCHMSA-N 340.427 2.233 30 40 EEEB Cc1ccc(NC2CCN(C(=O)c3sccc3C#N)CC2)nn1 69895778 VYSXZSHJBBAKPM-UHFFFAOYSA-N 327.413 2.435 30 40 EEEB Cc1noc(C)c1/C=C/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 7652956 GMXDECKRCCZPLS-MDZDMXLPSA-N 334.397 2.438 30 40 EEEB CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1COc2ccccc21 97053872 IPRFBKNYNGTWPY-UGSOOPFHSA-N 330.384 2.498 30 40 EEEB N#CCNC(=O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 95394187 QBLPMKYLISDXBS-CQSZACIVSA-N 336.233 2.096 30 40 EEEB Cc1ccc(C)c(OCCCn2c(=O)c(C#N)cn(C3CC3)c2=O)c1 29750537 NQNUEVMVCIXOJG-UHFFFAOYSA-N 339.395 2.303 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 73232203 LOFLBDWBXSHFBA-SFHVURJKSA-N 328.460 2.054 30 40 EEEB C[C@@H](C#N)CN(C)CCS(=O)(=O)c1ccc(Br)cc1 49001143 DHCHHIGUXVMMLZ-NSHDSACASA-N 345.262 2.314 30 40 EEEB N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1C(F)(F)F 96483447 FKWYEBYDXXFEQZ-OLZOCXBDSA-N 348.346 2.159 30 40 EEEB C=CCS(=O)(=O)N1[C@H](COc2cccc(OC)c2)[C@H]2CC[C@@H]1C2 12085287 GDFMOYYTKCYUAD-JJRVBVJISA-N 337.441 2.443 30 40 EEEB C/N=C1/S[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)C(=O)N1C 3539423 YHPCNSRPOXPFKO-QPQCVSCISA-N 341.820 2.237 30 40 EEEB COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@@H]3N(C(C)=O)CC2 225570 QHDTTYCECGBECX-HNNXBMFYSA-N 339.391 2.486 30 40 EEEB biogenic CCn1ccnc1CN1CCCN(C(=O)C2(C#N)CCCCC2)CC1 69655931 HAOVFKFARDZIQU-UHFFFAOYSA-N 343.475 2.411 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@H](O)c3cc(F)ccc3F)CC2)c1 51877489 ZKKHNSPXTIQENP-KRWDZBQOSA-N 344.365 2.087 30 40 EEEB C#CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12532650 JLFHBSYGWCVNFY-UHFFFAOYSA-N 342.420 2.467 30 40 EEEB Cc1ccc(-c2noc(CCC(=O)/N=C3/NCCS3)n2)cc1F 57398395 LPCQBPINFLYMCE-UHFFFAOYSA-N 334.376 2.336 30 40 EEEB C=CCN1COc2c(cc3c(C)c(CC(=O)OC)c(=O)oc3c2C)C1 61969224 UOZOCHOIXBPQCR-UHFFFAOYSA-N 343.379 2.463 30 40 EEEB C=CCCC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 65625840 WFGYAFDJIDTSKB-UHFFFAOYSA-N 348.443 2.323 30 40 EEEB COc1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)nc2)cc1F 65606758 VYBAWWLFKHLBHU-DUXPYHPUSA-N 343.358 2.357 30 40 EEEB N#Cc1ccc(OCC(=O)Nc2ccccc2SCC(N)=O)cc1 5406982 FNWIBWUMYVYVDW-UHFFFAOYSA-N 341.392 2.153 30 40 EEEB COc1cc2ncc(C#N)c(N3CCC(C(=O)O)CC3)c2cc1OC 71289319 ZMOSNAOYXJLIBV-UHFFFAOYSA-N 341.367 2.425 30 40 EEEB C[C@H](NC1CCN(C(=O)c2cnccn2)CC1)c1cccc(C#N)c1 97034710 LFLMNKXHDXJYII-AWEZNQCLSA-N 335.411 2.304 30 40 EEEB CN(C)C(=O)[C@@H]1CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 79016523 HWWFRPULFAKTJG-HNNXBMFYSA-N 339.355 2.072 30 40 EEEB CC(C)(C)n1cc(C#N)cc1NC(=O)Cn1cnc2ccccc2c1=O 77380019 FNBQJKKBVARQHV-UHFFFAOYSA-N 349.394 2.463 30 40 EEEB N#CC1CCC(CNC(=O)Nc2cnn(-c3ncccn3)c2)CC1 331489497 AOSVXONEBRORBS-UHFFFAOYSA-N 325.376 2.114 30 40 EEEB Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccccc1CC#N 585115084 LXHGXCKSQVYHGZ-NSHDSACASA-N 333.413 2.267 30 40 EEEB Cc1c(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)cnn1CCC#N 585130730 AMFIUWKOGYCEJK-LJQANCHMSA-N 338.411 2.493 30 40 EEEB COCC[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)c1cccnc1 1616040238 AOOSWGFDOBLXRB-INIZCTEOSA-N 345.424 2.318 30 40 EEEB CCN(CC)C[C@H]1CN(C(=O)c2cccc(C#N)c2)Cc2ccnn21 575406443 PLGAVMDDUNSLEI-SFHVURJKSA-N 337.427 2.294 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)CC[C@@H]3CCCO3)CC2)c(F)c1 69321782 AXXODZQWLWHFHG-HNNXBMFYSA-N 331.391 2.305 30 40 EEEB CC/N=C1\S[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1CC 13151271 ORCGPFDYBFATGA-VLUKHXRESA-N 349.412 2.084 30 40 EEEB C[C@@]1(c2ccco2)NC(=O)N(CCCOc2ccc(C#N)cc2)C1=O 40525186 PVZBLTGEDVSPEJ-SFHVURJKSA-N 339.351 2.387 30 40 EEEB CN(C(=O)CSc1ncnc2c1cnn2C)C1(C#N)CCCCC1 11682691 YMRBGWUFZVLDKD-UHFFFAOYSA-N 344.444 2.140 30 40 EEEB NS(=O)(=O)c1ccc(N/N=C(/c2ccc(F)cc2)C2CC2)nc1 46098883 UKCXFWLXEWIEAZ-HMMYKYKNSA-N 334.376 2.094 30 40 EEEB O=C1C(=O)N(CCO)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102802536 MAOKUODNNLWWLE-UYTDBDHRSA-N 341.338 2.240 30 40 EEEB CC(C)NC(=O)[C@H](C#N)C(=O)c1ccn(-c2cccc(Cl)c2)n1 103590676 LXCXWHDDJLRCOM-CYBMUJFWSA-N 330.775 2.373 30 40 EEEB C/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc(-n2ccnc2)cc1 20932866 LBCSOFXWTOJBIC-RBYWHNRPSA-N 343.456 2.239 30 40 EEEB CCc1noc([C@H](C)N2CCN(Cc3cccc(C#N)c3)CC2)n1 69421324 FCJHQHHFJKKWPE-AWEZNQCLSA-N 325.416 2.382 30 40 EEEB Cc1ccc2c(c1)/C(=N/NC(=S)Nc1cccc(O)c1)C(=O)N2 17121722 CYASQAHIWVEYTA-UHFFFAOYSA-N 326.381 2.343 30 40 EEEB COc1cccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1O 39489275 LJDPXXIZDNVKLS-LBPRGKRZSA-N 346.383 2.289 30 40 EEEB C[C@H](CC#N)NC(=O)c1cc(Br)c2c(c1)OCCO2 69842063 TZQLLUCXABKYFM-MRVPVSSYSA-N 325.162 2.252 30 40 EEEB Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21 6809469 UNYYFQXKBWMVNK-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1C#N 71890137 IGHOQIQFDFPORA-GFCCVEGCSA-N 344.415 2.343 30 40 EEEB C[C@H]1CN(CCC2CCN(c3nccnc3C#N)CC2)C[C@H](C)O1 79021928 NYJBLBVGVSHMQH-GJZGRUSLSA-N 329.448 2.064 30 40 EEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccc[nH]4)C3)CC2=O)cc1 96077454 NVTXQIDZCYXFRI-IBGZPJMESA-N 334.379 2.156 30 40 EEEB N#Cc1ccc(N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)nc1 96224507 RNJFQPBJVJDINF-LJQANCHMSA-N 333.395 2.372 30 40 EEEB C#Cc1ccc(C(=O)N2CCC(c3ocnc3C(=O)OC)CC2)cc1 1615615372 PQMPFMKHRNAXIT-UHFFFAOYSA-N 338.363 2.462 30 40 EEEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 558345 QSBKMBXXLZARQA-UHFFFAOYSA-N 325.349 2.414 30 40 EEEB N#Cc1cccc(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 21624724 ZVASGMTXMXZEPR-ZDUSSCGKSA-N 349.437 2.211 30 40 EEEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O 51316046 WBQBRELMYIOBJD-UHFFFAOYSA-N 349.390 2.296 30 40 EEEB N#Cc1ncn(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n1 25002890 NOJHEVRWIVYHBH-QGZVFWFLSA-N 331.379 2.250 30 40 EEEB C=CCc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(OC)c1O 4694960 QRVNUGBXDUSQEP-UPJOTNOKSA-N 342.380 2.378 30 40 EEEB O/C(=N\c1nncs1)NC1(C(F)(F)F)Oc2ccccc2O1 27757798 QNSXVEMPHRJNBL-UHFFFAOYSA-N 332.263 2.361 30 40 EEEB CC[C@@H](CNC(=O)C1(C#N)CCCC1)NC(=O)C1(C#N)CCCC1 78911562 WZXCRQRJNPMSDX-AWEZNQCLSA-N 330.432 2.165 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CC(=O)O)[C@H]1c1ccc(Cl)cc1Cl 36619639 MCSANQYMXNDFPX-LBPRGKRZSA-N 344.150 2.362 30 40 EEEB N#Cc1ccc(F)c(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 96441681 RACSIXJBTKOLKG-KRWDZBQOSA-N 345.418 2.301 30 40 EEEB CN(Cc1ccncc1)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 58065815 RRGNPTNNMYRRQM-UHFFFAOYSA-N 347.382 2.385 30 40 EEEB Cc1cccc(OCC(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)c1 238961229 YMEIZRKLQIHKIT-KRWDZBQOSA-N 337.379 2.320 30 40 EEEB COCCNC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 2707498 LGUIHZSWDZEVEN-CQSZACIVSA-N 326.396 2.033 30 40 EEEB C=C(C)Cn1c(SCCC(C)C)nc2c1c(=O)n(C)c(=O)n2C 380567 QONNSARBPVWWTR-UHFFFAOYSA-N 336.461 2.148 30 40 EEEB CC(=O)N1CCc2cc(NC(=O)COc3ccc(C#N)cc3)ccc21 12868887 HPXAJTMTWPJGJT-UHFFFAOYSA-N 335.363 2.485 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 15248084 ZOBCXWRKOXAEFW-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@](C)(C#N)C2CC2)cc1 9515529 DHNCWTGEJWXRGY-KRWDZBQOSA-N 349.456 2.139 30 40 EEEB CC(C)(C)c1ccc(S(=O)(=O)CCn2cnc(C#N)c2C#N)cc1 97037614 VAVMFPTUCLWDHB-UHFFFAOYSA-N 342.424 2.398 30 40 EEEB Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1ccc(C#N)cn1 76068411 AYEQZTVCLFYCCI-UHFFFAOYSA-N 333.417 2.322 30 40 EEEB CN(C)[C@H](CNc1ncnc2c1cnn2CCC#N)c1ccccc1 97199975 MQWLVLFJJNTMLB-MRXNPFEDSA-N 335.415 2.455 30 40 EEEB C[C@@H](NC[C@@H]1CCCn2ccnc21)C(=O)NC1(C#N)CCCCC1 89448598 FRFPIHRDEQHXIL-CABCVRRESA-N 329.448 2.081 30 40 EEEB C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 409123526 CKNNXTDZRLEBHC-RVDMUPIBSA-N 338.323 2.464 30 40 EEEB COCCN(C(=O)c1cccc(-n2cccn2)n1)c1ccc(C#N)cc1 96425377 ASXLHYAXPFDIQM-UHFFFAOYSA-N 347.378 2.432 30 40 EEEB N#CC1(CS(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 96006778 HTPMNTYIJHJOBF-UHFFFAOYSA-N 339.848 2.096 30 40 EEEB C#CCCCC(=O)N[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 585079428 DMXQYGIUWWFCRT-FQEVSTJZSA-N 342.439 2.114 30 40 EEEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1N1CCCN([C@H]2/C(=N/O)[C@H]3CC[C@H]2C3)CC1 257345268 HMXVULFBSXELKF-LHGMKTIVSA-N 346.475 2.252 30 40 EEEB N#Cc1cccc(C(=O)N2C[C@@H]3OC[C@H](CCOCC4CC4)[C@@H]3C2)c1 575402830 CNRQLAPZYYUHSR-FHWLQOOXSA-N 340.423 2.462 30 40 EEEB N#Cc1cccnc1N1C[C@H]2CN(c3ncnc4c3CCCC4)C[C@H]2C1 2086954099 ORJQVNUXAFMALA-IYBDPMFKSA-N 346.438 2.195 30 40 EEEB C#CCN1CCC(C(=O)NCCNc2nc3ccccc3s2)CC1 50029211 PCPNGDZCYYDKOQ-UHFFFAOYSA-N 342.468 2.170 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(O)/C=C/SC)c([N+](=O)[O-])c1 83937256 GNYLLAXIGDDVBS-AATRIKPKSA-N 332.359 2.125 30 40 EEEB CCS[C@@H]1C(C(=O)c2ccc(F)cc2)=C(CC(=O)O)C(=O)N1C 62716273 NNFHFIPXOGNGMX-MRXNPFEDSA-N 337.372 2.331 30 40 EEEB Cc1c(CNC2CCN(C(=O)c3ccco3)CC2)cc(C#N)n1C 48310715 FDGAQGMQDGWSEM-UHFFFAOYSA-N 326.400 2.193 30 40 EEEB CS(=O)(=O)/N=C(\O)Cc1csc(Cc2ccc(F)cc2)n1 65484557 XFSOCCPRTCIGBK-UHFFFAOYSA-N 328.390 2.332 30 40 EEEB CN(CCCOc1cccc(C#N)c1)[C@H]1CCC[C@@H]1S(C)(=O)=O 89346060 XQDHYEPOMMCCJQ-IRXDYDNUSA-N 336.457 2.225 30 40 EEEB COc1cc(C)sc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 71103809 JPNVHQFELYJBTR-UHFFFAOYSA-N 342.424 2.294 30 40 EEEB Cc1ncc(/C(O)=N/S(=O)(=O)N2CCc3sccc3C2)s1 78556619 SXCCHAXKNNREQC-UHFFFAOYSA-N 343.455 2.121 30 40 EEEB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc(C#N)c1 245316817 KQEZDHFIEFWULQ-SOMFZHDCSA-N 338.407 2.366 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COc2ccccc2C#N)C1 78879422 ZMMXFHUBXXJDRL-CQSZACIVSA-N 345.399 2.063 30 40 EEEB C=CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16138365 XPEVXXMHFHHTDR-UHFFFAOYSA-N 336.457 2.312 30 40 EEEB Cc1ccc(C#N)c(N2CCC(Oc3ccn4nccc4n3)CC2)n1 2298212774 KKKGHSIXVUEAIL-UHFFFAOYSA-N 334.383 2.352 30 40 EEEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)n1 6648643 RRWVLNZPGYLJDQ-GFCCVEGCSA-N 345.336 2.393 30 40 EEEB C#CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 65565850 SEAYJVUOZHZRLS-UHFFFAOYSA-N 325.817 2.176 30 40 EEEB N#Cc1cccnc1NCCNC(=O)N[C@H]1CCc2ccc(F)cc21 65621523 RCLTVAGNDQSXAD-INIZCTEOSA-N 339.374 2.491 30 40 EEEB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1/C=N/c1ccccc1O 4738537 BCFHLBZCBZFOGQ-DKSCHZSNSA-N 341.298 2.133 30 40 EEEB C#CCOc1ccc(F)cc1NC(=O)c1ccnc(-n2cncn2)c1 96423524 FEXFBXZCWFDACT-UHFFFAOYSA-N 337.314 2.066 30 40 EEEB Cc1cnn(CCN[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 71872104 HFHNWNJDHRVPNP-GFCCVEGCSA-N 343.456 2.230 30 40 EEEB CC/N=C(/NCCc1cn2c(n1)CCCC2)N1CCC(OCC)CC1 83867541 GEJNFJNUETXZAO-UHFFFAOYSA-N 347.507 2.228 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1/C=N/[C@@H]1C[C@H]2CC[C@H]1C2 408528296 VRTYOBJYXKFUQX-BFDPLHIPSA-N 343.427 2.129 30 40 EEEB C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)O 504320727 XNZSRYSTBKQWGZ-KJSSNBPFSA-N 348.439 2.305 30 40 EEEB O=[N+]([O-])c1ccc(/N=C(\O)c2cc(N3CCOCC3)ccn2)cc1 31671513 KYILFHLPMMIREW-UHFFFAOYSA-N 328.328 2.463 30 40 EEEB C1CCC(N/C(=N/C[C@@H]2CCCO2)NCc2nc(C3CC3)no2)C1 73468177 SNSKCVHYKFWWTG-AWEZNQCLSA-N 333.436 2.104 30 40 EEEB C#CCOc1ccc(C(=O)N2CCC(N3CCCOCC3)CC2)cc1 585087915 BDWSRONVIPZKJN-UHFFFAOYSA-N 342.439 2.026 30 40 EEEB Cc1cc(C)c(S(=O)(=O)N(C)C(=O)c2cc(C#N)cn2C)c(C)c1 102687498 LQKBLFRPZBBOAM-UHFFFAOYSA-N 345.424 2.283 30 40 EEEB CC[C@@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 42844038 OZLBTHZVJVFROM-CYBMUJFWSA-N 340.431 2.356 30 40 EEEB CC/N=C1/S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CC 100918851 IAJLMWPTQPYUOT-PHODEOQFSA-N 335.429 2.364 30 40 EEEB N#Cc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(F)c1 14153265 WGLOKPORXMDSCC-UHFFFAOYSA-N 339.248 2.025 30 40 EEEB C/N=C(/NCc1ncnn1C)NCC(C)(C)Cc1cccc(Cl)c1 97021932 YGTBBHQOZNYUKN-UHFFFAOYSA-N 348.882 2.402 30 40 EEEB CN(CCOc1cccc(C#N)c1)C(=O)c1ccc(-n2ccnn2)cc1 95444845 ICEYLMCYKODIHC-UHFFFAOYSA-N 347.378 2.290 30 40 EEEB C[C@@H](O)[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 582772624 RSGOHDJIMSXSCG-FZKQIMNGSA-N 340.427 2.070 30 40 EEEB C=CCN1C[C@@H]2CN(Cc3nccs3)CCC[C@]2(C(=O)OCC)C1 96055973 CRARUJZNIPFDSC-YJBOKZPZSA-N 349.500 2.406 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)N4CCCC4)C3)CC2=O)cc1 96238832 CXQHOULWVLFIRZ-LJQANCHMSA-N 338.411 2.203 30 40 EEEB C[C@@H]1Cc2cc(S(=O)(=O)N(CC#N)c3ccccn3)ccc2O1 585129856 ZPKRLHQHILTKDE-GFCCVEGCSA-N 329.381 2.124 30 40 EEEB Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C#N)C2)cc1C(=O)O 903883196 FJUPPGPHBBOBAT-SNVBAGLBSA-N 342.804 2.271 30 40 EEEB Cc1cc([C@](C)(O)CNC(=O)NCc2cccc(C#N)c2)c(C)o1 76085491 NGGOZYFEIOVNDQ-GOSISDBHSA-N 327.384 2.475 30 40 EEEB COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 6214144 FEJHOXZLXWLKGF-MHWRWJLKSA-N 349.368 2.224 30 40 EEEB COc1ccc(OCCSCC(=O)N(CCC#N)CCC#N)cc1 50250107 NMQLDGPFPQJJJF-UHFFFAOYSA-N 347.440 2.463 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)CCc3ccsc3)CC2)c1 44907079 PKGVRTCYABRROL-UHFFFAOYSA-N 326.425 2.296 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1 3329777 JMVPOUOELRPFRA-UHFFFAOYSA-N 343.408 2.196 30 40 EEEB CS(=O)(=O)c1cccc(C(=O)N(CCC#N)Cc2ccco2)c1 71186098 VGXIOBSPJIIKIP-UHFFFAOYSA-N 332.381 2.239 30 40 EEEB C[C@@H]1C[C@@H](OC[C@H](S)CN2CCN(CO)CC2)CC(C)(C)C1 22872268 ICRJMXAQCCNBSP-BZUAXINKSA-N 330.538 2.084 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c(F)c1 523528407 ZMDQAHYWZSAUOZ-UHFFFAOYSA-N 338.291 2.335 30 40 EEEB Cc1noc([C@H](C)/N=C(/O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 328884768 MZZKLFAUGWTCGL-GLQYFDAESA-N 329.404 2.388 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)cc1 230167622 ZAFZRSBLVUPHSV-RDJZCZTQSA-N 334.441 2.262 30 40 EEEB N#Cc1cccnc1N1C[C@H]2CN(c3ncnc4c3CCCC4)C[C@@H]2C1 2086954097 ORJQVNUXAFMALA-HOTGVXAUSA-N 346.438 2.195 30 40 EEEB C[C@@H]1CN(c2ncc(C#N)cc2Cl)CCN1Cc1cnn(C)c1 2298029623 MHWOZIGPYIQTIY-GFCCVEGCSA-N 330.823 2.051 30 40 EEEB 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EEEB C=C(C)CN1CCC(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 106034158 PXDQCWOLCSGMAZ-INIZCTEOSA-N 349.519 2.428 30 40 EEEB Cc1noc(C)c1C(=O)OCC(=O)N(CCC#N)c1ccccc1 3420696 SOZWYPGZDCSXPV-UHFFFAOYSA-N 327.340 2.395 30 40 EEEB N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1 48976550 CEMZFLUAOPZVGB-GJZGRUSLSA-N 334.803 2.277 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccccc1 65516874 WNDFLPGRYVQLKZ-FUHWJXTLSA-N 335.407 2.468 30 40 EEEB O=C1O[C@@]2(C(=O)Nc3ccccc32)C(C(=O)c2ccc(F)cc2)=C1O 66087575 NIWQWHOYMFCQAV-GOSISDBHSA-N 339.278 2.225 30 40 EEEB CN(C(=O)CN1CCC[C@H]1c1cnn(C)c1)C1(C#N)CCCCC1 69968241 YCSCXWNWQYLSGS-INIZCTEOSA-N 329.448 2.242 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(S(C)(=O)=O)cc1 71851047 GPXAJEKBGKLQGV-OAHLLOKOSA-N 340.470 2.237 30 40 EEEB C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@H](O)c1ccc(F)cc1 95433090 WPBUBCUURJIZMB-SJCJKPOMSA-N 348.399 2.239 30 40 EEEB Cc1ccc(CNC(=O)c2cc(C#N)c[nH]2)c(O[C@@H]2CCOC2)c1 95412265 DMJIFOYNXRUMOO-OAHLLOKOSA-N 325.368 2.293 30 40 EEEB C#CCCOc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)cc1 95453791 ZYJLIBRBUYRWFM-UHFFFAOYSA-N 349.434 2.442 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N\Cc3ccccc3)C2=O)c1 408526510 CMOMWYWFPLAKST-SDLDRHLBSA-N 335.363 2.465 30 40 EEEB C[C@@H]1CN([C@H]2/C(=N/O)[C@H]3CC[C@H]2C3)CCN1[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345285 NVGJHFALHAUOTL-BZABBRPSSA-N 346.475 2.250 30 40 EEEB C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N/c1cccc([N+](=O)[O-])c1 96901455 KVXIMPKBNBVMNR-AKCBPTIMSA-N 335.341 2.187 30 40 EEEB Cc1ccccc1S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@H]1CCCO1 69282359 JFTIEHKUWKRGMK-CHWSQXEVSA-N 327.402 2.224 30 40 EEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 4305338 SJTWWZJWUQMHCH-UIIHFFCLSA-N 340.379 2.235 30 40 EEEB CC1(CO)COC(C(C)(C)C2=CC(=O)c3ccccc3C2=O)OC1 8816140 RFFDGRYUXYVYMV-UHFFFAOYSA-N 330.380 2.390 30 40 EEEB CCOC(=O)/C(=N\O)C1=NC(C)(C)Cc2cc(OC)c(OC)cc21 73924 RHUWZHLNFKEDCQ-CYVLTUHYSA-N 334.372 2.221 30 40 EEEB CCCN(CC1CC1)c1nc(N)c2c(N)nc(OC)cc2c1C#N 25720008 QTJLJMNEZPZJLU-UHFFFAOYSA-N 326.404 2.301 30 40 EEEB COc1ccc(/C(O)=N/S(=O)(=O)c2c(C)noc2C)c(OC)c1 48490121 ZBILWLXMIZPXFA-UHFFFAOYSA-N 340.357 2.002 30 40 EEEB Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)o1 4310988 JECOAYQDJMYPGF-DPEHCCBOSA-N 344.367 2.164 30 40 EEEB Cc1cc(C)n(C2CN(CCC(=O)Nc3sccc3C#N)C2)n1 69510995 LRKWPBTWNBREIE-UHFFFAOYSA-N 329.429 2.319 30 40 EEEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc2cn[nH]c2c1 6400123 COEPYUKCKUXQEE-UHFFFAOYSA-N 330.351 2.156 30 40 EEEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2c(C)noc2C)cc1 69570886 LWNLLCCAVHVOLD-UHFFFAOYSA-N 349.412 2.149 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 96428423 ANLZHWQCNFRZET-LBPRGKRZSA-N 346.456 2.127 30 40 EEEB N#C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccccc1F 96445267 FODBFOLMGNETOE-INIZCTEOSA-N 339.374 2.213 30 40 EEEB CCn1cc(S(=O)(=O)N[C@@](C)(C#N)CCc2ccccc2)cn1 96484830 PHUKVOPHCZATTI-MRXNPFEDSA-N 332.429 2.096 30 40 EEEB C=CCOc1ccccc1CNC(=O)NCC(=O)N1CCCCC1 71897629 OYGIBOASMRUXDQ-UHFFFAOYSA-N 331.416 2.063 30 40 EEEB N#C[C@H]1CN(C(=O)COC2CCCC2)CCN1Cc1ccccc1 72284714 SOLOTKJNTFOIKN-KRWDZBQOSA-N 327.428 2.182 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N[C@@H]1CCCN(c2ccccc2)C1 88964168 XNTZUPMHZOVIAO-OAHLLOKOSA-N 342.447 2.102 30 40 EEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225636809 QZSAYYAREXRYAD-SQNIBIBYSA-N 343.404 2.137 30 40 EEEB N#Cc1ccc(C(F)(F)F)c(N2CC[C@H](N3CCOCC3)C2)c1 97096933 WERMPKGDYICIBU-ZDUSSCGKSA-N 325.334 2.488 30 40 EEEB COc1ccc(Br)cc1CCC(=O)N(CC#N)CC#N 96416956 ZRGCHVLGNJWIEU-UHFFFAOYSA-N 336.189 2.266 30 40 EEEB Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C 598319676 MSCCPELBUWUYSZ-MAUKXSAKSA-N 338.411 2.498 30 40 EEEB N#Cc1ccc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2087132254 FAJYXOYWPNDRMQ-INIZCTEOSA-N 349.381 2.017 30 40 EEEB C=CCN1CCOC[C@@]2(C1)CN(Cc1ccc(F)c(F)c1)CCO2 2055816090 XJHSXLGVUPBEDP-GOSISDBHSA-N 338.398 2.054 30 40 EEEB CS/C(=N/S(=O)(=O)c1cccs1)NCc1cccnc1 6146477 VDXIPSGNYLGPLX-UHFFFAOYSA-N 327.456 2.341 30 40 EEEB N#CCN(C(=O)c1ccc(Cn2cc(Br)cn2)o1)C1CC1 65588725 RDXAIRLZMAEUNX-UHFFFAOYSA-N 349.188 2.415 30 40 EEEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cs1 14253103 CTIOXRBXSIEBDN-SECBINFHSA-N 336.373 2.221 30 40 EEEB C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1 8750561 VEKDPWZWORMZDC-UHFFFAOYSA-N 348.399 2.220 30 40 EEEB COc1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 7015366 FUQIRSQYQJKZCS-QGZVFWFLSA-N 326.396 2.439 30 40 EEEB CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)c2ncccc2C#N)C1 97085626 UICUBQQHRHZKST-DZGCQCFKSA-N 328.416 2.201 30 40 EEEB COc1cccc(N2CC[C@@H](CN/C(=N\C3CC3)NC3CC3)C2)c1 75583439 GHKSYKASNKTYFG-AWEZNQCLSA-N 328.460 2.382 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2C[C@@]2(C=O)NC(=O)OC(C)(C)C)cc1 217993870 GBEZNWARGBEOAS-CJNGLKHVSA-N 339.413 2.003 30 40 EEEB C[C@H](CC#N)NC(=O)COc1cccc(I)c1 194473435 GBBREGMNENYNPM-SECBINFHSA-N 344.152 2.088 30 40 EEEB C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 96428224 OOVKCGHONIAULK-FZMZJTMJSA-N 341.864 2.172 30 40 EEEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@H]31 169332204 KCZFLFYOLLDLKV-XNVVPVCPSA-N 343.364 2.043 30 40 EEEB CN(C)c1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N 12421177 NDKMZRYITVTHLR-UHFFFAOYSA-N 346.412 2.064 30 40 EEEB COc1ccccc1CCN1CC(=O)C(c2nc(C)cs2)=C1N 13689965 IFRFSBVLQMIXBU-UHFFFAOYSA-N 329.425 2.215 30 40 EEEB NC(N)=NS(=O)(=O)c1ccc(/N=C/c2ccccc2Cl)cc1 20265450 VMCGGDVMDAVZGD-GIJQJNRQSA-N 336.804 2.053 30 40 EEEB O=C1C=CC(=NOS(=O)(=O)c2ccc(Br)cc2)C=C1 3106727 XUMFSRQOIAUJDX-UHFFFAOYSA-N 342.170 2.206 30 40 EEEB CCN1C(=O)/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc21 100192669 YKTNIAVOZDRKQC-VLGSPTGOSA-N 343.408 2.044 30 40 EEEB COc1ccc(CN/N=C/c2ccc(OCC(=O)O)cc2)cc1OC 20195732 IRGUMPUIAWTKCZ-VXLYETTFSA-N 344.367 2.291 30 40 EEEB O=S(=O)(/N=C(\O)COc1ccc2c(c1)CCC2)C1CCOCC1 58180957 AXNDXONNFOYAIE-UHFFFAOYSA-N 339.413 2.019 30 40 EEEB Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n(CCC#N)n1 58316265 FNPBZJGGLOXYDE-CQSZACIVSA-N 345.447 2.328 30 40 EEEB N#Cc1cnc(SCc2nnc(-c3cccc(F)c3)o2)nc1N 78876784 WCNZMHPDSGCEDZ-UHFFFAOYSA-N 328.332 2.412 30 40 EEEB C/N=C(/NCc1ncccc1C)N1CCC(OC[C@H]2CCCO2)CC1 86128147 CGOMGMYLAUCDJZ-QGZVFWFLSA-N 346.475 2.125 30 40 EEEB C=C(Cl)CS(=O)(=O)NCc1ccn(-c2ccc(OC)cc2)n1 195578764 IWKSESDEHYUWOG-UHFFFAOYSA-N 341.820 2.053 30 40 EEEB C=CCN1C(=O)COC2(CCN(C(=O)Cc3ccsc3)CC2)[C@@H]1C 96201553 BQRVFMLTRUPQQM-AWEZNQCLSA-N 348.468 2.085 30 40 EEEB N#CCN1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)c1ccccc12 96080257 IOWVAPRWXUIDRK-INIZCTEOSA-N 339.439 2.459 30 40 EEEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C#N)cc1 242548023 KZDUVAMHEDGNLN-KURKYZTESA-N 326.421 2.464 30 40 EEEB C=C(Br)CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1 49301951 AIBQFPYXYLOQCJ-UHFFFAOYSA-N 335.560 2.442 30 40 EEEB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 12759354 CKVRMNRJTYGEBT-CJNGLKHVSA-N 349.456 2.187 30 40 EEEB COc1ccccc1NC(=S)N/N=C1\C(=O)Nc2ccccc21 6424812 VDPYEPNVGRCIOQ-UHFFFAOYSA-N 326.381 2.338 30 40 EEEB N#Cc1cccnc1NCCNC(=O)c1cc(Cl)c2c(c1)OCO2 47253165 LSHSJZXVIBXEKH-UHFFFAOYSA-N 344.758 2.177 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 6308061 WUQJSILQSFLEMY-CYBMUJFWSA-N 333.369 2.117 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 65539013 ZODINPMXJURKOG-VQIMIIECSA-N 342.464 2.411 30 40 EEEB COc1cccc(-n2c(N)c(C#N)c3c(c2=O)COC(C)(C)C3)c1 6759858 ADQFZBZQVPQBKB-UHFFFAOYSA-N 325.368 2.151 30 40 EEEB C=CCN1C(=O)c2cccn2[C@H]2CN(C(=O)Cc3ccccc3C)C[C@H]21 306138769 SGTYTYHLJAMASW-RBUKOAKNSA-N 349.434 2.433 30 40 EEEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cnn(C)c2)cc1 78556426 UUVKEDRKTZBQTP-HUUCEWRRSA-N 349.412 2.268 30 40 EEEB N#Cc1cccc(NC(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)c1 75164008 UVPNWOPLEPSLBT-QGZVFWFLSA-N 333.351 2.136 30 40 EEEB Cn1ccnc1Cn1c(C#N)cc(N)c1Oc1ccc2c(c1)OCO2 225886311 DMVPLBYLZJWLEQ-UHFFFAOYSA-N 337.339 2.245 30 40 EEEB C/N=C(/NCc1noc(C)n1)N(C)CCOc1ccc(Cl)cc1 97227575 JRZHKTCXPBJRNR-UHFFFAOYSA-N 337.811 2.118 30 40 EEEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)c1ccc(Br)o1 96404476 ISRDNRAFOHNYAK-UHFFFAOYSA-N 349.162 2.340 30 40 EEEB C=CCNC(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1Cl 257213597 CIGFPJLDEMWBJZ-CJNGLKHVSA-N 336.819 2.178 30 40 EEEB N#Cc1ccc(OCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 58290752 UVPRKVLRJVINFY-UHFFFAOYSA-N 332.363 2.439 30 40 EEEB Cc1occc1C(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1 56512618 JINUCQUBRDFVLX-UHFFFAOYSA-N 339.395 2.297 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1 7726670 MTNBFALFJAYOKW-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB N/C(=N/Cc1nccn1CCCc1ccccc1)N1CCSCC1 81525321 BGPSQAWPIHHWED-UHFFFAOYSA-N 343.500 2.379 30 40 EEEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)CC)cc1 48548670 YRCILAXMNRFSKQ-GFCCVEGCSA-N 325.434 2.413 30 40 EEEB COC(=O)c1ccc(C)c(Nc2nc(N)nc(SC)c2C#N)c1 34634349 DBMARSJTWIXFID-UHFFFAOYSA-N 329.385 2.491 30 40 EEEB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)cc1 583622019 YDZMXIHFNPFEFS-IEBWSBKVSA-N 339.395 2.407 30 40 EEEB Cc1nn(CN(CCC#N)C[C@@H]2CCOC2)c(C)c1Br 68619267 GIILGCPNUXZTJX-ZDUSSCGKSA-N 341.253 2.472 30 40 EEEB Cc1nn(CN(CCC#N)C[C@H]2CCOC2)c(C)c1Br 68619270 GIILGCPNUXZTJX-CYBMUJFWSA-N 341.253 2.472 30 40 EEEB COc1ccc(/C=C2/N=C(N3CCOCC3)SC2=O)cc1OC 5017389 DEEDEZQNTGVTKS-FMIVXFBMSA-N 334.397 2.006 30 40 EEEB CC(=O)N1CCc2cc(Nc3ncnc4c3cnn4CCC#N)ccc21 97199774 NTPUYBPRDPYLOA-UHFFFAOYSA-N 347.382 2.393 30 40 EEEB CCCCOc1ccc(CO/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 1785881 NWECFJNREIYCFD-VCHYOVAHSA-N 331.372 2.101 30 40 EEEB N#C[C@H](C(=O)CCc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1 48976546 CEMZFLUAOPZVGB-LSDHHAIUSA-N 334.803 2.277 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)CC1 3881891 GHIGRDADUISATB-MZZPOWALSA-N 329.396 2.156 30 40 EEEB biogenic N#CCc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)c1 69697428 WUHVYYJQSQDFIR-LJQANCHMSA-N 347.418 2.372 30 40 EEEB Cc1noc(C)c1CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 65564899 JDQKBUSQIGDJOF-UHFFFAOYSA-N 342.374 2.194 30 40 EEEB CC(=O)N[C@H](C(=O)NCCSCc1ccccc1C#N)C(C)C 7649108 BXMASYDHFDDWCE-INIZCTEOSA-N 333.457 2.068 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)NC(=O)NCc1cccs1 16685755 OBNPBMKRDPIFJK-UHFFFAOYSA-N 345.380 2.033 30 40 EEEB CC(C)(C)c1csc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1 95410292 GDVNOJFRIFPESC-UHFFFAOYSA-N 330.413 2.019 30 40 EEEB Cc1cc([C@@](C)(O)CNS(=O)(=O)c2ccc(CC#N)cc2)c(C)o1 89580380 SJAQKKJWJJGZKO-KRWDZBQOSA-N 348.424 2.149 30 40 EEEB C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)CCS1(=O)=O 192050909 HANFYMOEPFURRZ-HNNXBMFYSA-N 336.457 2.378 30 40 EEEB CC1(C)[C@H](C#N)[C@]1(C#N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 585135617 STFFUXIUFUPBMJ-KBXCAEBGSA-N 338.367 2.267 30 40 EEEB O=C(O/N=C/c1n[nH]cc1Br)c1cccnc1Cl 2577500 KWEGVNIJFFYGAP-PJQLUOCWSA-N 329.541 2.412 30 40 EEEB Cn1c2ccccc2c2nnc(N/N=C/c3ccc([N+](=O)[O-])o3)nc21 5580129 NCTNLQMCZUHCSD-LZYBPNLTSA-N 337.299 2.464 30 40 EEEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1)c1ccc(F)cc1 15919942 PLUYFFJSGJBNAP-MRXNPFEDSA-N 341.338 2.396 30 40 EEEB C=CCOc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OC 9235071 JFZVMBGEIFPVOK-FNORWQNLSA-N 345.311 2.128 30 40 EEEB C=CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 3071474 QNVGHQOHSWBAPN-UHFFFAOYSA-N 344.436 2.493 30 40 EEEB C=CCNc1ccccc1C(=O)NCCc1nc(C(=O)O)cs1 55306717 OFTRFOWULUEWFO-UHFFFAOYSA-N 331.397 2.412 30 40 EEEB CC(=O)N[C@@H](/C(O)=N/S(=O)(=O)c1ccc(C)cc1)C1CCCC1 48422073 SFKVTNLEHNCPFZ-OAHLLOKOSA-N 338.429 2.335 30 40 EEEB C=CCN(Cc1cccs1)C(=O)CN1CCc2cncnc2C1 69493562 TXMKXODMNDLXSC-UHFFFAOYSA-N 328.441 2.111 30 40 EEEB Cc1cc(-c2nnc(S)n2/N=C/c2ccc(N(C)C)cc2)[nH]n1 5625923 VMIVQSLNJYZMRF-CXUHLZMHSA-N 327.417 2.214 30 40 EEEB CN(CC1CCOCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 97048536 LQZWTWAQEUPKME-GOSISDBHSA-N 327.428 2.412 30 40 EEEB C[C@H](CS(C)(=O)=O)NC1CCC(Oc2ccccc2C#N)CC1 97033409 GGDFPDNJSDPEJZ-IUDNXUCKSA-N 336.457 2.271 30 40 EEEB Cc1ccc(C(=O)CCC(=O)CCC(=O)N(CC#N)CC#N)s1 60336185 XHXGUEGZQVRAOJ-UHFFFAOYSA-N 331.397 2.244 30 40 EEEB C=CCN(CC(=O)OCC)C(=O)Cc1c(C)nn(C(F)F)c1C 95381770 GFRNFNIKQFOLHX-UHFFFAOYSA-N 329.347 2.015 30 40 EEEB COCCn1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1=O 95990513 VAHCGGZFKIZHQR-UHFFFAOYSA-N 337.379 2.302 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C=O)[C@@H]2c2ccc3c(c2)OCO3)cc1 218175638 ILELVJOZBHFXDY-JLSDUUJJSA-N 344.388 2.479 30 40 EEEB NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 40283294 LAXDKPNQNSGMST-HNNXBMFYSA-N 326.331 2.143 30 40 EEEB Cc1ccn(Cc2cn(-c3ccc(Cl)cc3)nn2)c(=O)c1C#N 97375722 WGALLRVWXHVZCD-UHFFFAOYSA-N 325.759 2.311 30 40 EEEB C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2ccccc2F)CC1 12421456 KJIFNSITQOVFSQ-APWZRJJASA-N 334.435 2.127 30 40 EEEB COc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC 116460 DHORTVBPLYGEIF-KEBDBYFISA-N 341.367 2.245 30 40 EEEB CCn1ncc([C@@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O 570600 AFMHJYBUMLLVDU-SNVBAGLBSA-N 327.775 2.459 30 40 EEEB N#Cc1cccc(COC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 101246832 HFWSCTMYVRJBTL-QGZVFWFLSA-N 348.358 2.120 30 40 EEEB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2ccccc2C#N)CC1 4241819 XOOZIOBTTGKRJZ-HNNXBMFYSA-N 345.399 2.237 30 40 EEEB CN(C)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 32927470 BITOYBIUZHABMA-KRWDZBQOSA-N 335.473 2.347 30 40 EEEB C[C@H]1CCC[C@](C#N)(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 76066100 RSJGTVFADNZUFV-DJJJIMSYSA-N 338.411 2.486 30 40 EEEB C=CCNc1nc(C(=O)OCC(=O)N2CCc3ccccc32)cs1 3568757 TZJCWYFFQXTRSS-UHFFFAOYSA-N 343.408 2.487 30 40 EEEB Cc1cn2nc(N3CC[C@H](CNc4ccc(C#N)cn4)C3)sc2n1 65478125 NKCWZKWDWVDZET-CYBMUJFWSA-N 339.428 2.304 30 40 EEEB CCCc1nc(CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)no1 65512175 PJHITGZJUGQDPR-AWEZNQCLSA-N 326.404 2.223 30 40 EEEB C#CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)[nH]n1 72280688 BNTRTWMQRGZRJD-UHFFFAOYSA-N 334.335 2.285 30 40 EEEB Cc1cc(C(=O)OCCNc2ncccc2C#N)nn1C(C)(C)C 78985041 NXDDLXRXXBEVJF-UHFFFAOYSA-N 327.388 2.482 30 40 EEEB N#C[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242750714 ZWSWMGIBNDREMA-BBWFWOEESA-N 331.368 2.268 30 40 EEEB N#CC[C@@]1(O)CCN(C(=O)NCCCn2ccc3ccccc32)C1 591891293 OBJKSWGFQFISBA-GOSISDBHSA-N 326.400 2.091 30 40 EEEB COc1ccc2[nH]c3c(=O)n(/N=C/c4cccnc4)c(C)nc3c2c1 499596 HLJHPARZYZBAAF-KEBDBYFISA-N 333.351 2.472 30 40 EEEB Cc1cc(=O)[nH]c(SCC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N 5401593 CAMPQQTWWRSEJL-UHFFFAOYSA-N 329.337 2.438 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 32859962 YWRWZDLLEIFHSZ-AWEZNQCLSA-N 330.356 2.351 30 40 EEEB CC(C)Cn1nnnc1S[C@@H](C)C(=O)Nc1ccc(C#N)cc1 12852509 BNGHKAFJQPPVHF-NSHDSACASA-N 330.417 2.320 30 40 EEEB COc1ccc(CC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 13957765 NKVZFDLVJBOVQI-UHFFFAOYSA-N 329.312 2.010 30 40 EEEB N#Cc1ccc(NC(=O)COCC(=O)N2CCc3ccccc3C2)cc1 13943765 YKDBUQXXSPXLSG-UHFFFAOYSA-N 349.390 2.098 30 40 EEEB Cc1nc2n(c1C)CCN(CCC(=O)Nc1sccc1C#N)C2 65463283 TWNYXMBYLBULKL-UHFFFAOYSA-N 329.429 2.278 30 40 EEEB C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 71888029 YKHCVBJKUPTSPX-JTQLQIEISA-N 346.372 2.077 30 40 EEEB CC[C@@H](C)N/C(=N\C)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 75583117 DCHVJHNYHYYFCZ-KFWWJZLASA-N 333.480 2.159 30 40 EEEB N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c1 72728795 DAJQSWCIVTVWBC-SJORKVTESA-N 344.440 2.358 30 40 EEEB CCCN(CC#N)C(=O)c1nnn(-c2ccc3ncccc3c2)c1C 66827185 GMNLNVIKJQTZMN-UHFFFAOYSA-N 334.383 2.500 30 40 EEEB C#C[C@](C)(CC)NS(=O)(=O)c1cc(OC)c(Cl)cc1OC 384690 QIIISPVHZLJUBC-CQSZACIVSA-N 331.821 2.437 30 40 EEEB O=C1Oc2ccccc2C(=O)/C1=C\NC(=S)NCc1ccccc1 104300917 GADXGLYVIIMLGT-SDNWHVSQSA-N 338.388 2.337 30 40 EEEB COc1ccc(OC)c(/C=N/C(=O)c2n[nH]cc2Br)c1 103557681 OKFFZXGJIBOLQH-GIDUJCDVSA-N 338.161 2.449 30 40 EEEB CCOc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1OCC 103502675 NUGGCKIOMJGKLM-CQSZACIVSA-N 330.384 2.429 30 40 EEEB O=[N+]([O-])c1ccccc1-c1ccc(/C=N/[C@H]2CCS(=O)(=O)C2)o1 1814007 QOGIMXDROXUXQT-UJFYRASASA-N 334.353 2.461 30 40 EEEB COc1ccc2ccccc2c1/C=N/OCC(=O)N1CCOCC1 7787205 UIIYARGHHMNLIN-XDHOZWIPSA-N 328.368 2.058 30 40 EEEB C/N=C1\S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C 21850466 NVZJXSARVOWIQW-VQZCRYCJSA-N 329.784 2.367 30 40 EEEB Cc1nc(CN2CCC[C@@H](N(C)Cc3cc(C#N)ccc3F)C2)no1 71870504 WNEMWKJGQPRJEP-MRXNPFEDSA-N 343.406 2.485 30 40 EEEB CCc1cccc(N/C(N)=N/CCS(=O)(=O)c2ccccc2)c1 71847242 HVUZSHNZEZLOGE-UHFFFAOYSA-N 331.441 2.450 30 40 EEEB Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)N(C)CCC#N 9604886 IPFZAHUKENKHES-UHFFFAOYSA-N 339.395 2.309 30 40 EEEB Cc1nc(C)n([C@@H]2CCCN(C(=O)COc3ccc(C#N)cc3)C2)n1 72235192 CPOCHQCNNAPNES-MRXNPFEDSA-N 339.399 2.009 30 40 EEEB N#Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 76063613 YTLUXZYRIZMMAI-UHFFFAOYSA-N 336.351 2.315 30 40 EEEB CC(C)N1C(=O)N[C@]2(CCN([C@@H](C)c3ccc(C#N)cc3)C2)C1=O 84597292 CFYZZHAAPHJWFT-UGSOOPFHSA-N 326.400 2.024 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccccc2Cl)cc1 95433158 IANKWLWFMJBJTR-HNNXBMFYSA-N 336.800 2.224 30 40 EEEB Cc1c(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc(C#N)n1C 72079797 PEPXUARYUBPBTQ-RMKNXTFCSA-N 343.408 2.473 30 40 EEEB C=CCOC[C@@H]1CN(C(=O)C2=CCCC2)Cc2nnn(CC3CC3)c21 96045640 GFUSOJYGVQHUEZ-INIZCTEOSA-N 342.443 2.427 30 40 EEEB CN(CCc1ccccc1F)Cc1cc(O)n2ncc(C#N)c2n1 1615451493 XHHUIGVQKBYGPM-UHFFFAOYSA-N 325.347 2.120 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)CCCNC(=O)C2CC2)s1 48528658 YLXSTICCXQSQKF-UHFFFAOYSA-N 330.431 2.008 30 40 EEEB CCN(CC)c1ccc(C=Nn2c(O)nc3ccccc3c2=O)o1 409352977 XUKIHAUCRFIGKB-UHFFFAOYSA-N 326.356 2.424 30 40 EEEB N#Cc1c(CCCNC(=O)N[C@H]2CCCc3ccccc32)n[nH]c1N 65440548 WCCOEAIECQCVQP-HNNXBMFYSA-N 338.415 2.173 30 40 EEEB O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2ccsc2)c2ccccc21 18201180 DDYLNPMYXUJLLG-NSHDSACASA-N 349.371 2.290 30 40 EEEB C=CCn1c(SCc2nc(N)nc(N)n2)nnc1C1CCCCC1 7149787 XYMZKAISBUTWEM-UHFFFAOYSA-N 346.464 2.154 30 40 EEEB CN1C[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O 68457949 ZZGMXWXYWLOTGF-SKDRFNHKSA-N 326.183 2.153 30 40 EEEB N#CCc1ccc(OCC(=O)N2CCN(C3CCCC3)CC2)cc1 71828347 CENQBDDCQPRSMR-UHFFFAOYSA-N 327.428 2.218 30 40 EEEB C#Cc1cccc(NCC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1 95417940 YYHNGNARIGGIRH-UHFFFAOYSA-N 347.418 2.288 30 40 EEEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/Nc1ccc([N+](=O)[O-])cn1 408741386 PMHDGANLRVIKPR-YFEUJDIGSA-N 338.327 2.426 30 40 EEEB CC(=O)N[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C 22476610 XQYKZGXSAFDQQG-OAHLLOKOSA-N 340.345 2.334 30 40 EEEB CS(=O)(=O)O[C@H]1C[C@@H]2CC[C@H]3C[C@@H](O[C@@H]4CCCCO4)[C@H]1[C@H]23 45070828 NKITVIAMISOQED-YOBHKWJMSA-N 330.446 2.309 30 40 EEEB CC[C@@H](C#N)S(=O)(=O)NCC1(c2ccc(C)cc2)CCOCC1 95439679 TVGHAXNEYWEPKN-INIZCTEOSA-N 336.457 2.265 30 40 EEEB C=CCCC(=O)N(CCN1CCCS1(=O)=O)c1cccc(F)c1 583650520 YELYHKXKCIRWJX-UHFFFAOYSA-N 340.420 2.160 30 40 EEEB CC[S@@+](C)CC[S@+](C)CC[S@@+](C)CC[S@@+](C)CC 247647239 KSFVLIQDMPBFDX-MHORFTMASA-N 330.694 2.019 30 40 EEEB N#Cc1ncc(N2CC3(C[C@H](OCc4ccccn4)CS3)C2)cn1 247709610 IEHRVODZMBVUMU-HNNXBMFYSA-N 339.424 2.024 30 40 EEEB CO/N=C/Nc1nc2nccc([C@@H](C)Oc3cccc(F)c3)n2n1 3134409 GZIWXOUMCXUJHP-SNVBAGLBSA-N 330.323 2.405 30 40 EEEB NC1=C(c2nc3ccccc3s2)C(=O)CN1/N=C/c1cccnc1 13685141 FYHFDKJXWFIVRN-AWQFTUOYSA-N 335.392 2.237 30 40 EEEB C=CCO[C@@H]1CCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)[C@H]1Cc1ccccc1 1565549965 LIXRLIFKRUZASK-ZWJWXYIHSA-N 327.424 2.294 30 40 EEEB O=C(C[C@H]1S/C(=N\N=C\c2ccco2)NC1=O)c1ccccc1 6060738 HMNKKFOJEBYMOT-NGWPFTMJSA-N 327.365 2.474 30 40 EEEB C=CCn1ccn(-c2ccc(Br)cc2F)c(=O)c1=O 22726081 QAYVNWZGCOMVES-UHFFFAOYSA-N 325.137 2.087 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)c1 51877494 XZZQGWLRHGCUHT-QGZVFWFLSA-N 344.365 2.087 30 40 EEEB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 12525328 OPFYWJKUFAIKQQ-CYBMUJFWSA-N 349.394 2.339 30 40 EEEB NC(=O)CSc1ccccc1C(=O)OCC#Cc1ccccc1 47895897 CDNIUMDQYULHGW-UHFFFAOYSA-N 325.389 2.473 30 40 EEEB N#Cc1ccc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1 27613006 VBXKCFUMLJZUCA-GOSISDBHSA-N 327.428 2.065 30 40 EEEB CC1CCN(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)CC1 13097988 SMWQBDUEIUZVEP-SFHVURJKSA-N 326.400 2.015 30 40 EEEB CCNc1nc(NCC)nc(N/N=C/c2ccc(OC)c(OC)c2)n1 5716245 XWFJXNWULLFDOG-VXLYETTFSA-N 345.407 2.198 30 40 EEEB Cc1cc(C(=O)COC(=O)COc2ccc(C#N)cc2)c(C)n1C 5990393 JBDSUZVDLWRFAY-UHFFFAOYSA-N 326.352 2.319 30 40 EEEB Cn1ccnc1[C@H](O)C1CCN(Cc2cc(F)ccc2C#N)CC1 89925769 VSHFBEOTIUABKK-QGZVFWFLSA-N 328.391 2.376 30 40 EEEB Cc1ccc([C@H](CNc2nccnc2C#N)N2CCOCC2)s1 72276396 OUSQPSKGJZRUEB-AWEZNQCLSA-N 329.429 2.204 30 40 EEEB N#C[C@]1(NC(=O)CCc2ccc3c(c2)OCCCO3)CCSC1 71903879 SOMCICQPYAGIGE-QGZVFWFLSA-N 332.425 2.296 30 40 EEEB N#Cc1cnn(CCN2CCC[C@@H](c3cc(C(F)(F)F)[nH]n3)C2)c1 76059640 LODPCFDWQNBWGH-GFCCVEGCSA-N 338.337 2.376 30 40 EEEB C/N=C(\NCc1cc(C(C)C)no1)NCc1ccc(C)nc1OC 95963173 ARENLJRGSKTVLA-UHFFFAOYSA-N 331.420 2.375 30 40 EEEB CC/N=C(/NCCn1cccc1)NCc1ccnc(N2CCCC2)c1 195546169 MHBNXZRRVWXFBG-UHFFFAOYSA-N 340.475 2.239 30 40 EEEB Cc1csc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1 225484145 AQWGLUKIEOMIAX-LBPRGKRZSA-N 328.397 2.402 30 40 EEEB C=CCN1CCN(C)C2(CCN(Cc3ccc(F)cc3)CC2)C1=O 96050060 BBAREVFFWWQWBK-UHFFFAOYSA-N 331.435 2.120 30 40 EEEB COC[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H]1c1cnn(C)c1 585655542 OAAHXMDSWPVFAY-HKUYNNGSSA-N 349.438 2.406 30 40 EEEB CC[C@H]1CN(C(=O)CO/N=C2/CCCc3cc(OC)ccc32)CCO1 68406698 AZIZOJCWRJSKAE-ZJYNUGOYSA-N 346.427 2.390 30 40 EEEB C=CCN1CCC[C@]2(CC1)CN(C(=O)COC)Cc1ccccc1O2 12365582 OAJDJGOHFPOEMT-FQEVSTJZSA-N 344.455 2.465 30 40 EEEB CC(C)(C)c1ccc(OC[C@H]2CCN(c3nccc(C#N)n3)C2)nn1 1888844028 ALDHPSNZRISCEB-ZDUSSCGKSA-N 338.415 2.341 30 40 EEEB N#Cc1ccc(S(=O)(=O)N(CCC(=O)O)Cc2ccccc2)cc1 13359679 BULUUAXQZUXTKV-UHFFFAOYSA-N 344.392 2.224 30 40 EEEB N#Cc1ccc(N2CCCN(c3nc4ccc(F)cc4o3)CC2)nn1 2086992558 PQTLRNGUKUDJSR-UHFFFAOYSA-N 338.346 2.345 30 40 EEEB [N-]=[N+]=Nc1c(F)c(F)c(C(=O)ON2C(=O)CCC2=O)c(F)c1F 72400471 HCTLWQSYGIBOFM-UHFFFAOYSA-N 332.169 2.406 30 40 EEEB in-vitro Cc1ccc(CN2CCN(/N=C3/C(=O)Nc4ccccc43)CC2)cc1 20081802 CEOFRBHLNKPCPP-UHFFFAOYSA-N 334.423 2.469 30 40 EEEB C#Cc1cccc(N(CC(=O)NC[C@H]2CCOC2)Cc2ccco2)c1 69569835 YPRRNKXTOVAOLG-QGZVFWFLSA-N 338.407 2.420 30 40 EEEB C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)N1CCOCC1 97085172 JCSHJAXXFNEUBR-SNVBAGLBSA-N 327.306 2.236 30 40 EEEB Cc1ccc(NC(=O)[C@H](C)O/N=C(/N)[C@H](C)n2ccnc2)c(C)c1 72286197 DORMVWGJMNGPJQ-KBPBESRZSA-N 329.404 2.377 30 40 EEEB CNC(=S)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 409208833 ALBBFFNFQIVHFJ-IUXPMGMMSA-N 331.357 2.210 30 40 EEEB C=CCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)OCC)c1=O 225965603 NAWHUVGARPSFME-UHFFFAOYSA-N 329.312 2.181 30 40 EEEB CC1=C(O)[C@@H]2[C@@H](O)[C@]3(CC[C@@H]4[C@H](/C=C(\C)C(=O)[C@@]2(O)C1)C4(C)C)CO3 1560408658 JOBKOEODEPTTPY-OLQXGYNSSA-N 348.439 2.281 30 40 EEEB COc1cnc(OC2CCN(c3ncc(C#N)cc3Cl)CC2)nc1 1889102699 VHXRYWLNZDQMNI-UHFFFAOYSA-N 345.790 2.453 30 40 EEEB C#Cc1cccc(NC(=O)CNC(=O)c2cccnc2SC)c1 40555153 IXNUXRSBEBHZSM-UHFFFAOYSA-N 325.393 2.153 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(\O)c2occc2C)cc1OC 48492367 WEFZBHUIEHJNFG-UHFFFAOYSA-N 325.342 2.299 30 40 EEEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)COC1CCCC1 48460409 MNGKQPFASNNRPB-UHFFFAOYSA-N 341.385 2.078 30 40 EEEB N#CCCn1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCCC3)C2)n1 70037468 OTQGUDSIFINSOS-AWEZNQCLSA-N 343.431 2.307 30 40 EEEB C#CCNC(=O)CCCOc1ccc(I)cc1 48923607 ZLYDDLACUJAMDC-UHFFFAOYSA-N 343.164 2.200 30 40 EEEB C#CCNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)s1 69417062 ITEDQBAREFSUJY-UHFFFAOYSA-N 342.376 2.150 30 40 EEEB CCCCNC(=O)NS(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N 4577196 PFAKDWOQNOTQCM-UHFFFAOYSA-N 344.824 2.012 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(C(=O)OC)C1 69901153 KVBOXDOGPNEHHE-ZDUSSCGKSA-N 331.372 2.374 30 40 EEEB CCC(=O)NC1=C(Nc2ccc(N)cc2)C(=O)c2ccccc2C1=O 5500940 MWEUUCVMUWQDTQ-UHFFFAOYSA-N 335.363 2.498 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N[C@H]1CCCN(c2ccccc2)C1 88964170 XNTZUPMHZOVIAO-HNNXBMFYSA-N 342.447 2.102 30 40 EEEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc(-c2ccccc2)[nH]n1 126388582 XQYBQPIPGJTVAR-CYBMUJFWSA-N 331.335 2.433 30 40 EEEB COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(-c2ccccc2C#N)cc1 195578104 GILXXRKIRBKCBX-HKUYNNGSSA-N 336.391 2.333 30 40 EEEB Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)oc2c1C(=O)CCC2 193532618 GRHJYKSQOLOXPB-NSHDSACASA-N 337.335 2.463 30 40 EEEB CC(C)CNC(=O)C1=NO[C@]2(CCN(Cc3cccc(C#N)c3)C2)C1 96225448 CEVRWONLRIZZHI-LJQANCHMSA-N 340.427 2.051 30 40 EEEB C=CCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O 13611870 GCSCOGKEIMAAMD-UHFFFAOYSA-N 328.391 2.273 30 40 EEEB Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1ccc2c(c1)OCO2 32951 GEATVBKNXZHVHK-VXLYETTFSA-N 334.335 2.225 30 40 EEEB CCCNC(=O)c1c(/N=C/c2ccc(OC)c(OC)c2)cnn1C 2798151 GICRJQWOCFKKLZ-VXLYETTFSA-N 330.388 2.328 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)CCCc1ccc(Br)s1 102700102 UZHLXVDPWNMFPS-SECBINFHSA-N 329.219 2.288 30 40 EEEB CCOC(=O)c1cnn(-c2nc3ccccc3n2C)c1/N=C/N(C)C 4033932 HHEXCTRCWNSSMQ-WOJGMQOQSA-N 340.387 2.157 30 40 EEEB CC(C)[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 14198434 AVJBKAWHYISUKQ-AWEZNQCLSA-N 346.818 2.418 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 4889260 NMKYUBDIARGHNB-RWMBFGLXSA-N 340.383 2.024 30 40 EEEB Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)oc1C 69417584 ULLJXVGOGBASBT-UHFFFAOYSA-N 341.371 2.394 30 40 EEEB N#CC1(NC(=O)C2=Cc3ccccc3OC2)CCC2(CC1)OCCO2 69518419 PLRGKZVWZDWTBK-UHFFFAOYSA-N 340.379 2.158 30 40 EEEB N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](c4ccn[nH]4)C3)C2=O)cc1 72271005 FOSDYDWZCZPGIS-MAUKXSAKSA-N 335.411 2.266 30 40 EEEB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(C#N)c(C#N)c3)cnc12 72292738 ROARTGMXXMZKNS-UHFFFAOYSA-N 343.346 2.087 30 40 EEEB Cc1ccc([C@@H](CNc2nccnc2C#N)N2CCOCC2)s1 72276395 OUSQPSKGJZRUEB-CQSZACIVSA-N 329.429 2.204 30 40 EEEB C[C@@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CCc2cn[nH]c2C1 78948356 GMHRHKXIZQNBLN-JSGCOSHPSA-N 325.368 2.397 30 40 EEEB N#Cc1ccc(N2CCN(CCOc3ccccc3C#N)CC2)nc1 60480000 QOTKSZYXWYTQNN-UHFFFAOYSA-N 333.395 2.026 30 40 EEEB C#CCN1CCC(C(=O)Nc2ccnn2Cc2ccc(C)o2)CC1 75122975 HKCSQPGPOFRUCW-UHFFFAOYSA-N 326.400 2.117 30 40 EEEB Cc1nnc(N2CC[C@H](CNc3ncccc3C#N)C2)c(C#N)c1C 65475308 KTTUMWUYWQGHEG-CQSZACIVSA-N 333.399 2.170 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222351449 TTZLOJRHGLDNSU-CUPAIVAPSA-N 336.391 2.472 30 40 EEEB N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 69586739 PLASZCDYZGUREL-HIFRSBDPSA-N 341.333 2.274 30 40 EEEB CCOc1c(Br)cc(/C=N/n2cnnc2)cc1OC 5335950 UQRNZBSMHOVXTG-OMCISZLKSA-N 325.166 2.330 30 40 EEEB O=C(CNc1cccc(C#Cc2cccs2)c1)N1CCNC1=O 29399835 UDRKMBAFGMKXJX-UHFFFAOYSA-N 325.393 2.112 30 40 EEEB C#CCOc1ccc(N(C)S(=O)(=O)c2c(C)nn(CC)c2C)cc1 96423541 BNVZHAYMHSZBSE-UHFFFAOYSA-N 347.440 2.357 30 40 EEEB C#CCOc1ccc(C(=O)NCc2ccccc2Cn2cncn2)cc1 96423589 IYTADKLOSPVHNE-UHFFFAOYSA-N 346.390 2.268 30 40 EEEB Cc1ccnc([C@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)n1 97114640 ALVZDNZBQPYUMK-OAHLLOKOSA-N 328.397 2.086 30 40 EEEB CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118917234 JZEZLAAJRKPOFM-ILBBFMPESA-N 346.467 2.377 30 40 EEEB biogenic,in-vitro CCc1nn(C)c(CC)c1CN/C(=N/C)N[C@H]1CCN(CC)[C@H](C)C1 95974608 IHVUJGYYZRBLRL-CABCVRRESA-N 348.539 2.083 30 40 EEEB Cc1cc(N(CCC#N)C(=O)COC(=O)C2CC(=O)C2)ccc1Cl 89587672 WGGCWHJIPHTSKS-UHFFFAOYSA-N 348.786 2.417 30 40 EEEB O=C1CSC(=N/N=C/c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 408733164 WLWBPTBXLDVCQT-QLKAYGNNSA-N 333.156 2.455 30 40 EEEB COc1ccc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1C#N 583616598 QPAXKJKYFXKMFU-APWZRJJASA-N 336.395 2.023 30 40 EEEB CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1ccc(Cl)cc1 96413248 IJZVCRZRUKYUPW-GFCCVEGCSA-N 329.853 2.498 30 40 EEEB N#Cc1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Cl 69370810 DBWDUBSUKGLVPI-HOTGVXAUSA-N 348.834 2.275 30 40 EEEB CCn1ccnc1CN1CCN(Cc2cc(C#N)ccc2F)CC1 69490882 PLOOTONFHHYPQX-UHFFFAOYSA-N 327.407 2.232 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2CC2)n[nH]1 65514569 HRVWJAMKWIKAMT-UHFFFAOYSA-N 325.372 2.035 30 40 EEEB N#Cc1cc(C(=O)N[C@@H]2CCc3nccn3C2)ccc1N1CCCC1 75612827 UIBRDKYTWGEWAM-MRXNPFEDSA-N 335.411 2.100 30 40 EEEB C=CCS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1cccc(OC)c1 12085314 GDFMOYYTKCYUAD-VBQJREDUSA-N 337.441 2.443 30 40 EEEB COC(=O)c1cc(NCC(=O)N[C@](C)(C#N)C(C)C)c(F)cc1F 40071591 FBPHKRDCXNYKKN-MRXNPFEDSA-N 339.342 2.218 30 40 EEEB C=CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@@]1(C)O 4908713 NWUXBZWNOPUFOF-JCKWVBRZSA-N 346.358 2.039 30 40 EEEB C=C1CCN([C@@H](C)[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 6487447 NFEZZTICAUWDHU-KSSFIOAISA-N 348.397 2.485 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 101239857 GHIGRDADUISATB-PPLBCVRQSA-N 329.396 2.156 30 40 EEEB COC(=O)c1sc(NC(=S)NC(=O)C(C)C)c(C#N)c1C 9140322 HEYWFARVPFNGOU-UHFFFAOYSA-N 325.415 2.184 30 40 EEEB C=C(Br)CNC(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)CC 69813829 XVNSKKLKAPGZSO-PWSUYJOCSA-N 346.269 2.231 30 40 EEEB Cc1cnn([C@H](C)[C@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)c1 69917862 FQAFBXVAXWXQCR-QWHCGFSZSA-N 329.404 2.451 30 40 EEEB C#CCOc1c(I)cc(CO)cc1OCC 409116083 KNDTVIDCIMVQIC-UHFFFAOYSA-N 332.137 2.194 30 40 EEEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC 5869221 PBOSKFVDHACJPQ-UHFFFAOYSA-N 332.429 2.190 30 40 EEEB C[C@@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)N1CCCCC1=O 95431824 FSSHNHIEXLMUFH-KXBFYZLASA-N 327.428 2.419 30 40 EEEB Cc1ccc(N2CC[C@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nn1 96077442 SJEPTIPAJVBEOH-IBGZPJMESA-N 333.395 2.290 30 40 EEEB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC2(C#N)CC2)cc1 81750846 NWAQAQUIDXLKTD-UHFFFAOYSA-N 343.412 2.179 30 40 EEEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(O)cc(C)oc1=O 11617285 ZDDNIFADMKUMSG-NVNXTCNLSA-N 348.271 2.306 30 40 EEEB Cc1nn(-c2ccccc2)c(CSc2nc(N)cc(N)n2)c1C#N 18541151 UAERRPUTPVEEJI-UHFFFAOYSA-N 337.412 2.299 30 40 EEEB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)C1(C#N)CCCC1)C2 1565553097 KMFCAPCBIOVFTM-UHFFFAOYSA-N 341.459 2.332 30 40 EEEB Cc1cc(C)n(-c2nnc(S)n2/N=C/c2ccc([N+](=O)[O-])cc2)n1 1439718 ZNHKQKGTDGIAHI-OVCLIPMQSA-N 343.372 2.160 30 40 EEEB N#Cc1ccccc1COC(=O)CCn1ncc(=O)c2ccccc21 32829159 GZVNBCYYBXSWPM-UHFFFAOYSA-N 333.347 2.402 30 40 EEEB CN(C)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 47032803 ZMELAYWEPAUNNB-QGZVFWFLSA-N 347.415 2.279 30 40 EEEB 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([N+](=O)[O-])s1 100231770 KCZFLFYOLLDLKV-FOQLCTGDSA-N 343.364 2.043 30 40 EEEB Cc1cc(C)n(C[C@@H]2CN(Cc3cc(C#N)ccc3F)CCO2)n1 69463005 FHLMLLYFOCCBQB-KRWDZBQOSA-N 328.391 2.412 30 40 EEEB CCOC(=O)COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1 409064657 DFAJVZCKZPVHBM-VCHYOVAHSA-N 344.327 2.378 30 40 EEEB O=[N+]([O-])[C@@H](/C=N\OCc1ccccc1)S(=O)(=O)c1ccccc1 5518370 HOFTUJQQLFXKHG-DFSFMLJYSA-N 334.353 2.266 30 40 EEEB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(C#N)c1 15403377 YMMQYERMONDVMQ-UHFFFAOYSA-N 341.436 2.371 30 40 EEEB N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccco2)c([N+](=O)[O-])c1 71904091 WHUJSOKDAPKWST-HNNXBMFYSA-N 340.339 2.345 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c1 97379309 TXUCPFRRXQONDV-UHFFFAOYSA-N 326.337 2.409 30 40 EEEB CCOCCCN/C(=N/[C@@H](C)[C@@H]1CCCO1)NCc1ccccn1 95350519 PIVUWKRPTFJPHQ-RDJZCZTQSA-N 334.464 2.111 30 40 EEEB Cc1ccn2cc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)nc2c1 95943075 IVZDNYBRNBDKSY-UHFFFAOYSA-N 332.363 2.418 30 40 EEEB CC(=O)N1C[C@H](Nc2nc(C)cc(C#N)n2)CC[C@@H]1C(F)(F)F 583616860 ZTRGIYVYCSCCKN-ZYHUDNBSSA-N 327.310 2.010 30 40 EEEB C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc23)CCS1(=O)=O 95943160 DFYPUAUZVBNWPQ-JTQLQIEISA-N 335.816 2.383 30 40 EEEB N#Cc1cccnc1N1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1 2298183915 DHWJSPHIWGENQJ-CQSZACIVSA-N 334.370 2.427 30 40 EEEB COc1ccc([C@H]2c3cnn(C(C)C)c3NC(=O)[C@H]2[N+](=O)[O-])cc1 100253257 GSGRGWRZNNSBJZ-KBPBESRZSA-N 330.344 2.202 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)c1 30936227 QQRNUHLDSVHCGD-UHFFFAOYSA-N 342.786 2.275 30 40 EEEB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(N)=S)c1C 564321 XKXOUJXXUOOELY-QGMBQPNBSA-N 330.413 2.268 30 40 EEEB N#Cc1cccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 57424580 FQRVDODWGSNJKQ-UHFFFAOYSA-N 331.349 2.487 30 40 EEEB COc1cc(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1O 409406357 QEPGEFLNLAVEDC-LBLXLQPISA-N 346.770 2.195 30 40 EEEB CC(=O)N(C)Cc1cccc(Nc2ncnc3c2cnn3CCC#N)c1 65520338 ZSHFGLIQUVZJLL-UHFFFAOYSA-N 349.398 2.462 30 40 EEEB CN(C(=O)COC(=O)COc1ccccc1C#N)C1CCCCC1 5505811 CRZJICJSDSZPFE-UHFFFAOYSA-N 330.384 2.271 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)N[C@H](C)c2ccccc2)C1=O 5625209 DITHLPMPCCHYPA-XROPSADXSA-N 327.384 2.266 30 40 EEEB Cc1cc(COC(=O)c2c[nH]c(C#N)c2)ccc1N1CCOCC1 97049106 MRMXNWPWNXFZBH-UHFFFAOYSA-N 325.368 2.388 30 40 EEEB C#CCOc1ccccc1CN1CCN(Cc2cc(C)no2)CC1 96489515 WARRTMKNDKFJRM-UHFFFAOYSA-N 325.412 2.313 30 40 EEEB Cc1ccc(NC2CCN(C(=O)c3ccc(C#N)c(C)n3)CC2)nn1 71863540 QFZUGOQWPURXOT-UHFFFAOYSA-N 336.399 2.077 30 40 EEEB Cc1cc([C@@](C)(O)CNC(=O)NCc2cccc(C#N)c2)c(C)o1 76085495 NGGOZYFEIOVNDQ-SFHVURJKSA-N 327.384 2.475 30 40 EEEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3cnccn3)nc2c1 35311711 LQJAOQWLRLSANK-UHFFFAOYSA-N 346.394 2.355 30 40 EEEB CCN1CCOC[C@@H]1/C(O)=N/C1CCN(c2ccccc2OC)CC1 329393531 SPTZPPNKVSEDFB-QGZVFWFLSA-N 347.459 2.341 30 40 EEEB O=C(NCC#CCN1CCOCC1)c1ccc(-c2ccccc2)cc1 75164846 FUSVVSYHULKZFH-UHFFFAOYSA-N 334.419 2.419 30 40 EEEB C=CCN(CC=C)C(=O)Cn1cc(COc2ccc(OC)cc2)nn1 227167870 ODBBWGRVPSFAJQ-UHFFFAOYSA-N 342.399 2.066 30 40 EEEB COC(=O)CCN(C(=O)c1cc(C#N)cn1C)c1cccc(F)c1 81548337 YWIGMYFTFCIVAZ-UHFFFAOYSA-N 329.331 2.246 30 40 EEEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])cnc1N 97376431 ITTGPUGAMZMFDP-UHFFFAOYSA-N 339.355 2.494 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 96249648 JQAXGEZODCGBMP-QZTJIDSGSA-N 329.444 2.105 30 40 EEEB CCOC(=O)c1cnc(NCc2cc(F)c(C#N)c(F)c2)nc1C 585092483 ZPJHNHNNVZVCEG-UHFFFAOYSA-N 332.310 2.724 30 40 EEEB N#Cc1ccnc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 1148893722 DHPITXPXEYQCIY-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1cccnc1 42323602 RRWJLRFZUZWAOX-GQCTYLIASA-N 346.364 2.211 30 40 EEEB Cc1c(N2CCC(NC(=O)C3CC3)CC2)cc(C#N)cc1[N+](=O)[O-] 48300399 OCYHYHLIEZJLOU-UHFFFAOYSA-N 328.372 2.270 30 40 EEEB N/C(=N/OC(=O)c1ccsc1)c1cccc(CN2CCOCC2)c1 69895354 LRLTUYVCBPUJJZ-UHFFFAOYSA-N 345.424 2.058 30 40 EEEB C=CCN(CC(=O)O)C(=O)c1ccccc1I 92463655 VEKVQHMBLWTJFJ-UHFFFAOYSA-N 345.136 2.004 30 40 EEEB COc1ccc(CNC[C@H]2CCCN(c3ncccn3)C2)cc1C#N 94012752 CBISSSWRMHGYLN-MRXNPFEDSA-N 337.427 2.363 30 40 EEEB N#Cc1cc(C(F)(F)F)ccc1N1CCN([C@@H]2CCOC2)CC1 96484300 RYLSRBOKOPKREK-CQSZACIVSA-N 325.334 2.488 30 40 EEEB COCCCCN/C(=N/[C@@H](C)[C@H]1CCCO1)NCc1ccccn1 71804094 ROWWRHMVNGDMJT-DOTOQJQBSA-N 334.464 2.111 30 40 EEEB CC(C)COc1ccc(CC(=O)NC2(C#N)CCN(C)CC2)cc1 71883647 IDRSYLVXQDJGCW-UHFFFAOYSA-N 329.444 2.368 30 40 EEEB N#C[C@@]1(NC(=O)CCc2ccc3c(c2)OCCCO3)CCSC1 71903878 SOMCICQPYAGIGE-KRWDZBQOSA-N 332.425 2.296 30 40 EEEB N#Cc1ccc(F)c(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 95939975 BJYITZAMXYNOMP-UHFFFAOYSA-N 349.343 2.225 30 40 EEEB N#Cc1ccnc(NCCNc2ncnc3ccccc23)c1[N+](=O)[O-] 95966035 MJCIKXIXMKANEA-UHFFFAOYSA-N 335.327 2.329 30 40 EEEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1 78556428 UUVKEDRKTZBQTP-LSDHHAIUSA-N 349.412 2.268 30 40 EEEB Cc1nn2c(c1C#N)NC(=O)[C@@H]2CC(=O)Nc1ccccc1Cl 96194535 KZZLMSNHQMELJO-LBPRGKRZSA-N 329.747 2.239 30 40 EEEB CCOC(=O)/C(=C/NC1CC1)C(=O)c1cc(F)c(F)c(OC)c1F 136424970 HVJXUGXNDLCTGC-JXMROGBWSA-N 343.301 2.494 30 40 EEEB in-vitro N#Cc1cccc(N2C[C@]3(CCN(C(=O)c4cc[nH]c4)C3)CC2=O)c1 2055812467 IUUNIPAFJFRKDK-LJQANCHMSA-N 334.379 2.156 30 40 EEEB C=C(C)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C 6031433 USRAFFQOAADTTD-SVAVSBTGSA-N 330.380 2.373 30 40 EEEB biogenic,in-vitro C=CCNC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 57711452 AFZYQPIMVXHEMD-UHFFFAOYSA-N 327.350 2.130 30 40 EEEB N#C[C@@H]1C(=S)NC(N)=C(C(=O)Nc2ccccc2)C12CCCC2 102413734 TXHCFLNTELVMNG-GFCCVEGCSA-N 326.425 2.426 30 40 EEEB CCOc1ccccc1-n1nnn(CN(CC)CCC#N)c1=S 58283564 FXXQAQLUQFKYFF-UHFFFAOYSA-N 332.433 2.390 30 40 EEEB C=CCNC(=O)NCc1ccc(OC)c(OC)c1Br 58282627 XXQQUJHYGLKRAC-UHFFFAOYSA-N 329.194 2.452 30 40 EEEB COc1ccc(C(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)cc1OC 58246439 BXXFTLOKLWZQBW-SECBINFHSA-N 344.396 2.311 30 40 EEEB N#Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCOCC2)cc1 26521362 SGBWMIMUOAJKSF-QGZVFWFLSA-N 338.415 2.081 30 40 EEEB Cc1ccc(S(=O)(=O)NCC/N=C/c2ccc(N(C)C)cc2)cc1 96129731 SBLATKKEZPWZDE-XMHGGMMESA-N 345.468 2.458 30 40 EEEB COC[C@](C)(C#N)NC(=O)c1cnn(-c2ccccc2Cl)c1C 84045014 FBPUGOPYAQSCAX-INIZCTEOSA-N 332.791 2.493 30 40 EEEB CCN(C[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1)CC(F)(F)F 89969145 VAFKNQAHUXCDCY-CYBMUJFWSA-N 340.349 2.300 30 40 EEEB C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)n1cccn1 71882083 BTEXGCXFFBZURQ-VXGBXAGGSA-N 343.456 2.483 30 40 EEEB Cc1occc1C(=O)NCC(=O)N[C@H](C#N)c1cccc(Cl)c1 97096027 CETRIJGAJFRLTH-CQSZACIVSA-N 331.759 2.352 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC[C@@H]1C#N 72270449 AKPVXGFXTQSUDP-CJNGLKHVSA-N 327.384 2.422 30 40 EEEB CNC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCc1ccccc1 33337990 HCZRNFFKBBZMEP-MTJSOVHGSA-N 349.394 2.407 30 40 EEEB N#Cc1ccccc1Cn1cc([C@H]2OCCN2Cc2ccco2)nn1 216780394 ZARUNCJFQVPZOR-GOSISDBHSA-N 335.367 2.322 30 40 EEEB CN(CCN1CCCC1=O)Cc1ccc(C#N)cc1Br 97232397 SGOIAPONMVBNAO-UHFFFAOYSA-N 336.233 2.375 30 40 EEEB N#Cc1cccc(CN2CC[C@@H]3[C@@H]2CC(=O)N3Cc2ccncc2)c1 96184069 LZXCPIVRNREPGK-MOPGFXCFSA-N 332.407 2.329 30 40 EEEB N#Cc1cccc([C@H]2CN(c3ncnc4c3nnn4C3CC3)CCO2)c1 1615585794 LJLRPZNOMCLUDH-OAHLLOKOSA-N 347.382 2.006 30 40 EEEB CC1CCC(N2C[C@@H](/C(O)=N/c3nc4ncccn4n3)CC2=O)CC1 66766713 SBKGBHVPEFYXPN-CPCZMJQVSA-N 342.403 2.140 30 40 EEEB C/C(=N\Nc1cc(N2CCOCC2)ncn1)c1cccc([N+](=O)[O-])c1 5003225 FHZVRLBOUUSPEJ-XDHOZWIPSA-N 342.359 2.058 30 40 EEEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1 40268214 BBORYZMHFAFQKL-MRXNPFEDSA-N 338.367 2.013 30 40 EEEB O=C1CCCC(=O)C1=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1 47409 SXEZKHJOLCZGPU-UHFFFAOYSA-N 346.386 2.183 30 40 EEEB O=C1C=C(C2=CC(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc21 1570586 YSWLZVWSHJYBPI-UHFFFAOYSA-N 346.294 2.409 30 40 EEEB endogenous,in-man COc1ccc(NC(=O)c2cccc(C#N)c2)cc1-n1nnnc1C 69739048 IRYBEEFBSDLHEF-UHFFFAOYSA-N 334.339 2.103 30 40 EEEB Cc1ccc2ncn(C[C@H](O)COc3ccc(CC#N)cc3)c(=O)c2c1 44974825 NJPYNXOOMYDNIW-INIZCTEOSA-N 349.390 2.211 30 40 EEEB COCCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13684111 LEOJIVLWHAQZDQ-LICLKQGHSA-N 348.384 2.299 30 40 EEEB CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(F)c(C#N)c2)cc1 95984621 UUHUDOXDNVBKDF-GFCCVEGCSA-N 347.415 2.456 30 40 EEEB N#Cc1ccc(C(F)(F)F)c(NCCC(=O)N2CCOCC2)c1 121136871 ARYXFGFGFOBWFM-UHFFFAOYSA-N 327.306 2.238 30 40 EEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1ccncc1 408527648 PDRMZEBRWYEYPL-ZDUSSCGKSA-N 342.742 2.337 30 40 EEEB C=CCO[C@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1cnn(C)c1 96200680 FRIHZCGTNRISKL-IRXDYDNUSA-N 345.468 2.439 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(N2CCCCC2)o1 5023823 CCHOAHYPJWVDGD-WODCPYSISA-N 339.395 2.411 30 40 EEEB N#CCOc1ccc(-c2ccnc3nc(N4CCCC4)[nH]c(=O)c23)cc1 19973902 NKPBFLPEMKJTLP-UHFFFAOYSA-N 347.378 2.488 30 40 EEEB Cc1cc(C)n(Cc2cccc(C(=O)[C@@H](C#N)C(=O)NC(C)C)c2)n1 102769607 BVAHQJWVLBOGAA-QGZVFWFLSA-N 338.411 2.395 30 40 EEEB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1cnn(C)c1 103504291 WFRAFAFOGBUOFS-NSHDSACASA-N 346.774 2.352 30 40 EEEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1O 12349096 NQBFIEQNRJESQL-OAHLLOKOSA-N 341.371 2.045 30 40 EEEB CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c1C#N 10711635 HLVQHVWMNNJYPI-VIFPVBQESA-N 345.424 2.376 30 40 EEEB C[C@@H]1CC(=O)C2=C(CC[C@]3(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]3O)C1 29042204 CRULJZWXPCYLAC-CRYRNKTMSA-N 328.364 2.059 30 40 EEEB biogenic,in-vitro C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1ccc(C#N)cc1 4994235 FKDOOFNXIJSGCS-KBPBESRZSA-N 330.384 2.270 30 40 EEEB CCCCCCN/C(=N\C)NCc1ccccc1NS(C)(=O)=O 75611829 XRXAJTQMSOMVMG-UHFFFAOYSA-N 340.493 2.303 30 40 EEEB N/C(=N\Cc1ccccc1CN1CCOCC1)NC1CCCCC1 71847215 OMAWSKYRHHKUIK-UHFFFAOYSA-N 330.476 2.256 30 40 EEEB CCc1nnc(S)n1/N=C/c1ccc(I)o1 408859669 YXLRXECXJLWWHY-VZUCSPMQSA-N 348.169 2.209 30 40 EEEB C/N=C(/NCc1cnn(C)c1)NCc1ccccc1OC(C)(C)C 95963369 QOTPEAGPNBXZPH-UHFFFAOYSA-N 329.448 2.463 30 40 EEEB COc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC)c1C 409408733 RMNXRVXEBGNRDX-GVAFMPQTSA-N 340.379 2.153 30 40 EEEB C#Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2F)c1 32895266 GSJNBKXJEHHPOT-UHFFFAOYSA-N 346.383 2.114 30 40 EEEB C=CCN1CCC(NC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 226747179 MCKMWJHXCMWCCV-IBGZPJMESA-N 345.418 2.475 30 40 EEEB N#Cc1cccc(CNC[C@@H]2COCc3c(-c4ccoc4)nnn3C2)c1 96069465 HZWNZGUNYSLSNJ-INIZCTEOSA-N 349.394 2.346 30 40 EEEB C[C@H]1C[C@H]1Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1C#N 95417563 ZNJRORCTFRBGCD-QPUJVOFHSA-N 333.335 2.219 30 40 EEEB COCCCNc1cc(C#N)ccc1S(=O)(=O)NC1CCCC1 1615050836 CXELJEVZNUAJKQ-UHFFFAOYSA-N 337.445 2.228 30 40 EEEB C[C@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 58380452 VXUXLNIIKDPYBX-HTLYNOCZSA-N 335.429 2.094 30 40 EEEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 4525657 HSJMOXVYDYWJGK-QGOAFFKASA-N 346.408 2.469 30 40 EEEB Cc1nc2c(c(N3C[C@@H]4CN(c5cccc(C#N)n5)C[C@H]4C3)n1)CCC2 1888864096 LDENBENAFXEXIG-GJZGRUSLSA-N 346.438 2.113 30 40 EEEB Cc1nc(C)c(C(=O)/C=C2\Nc3ccc([N+](=O)[O-])cc3OC2=O)o1 100869504 YNCVETOBWBGNTP-WDZFZDKYSA-N 329.268 2.297 30 40 EEEB COc1ccc(/C=N/NC(N)=S)cc1OC(=O)c1ccc(C)cc1 478859 JBHGSGHRSFQTKH-VXLYETTFSA-N 343.408 2.390 30 40 EEEB N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 47359320 LTNKDHZHZXSYBY-TZMCWYRMSA-N 348.362 2.381 30 40 EEEB Cc1cnn(C[C@H]2CCCN2CC(=O)Nc2oc(C)c(C)c2C#N)c1 70039590 XGJLIMOAIDAJRH-OAHLLOKOSA-N 341.415 2.376 30 40 EEEB CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1ccc(C#N)cc1 78898769 RVSHWURCJMETSX-MSOLQXFVSA-N 349.500 2.487 30 40 EEEB CCN(CC)CC#C[C@@H](C)OC(=O)c1csc(-c2cnccn2)n1 95429448 HLZSSVSNCOYMMW-CYBMUJFWSA-N 344.440 2.491 30 40 EEEB CC(=O)C(C(=O)Nc1ccc(F)cc1)=C1SC(C(=O)O)S1 62716057 XCNLCHGGFKHSNW-UHFFFAOYSA-N 327.358 2.456 30 40 EEEB N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCCO3)C2)c(F)c1 69377793 UXKIKJSORPORDC-CABCVRRESA-N 346.406 2.144 30 40 EEEB Cc1oc(NC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)c(C#N)c1C 72270656 BKCALXKWRZMMSJ-ZDUSSCGKSA-N 327.388 2.309 30 40 EEEB Cc1csc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1 225484107 AQWGLUKIEOMIAX-GFCCVEGCSA-N 328.397 2.402 30 40 EEEB N#Cc1ccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)nc1 85557051 PVFFILVPOOUSHB-UHFFFAOYSA-N 349.437 2.247 30 40 EEEB N#Cc1ncc(N2CC3(C[C@@H](OCc4ccccn4)CS3)C2)cn1 247709611 IEHRVODZMBVUMU-OAHLLOKOSA-N 339.424 2.024 30 40 EEEB C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@@H](C#N)CCC#N)CC1 69485218 FBZHLWWOYXCEJT-ZIAGYGMSSA-N 328.420 2.069 30 40 EEEB C=C1CCN([C@@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 6487570 NFEZZTICAUWDHU-KBXCAEBGSA-N 348.397 2.485 30 40 EEEB in-vitro CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccncc2)n1C 3342569 KRXKYWVWZWWBTG-MRXNPFEDSA-N 344.444 2.024 30 40 EEEB CCOc1ccc(C2=C(C(C)=O)Sc3nncn3N2C(C)=O)cc1 4518287 GGHQJNNRQSBCBI-UHFFFAOYSA-N 344.396 2.225 30 40 EEEB COc1cc(-c2c(C#N)c(N)nc(OC)c2C#N)cc(OC)c1OC 20051265 GZOMLBCZNVAPTI-UHFFFAOYSA-N 340.339 2.109 30 40 EEEB CCOc1nnc(CN2CCN(c3cccc(F)c3C#N)CC2)s1 58168503 JUPJFHVVNNPZAI-UHFFFAOYSA-N 347.419 2.270 30 40 EEEB N#Cc1cccc(OCCSc2nnnn2Cc2ccco2)c1 48342522 QMYYBKJWCQNPMB-UHFFFAOYSA-N 327.369 2.357 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CC1 3881892 GHIGRDADUISATB-GMKVZWAMSA-N 329.396 2.156 30 40 EEEB biogenic N#Cc1ccc(NCC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cc1 64724649 NQWBBFLOYVXQCO-INIZCTEOSA-N 331.322 2.098 30 40 EEEB CC(C)(C)[C@H](CCO)NS(=O)(=O)c1ccc(C#N)cc1Cl 96001971 XWNIUYVSYMPGTF-ZDUSSCGKSA-N 330.837 2.287 30 40 EEEB Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1C(F)(F)F 7061744 TWQCXAIZGNENCG-UHFFFAOYSA-N 341.318 2.436 30 40 EEEB Cc1nc(N2CCN(c3ncccc3C#N)CC2)cc(C(F)(F)F)n1 603595252 METJPHWPQICJCM-UHFFFAOYSA-N 348.332 2.397 30 40 EEEB C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cccnc1OC 96066781 YWLNQMINKDOXGO-MRXNPFEDSA-N 328.416 2.126 30 40 EEEB CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 96493076 GLECPDHTIFRWSQ-SFHVURJKSA-N 344.434 2.019 30 40 EEEB Cc1ccccc1S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]1CCCO1 69282356 JFTIEHKUWKRGMK-STQMWFEESA-N 327.402 2.224 30 40 EEEB CCn1cc(S(=O)(=O)/N=C(\O)c2cccc3cc[nH]c23)nc1C 95455859 VZKBECOABMHBFI-UHFFFAOYSA-N 332.385 2.386 30 40 EEEB O=C(O)c1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1 96792611 KCLHKESAZANBIX-LCYFTJDESA-N 328.345 2.438 30 40 EEEB CCOC(=O)c1ncc(C(F)(F)F)cc1-n1cc(CCC#N)nn1 1615571601 MWBRKALOFZWBKH-UHFFFAOYSA-N 339.277 2.314 30 40 EEEB Cc1ccc2occ(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c(=O)c2c1 5618987 OSEQKJAITJZJAM-UNJFXATPSA-N 348.358 2.242 30 40 EEEB CC1(C)CCC[C@@](C)(C#CCN2CCN(c3ncccn3)CC2)O1 12402424 RKPPJZDPWBMYNC-IBGZPJMESA-N 328.460 2.340 30 40 EEEB Cc1ccc(NC(=O)/C=N/O[C@H](C)C(=O)Nc2cc(C)on2)cc1 32814260 QWBFVALTLJNHKQ-UDPFGDFPSA-N 330.344 2.260 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)c1ccc(NC(N)=O)cc1 24790528 VNULGHPUZIWEIF-UHFFFAOYSA-N 325.324 2.319 30 40 EEEB Cc1nc(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cs1 56013618 WNZYLKAWRHOMMK-UHFFFAOYSA-N 341.845 2.498 30 40 EEEB Cc1cc(C)nc([C@H](C#N)C(=O)c2ccc(N3CCNC3=O)cc2)n1 76317872 WHRPVNLHFZGMTR-OAHLLOKOSA-N 335.367 2.113 30 40 EEEB C[C@H](Cc1ccco1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 62178113 ALBFAQVFXPMPCL-SNVBAGLBSA-N 331.759 2.491 30 40 EEEB N#Cc1c(Cl)nsc1NC(=O)NS(=O)(=O)c1ccccc1 4106304 XHSPKKLFKAYANH-UHFFFAOYSA-N 342.789 2.179 30 40 EEEB Oc1cccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)c1 5461161 PRMLMPLOUVHPHW-LZYBPNLTSA-N 326.385 2.033 30 40 EEEB C#Cc1cccc(N(CC(=O)N2CCC[C@H](NC(C)=O)C2)C(C)C)c1 69432520 XUDCDZUXAINRJQ-SFHVURJKSA-N 341.455 2.010 30 40 EEEB N#Cc1ccncc1NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 94157138 WSHQKPQPVOMVFP-GOSISDBHSA-N 349.438 2.263 30 40 EEEB C=CCN(Cc1cccc(S(=O)(=O)N(C)C)c1)CC(F)(F)F 71900585 OPGORNGPFQNLOM-UHFFFAOYSA-N 336.379 2.487 30 40 EEEB CN(/C(N)=N/Cc1cc(Br)c2c(c1)OCO2)C1CC1 195559328 DBMGHGXWABRWIJ-UHFFFAOYSA-N 326.194 2.087 30 40 EEEB COc1ccc(OC)c(C=NN2CCN(c3ccccn3)CC2)c1 245241461 FAONJDKDGDEDJA-UHFFFAOYSA-N 326.400 2.255 30 40 EEEB C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 58209400 YHXWTEHCXQUYFT-CYBMUJFWSA-N 337.217 2.356 30 40 EEEB N#Cc1c(F)cccc1NCCNS(=O)(=O)c1cccs1 69366823 QZXPVFDWAKQTSY-UHFFFAOYSA-N 325.390 2.149 30 40 EEEB N#Cc1cc(F)ccc1CSc1nnc(CN2CCCC2=O)o1 69419832 OJCPBIZQOIASFO-UHFFFAOYSA-N 332.360 2.495 30 40 EEEB CC1=C(O)[C@@H]2[C@@H](O)[C@]3(CC[C@H]4[C@H](/C=C(\C)C(=O)[C@@]2(O)C1)C4(C)C)CO3 1560408660 JOBKOEODEPTTPY-YOJDPADBSA-N 348.439 2.281 30 40 EEEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)cc1C 17747164 IPSCQGITTLBKGN-UHFFFAOYSA-N 346.390 2.257 30 40 EEEB C=CCCC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 69445535 RETNWTOIHSTWTN-MRXNPFEDSA-N 348.443 2.160 30 40 EEEB C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc(-n2ccnc2)cc1 20932859 LBCSOFXWTOJBIC-UOEVCUDDSA-N 343.456 2.239 30 40 EEEB Cn1cc(C(=O)NC2CC3(CCN(Cc4cccc(C#N)c4)C3)C2)cn1 108528168 FHWFLSFHYLDITF-UHFFFAOYSA-N 349.438 2.076 30 40 EEEB COc1cccc(C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)n1 79052981 QDTLBISLSLOUHV-ZDUSSCGKSA-N 333.351 2.376 30 40 EEEB Cc1nn(C[C@H](O)COc2ccccc2C(C)C)c(=O)c(C#N)c1C 12766207 CDRGMPMQPOFIGR-HNNXBMFYSA-N 341.411 2.295 30 40 EEEB C#CCOc1ccc(CCNC(=O)N2CCC[C@@H]([C@@H](C)O)C2)cc1 96483253 MJWQVESFLCVQSJ-NVXWUHKLSA-N 330.428 2.044 30 40 EEEB Cc1cc(C)c(C#N)c(SCCn2cc([N+](=O)[O-])ccc2=O)n1 95973604 ASEXBTMLQLPJLO-UHFFFAOYSA-N 330.369 2.432 30 40 EEEB C=CCNC(=O)[C@@H](c1cc(Br)cs1)N1CCOCC1 521299192 LQNPRKICHWJFMV-GFCCVEGCSA-N 345.262 2.186 30 40 EEEB Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)C(F)(F)F)cc1 31910343 JWLWHVNNDMQPLT-DHZHZOJOSA-N 325.294 2.005 30 40 EEEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)c1cc(F)c(F)c(F)c1 78410954 KGAZTBJNMJZHBZ-UHFFFAOYSA-N 347.318 2.148 30 40 EEEB N#CC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 41118357 WLEFFBOHTLPTOL-UHFFFAOYSA-N 329.219 2.373 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(CC4CCOCC4)C3)C2)n1 96047702 BQLAIDRJUWJSRV-MJGOQNOKSA-N 342.443 2.025 30 40 EEEB Cn1cc(CN2CC[C@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)cn1 96218871 DYIABHPWKCEFNE-OALUTQOASA-N 337.427 2.137 30 40 EEEB Cc1nc(C#N)c(N2CCN(C(=O)CSc3cccs3)CC2)o1 96409116 UOBHQZBPKSZALV-UHFFFAOYSA-N 348.453 2.357 30 40 EEEB CSc1nc(O)c(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1C#N 608839117 LSZQMQRXYOXLTA-SNVBAGLBSA-N 343.412 2.124 30 40 EEEB CN(Cc1cnn(-c2ccccc2)n1)C(=O)CNc1ccc(C#N)cc1 58250914 UUFVOMIQYBDRJY-UHFFFAOYSA-N 346.394 2.209 30 40 EEEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)c(F)c1 69284215 JRQIXGFGXSRANP-UWVGGRQHSA-N 349.355 2.194 30 40 EEEB Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)on1 29049710 CNYGODIUOYTLOS-HNNXBMFYSA-N 328.347 2.145 30 40 EEEB C[C@H](NC(=O)c1ccco1)C(=O)OCc1cn2ccccc2c1C#N 32682329 FBGTYWYSZGUXKW-LBPRGKRZSA-N 337.335 2.266 30 40 EEEB C[C@H](NC(=O)NCC#Cc1ccccc1)C(=O)N1CCCC[C@@H]1C 69737757 NIXJXHOTGMMLPG-HOTGVXAUSA-N 327.428 2.127 30 40 EEEB N#Cc1ccnc(N2CCN(Cc3ccn(-c4ccccc4)n3)CC2)c1 58343115 MINRRSWCNRRLBX-UHFFFAOYSA-N 344.422 2.461 30 40 EEEB CS(=O)(=O)Nc1cccc(C(=O)OCc2cc(C#N)ccc2F)c1 11387315 AJFAOUXLNGQMLB-UHFFFAOYSA-N 348.355 2.426 30 40 EEEB Cc1nn(CC(=O)N(Cc2ccccc2)C(C)C)c(=O)c(C#N)c1C 19299339 KFTHXPIHDLWKTF-UHFFFAOYSA-N 338.411 2.169 30 40 EEEB C=C(C)CN1CCN(c2nc3sc4c(c3c(=O)n2C)CCC4)CC1 9134640 ZIPZDUHPNFMRRK-UHFFFAOYSA-N 344.484 2.182 30 40 EEEB COC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2C#N)c1 8183682 GKQRUOOGYDKORI-UHFFFAOYSA-N 330.365 2.287 30 40 EEEB N#Cc1ccc(CCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 71916167 XYOFPMYCAQIVQB-UHFFFAOYSA-N 349.316 2.144 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)c4ccoc4)C3)C2)n1 96047693 CJPUDKTZFDJTBL-MAUKXSAKSA-N 338.367 2.032 30 40 EEEB CNC(=O)[C@@]1(COC)CCCN1Cc1ccccc1C(C)(C)C#N 591647279 SAGPYCQPRZSBKI-IBGZPJMESA-N 329.444 2.215 30 40 EEEB N#Cc1ccc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)cn1 2298051628 OSSLDWVXOHYWAU-UHFFFAOYSA-N 348.410 2.023 30 40 EEEB COC(=O)[C@]1(C(F)(F)F)N=C(N(C)C)OC2=C1C(=O)CC(C)(C)C2 40284248 VQYUYESBTVQVSX-CQSZACIVSA-N 348.321 2.052 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2ccc(Cl)cc2)c1 31805112 VSSXFQUERKZCNC-UHFFFAOYSA-N 330.727 2.043 30 40 EEEB C[C@@H]1CN(/C=N\N=C/c2ccco2)CCN1/C=N/N=C/c1ccco1 104098885 FWRLLHIAUFXBGW-FEGJVLMWSA-N 340.387 2.303 30 40 EEEB COc1ccc(CCNC(=O)/C(=N/O)c2ccccc2)cc1OC 12390713 ICSWYDYATYFRKD-LVZFUZTISA-N 328.368 2.241 30 40 EEEB O=C1C(=CNNC=C2C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 101463086 YAGSYGSREOLJDU-UHFFFAOYSA-N 344.326 2.007 30 40 EEEB Cc1n[nH]c([C@H]2CN(Cc3cc(Cl)ccc3OCC#N)CCO2)n1 78892411 JXRFSQMPUAWWCY-OAHLLOKOSA-N 347.806 2.242 30 40 EEEB Cc1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)[nH]n1 65564957 LHXCMETZKBJNHX-UHFFFAOYSA-N 332.385 2.048 30 40 EEEB N#CCN1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 96496455 FPXVWLDDQCVICA-STQMWFEESA-N 329.297 2.186 30 40 EEEB CN(C)C(=O)c1cccc(CNc2ncnc3c2cnn3CCC#N)c1 97200399 WSJRMSGJZRZUGS-UHFFFAOYSA-N 349.398 2.054 30 40 EEEB C#CCN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 60560755 CDWNSBXFHMEINL-LLVKDONJSA-N 346.235 2.256 30 40 EEEB CC1(C)CC[C@](CCC#N)(C2N3CC4(C)CN2CC(C)(C3)C4=O)CO1 28444224 WUANCVZHHKDISD-GXVYMARFSA-N 345.487 2.418 30 40 EEEB CCN(CC)c1ccc(/C=N\NS(=O)(=O)c2ccc(N)cc2)cc1 31623496 ACVIFLYBODRLPE-UYRXBGFRSA-N 346.456 2.427 30 40 EEEB N#Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1 538766546 WDLIKWQCKQGKBQ-MLGOLLRUSA-N 329.306 2.180 30 40 EEEB C[C@H](C#N)CNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl 611616631 BNKBILCGIZIUSW-SECBINFHSA-N 328.763 2.334 30 40 EEEB N#C[C@@H](C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccn1 66507105 VIBYLVXZAJDKHZ-DOTOQJQBSA-N 348.406 2.273 30 40 EEEB COCCCNc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]2C[C@@H]21 1615051198 XONAUNFXERPKIV-HOCLYGCPSA-N 349.456 2.180 30 40 EEEB C=CCOc1ccc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC 17043952 URCAVGOUMSWAGQ-GFCCVEGCSA-N 341.367 2.126 30 40 EEEB C=CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)CCO[C@@H]3C2)cc1 1565547522 JTAGUSWONFBTOC-SJLPKXTDSA-N 330.428 2.044 30 40 EEEB C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 12421454 KJIFNSITQOVFSQ-LPHOPBHVSA-N 334.435 2.127 30 40 EEEB N#Cc1ncccc1N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974507 IFUCCUMPVZOUQD-UHFFFAOYSA-N 347.353 2.377 30 40 EEEB CNS(=O)(=O)Cc1ccccc1CNc1nc(C)cc(C)c1C#N 40493216 MPUSJZPRROAOLF-UHFFFAOYSA-N 344.440 2.231 30 40 EEEB C[C@H]1C[C@H]1C(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1 89920431 RMLHQJLNMIRZPX-MAUKXSAKSA-N 327.428 2.127 30 40 EEEB N#Cc1ccnc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 29522011 FWCOUQVWSJZMCO-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB Cc1cnn(C[C@H](C)NCC(=O)Nc2sc3c(c2C#N)CCC3)c1 69493543 PWULHJHNDSFKOW-LBPRGKRZSA-N 343.456 2.230 30 40 EEEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(O)cc4)cnc3c2c1 500925 RRGSTXKILIHSBT-AWQFTUOYSA-N 334.335 2.474 30 40 EEEB O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1cc[n+]([O-])cc1 103442392 RSDSLNCLHLKYJV-DYTRJAOYSA-N 330.347 2.205 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccccn4)C3)C2)n1 107728731 QSNYGAQTCLOBFJ-IEBWSBKVSA-N 335.411 2.194 30 40 EEEB CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 107323755 BFBJVSASPVLDPU-UNEWFSDZSA-N 335.473 2.269 30 40 EEEB C=C(C)CN1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 61966148 MZWKOPLGUVQJLG-UHFFFAOYSA-N 348.472 2.061 30 40 EEEB C=CCN1C(=O)/C(=C\c2cc(C)n(CCOC)c2C)C(O)=NC1=S 17208322 UGKHROOPTYBWEM-UVTDQMKNSA-N 347.440 2.404 30 40 EEEB C/N=C1/S/C(=C/C(=O)OC)C(=O)N1CCc1c[nH]c2ccccc12 5274639 MKULSXGGKRFSKI-CFYUHYMKSA-N 343.408 2.329 30 40 EEEB N#Cc1cccc(C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c1 65585259 ORLUVXYSPXQMEO-KRWDZBQOSA-N 345.362 2.391 30 40 EEEB Cn1c(SCC(=O)Nc2sccc2C#N)nnc1C(F)(F)F 6452551 UOLPRMHXHDHYET-UHFFFAOYSA-N 347.347 2.498 30 40 EEEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccccc3F)c(=O)n2c1 6809465 ZJJDQGHLKYGBKE-UHFFFAOYSA-N 346.321 2.318 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N\Cc3ccccc3)C2=O)c1 408526508 CMOMWYWFPLAKST-DEFALTHMSA-N 335.363 2.465 30 40 EEEB CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)c2ncccc2C#N)C1 97085625 UICUBQQHRHZKST-UKRRQHHQSA-N 328.416 2.201 30 40 EEEB CN1CCN(Cc2ccc(C(=O)N(CC#N)C3CCCC3)cc2)CC1 74680237 HCCNFWWMSVMOOF-UHFFFAOYSA-N 340.471 2.342 30 40 EEEB COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(N)C[C@H]1C)C2=O 524729734 HFMRUGXSVZNZNZ-QZTNRIJFSA-N 337.759 2.123 30 40 EEEB biogenic CN1C[C@H](O)[C@H]2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)[C@H]2C1 4273416 KOHMZZHVNVAGOM-QRFRQXIXSA-N 340.467 2.437 30 40 EEEB biogenic COc1ccc(C(=O)O)c(NS(=O)(=O)c2cccc(CC#N)c2)c1 619462226 RLTHXBZCZXSPTK-UHFFFAOYSA-N 346.364 2.260 30 40 EEEB Cc1nn(Cc2cc(=O)oc3cc4c(cc23)CCC4)c(=O)c(C#N)c1C 27944723 HEHSUBKMMVFVEX-UHFFFAOYSA-N 347.374 2.375 30 40 EEEB C=CCN1CC2=C(C1=O)[C@H](c1ccc(Br)cc1)NC(=O)N2 7991010 RCBCZQLPDWILLA-ZDUSSCGKSA-N 348.200 2.085 30 40 EEEB C[C@H]1CN(C(=O)CCNc2snc(Cl)c2C#N)C[C@H](C)O1 52445516 CLBCJDPCTBJHOC-IUCAKERBSA-N 328.825 2.106 30 40 EEEB CCN(CC)C(=O)[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N 32925700 GSLTXINPRAJQMB-GFCCVEGCSA-N 342.399 2.237 30 40 EEEB CC[C@@H](c1nnc(SCC(=O)N[C@](C)(C#N)C(C)C)o1)N(C)C 3332126 DMDJTTAZDUTRCJ-XHDPSFHLSA-N 339.465 2.229 30 40 EEEB C[C@@H](NC(=O)OC(C)(C)C)/C(O)=N/S(=O)(=O)c1ccccc1 48406043 RMCBKASJGFVUQG-SNVBAGLBSA-N 328.390 2.245 30 40 EEEB COc1cc(/C=C/C(=O)c2c(C)nc(C)[nH]c2=O)cc(OC)c1O 13005441 AXKPXRACUZFYNX-AATRIKPKSA-N 330.340 2.006 30 40 EEEB C=CCOc1ccc(Br)cc1[C@@H]1CC(=O)N=C2N=CNN21 409375027 DIIUFSDQXHIIKY-NSHDSACASA-N 349.188 2.190 30 40 EEEB C=CCNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 65588685 GNBZKJVIRLZXGT-UHFFFAOYSA-N 328.416 2.281 30 40 EEEB Cc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)NCC#N 65513998 LMCTTYNWNYVIGI-UHFFFAOYSA-N 349.456 2.250 30 40 EEEB O=C(NCC#CCN1CCOCC1)Nc1cccc(C(F)(F)F)c1 75164924 UIBMDQDXGVBNLA-UHFFFAOYSA-N 341.333 2.163 30 40 EEEB CCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1ccccc1 226053788 YUVADUVBUKFWIO-UHFFFAOYSA-N 343.408 2.208 30 40 EEEB O=C1CN(/N=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)C(=O)N1 36843907 MXDXLDYTJISJOI-AYSLTRBKSA-N 326.139 2.307 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)c1 24202219 CIQWRRQEDAOKTE-UHFFFAOYSA-N 334.339 2.060 30 40 EEEB Cc1ccc(N2NC(=O)/C(=C\c3ccccc3OCC#N)C2=O)cc1 59475171 RQLPMHNRMPBHQP-FOWTUZBSSA-N 333.347 2.359 30 40 EEEB N#C[C@H](C(=O)c1ccc(OCC2CC2)cc1)C(=O)N1CCSCC1 102759065 TWNYAUIRMFJJHQ-MRXNPFEDSA-N 344.436 2.373 30 40 EEEB CS(=O)(=O)c1nc2ccccc2n1CCOc1cccc(C#N)c1 58326876 BOCZCMXQPCSRID-UHFFFAOYSA-N 341.392 2.390 30 40 EEEB COc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)c(OC)c1 48599818 PDRREUKZZBKBAW-UHFFFAOYSA-N 346.364 2.269 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(O)/C=C/c2c(F)cccc2F)cn1 48676332 RSTZYDFZDHJLKC-AATRIKPKSA-N 327.312 2.057 30 40 EEEB CCCCCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2 13510040 SVCBUTCZEHFCFY-UHFFFAOYSA-N 343.475 2.380 30 40 EEEB N#CCCn1ncc2c(NC[C@H](O)c3ccccc3F)ncnc21 65534391 VTUDYXNCRUFMPO-AWEZNQCLSA-N 326.335 2.025 30 40 EEEB OC(C#C[C@]1(O)CN2CCC1CC2)(c1ccccc1)c1ccccc1 5370660 ASIPGOGFAUZXMX-NRFANRHFSA-N 333.431 2.383 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(=O)Nc2ccccc21 71914036 YPERSIZPNWXWFG-UHFFFAOYSA-N 341.392 2.404 30 40 EEEB CN(Cc1nnn(CC#Cc2ccc(F)cc2)n1)C(=O)c1ccccc1 95429654 ULHLBZZKEFHCNJ-UHFFFAOYSA-N 349.369 2.136 30 40 EEEB Cc1cc(C)n(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)c1C#N 409412509 QWXSJTWOLAOGHT-UHFFFAOYSA-N 344.302 2.023 30 40 EEEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C 217438964 NVLPGAHFIWBMRB-UHFFFAOYSA-N 326.418 2.307 30 40 EEEB COC[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1c1cnn(C)c1 585655559 YXHGWSXHIMGQQC-IRXDYDNUSA-N 328.391 2.293 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 57114536 OMYKQUJUNOTAIN-HKUYNNGSSA-N 325.456 2.117 30 40 EEEB C#CCn1cc(CN(C)CC2CCN(C(=O)C(C)(C)C)CC2)cn1 160273615 ZLVLDOXBMKFLJP-UHFFFAOYSA-N 330.476 2.233 30 40 EEEB O=C(C#Cc1ccccc1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 155196237 GIGNENODDXARDQ-VQTJNVASSA-N 335.403 2.389 30 40 EEEB Cc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 11905447 KJCBTEYULGYUNC-UHFFFAOYSA-N 346.437 2.231 30 40 EEEB C=CCN1CCO[C@H]2CN(C(=O)c3ccc(COC)cc3)CC[C@H]2C1 1565551386 DHYOZZBTDATIJI-OALUTQOASA-N 344.455 2.182 30 40 EEEB Cn1cnc2cc(C(=O)[C@H](C#N)C(=O)NCc3ccccc3)ccc21 101989250 DOLMSWAZPREHNW-HNNXBMFYSA-N 332.363 2.212 30 40 EEEB N#Cc1ccc(F)c(COC(=O)c2ccc(N3CCOCC3)nc2)c1 21592311 RESCEBRJHSSQEO-UHFFFAOYSA-N 341.342 2.286 30 40 EEEB C=CCNC(=O)[C@H](C)OC(=O)c1cnn(Cc2ccccc2Cl)c1 32850602 URGODYGPCALARA-LBPRGKRZSA-N 347.802 2.432 30 40 EEEB COc1ccc(CN2CCN(CCCC#N)CC2)c(OC)c1OC 22808013 ITOKWVWMYPIVBT-UHFFFAOYSA-N 333.432 2.134 30 40 EEEB N#Cc1ccc(F)c(CN2CCC[C@@H]2C(=O)NCC(F)(F)F)c1 54991761 SCVWIAIGKCKKKR-CYBMUJFWSA-N 329.297 2.340 30 40 EEEB N#Cc1nccnc1NC[C@H](O)COc1cccc(C(F)(F)F)c1 69699354 UWTVNCSOQKHZOE-NSHDSACASA-N 338.289 2.219 30 40 EEEB CCN1CCN(c2oc(-c3ccc(OC)c(OC)c3)nc2C#N)CC1 5177654 GGBUQTRAPILSTC-UHFFFAOYSA-N 342.399 2.372 30 40 EEEB Cc1csc([C@H]2CN(CC(=O)Nc3sccc3C#N)CCO2)n1 65474248 NUVCCSOEYWVCCV-GFCCVEGCSA-N 348.453 2.397 30 40 EEEB COC(=O)CCn1c(SCCCC#N)nc2ccccc2c1=O 7938471 AWXLTLHZDADRSC-UHFFFAOYSA-N 331.397 2.355 30 40 EEEB N#Cc1cccc(OCCN2CCCN(c3ncccc3C#N)CC2)c1 71824887 VTPFWHAALXEAPK-UHFFFAOYSA-N 347.422 2.416 30 40 EEEB COc1ccc(CC/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)cc1 71892468 MQCSDHDUAIVDAN-HNNXBMFYSA-N 341.429 2.483 30 40 EEEB C[C@](C#N)(NC(=O)CN1CCC[C@@H]1COc1ccccc1)C1CC1 79090824 JQZHPILZXPSPNG-VQIMIIECSA-N 327.428 2.338 30 40 EEEB CS(=O)(=O)c1ccc(CCNc2nc3ccccn3c2C#N)cc1 97082554 VHSDHMCRPUYHDF-UHFFFAOYSA-N 340.408 2.264 30 40 EEEB c1cc2c(cc1CN/C(=N/C[C@H]1CCCO1)NC1CC1)OCCCO2 72746382 XGFDCZRBZBFPTB-MRXNPFEDSA-N 345.443 2.225 30 40 EEEB C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CC#N 95439645 UGIRBKPDVFKCBX-UHFFFAOYSA-N 347.209 2.430 30 40 EEEB C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)C 95987359 KPMJOBDCAXGXBM-GJZGRUSLSA-N 348.516 2.481 30 40 EEEB C=CCOc1ccc2ccccc2c1C=C1C(=O)NC(=S)NC1=O 408875182 GTZCLCHWLWDULJ-UHFFFAOYSA-N 338.388 2.319 30 40 EEEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 409096676 KOXVVGLJNPMKPO-LZYBPNLTSA-N 347.287 2.448 30 40 EEEB Cc1ccc2cc(C#N)c(NCCCNC(=O)c3cnccn3)nc2c1 35315823 JRJOZBHYWXXTGB-UHFFFAOYSA-N 346.394 2.437 30 40 EEEB N#Cc1ccc(F)c(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 96441682 RACSIXJBTKOLKG-QGZVFWFLSA-N 345.418 2.301 30 40 EEEB C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCCNc1ncccc1C#N 96407499 HUUOJTJSPLEEQA-YCPHGPKFSA-N 330.432 2.465 30 40 EEEB CN1CCC(CN(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 96427920 YHXWFOZBVVSCSC-UHFFFAOYSA-N 341.864 2.174 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccncc4)C3)C2)n1 96047685 UTBCJBAQCXVQNV-PKOBYXMFSA-N 335.411 2.194 30 40 EEEB Cc1cnccc1CCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 96503105 PPVZIUORQDXNPA-UHFFFAOYSA-N 336.395 2.277 30 40 EEEB Cn1cc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)cn1 245343811 VUGFDPYXBXMAHW-JYJNAYRXSA-N 346.394 2.196 30 40 EEEB CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 253532653 JZEZLAAJRKPOFM-FIKWLIQHSA-N 346.467 2.377 30 40 EEEB biogenic,in-vitro COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C#N 4847018 IMHTXEKVADQUGW-UHFFFAOYSA-N 327.296 2.493 30 40 EEEB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC1(C#N)CCCCC1 6370852 JSFVVHGNCXMDJH-LBPRGKRZSA-N 340.383 2.451 30 40 EEEB C=CCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(C)cc1 326213 WXMHBJMDNLZCNA-UHFFFAOYSA-N 349.412 2.107 30 40 EEEB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1(C#N)CCCC1 20962389 RFSQPVXQRROJRC-UHFFFAOYSA-N 335.429 2.268 30 40 EEEB CC[C@@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 33024021 XBABMEKOHSQCBE-CYBMUJFWSA-N 325.416 2.421 30 40 EEEB COc1ccc2nc(Nc3nc(C)c(CC#N)c(=O)[nH]3)nc(C)c2c1 20673275 YNZRYAAOWXPGGD-UHFFFAOYSA-N 336.355 2.148 30 40 EEEB C[C@H](NC(=O)CNc1ccc(Cl)c(C#N)c1)C(=O)N1CCCCC1 95417933 XKAGQJVQFQHYCN-LBPRGKRZSA-N 348.834 2.141 30 40 EEEB O=S(=O)(/N=C(\O)c1ccoc1)c1cnn(-c2ccccc2F)c1 96442739 IANJLPXJONKJMS-UHFFFAOYSA-N 335.316 2.298 30 40 EEEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cc(C)nn1CC)C2 96039745 IUGYMXLQVXCBSK-PKOBYXMFSA-N 347.459 2.425 30 40 EEEB C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)N(C)C 69591169 BQBYUIUHJMUOAW-CYBMUJFWSA-N 327.384 2.410 30 40 EEEB COc1ncccc1/C(O)=N/S(=O)(=O)c1cc(C)sc1C 93247158 OYGPHWUTZPUYOY-UHFFFAOYSA-N 326.399 2.462 30 40 EEEB Cc1cc(C)n(C[C@H]2CCCCN2CC(=O)N[C@@](C)(C#N)C2CC2)n1 70019125 PFJSEDKJZUENGZ-MJGOQNOKSA-N 343.475 2.163 30 40 EEEB Cc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1 422300 HIUIQYGCAKNRDR-UHFFFAOYSA-N 327.409 2.366 30 40 EEEB N#CC1(NC(=O)CSc2ncn(-c3ccccc3)n2)CCCC1 11941211 OJWMWOMNXMJEFD-UHFFFAOYSA-N 327.413 2.312 30 40 EEEB CCN1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100975450 DTPYHMMLESKNMU-AQUFRFDZSA-N 332.834 2.369 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 65539006 ZODINPMXJURKOG-APWZRJJASA-N 342.464 2.411 30 40 EEEB C=C(C)COc1cccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)c1 67320550 DCCRPWYIIPPUHG-CYBMUJFWSA-N 338.429 2.198 30 40 EEEB COC(=O)c1ccc(OCC(=O)Nc2sccc2C#N)c(OC)c1 16655066 CFLSEWDMJLJHTD-UHFFFAOYSA-N 346.364 2.432 30 40 EEEB Cn1cc([C@H]2CCCN2CC(=O)N(CCC#N)Cc2ccco2)cn1 71799338 GLCJSEFFILNQGB-QGZVFWFLSA-N 341.415 2.092 30 40 EEEB C[C@](C#N)(CCc1ccccc1)NC(=O)CS(=O)(=O)C1CCCC1 71896430 LOVJIPAICADKBH-GOSISDBHSA-N 348.468 2.375 30 40 EEEB CCOc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 408586437 CCCVOWYDVDEWTM-JMSPULETSA-N 336.391 2.472 30 40 EEEB Cc1noc(C)c1CN1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 97379701 XJRDJOSEDCDHOU-UHFFFAOYSA-N 341.371 2.394 30 40 EEEB C=C[C@@](C)(CCOC)C(=O)NCc1csc(-c2ccn(C)n2)n1 1596018750 CCEPWAZRAFSACD-INIZCTEOSA-N 334.445 2.389 30 40 EEEB COC(=O)CCCCS(=O)(=O)Oc1ccc(C#N)cc1Cl 1615585675 KWDFNPRNNRAUJA-UHFFFAOYSA-N 331.777 2.264 30 40 EEEB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2cc(C#N)ccn2)C1 298588543 HPDKIDHIVNVWRD-JSGCOSHPSA-N 347.440 2.236 30 40 EEEB N#C[C@@H](NC(=O)CCc1ccc(Br)cc1)[C@H]1CCOC1 97212860 BHPCMALVRLRCQY-GXTWGEPZSA-N 337.217 2.427 30 40 EEEB CC/N=C(/NCC)S[C@@H]1CC(=O)N(c2ccccc2OC)C1=O 100056448 XTCXIJHFRYPPQR-CYBMUJFWSA-N 335.429 2.046 30 40 EEEB C[C@H](c1ccccc1)N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N 11904243 ULBVILPRMQFVRX-GFCCVEGCSA-N 346.390 2.196 30 40 EEEB CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)OCC(F)(F)F)s1 58140645 VODADXPEXUNQOI-LURJTMIESA-N 331.337 2.213 30 40 EEEB C=CCOc1ccc(C(=O)N[C@@H](C)CN2CCCC2=O)cc1OC 58378970 URGHDFDKORSKSD-ZDUSSCGKSA-N 332.400 2.001 30 40 EEEB C#CCOc1ccc(CCNC(=O)c2ccnc(-n3ccnc3)c2)cc1 58332784 URCSGFCMTCSZTC-UHFFFAOYSA-N 346.390 2.252 30 40 EEEB Cc1cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n(CCC#N)n1 58316267 FNPBZJGGLOXYDE-AWEZNQCLSA-N 345.447 2.328 30 40 EEEB COc1ccc(CC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1 4953361 LOKAMPAUSBZGRO-UHFFFAOYSA-N 343.339 2.204 30 40 EEEB CCOCCC/N=C(/NCc1nncn1-c1ccccc1)NC(C)C 71905180 BPBNZKZMMKYURG-UHFFFAOYSA-N 344.463 2.138 30 40 EEEB CC/N=C(/NCc1ccon1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 95410942 DQGGTLYMJWXDLN-CQSZACIVSA-N 349.385 2.287 30 40 EEEB Cn1ccc2ccc(NS(=O)(=O)c3ccccc3C#N)cc2c1=O 330032349 MEWRQUPTEAIWDH-UHFFFAOYSA-N 339.376 2.211 30 40 EEEB C[C@@](C#N)(NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)C1CC1 34868292 HHRKKTNZAXXJOS-SFHVURJKSA-N 346.862 2.270 30 40 EEEB Oc1c(Br)cc(Br)cc1/C=N/n1cnnc1 28590 FSAFQDYFUJMDCZ-LZWSPWQCSA-N 345.982 2.391 30 40 EEEB C=CCOc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1 20358244 ZIECMXUXRWOXML-SSZFMOIBSA-N 343.452 2.469 30 40 EEEB COC1(NS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C 52796 SXULOLJRLXLCKZ-UHFFFAOYSA-N 341.816 2.436 30 40 EEEB N#Cc1ccc(CCC(=O)N2CCN(Cc3cscn3)CC2)cc1 55436192 GOFBBWVDCXMXRS-UHFFFAOYSA-N 340.452 2.292 30 40 EEEB COC(=O)[C@@H](C)CN(CC(=O)N(C)C(C)(C)C#N)Cc1ccccc1 58394350 DWDDDSGHCNUMRN-HNNXBMFYSA-N 345.443 2.058 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccncc2)n1C 3342571 KRXKYWVWZWWBTG-INIZCTEOSA-N 344.444 2.024 30 40 EEEB Cc1ccccc1N/N=C1\C(=O)N(C(N)=S)N=C1c1ccccc1 6557035 AFPBCLINQKEIJG-HKWRFOASSA-N 337.408 2.253 30 40 EEEB N#Cc1ccccc1COc1ccc(C(=O)N2CCNC(=O)CC2)cc1 65902260 SNAHPYCSGFONBD-UHFFFAOYSA-N 349.390 2.099 30 40 EEEB COc1ccccc1-n1c(N)c(C#N)c2c(c1=O)COC(C)(C)C2 6662231 XFEHBIQZCHFBKB-UHFFFAOYSA-N 325.368 2.151 30 40 EEEB CC(=O)N1NC(=N)/C(=N\Nc2ccc(Cl)c(C(F)(F)F)c2)C1=N 5830659 JAVMYLFZAAIZKO-KOOQCRTASA-N 346.700 2.448 30 40 EEEB Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)no1 69485004 OUKGCZFHCQPEDB-CQSZACIVSA-N 342.380 2.009 30 40 EEEB C#CCNC(=O)CNC(=O)c1cc(-c2ccc(F)cc2)c(C)s1 97013758 GTFDRTKKUZQOCV-UHFFFAOYSA-N 330.384 2.342 30 40 EEEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(c2cn[nH]c2)CC1 97203116 BGOYQLAGDDVSPQ-AWEZNQCLSA-N 329.448 2.320 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC(=O)c2ccccc21 95996948 NZZNEKOZAGLEAI-HNNXBMFYSA-N 326.377 2.473 30 40 EEEB C=CCSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 40570297 YHLXJDKVAFGWBB-UHFFFAOYSA-N 331.397 2.280 30 40 EEEB CCCN(C)S(=O)(=O)/N=C(\O)c1ccn(Cc2ccccc2)c1 96500837 JZMWFWUTTQCWHF-UHFFFAOYSA-N 335.429 2.428 30 40 EEEB Cc1nccc(N/C(O)=N/C2CCN(Cc3ccccn3)CC2)n1 330154105 NGFSNLHVGYNRSE-UHFFFAOYSA-N 326.404 2.171 30 40 EEEB Cc1csc(N2CCCN(c3nnc(C)c(C)c3C#N)CC2)n1 57148426 DFYAWTWRCMLHBN-UHFFFAOYSA-N 328.445 2.447 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1cccc(F)c1 4625906 FKAMLHUDPPRLSO-HNNXBMFYSA-N 329.331 2.076 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)c1 69493674 BYIDWJPBWDIVCE-QGZVFWFLSA-N 348.406 2.168 30 40 EEEB Cc1nnc(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)o1 58267992 IIIKXHNGDYUVLY-UHFFFAOYSA-N 338.289 2.383 30 40 EEEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)Cc1ccc2c(c1)CCO2 48491110 LDADJNGOYOVPDF-UHFFFAOYSA-N 336.369 2.114 30 40 EEEB N#C[C@@H](C(=O)NC[C@H]1CCCO1)C(=O)C1(c2ccc(F)cc2)CCC1 48977142 WQFGDMUDALDISQ-HZPDHXFCSA-N 344.386 2.251 30 40 EEEB Cn1cc(C#N)c(NC(=O)Cc2cccc(OCc3cccnc3)c2)n1 92441625 TUGLNCGTLOIKKA-UHFFFAOYSA-N 347.378 2.447 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nccn2C)nn1C 97113555 KXCJUGBYUFRGIF-UHFFFAOYSA-N 349.398 2.356 30 40 EEEB CC/N=C(/NCC(C1CC1)C1CC1)N1CC[C@H](CN2CCOCC2)C1 86535988 QNMFDMAYIWVJOF-MRXNPFEDSA-N 348.535 2.042 30 40 EEEB N=C(N/N=C/c1ccco1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 15961611 AWANKLNKBFFQQV-HVOBPNNYSA-N 342.380 2.203 30 40 EEEB CC(C)c1nc(N2CC(N(C)c3ccc(C#N)nc3)C2)nc(O)c1F 1888873129 XJHHOAYHSRDJSQ-UHFFFAOYSA-N 342.378 2.036 30 40 EEEB CN1CCN(CN2C(=O)/C(=N\Nc3ccccc3)c3ccccc32)CC1 100912347 XKQQYXUSSLZFDZ-QOCHGBHMSA-N 349.438 2.054 30 40 EEEB Cc1cc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)on1 52007708 FJXVAOSUSAURFH-DOTOQJQBSA-N 327.384 2.432 30 40 EEEB N#Cc1c(CCCNc2cnc3cc(F)c(F)cc3n2)n[nH]c1N 69774366 MCNNIFCVHHTOSP-UHFFFAOYSA-N 329.314 2.130 30 40 EEEB C#CCNC(=O)c1oc2ccccc2c1CSc1nccc(=O)[nH]1 58341453 GLUBXGFDADUYDH-UHFFFAOYSA-N 339.376 2.171 30 40 EEEB C=CCNC(=O)C1(NC(=O)c2c[nH]c3ncccc23)CCCCC1 69520885 JKYPPQVFYMHOLY-UHFFFAOYSA-N 326.400 2.298 30 40 EEEB N#Cc1ccc(OCCCN2CCC[C@H](Cn3cncn3)C2)cc1 69893826 OUKBBTVMJPTKDW-KRWDZBQOSA-N 325.416 2.331 30 40 EEEB COc1cccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 6753074 XPMSTLLTHBXXNX-UHFFFAOYSA-N 334.379 2.299 30 40 EEEB N#CCCCCN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95999725 HMOPESJCVWNRPI-IBGZPJMESA-N 340.471 2.493 30 40 EEEB C=CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 408550415 DQXXAXQZZAIHBY-UHFFFAOYSA-N 346.408 2.412 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1/C=N\Cc1ccccc1 408527037 JEBVXGUABFDSGQ-GHOUAXAESA-N 339.326 2.296 30 40 EEEB CN(C(=O)c1ccc(F)cc1Cl)C1CN(c2nccnc2C#N)C1 1775973164 JFXXFPXUIDTKKP-UHFFFAOYSA-N 345.765 2.102 30 40 EEEB O=C(/C=C/c1c(O)c2cccnc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1 5589288 AYVYIBTUNPRRMM-BQYQJAHWSA-N 337.291 2.433 30 40 EEEB N#Cc1ccc(CN2CCN(c3nc(O)cc(C4CC4)n3)CC2)cc1 1888866507 XQYIVGMOIIIYGK-UHFFFAOYSA-N 335.411 2.253 30 40 EEEB CCc1nnsc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 31400257 CFMZAFVMIPIZPB-UHFFFAOYSA-N 345.403 2.074 30 40 EEEB C=C(C)C[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4028906 IDZVBZRLNMBRMS-GMKVZWAMSA-N 325.364 2.392 30 40 EEEB biogenic CCOc1ccc(Cl)c(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)n1 103717398 FESCDZJMJOTIHR-SNVBAGLBSA-N 344.758 2.490 30 40 EEEB C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1OC 12419215 UDVLKJNJJVBBQX-JTQLQIEISA-N 329.381 2.220 30 40 EEEB CCNC(=O)CO/N=C(/N)c1ccc(COc2ccccc2F)cc1 58025225 WBAJUJFUFMZOCU-UHFFFAOYSA-N 345.374 2.178 30 40 EEEB COC(=O)CCNC(=O)c1ccc(COc2ccccc2C#N)o1 48185962 NXMLSEWXKQEXEX-UHFFFAOYSA-N 328.324 2.023 30 40 EEEB Cc1nnc(NC[C@@H]2CCc3nnc(C(C)C)n3C2)c(C#N)c1C 69923024 FBCBHDSRNURXEC-ZDUSSCGKSA-N 325.420 2.355 30 40 EEEB CN(C)/C(N)=N/C[C@@H]1CCN(c2cccc(Br)c2)C1 170910569 UFZGQJXMWLTZRT-NSHDSACASA-N 325.254 2.152 30 40 EEEB Cc1ccn(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(=O)c1C#N 97141191 ABYLSFWDQGZBAW-UHFFFAOYSA-N 337.295 2.035 30 40 EEEB N#Cc1ccc(S(=O)(=O)N[C@@H](CO)c2ccccc2)cc1Cl 89826381 CSHYLULTXWGRDD-HNNXBMFYSA-N 336.800 2.224 30 40 EEEB C#CCn1/c(=N\C(=O)c2cnccn2)sc2cc(F)cc(F)c21 38875749 KKMFEFZACQBREO-HMMYKYKNSA-N 330.319 2.145 30 40 EEEB CN1C[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)Cc2ccccc21 585128443 BJTDTNUFQPJBHD-RTBURBONSA-N 344.418 2.418 30 40 EEEB COc1cccc(S(=O)(=O)/N=C(\O)c2ccnc(Cl)c2)c1 58187959 WSUUEGOFYNCVTR-UHFFFAOYSA-N 326.761 2.437 30 40 EEEB N#Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 12814752 DASVECDMRNYDHN-UHFFFAOYSA-N 330.347 2.416 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N1CCC(N(C)C(C)=O)CC1 69703648 MLEACTOILRFILA-UHFFFAOYSA-N 344.415 2.432 30 40 EEEB N#CCCN1CCN([C@H](C(=O)O)c2c[nH]c3cccc(Cl)c23)CC1 20725486 PYSKRYZIAWMFDU-INIZCTEOSA-N 346.818 2.478 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccccc1 6050215 OYPZSBWRPLJXBY-CYBMUJFWSA-N 337.379 2.264 30 40 EEEB C/C(CCC(C)C)=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 5020165 HIGCHVZJHGVARA-XNTDXEJSSA-N 328.394 2.466 30 40 EEEB C/C=C/C=C/C(=O)[C@@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 78729551 FJHLPDANTOHKEJ-CDNPFWBMSA-N 347.440 2.421 30 40 EEEB CC/N=C(/NCc1ccnc(C)n1)N(C)CCOc1ccccc1F 95959971 COQQFFQYUZZCAN-UHFFFAOYSA-N 345.422 2.400 30 40 EEEB N#C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)CCN1Cc1ccccc1 74673127 ABZOTZCHWWBLHM-QUCCMNQESA-N 347.418 2.227 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)cc1Cl 95432056 DJXZBUNQDIMKBP-OAHLLOKOSA-N 335.816 2.190 30 40 EEEB C[C@@H](NC(=O)COc1ccccc1C#N)[C@@H](O)c1ccc(F)cc1 95430030 JYRKWVDNWUJBLU-KZULUSFZSA-N 328.343 2.314 30 40 EEEB N#Cc1ccc(N2CCN(Cc3nnc(C4CC4)o3)CC2)c(F)c1 58332832 JEFGFDUSOUZXDV-UHFFFAOYSA-N 327.363 2.280 30 40 EEEB O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCCO3)Nc1nonc1N2 12409450 QIJWUMSUQZHLKF-OAHLLOKOSA-N 340.339 2.427 30 40 EEEB N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=O)N3 103314330 QFRCSMYVSDZNDF-PDWMJMLSSA-N 332.363 2.318 30 40 EEEB C=CCS(=O)(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1COc1cccc(OC)c1 100112491 GDFMOYYTKCYUAD-CPUCHLNUSA-N 337.441 2.443 30 40 EEEB Cc1cccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)c1 13896079 NKDLKPSKPOFNDI-HKWRFOASSA-N 337.408 2.253 30 40 EEEB COC[C@@H](C)n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O 14165155 JXIBCKYTXRLEQK-GFCCVEGCSA-N 326.352 2.172 30 40 EEEB C[C@H](NC(=O)NCc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C 71924626 KFEJHVHKFIEJOM-KBPBESRZSA-N 328.416 2.147 30 40 EEEB Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C)c(C)c3C#N)C2)n1 72276474 BGYQJQUFABJUNB-OAHLLOKOSA-N 325.420 2.090 30 40 EEEB C=CC/N=C(\NCC=C)NCc1ccc(N2CCOCC2)c(F)c1 75583385 YOZBVASUYYAKID-UHFFFAOYSA-N 332.423 2.070 30 40 EEEB N#Cc1cc(N2CCC(OC[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] 97145502 QJVGBVOOSPMPQN-ZDUSSCGKSA-N 331.372 2.488 30 40 EEEB CCc1nnc(N2CCCN(C3CCOCC3)CC2)c(C#N)c1CC 95412068 ZWUIMZODBWVVHV-UHFFFAOYSA-N 343.475 2.164 30 40 EEEB COc1cc(CN2CC[C@@H](Nc3nccnc3C#N)C2)cc(OC)c1 88751442 ZXBLVXHXGKBDNA-CQSZACIVSA-N 339.399 2.052 30 40 EEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1ccncc1 408527646 PDRMZEBRWYEYPL-CYBMUJFWSA-N 342.742 2.337 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 78078620 YECYZWSGISCGGA-HXUWFJFHSA-N 349.434 2.418 30 40 EEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225636699 WELLFUVXPYRHHG-SQNIBIBYSA-N 341.388 2.344 30 40 EEEB COC(=O)[C@@H](CCOc1ccccc1C#N)NC(=O)OC(C)(C)C 1615611168 UKVLMBFHNCOBCX-CYBMUJFWSA-N 334.372 2.393 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)nc1 58393405 MSUKUYMVJHSKRJ-UHFFFAOYSA-N 328.322 2.194 30 40 EEEB C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCOCC1 32957486 MIHCKNJCFDMYGH-ZDUSSCGKSA-N 344.440 2.289 30 40 EEEB C#Cc1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1 23010205 JICCAXSKOMUNBX-UHFFFAOYSA-N 325.349 2.185 30 40 EEEB O=C1Nc2ccccc2C(=O)/C1=C/NC(=S)NCc1ccccc1 102983297 ULEOKGKUPAVXTJ-KAMYIIQDSA-N 337.404 2.370 30 40 EEEB C=CCOc1ccc(Cl)c(C(=O)N2CCC(CC(N)=O)CC2)n1 65459512 NXPJWPVRKVHABJ-UHFFFAOYSA-N 337.807 2.027 30 40 EEEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1N 18179590 MQRXUZWWWNYINL-UHFFFAOYSA-N 327.344 2.277 30 40 EEEB CN(CCCc1n[nH]c(N)c1C#N)c1nc(C(F)(F)F)ccc1C#N 71908967 RUOFSHJINVOQPN-UHFFFAOYSA-N 349.320 2.218 30 40 EEEB C/C(=N\OCC(=O)O[C@@H]1CCCCC1=O)c1ccc2c(c1)OCO2 98053978 XNRVELRKXUZWBR-XWAFYUISSA-N 333.340 2.211 30 40 EEEB CC1CCN(/C(N)=N/C[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 97227739 KBJSLWWODZRZMR-SFHVURJKSA-N 342.487 2.124 30 40 EEEB CC1CCC(N2C[C@H](/C(O)=N/c3nc4ncccn4n3)CC2=O)CC1 66766711 SBKGBHVPEFYXPN-OTTFEQOBSA-N 342.403 2.140 30 40 EEEB O=C1C(Cl)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc21 2238550 SJRXNYPDZTYQGD-UHFFFAOYSA-N 347.779 2.495 30 40 EEEB COc1cccc(/C=N/Nc2nncn2N)c1OCc1ccccc1 15081728 WLSJRCMCPQVDTG-VXLYETTFSA-N 338.371 2.026 30 40 EEEB C=CCn1c(SCC(=O)N(C)C)nc2sc3c(c2c1=O)CCC3 2701205 FBSGXKYJRISGGK-UHFFFAOYSA-N 349.481 2.313 30 40 EEEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cccc(C)c1 4099504 MQFJELARWFGEHX-AXAPSJFSSA-N 327.380 2.251 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C[C@@H]2C=CCC2)CC1 47460684 MAQZDMYNADDPKJ-CYBMUJFWSA-N 326.400 2.429 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccoc1C 55462591 GWPTYVMIAROZKB-UHFFFAOYSA-N 327.384 2.356 30 40 EEEB COC(=O)C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1cccs1 48264207 ZJKLJIPHTZFRCZ-CQSZACIVSA-N 344.392 2.419 30 40 EEEB CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)CC[C@@H]1CCCO1 48677916 XDHHORUWDMEWBD-AWEZNQCLSA-N 326.418 2.279 30 40 EEEB C=CCn1c(C)cc(C(=O)CN2CCC(n3cncn3)CC2)c1C 69815363 JFJXFKRDVHMPRU-UHFFFAOYSA-N 327.432 2.402 30 40 EEEB COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc(C#N)c1 65515759 FOMCUGTUNBAPRU-UHFFFAOYSA-N 330.365 2.454 30 40 EEEB C=C(Br)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 71186292 SVIXLWFZTNTQAE-NSHDSACASA-N 347.278 2.103 30 40 EEEB COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OCCCC#N)c1 65621512 YPPDYHIKGJANFC-HNNXBMFYSA-N 345.424 2.335 30 40 EEEB CC(=O)c1cnn(CN2CCN(c3cccc(F)c3C#N)CC2)c1C 71792401 NLZPFJLCYDPNSX-UHFFFAOYSA-N 341.390 2.185 30 40 EEEB C#Cc1cc(F)c(NC(=O)N2CCN(c3cnccn3)CC2)c(F)c1 95977122 OSZSQWMGVYLEMQ-UHFFFAOYSA-N 343.337 2.090 30 40 EEEB CCc1noc([C@H](C)N2CCCN(c3ncccc3C#N)CC2)n1 66437440 ZQSPNGCHTHJOCZ-ZDUSSCGKSA-N 326.404 2.172 30 40 EEEB C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCC3 4169226 JDUBXLNHMWZFRF-UHFFFAOYSA-N 349.481 2.361 30 40 EEEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)n1 6648637 RRWVLNZPGYLJDQ-LBPRGKRZSA-N 345.336 2.393 30 40 EEEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1[N+](=O)[O-] 22608013 JUHZVQBDDYNJDR-VFZGTOFNSA-N 325.328 2.454 30 40 EEEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1N1CCCN([C@@H]2/C(=N/O)[C@H]3CC[C@H]2C3)CC1 100986999 HMXVULFBSXELKF-YXVOJGMZSA-N 346.475 2.252 30 40 EEEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccn(-c2ccccc2)n1 103717477 WLTOXFQLBUUGJS-AWEZNQCLSA-N 331.335 2.228 30 40 EEEB C[C@](C#N)(NC(=O)COC(=O)c1nc(Cl)ccc1Cl)C1CC1 4767448 GOCRFJOTEBUNAS-CQSZACIVSA-N 342.182 2.354 30 40 EEEB CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 97047125 WXQVVUDAOPQVTG-CQSZACIVSA-N 336.233 2.421 30 40 EEEB CCOC(=O)C1=C(C)N/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 19859105 OKRJZJPCAGJAJR-GHXNOFRVSA-N 347.367 2.063 30 40 EEEB N#Cc1cccc(S(=O)(=O)N(Cc2ccccn2)c2cn[nH]c2)c1 97148441 HSRRZKUTZNTZJR-UHFFFAOYSA-N 339.380 2.072 30 40 EEEB N#Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)nc1 78936121 SMJXVNURKMABPM-UHFFFAOYSA-N 343.343 2.079 30 40 EEEB CC[C@H](NCCCSCC#N)c1cccc(S(N)(=O)=O)c1 95462593 MJLVXMSJUROMQA-AWEZNQCLSA-N 327.475 2.022 30 40 EEEB Cc1cc([C@](C)(O)CNS(=O)(=O)c2ccc(CC#N)cc2)c(C)o1 89580377 SJAQKKJWJJGZKO-QGZVFWFLSA-N 348.424 2.149 30 40 EEEB Cc1ccc(C(N)=O)cc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O 89646908 DAWXUMCZMPQOQT-INIZCTEOSA-N 334.379 2.183 30 40 EEEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C#N)cc1 218456484 VSMYOWCNBUPIGG-FGTMMUONSA-N 326.421 2.410 30 40 EEEB N#Cc1cccnc1OC1CCN(S(=O)(=O)C2CCCCC2)CC1 96119310 JOFBCHVLHQNNSD-UHFFFAOYSA-N 349.456 2.459 30 40 EEEB CN(C1CCN(CC#Cc2ccc(Cl)cc2)CC1)S(C)(=O)=O 96455898 YPJQUDOFJBIXFY-UHFFFAOYSA-N 340.876 2.047 30 40 EEEB Cc1cc(C)c(C#N)c(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 1889101378 IOLVTECMPDTSLT-HNNXBMFYSA-N 344.484 2.362 30 40 EEEB CN(C)c1ccc(/C=N/[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 17887278 MQGSWEZTORQHAY-RIYWLQNKSA-N 343.383 2.174 30 40 EEEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)c2ccccc2)C1=O 58180320 AEKYNYKGESGPDT-LJQANCHMSA-N 333.347 2.208 30 40 EEEB Cc1noc([C@@H](C)N2CCN(Cc3cc(C#N)ccc3F)CC2)n1 69458914 JFVFDHSBHJQUOY-GFCCVEGCSA-N 329.379 2.268 30 40 EEEB Cc1c(C#N)c(NC(=O)Cn2cnc(C#N)n2)n(-c2ccccc2)c1C 14144605 SMEVPRFQXWUFTL-UHFFFAOYSA-N 345.366 2.068 30 40 EEEB Cc1sc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C#N)c1C 22968864 SHALZIRGVWMPSI-VXGBXAGGSA-N 343.408 2.126 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ncnc2ccccc12 7141174 ACDDOLYFHDVRSN-UHFFFAOYSA-N 349.306 2.427 30 40 EEEB C=CCNC(=O)NC(=O)CN(C)c1ccc(Oc2ccccn2)cc1 71911924 RAXNGQNNABYHEA-UHFFFAOYSA-N 340.383 2.322 30 40 EEEB C=CCN/C(=N/[C@@H](C)[C@H]1CCCO1)NCc1cccc(NC(C)=O)c1 95350552 XIWQBWSSEDAGGY-KBXCAEBGSA-N 344.459 2.434 30 40 EEEB Cn1cc(C#N)cc1C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 89662204 XILXLXRHIOHDBO-CQSZACIVSA-N 346.431 2.416 30 40 EEEB C[C@@H]1CCc2ccccc2N1S(=O)(=O)/N=C(\O)C1CCOCC1 78556655 STNJDZDFMJNKIS-GFCCVEGCSA-N 338.429 2.456 30 40 EEEB C=CCN(C(=O)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1615585481 AKSORYXMIAJNOY-OAHLLOKOSA-N 338.448 2.171 30 40 EEEB CC1(C)OB(c2ccc(C(=O)NCc3ccccc3)nc2)OC1(C)C 201546587 VQMJENZEDUSFPG-UHFFFAOYSA-N 338.216 2.311 30 40 EEEB COC(=O)c1ccc(COc2ccccc2/C=N/NC(N)=S)cc1 546976 HMXKOQKJSQLUDO-VXLYETTFSA-N 343.408 2.219 30 40 EEEB CN(C)c1ccc([C@@H]2C3=C(Nc4nnnn42)c2ccccc2C3=O)cc1 12349169 PINJBRVFYLURSE-QGZVFWFLSA-N 344.378 2.362 30 40 EEEB Cc1cc(C)cc(OCCCn2c(=O)c(C#N)cn(C3CC3)c2=O)c1 29750536 UTOXGMJJKKIBMQ-UHFFFAOYSA-N 339.395 2.303 30 40 EEEB C#CCNC(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] 57136962 QOZMQQVXHVLWLX-UHFFFAOYSA-N 347.352 2.002 30 40 EEEB Cc1cc(C)cc(CO/N=C(\N)C2=C(N)C3(CCCC3)N(C)C2=O)c1 63456293 RROXHSGKVKLWDY-UHFFFAOYSA-N 342.443 2.090 30 40 EEEB CC(C)(C)OC(=O)N1CCN(c2nc3ccccn3c2C#N)CC1 65566231 ONNVQRFEJFVWME-UHFFFAOYSA-N 327.388 2.263 30 40 EEEB C=CCNC(=O)c1ccc(N(C)C[C@@H](O)c2ccc(F)cc2)nc1 83859027 XFEQUSZTHDBFDB-MRXNPFEDSA-N 329.375 2.306 30 40 EEEB N#Cc1ccnc(N2CCN(c3nc4ccccc4cc3CO)CC2)c1 95399213 VHHRCXCDLIHZCW-UHFFFAOYSA-N 345.406 2.320 30 40 EEEB CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 95433273 KHNQBSXYDUNLIR-KRWDZBQOSA-N 330.409 2.302 30 40 EEEB C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H](C#N)c1cccc(Cl)c1 69772611 KDKCAMHTVYEHAB-IINYFYTJSA-N 331.759 2.432 30 40 EEEB COC[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(C)=CCC[C@@]1(C)O[C@H]21 1534691064 PLORWQGZQGHMBG-IBEYORTNSA-N 338.400 2.010 30 40 EEEB CCOC(=O)[C@H]1C/C(=N/OC(C)=O)c2ccc(OC)c(OC)c2C1 17064463 UJRNNAJBQQBYRY-GMVXBXSFSA-N 335.356 2.097 30 40 EEEB CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc(C#N)c1 26830767 GUFVVCVWBGUOTI-UHFFFAOYSA-N 331.353 2.287 30 40 EEEB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 4176894 SSIRGKPRORJMER-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB NC(=O)c1ccccc1OCC#CCNC(=O)c1ccccc1Cl 85558739 QIERHPPWBTYUHM-UHFFFAOYSA-N 342.782 2.251 30 40 EEEB C=CCn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 87574 GCCMWAIQNFWSSY-UHFFFAOYSA-N 339.420 2.426 30 40 EEEB COc1ccc([C@H]2NC(=O)C(=O)/C2=C(/O)c2ccccc2)c(OC)c1 102800672 WTHSDQPIMUAVJH-IBOXJLQUSA-N 339.347 2.413 30 40 EEEB COc1cccc(NC(=O)[C@H](C#N)C(=O)Cc2c(C)noc2C)c1 103503677 HTMNSPNEOLTESJ-OAHLLOKOSA-N 327.340 2.190 30 40 EEEB C/N=C1\S[C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)C(=O)N1C 105789621 YHPCNSRPOXPFKO-NLPIWRNCSA-N 341.820 2.237 30 40 EEEB N#Cc1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1Cl 69370813 DBWDUBSUKGLVPI-JKSUJKDBSA-N 348.834 2.275 30 40 EEEB COCCCN(Cc1ccncc1)S(=O)(=O)c1ccc(C#N)cc1 69847612 KNEHKJUEPDXJLS-UHFFFAOYSA-N 345.424 2.181 30 40 EEEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCN(Cc2ccco2)CC1 71825463 AEEJUDOGPWCUAM-HNNXBMFYSA-N 339.395 2.263 30 40 EEEB C#Cc1cccc(N(CC(=O)NC)C(=O)c2sccc2COC)c1 97048369 UBXBUGIWUDVDRV-UHFFFAOYSA-N 342.420 2.269 30 40 EEEB C=CCN(Cc1ccc(OC)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] 95451450 JSOOWUPXTIHPBT-UHFFFAOYSA-N 330.344 2.165 30 40 EEEB N#Cc1cc(NCC2(C(N)=O)CCOCC2)ccc1C(F)(F)F 95944313 CZKFKPJCABJRNL-UHFFFAOYSA-N 327.306 2.271 30 40 EEEB C/C(O)=N/S(=O)(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1 18105575 ODIKPKLITRRLQI-UHFFFAOYSA-N 343.364 2.425 30 40 EEEB N/C(=N/OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccsc1 50516518 RZYNFEPWBLEPCD-UHFFFAOYSA-N 333.457 2.470 30 40 EEEB Cn1nccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 369367 KOEXSUYCCDGHOQ-UHFFFAOYSA-N 345.453 2.359 30 40 EEEB C[C@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 89939224 FYLOPVXAJQGXNB-ZDUSSCGKSA-N 346.500 2.463 30 40 EEEB C=CCn1c(C)nnc1SC[C@@H](O)CN(C)Cc1ccccc1 69324775 IERHUEOYHZTEFI-INIZCTEOSA-N 332.473 2.358 30 40 EEEB O=C1Nc2ccccc2C(=O)/C1=C\NC(=S)NCc1ccccc1 104301244 ULEOKGKUPAVXTJ-SDNWHVSQSA-N 337.404 2.370 30 40 EEEB C/C(=C\C(O)=N\S(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CC1 54488115 QLXLLXXDDZPZAB-CSKARUKUSA-N 343.426 2.092 30 40 EEEB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n(CCC#N)n1 58223243 BLMVFWDAFQQRDG-AWEZNQCLSA-N 337.383 2.097 30 40 EEEB C#CCOc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1OC 409364623 YPLOLOHIPKOCPV-UHFFFAOYSA-N 349.346 2.005 30 40 EEEB C=CCNc1nc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cs1 3508504 HXKCSQKCQMZFKQ-RYUDHWBXSA-N 337.445 2.402 30 40 EEEB N#CCN(CC#N)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 69535400 MPCTUJOAISBCMT-UHFFFAOYSA-N 326.337 2.028 30 40 EEEB CC(C)n1nnnc1S[C@@H](C)C(=O)N(C)C1(C#N)CCCCC1 14093633 YIGDVQVSUBMOIH-LBPRGKRZSA-N 336.465 2.419 30 40 EEEB C=CCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1 7873288 ZCAFORKUMGAXBJ-LBPRGKRZSA-N 342.351 2.379 30 40 EEEB Cc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1N1CCOC1=O 76092560 ZTFUQKPYZGIYCL-SFHVURJKSA-N 344.415 2.418 30 40 EEEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccccc1F 408528043 QMJSOEIVWDHQHE-ASHKBJFXSA-N 343.358 2.411 30 40 EEEB C=CCNC(=O)[C@H](c1cc(Br)cs1)N1CCOCC1 521299193 LQNPRKICHWJFMV-LBPRGKRZSA-N 345.262 2.186 30 40 EEEB O=C(O)/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1 39131473 MJBHEINNBFZEII-LFYBBSHMSA-N 327.361 2.480 30 40 EEEB in-vitro NC(N)=Nc1ccc(C(=O)C(=O)c2ccc(Br)cc2)cc1 49131978 MTEDXLKQKSFNLZ-UHFFFAOYSA-N 346.184 2.420 30 40 EEEB in-vitro C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1cccc(C#N)c1 96491488 PGPFGMYJCRQNJG-CQSZACIVSA-N 329.425 2.187 30 40 EEEB CS[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 65592758 JZBIQWRPQNPKJV-GWCFXTLKSA-N 335.454 2.150 30 40 EEEB N#CCCN(Cc1ccccn1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 69622965 MPBQKFFUWJXYBO-UHFFFAOYSA-N 346.368 2.094 30 40 EEEB C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Cl)cc1 1891060 XNBNJSDHTDVESP-CYBMUJFWSA-N 331.763 2.345 30 40 EEEB CCOCCCNC(=O)[C@H](C#N)C(=O)/C=C(\C)c1ccc(F)cc1 103682065 VKGHFELPNOMXJS-SICOMBFOSA-N 332.375 2.481 30 40 EEEB CC1(C)CC[C@@](CCC#N)(C2N3CC4(C)CN2CC(C)(C3)C4=O)CO1 28444221 WUANCVZHHKDISD-WYDVDPGPSA-N 345.487 2.418 30 40 EEEB C[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NC1(C#N)CCCCC1 69618105 YACRSNFBJGWLBP-NSHDSACASA-N 328.372 2.264 30 40 EEEB CS(=O)(=O)c1n[nH]c(/N=C(\O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1 71886011 CMRAFRHWKXYQIK-NXEZZACHSA-N 340.792 2.253 30 40 EEEB C=C(C)CN1CCC(NC(=O)NCc2c(C)nn(CC)c2C)CC1 71879905 JCAUECHMPABRDY-UHFFFAOYSA-N 333.480 2.360 30 40 EEEB Cc1nnc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)o1 84291595 JWFXISQJJFFSCE-UHFFFAOYSA-N 345.156 2.375 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N\Cc3ccccc3)C2=O)cc1 408528865 XDXJVEXRXGFGOP-DEFALTHMSA-N 335.363 2.465 30 40 EEEB C#CCOc1c(Cl)cc(/C=N/NC(=S)NCC)cc1OC 5979469 OVFIHACYAFUSJB-RQZCQDPDSA-N 325.821 2.179 30 40 EEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)c1 16675575 SJTWWZJWUQMHCH-PNLUYVBFSA-N 340.379 2.235 30 40 EEEB N#CCCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cnc1N 164762187 MJGCTHCTVFUTQW-UHFFFAOYSA-N 336.804 2.426 30 40 EEEB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)ncc1C#N 591656158 VQQJPASQDMAZQU-MRXNPFEDSA-N 336.399 2.095 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C[C@H](O)c2ccccc2)CC1 29226969 OVANAUUBDQDYPO-KRWDZBQOSA-N 338.411 2.279 30 40 EEEB C=CCNC(=O)Cn1c(CO)cnc1SCc1ccc(C)cc1 9827538 KGUOXAYUDKKWNV-UHFFFAOYSA-N 331.441 2.278 30 40 EEEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(CC)C1=O 4744523 PUZSPJNHKIVURN-XROPSADXSA-N 326.443 2.414 30 40 EEEB CC[C@H]1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@@H]1N(C)C 89948402 DJMHFHVUNDFIPM-WMZOPIPTSA-N 345.491 2.145 30 40 EEEB N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 35469751 ICMONTIHXSPLQB-ZDUSSCGKSA-N 325.328 2.403 30 40 EEEB CCc1noc([C@@H](C)N2CCN(Cc3cccc(C#N)c3)CC2)n1 69421322 FCJHQHHFJKKWPE-CQSZACIVSA-N 325.416 2.382 30 40 EEEB COC(=O)c1cccc(/N=C/c2ccc(OCC(N)=O)cc2)c1C 4698840 OXMVJAXJHZRQGY-KEBDBYFISA-N 326.352 2.396 30 40 EEEB O=C1CCCC2=C1[C@@H](c1ccccc1Cl)c1c([nH]c(=O)[nH]c1=O)N2 6863822 LYJBJUIIKSFSSC-GFCCVEGCSA-N 343.770 2.281 30 40 EEEB COc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1C#N 78898591 XMXLOPUXOQDZKI-DYVFJYSZSA-N 327.428 2.303 30 40 EEEB C=CCN(CC=C)S(=O)(=O)c1cc(Cl)ccc1C(=O)OC 71792472 DSUSTIJXLQKLGT-UHFFFAOYSA-N 329.805 2.489 30 40 EEEB Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2sccc2C#N)c1 71875787 LSGLFZSWSGQALI-AWEZNQCLSA-N 329.429 2.228 30 40 EEEB Cn1cc(C[C@@H]2CC(=O)N(CC#Cc3ccc(Cl)cc3)C2=O)cn1 84318111 HHAWMQVCPZSWIL-OAHLLOKOSA-N 341.798 2.043 30 40 EEEB CCN(CC)CC#C[C@H](C)OC(=O)c1cccc(-n2cccn2)n1 95429437 HLLBNHRBPFSLQK-HNNXBMFYSA-N 326.400 2.158 30 40 EEEB C=CCNc1ncc(C(=O)NCCc2n[nH]c(-c3ccco3)n2)s1 89893993 TWOHJZBDHPERHT-UHFFFAOYSA-N 344.400 2.092 30 40 EEEB COC(=O)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)C)cc1 36619650 ZMPFVKKAPOJTAF-MRXNPFEDSA-N 331.368 2.267 30 40 EEEB N#CCc1ccc(N(CC(=O)O)S(=O)(=O)c2cccs2)cc1 225132261 JPFOYRGCCCLGCB-UHFFFAOYSA-N 336.394 2.094 30 40 EEEB C=CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)CCOc1ccccc1 96041354 IREXJVXLKHQCTR-LNLFQRSKSA-N 331.412 2.417 30 40 EEEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCS(=O)CC1 96417000 CTJGLHNSSABZBA-UHFFFAOYSA-N 347.358 2.475 30 40 EEEB Cc1cccc(S(=O)(=O)NCC2CCN(CC#N)CC2)c1Cl 96492880 JCRWQNBFZMACGD-UHFFFAOYSA-N 341.864 2.162 30 40 EEEB C/N=C1\S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1C 101166897 NPTDQXSUQZRHQJ-FEGCFHEDSA-N 335.404 2.194 30 40 EEEB C#CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C 22762534 PXLKASHMONGYTJ-UHFFFAOYSA-N 346.383 2.298 30 40 EEEB CC/N=C(\NCc1ccnn1C)NC[C@H]1CCO[C@H]1c1ccccc1 104202011 BYIVFUQDNMQKRV-AEFFLSMTSA-N 341.459 2.253 30 40 EEEB N#Cc1ccc(OCC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12762629 MWDJSDYVVVLULE-UHFFFAOYSA-N 346.390 2.498 30 40 EEEB C=CCNC(=O)[C@H](C)Sc1nc2ccccc2c2nc(C)nn12 13230452 PLKROYIJLURVTB-JTQLQIEISA-N 327.413 2.369 30 40 EEEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc([N+](=O)[O-])c1O 408929626 LVFZSVYBBFSACW-PMYJVMGRSA-N 337.357 2.231 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)c3nccc4ccccc34)CC2)c1 65589235 DRLMEXMPCHPATH-UHFFFAOYSA-N 343.390 2.464 30 40 EEEB C#CCN(C(=O)CCc1nc(-c2ncccn2)no1)C1CCCCC1 65612301 MTRHOXICIPARIF-UHFFFAOYSA-N 339.399 2.254 30 40 EEEB C[C@@H]1Oc2c(cccc2C(=O)[C@H](C#N)c2ccc(F)cn2)NC1=O 80436337 FBNBTRYCMNSSQR-JOYOIKCWSA-N 325.299 2.430 30 40 EEEB CN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N=C1S 9242624 VNCCHIVSLNXVSR-JYRVWZFOSA-N 337.360 2.486 30 40 EEEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC 409406066 PUZPLQBZONHLMQ-MGBSGCIJSA-N 340.379 2.235 30 40 EEEB C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O 30726860 JMUOPRSXUVOHFE-GZZMZBIISA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro C=CCNC(=O)[C@H](C)Oc1nn(C)c2ccc(Br)cc12 226754825 PQPDCFHRBNLPKG-VIFPVBQESA-N 338.205 2.405 30 40 EEEB Cn1cc(/C(N)=N/O)c(=O)c2cc(F)c(N3CCCCCC3)cc21 85346180 CGUNAWDZIHQJLL-UHFFFAOYSA-N 332.379 2.153 30 40 EEEB CC(C)NC(=O)N1CCC[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 47086211 XVDRCDAFICXRLQ-QGZVFWFLSA-N 342.443 2.347 30 40 EEEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(C)cc2)cc1 1768781 UHMNRYFLNGLFBV-GZTJUZNOSA-N 331.397 2.266 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccccc1N(C)c1ccccc1 51190866 ZNBMJDPAUSMPBP-UHFFFAOYSA-N 336.395 2.325 30 40 EEEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccn(-c2cccc(F)c2)n1 103717383 LHMUNEAAOUIBGO-AWEZNQCLSA-N 349.325 2.368 30 40 EEEB CNS(=O)(=O)c1ccc(CNc2snc(Cl)c2C#N)s1 44975184 ZDNPIKSNPXWKKQ-UHFFFAOYSA-N 348.862 2.250 30 40 EEEB CCn1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)n1 17067787 CPRUBQSSMIBZLM-ZDUSSCGKSA-N 330.417 2.238 30 40 EEEB COc1ccccc1C/N=C(/N)NCCc1ccc(OC)c(OC)c1 72272397 JRPWSOGVQGKAET-UHFFFAOYSA-N 343.427 2.359 30 40 EEEB CNC(=O)c1cccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)n1 97238419 ORGUYTCYVQEONP-UHFFFAOYSA-N 346.394 2.325 30 40 EEEB COc1cc([N+](=O)[O-])cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1O 96868519 KTLUCLQDHVTWSS-UUASQNMZSA-N 333.260 2.058 30 40 EEEB C[C@@H]1CN(c2nccc(C#N)n2)CCN1Cc1cc(F)cc(F)c1 2086928912 QUTLMLHHEMDLQT-GFCCVEGCSA-N 329.354 2.337 30 40 EEEB Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1 361153 WNSRZSKBSJWNKX-GIJQJNRQSA-N 328.763 2.370 30 40 EEEB CC[S@@+](C)CC[S@+](C)CC[S@@+](C)CC[S@@+](C)CC 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341.363 2.011 30 40 EEEB CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccc(C)s1 96104849 CCSSJLRFXVGXOJ-AWEZNQCLSA-N 343.408 2.371 30 40 EEEB CO[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc(F)c1 96388653 GWLLKVLJXKNEMT-INIZCTEOSA-N 341.342 2.140 30 40 EEEB N#Cc1cccnc1N1CCCN(C(=O)CCc2nccs2)CC1 55740316 VOIQHWDPLXGQNA-UHFFFAOYSA-N 341.440 2.081 30 40 EEEB Cc1sc2nc(SCC(=O)N(C)CCC#N)nc(N)c2c1C 23107778 PDXVSMQQONEWLT-UHFFFAOYSA-N 335.458 2.355 30 40 EEEB N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 15626891 PNNTZHPNDVMMSZ-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB C#CCNC(=O)c1ccccc1NCC(=O)NCc1cccc(C)c1 71896899 VUEYOMFFKZBLBX-UHFFFAOYSA-N 335.407 2.086 30 40 EEEB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)C(C)(C)C#N 72288467 ZKFZXIWZAGFIFA-RYUDHWBXSA-N 339.436 2.413 30 40 EEEB N#Cc1cnc(SCc2cn(-c3ccc(Cl)cc3)nn2)nc1N 95412672 SOFUOCGIWHAOHB-UHFFFAOYSA-N 343.803 2.457 30 40 EEEB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(C#N)c2)C1=O 9953445 POOYMMZAQLLYBK-LJQANCHMSA-N 349.346 2.254 30 40 EEEB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccc(C#N)cc2)cc1 97098696 BPUVMOJEBXMNIF-CQSZACIVSA-N 342.420 2.459 30 40 EEEB CN(C)C(=O)c1nc2c(s1)CCN(Cc1cccc(C#N)c1)CC2 96187577 HUSTXXIJHHVKFH-UHFFFAOYSA-N 340.452 2.317 30 40 EEEB N#CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 13635157 CZMQJGBTEPBKPD-FQEVSTJZSA-N 328.375 2.427 30 40 EEEB CC(=O)/C(=N\Nc1ccc(C(=O)O)cc1)C(=O)OCc1ccccc1 4949830 ZGJNABQJRMGBCW-CAPFRKAQSA-N 340.335 2.485 30 40 EEEB Cc1ccoc1C(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 100871436 GKNKCHOPVBEXED-ZIAGYGMSSA-N 328.368 2.128 30 40 EEEB C#CCOc1ccccc1CN1CCN(c2nccnc2C#N)C[C@@H]1C 91936783 YMSVRJAVDPNREM-INIZCTEOSA-N 347.422 2.071 30 40 EEEB Cn1cc(CN2CC[C@@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)cn1 107225964 DYIABHPWKCEFNE-RTBURBONSA-N 337.427 2.137 30 40 EEEB Cc1cc(=O)[nH]c(N/N=C/c2cn(CCC#N)nc2-c2ccccc2)n1 12798391 JBBZAMBZWHBEHX-RGVLZGJSSA-N 347.382 2.302 30 40 EEEB CCN(C)c1cc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccn1 69623260 OFJBUZOWVRHZEN-CQSZACIVSA-N 338.411 2.493 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1ccccc1 408528951 XZABIHITZKVUAM-LBPRGKRZSA-N 325.299 2.427 30 40 EEEB Cc1cccc(NC(=O)CN(C)CC(=O)NC2(C#N)CCCC2)c1C 8152770 VKQDTFNGLVMMBT-UHFFFAOYSA-N 342.443 2.126 30 40 EEEB C[C@@H](C(=O)[C@@H](C#N)C(=O)NC1CCCC1)N1CCc2ccccc2C1 101831574 ZBZQSMAWLHGNEC-KBXCAEBGSA-N 339.439 2.201 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 60370116 VDHZAESTUNUVRY-INIZCTEOSA-N 327.409 2.433 30 40 EEEB C=CC[C@H]1N(c2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237650 WSHQZPHRZYRCMK-RUEZSYAVSA-N 341.363 2.011 30 40 EEEB Cc1ccc(/C=N/n2nnc(C(=O)NCc3ccccc3)c2O)cc1 6009094 GJTUEAFKSYUXII-UDWIEESQSA-N 335.367 2.104 30 40 EEEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C#N)cc2)cc1[N+](=O)[O-] 4963659 QAXUQIXRGVLUSH-LICLKQGHSA-N 344.352 2.087 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C2CCCC2)CC1 29528709 QSTBDQVAPFVQQE-UHFFFAOYSA-N 328.372 2.305 30 40 EEEB COCCn1cc2c(n1)[C@@H](NC(=O)C1(C#N)CCCCC1)CCC2 96002927 UFQHSTZXBIEDDX-HNNXBMFYSA-N 330.432 2.497 30 40 EEEB Cn1ncc2c1CC/C(=C/c1cccc(OCCC(=O)O)c1)C2=O 96313965 RLZPKWKOENGHEH-LCYFTJDESA-N 326.352 2.486 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 84475261 DPFWMRCVNMZJNM-KXBFYZLASA-N 346.450 2.391 30 40 EEEB Cc1cc([C@](C)(O)CNS(=O)(=O)Cc2cccc(C#N)c2)c(C)o1 95433219 SJPHHMJUDZHJFZ-QGZVFWFLSA-N 348.424 2.095 30 40 EEEB O=C1/C(=N\Nc2cccnc2)c2cc(F)ccc2N1C1CSC1 223754548 KIZNXZJYVVWVDU-HKWRFOASSA-N 328.372 2.499 30 40 EEEB N#Cc1c(F)cccc1NCCNC(=O)c1cnc2ccccc2n1 42105061 SJAJTNAFJBQMFV-UHFFFAOYSA-N 335.342 2.482 30 40 EEEB CO/N=C/Nc1nc2nccc([C@H](C)Oc3cccc(OC)c3)n2n1 3134391 CNZDLMMQPBELOV-NSHDSACASA-N 342.359 2.275 30 40 EEEB C=C(C)Cn1nc2c(=O)n(-c3ccc(F)c(Cl)c3)ccn2c1=O 2298071711 FJXNBGYRQAAIOH-UHFFFAOYSA-N 334.738 2.016 30 40 EEEB N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(Cl)cc1 20150102 WJZNWBQZSWIIEP-UHFFFAOYSA-N 343.799 2.305 30 40 EEEB COc1ccc(Cl)cc1C(=O)NCCNc1ncccc1C#N 32932394 TZMNEHUEHXVKIX-UHFFFAOYSA-N 330.775 2.457 30 40 EEEB COCc1cc(C)n(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c1C#N 810872 PSOZOOBNNYBSGJ-AWEZNQCLSA-N 339.395 2.052 30 40 EEEB CC(C)n1ncc2c1NC(=O)[C@H]([N+](=O)[O-])[C@@H]2c1ccc(F)c(F)c1 100254908 NVGXCEDMBWDLAC-CHWSQXEVSA-N 336.298 2.472 30 40 EEEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 104308400 MTCKYHLINYKZGE-SDXDJHTJSA-N 347.396 2.345 30 40 EEEB Cc1nc2ncnn2c(C)c1CCC(=O)OCC#Cc1ccccc1 47895980 QGBPJVLPSPEPPH-UHFFFAOYSA-N 334.379 2.269 30 40 EEEB COc1ccc(N(C(=O)C[n+]2ccccc2)[C@H]2COCC=C2C)cc1 1789851 FOWBBGNDQKDWOT-IBGZPJMESA-N 339.415 2.361 30 40 EEEB CC/N=C1\S[C@@H](C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC 13151497 DNVGZJFGVOJQAF-VLUKHXRESA-N 335.429 2.364 30 40 EEEB C=CCN(CC(=O)N(CCC#N)CCC#N)Cc1cccc(C#N)c1 63299736 LMYNSDZOTVFSKM-UHFFFAOYSA-N 335.411 2.202 30 40 EEEB COc1cc(C#N)ccc1OCc1cccc(S(=O)(=O)N(C)C)c1 14197513 MXZMXLXCGCNJMI-UHFFFAOYSA-N 346.408 2.396 30 40 EEEB Cc1cc(C)n2nc(CCCNC(=O)N[C@H](C)C3CC3)c(C#N)c2n1 69558401 MXAPKEQMOODPMX-CYBMUJFWSA-N 340.431 2.248 30 40 EEEB Cc1ccccc1[C@H](O)CNS(=O)(=O)c1cc(C#N)ccc1C 95433115 FTVCHWCNRPWWNT-MRXNPFEDSA-N 330.409 2.187 30 40 EEEB CCN(CC)CC#C[C@@H](C)OC(=O)c1ccc(-n2cnnc2)cc1 95429438 FQXPXSWCRYIZJO-OAHLLOKOSA-N 326.400 2.158 30 40 EEEB C[C@@H](NC(=O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 32916074 NCTLEXHKPIZDAT-GFCCVEGCSA-N 343.408 2.421 30 40 EEEB CN1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccccc1 189660925 LCHUWWUVQXOPHC-WBVHZDCISA-N 338.415 2.364 30 40 EEEB Cn1cc(-c2nc(C(O)=Nc3nnc4n3CCCC4)cs2)cn1 329345307 QWVKICFGQKAHJH-UHFFFAOYSA-N 329.389 2.108 30 40 EEEB N#Cc1ccc(OCCNC(=O)c2nn[nH]c2-c2ccccc2)cc1 194198688 FBPKJPJMSRBUSI-UHFFFAOYSA-N 333.351 2.152 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 96407044 NLDBRHVEUGIZJJ-UHFFFAOYSA-N 335.407 2.297 30 40 EEEB CCn1cc(CN2CCCN(C(=O)c3ccc(C#N)cc3)CC2)cn1 69513922 USSNNPQBGYICCQ-UHFFFAOYSA-N 337.427 2.123 30 40 EEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1[N+](=O)[O-] 16677471 CQGBJIWEJYYPTB-KEBYMKGTSA-N 339.351 2.434 30 40 EEEB C/N=C(/NCC(=O)N1CCCC1)NCc1ccc(C)cc1OC(C)C 152823150 PXYBNOKAQSEEHY-UHFFFAOYSA-N 346.475 2.070 30 40 EEEB Cc1nc2c(c(N3CCN(Cc4ccc(C#N)cc4)CC3)n1)CCC2 1888869802 VOXZNALPTONRNZ-UHFFFAOYSA-N 333.439 2.468 30 40 EEEB Cc1nnc(NCC2(N3CCOCC3)CCCCC2)c(C#N)c1C 40051201 QULVOEUEVLXQIK-UHFFFAOYSA-N 329.448 2.412 30 40 EEEB CC[S@@+](C)CC[S@@+](C)CC[S@@+](C)CC[S@@+](C)CC 100930234 KSFVLIQDMPBFDX-USTZCAOPSA-N 330.694 2.019 30 40 EEEB CC/N=C1/S[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1CC 100896275 ORCGPFDYBFATGA-PHODEOQFSA-N 349.412 2.084 30 40 EEEB N#C[C@]1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCSC1 106754646 WSAITBZDJZLULO-SJLPKXTDSA-N 329.469 2.414 30 40 EEEB CC(C)N(CCC#N)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 59409603 UVXKUBVFEFALOW-UHFFFAOYSA-N 328.821 2.264 30 40 EEEB CS(=O)(=O)c1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1 69383739 LZIQVDZNCZXQFV-UHFFFAOYSA-N 332.381 2.239 30 40 EEEB O=C1CS/C(=N\CN2CCCCC2)N1c1ccc([N+](=O)[O-])cc1 5569897 DBIFYXOKTXUTCH-NXVVXOECSA-N 334.401 2.474 30 40 EEEB C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)CC1 79033082 YWSROZCESXQPFZ-MOPGFXCFSA-N 326.440 2.448 30 40 EEEB C#CCOc1ccc(Br)cc1/C=N/n1cnnc1S 408815145 UMXZQGUGFXVMKW-VIZOYTHASA-N 337.202 2.224 30 40 EEEB C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCC2CC2)c1 79357726 ZQIMKGKUTGJTOC-UHFFFAOYSA-N 340.423 2.050 30 40 EEEB CCOC(=O)COc1ccc(C#N)cc1I 225573038 QANIQJZPAKAKKA-UHFFFAOYSA-N 331.109 2.105 30 40 EEEB CC(C)(C)OC(=O)N1CCC[C@@H](C#CC(=O)NCc2nccs2)C1 585121414 OTBUGSLZDPMENZ-ZDUSSCGKSA-N 349.456 2.410 30 40 EEEB Cn1c([C@@H](C#N)c2nc(C#N)c(C#N)nc2Cl)nc2ccccc21 5071993 UUKNWLCJCCLKCH-VIFPVBQESA-N 333.742 2.416 30 40 EEEB CC/N=C1\S[C@@H](C(=O)NCCc2ccccc2)CC(=O)N1CC 13115818 RKLCRMMECYBUFL-MGPWXQLLSA-N 333.457 2.075 30 40 EEEB C/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1N=C1CCCC1 6435171 MGRPQSIJHHNBNW-VLGSPTGOSA-N 330.413 2.330 30 40 EEEB C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8217497 DQBQNXAMJDWUGO-CQSZACIVSA-N 344.411 2.257 30 40 EEEB Cc1cc(C)c(C#N)c(SC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)n1 58153126 RLCUWQPHCFQHOX-QLFBSQMISA-N 335.473 2.132 30 40 EEEB N#Cc1cccnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 58343107 ZWNLMWZRWITDCO-OAHLLOKOSA-N 325.347 2.493 30 40 EEEB N#Cc1c(CN2CCOCC2)cc(=O)n2c1sc1ccccc12 48229467 FDWPCDIMJJRAHN-UHFFFAOYSA-N 325.393 2.218 30 40 EEEB O=S(=O)(Oc1ccc(/C=N/c2nnc[nH]2)cc1)c1ccccc1 4616499 OZLXKGDDACKGIW-MHWRWJLKSA-N 328.353 2.323 30 40 EEEB COC(=O)[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 68454235 YZYZSRZVQSUVTL-QGZVFWFLSA-N 343.427 2.175 30 40 EEEB CC[C@]1(C)NC(=O)N(/N=C/c2c(F)c(F)c(F)c(F)c2F)C1=O 7989728 UPXSHDAVUBOSEW-GAQCPGMVSA-N 335.232 2.437 30 40 EEEB C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCn2nc(C)nc21 83572566 QMGNHGYWLGQYDX-AWEZNQCLSA-N 343.362 2.394 30 40 EEEB CN(CC(C)(C)O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 95411090 MSYWDVBDGUHLHW-UHFFFAOYSA-N 328.334 2.469 30 40 EEEB N#Cc1cc(COc2ccc([N+](=O)[O-])cc2-n2cnnn2)ccc1F 95974590 LSSTUGOKPQDWJF-UHFFFAOYSA-N 340.274 2.160 30 40 EEEB N#Cc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)cc1Cl 89826380 CSHYLULTXWGRDD-OAHLLOKOSA-N 336.800 2.224 30 40 EEEB CCCN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)NC1=S 409076387 ADADLXBWVCQRSA-XFXZXTDPSA-N 331.397 2.065 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408526536 DINYYENRODCOOB-PQBAFLRRSA-N 339.395 2.453 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C=O)[C@@H]2c2ccc3c(c2)OCO3)cc1 218175568 ILELVJOZBHFXDY-FHLIZLRMSA-N 344.388 2.479 30 40 EEEB N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H](N)c1c(F)cccc1F)C2 1580072411 QXQIFVWGKAFTKT-SUMWQHHRSA-N 327.334 2.120 30 40 EEEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)C#N)cc1 242688556 VSMYOWCNBUPIGG-KURKYZTESA-N 326.421 2.410 30 40 EEEB C=C(Br)CN1CCN(Cc2nccn2C(F)F)CC1 89893906 DJDULOIWMWYKQR-UHFFFAOYSA-N 335.196 2.304 30 40 EEEB C=CCNC(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888875666 OFONOCJOLFEJDT-IAGOWNOFSA-N 349.438 2.407 30 40 EEEB C=CCN1CCO[C@H]2CN(C(=O)c3cccc(Cl)n3)CC[C@H]2C1 1565551974 YAXPVHORAZYDSQ-ZFWWWQNUSA-N 335.835 2.084 30 40 EEEB N#CCOc1ccc2[nH]cc([C@H](C(=O)O)N3CCSCC3)c2c1 40268209 YWYUPWTXPZXZPF-OAHLLOKOSA-N 331.397 2.245 30 40 EEEB C=CCNC(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC(C)C 2792706 SYVRITOVOLBQSC-UHFFFAOYSA-N 348.476 2.037 30 40 EEEB C/N=C1\S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1C 4690461 LZDYZFSZKTYEOE-QSHCIHFVSA-N 327.749 2.486 30 40 EEEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3)C2=O)cc1 408526551 DLKNMLLARJBMJM-HNNXBMFYSA-N 337.335 2.297 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N\[C@H]2C[C@H]3CC[C@H]2C3)C1=O 408528821 WRTARFUUEFHIJG-ZZHVRGJUSA-N 339.395 2.453 30 40 EEEB NC(=S)N/N=C\c1cccc(Oc2nc(Cl)ncc2F)c1 409069127 LMQCNVANVBCBJW-ZWSORDCHSA-N 325.756 2.229 30 40 EEEB C=CCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)O)c1 217568634 GGQIDQPPBHCLJU-UHFFFAOYSA-N 346.408 2.461 30 40 EEEB CCCCS(=O)(=O)/N=C(\O)[C@@H]1COc2cc(OC)ccc2C1 50204945 HFEKLJRRXATYCD-LBPRGKRZSA-N 327.402 2.333 30 40 EEEB O=S(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F 95707997 BWNNKSVRTCALAX-UHFFFAOYSA-N 326.161 2.065 30 40 EEEB N#Cc1nccnc1N1CCC(N2CCc3sccc3C2)CC1 1776000556 SXOGVNOLRQJPRQ-UHFFFAOYSA-N 325.441 2.437 30 40 EEEB O=C(NCCN(C(=O)C(F)(F)F)c1ccc(F)cc1)C(F)(F)F 1572875 JHMSCEYPWRTVIF-UHFFFAOYSA-N 346.202 2.400 30 40 EEEB CCOC(=O)C1CCN(CCC(=O)Nc2sccc2C#N)CC1 21364995 PXCCEABPMVJXQY-UHFFFAOYSA-N 335.429 2.223 30 40 EEEB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(CCC#N)CC1 20717643 DLYDKAGWWRWNGF-KRWDZBQOSA-N 326.400 2.133 30 40 EEEB N#Cc1cccnc1NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 47252705 NYILGPZELAWFAG-UHFFFAOYSA-N 345.746 2.357 30 40 EEEB C=CCN(CCc1ccccc1)C(=O)Cc1ccc(-n2cnnn2)cc1 58406197 VVDPGCQFLDWMGJ-UHFFFAOYSA-N 347.422 2.462 30 40 EEEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)COC2CCCC2)cc1 48472957 SZRWXAAZSATYHD-UHFFFAOYSA-N 325.386 2.494 30 40 EEEB N#Cc1ccc(SCCC(=O)Nc2nc(CC(N)=O)cs2)cc1 69351564 HTSXOJCRGUEFNY-UHFFFAOYSA-N 346.437 2.163 30 40 EEEB COc1ccc(/C(O)=N/S(=O)(=O)c2c(C)noc2C)c(F)c1 84025703 CLFZDZGPCWXJTM-UHFFFAOYSA-N 328.321 2.133 30 40 EEEB C=CCN(CC=C)C(=O)Cn1cc(COc2cccc(C)c2)nn1 227168565 JFWICDBOBXHDQQ-UHFFFAOYSA-N 326.400 2.366 30 40 EEEB C=CCN1CCC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)C1=O 96157794 DGDRMVDKQVWPAS-UHFFFAOYSA-N 342.439 2.265 30 40 EEEB CCOC(=O)c1cnn(Cc2csc(-c3ccccn3)n2)c1C#N 241466176 NVGLKMLBXPWZNW-UHFFFAOYSA-N 339.380 2.498 30 40 EEEB N#Cc1ncn(CC(=O)NCCn2c3ccccc3c3ccccc32)n1 390833650 KVJJINDLGCFKPC-UHFFFAOYSA-N 344.378 2.074 30 40 EEEB C=CCN[C@H](CC(=O)Nc1ccccc1Br)C(=O)O 5258464 AGWGALYWLUXGMZ-LLVKDONJSA-N 327.178 2.007 30 40 EEEB CCCn1nc(C(=O)Oc2c(Cl)cc(C#N)cc2OC)ccc1=O 24042886 UBKZCAZVMNNHPY-UHFFFAOYSA-N 347.758 2.406 30 40 EEEB CNC(=O)c1c(C)nc(SCC(=O)O)c(C#N)c1-c1ccco1 3346491 OLQCSLRXURSJFW-UHFFFAOYSA-N 331.353 2.058 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C#N)C1 6416676 ZBEVYICBWGPXSJ-ZETCQYMHSA-N 348.457 2.176 30 40 EEEB C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(-n2cncn2)cc1 6541006 HGWYSLWTFKTBLU-CQSZACIVSA-N 347.378 2.395 30 40 EEEB CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 110646566 OCDGCIHOZPWJIN-JFIYKMOQSA-N 329.444 2.457 30 40 EEEB O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)nc1 95445939 NWSGDHCTSJUBRU-UHFFFAOYSA-N 347.296 2.207 30 40 EEEB C=C(C)CN1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 30769000 WBAXZRMNDSSOQF-UHFFFAOYSA-N 334.416 2.046 30 40 EEEB CC(C)CS(=O)(=O)CC(=O)Nc1cc(C#N)cn1C(C)(C)C 78665310 HNYNPFGYHBJGPX-UHFFFAOYSA-N 325.434 2.124 30 40 EEEB CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1cccc(CC#N)c1 78910690 AORZNDGHUGZVOC-INIZCTEOSA-N 345.468 2.430 30 40 EEEB COc1cccc(CC(=O)NCC#CCN2CCc3ccccc3C2)c1 75165035 VWFIUMQNKQJHRK-UHFFFAOYSA-N 348.446 2.416 30 40 EEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)C4CC4)C3)C2)c1 1142677488 YQIGQMVTSDBJMP-FQEVSTJZSA-N 339.439 2.414 30 40 EEEB O=C(C#Cc1ccccc1)N[C@H](Cc1ccccc1)C(=O)NC1CC1 81627120 KELSKKPOXIQYKT-LJQANCHMSA-N 332.403 2.044 30 40 EEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc[nH]1 24081610 WAJSCGAPKUICON-INIZCTEOSA-N 339.395 2.155 30 40 EEEB N#Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1Cl 3343913 LVIKDRDUCQIMOS-UHFFFAOYSA-N 325.806 2.376 30 40 EEEB N#Cc1cc(NCC(=O)NC(=O)NCc2cccs2)ccc1F 97046773 RURDJJPCKRRIIY-UHFFFAOYSA-N 332.360 2.197 30 40 EEEB CCc1ncc(C(=O)N2CCCN(c3ncccc3C#N)CC2)s1 71830968 CUFSQGZOIGXMQZ-UHFFFAOYSA-N 341.440 2.325 30 40 EEEB C[C@@H]1CN=C(N2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)S1 73117802 JSFZBWWERFAPOW-PSKZRQQASA-N 340.452 2.207 30 40 EEEB N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2 126776900 WHORCQYJOHVXGK-MRXNPFEDSA-N 347.374 2.210 30 40 EEEB Cc1ccccc1-c1cc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)n(C)n1 132311677 XIGNAPDTVWKPFL-ZDUSSCGKSA-N 339.399 2.095 30 40 EEEB Cc1n[nH]c(/N=C(\O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 96410114 AMOHLLCTRJRYOT-NSHDSACASA-N 332.383 2.051 30 40 EEEB N#CC1(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CCC1 96494404 FWFZLPWXSZZIBW-INIZCTEOSA-N 325.412 2.030 30 40 EEEB Cc1oc(NC(=O)CN2CCO[C@@H](c3nccs3)C2)c(C#N)c1C 97199808 LQXQMZJNYVKARZ-CYBMUJFWSA-N 346.412 2.237 30 40 EEEB CCc1noc(C)c1/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48505652 MACCEWYTDMKCEM-UHFFFAOYSA-N 333.369 2.252 30 40 EEEB Cc1cc(C)n(C[C@H]2CCCCN2CC(=O)NC2(C#N)CCCC2)n1 69922835 UPLNPPVYXKFMBR-QGZVFWFLSA-N 343.475 2.307 30 40 EEEB N#Cc1cc(Br)ccc1NCCCN1C(=O)CCC1=O 96008454 SKZRLXLYIDLEAK-UHFFFAOYSA-N 336.189 2.272 30 40 EEEB O=C(C[C@H]1S/C(=N\c2ccccn2)NC1=O)NCc1ccccc1 27577299 OWDTZKOEEOYWBU-CYBMUJFWSA-N 340.408 2.007 30 40 EEEB CNC(=O)N(O)[C@@H]1N(/N=C/c2ccco2)C(=S)SC1(C)C 60622 LLUWLPIEHXDRJH-DUJAKZANSA-N 328.419 2.083 30 40 EEEB O=C(C[C@@H]1S/C(=N/N=C/c2ccco2)NC1=O)c1ccccc1 16713189 HMNKKFOJEBYMOT-FBJMNJBLSA-N 327.365 2.474 30 40 EEEB N#Cc1ccc(CN2CCC(C(=O)N3CCSCC3)CC2)cc1 2298199106 DYNWNJHHOMSRQJ-UHFFFAOYSA-N 329.469 2.346 30 40 EEEB C/C(=N\N1C(=O)c2ccccc2C1=O)C1C(=O)c2ccccc2C1=O 100004542 NZIODKQHKFNKCB-KEBDBYFISA-N 332.315 2.354 30 40 EEEB C/N=c1/scc(-c2ccc(O)cc2O)n1/N=C/c1cccnc1 102836096 IAHRZFJTPUHSQP-FUVVPUJGSA-N 326.381 2.436 30 40 EEEB CCOC(=O)C1CCN(/C=C2/Oc3c(ccc(O)c3C)C2=O)CC1 103025086 ROTHPNSAWZJWFA-XNTDXEJSSA-N 331.368 2.392 30 40 EEEB COCCOc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1 26529446 NIAFJTSAYHVOLI-UHFFFAOYSA-N 332.381 2.384 30 40 EEEB CN(CC(=O)NCc1ccccc1N1CCCC1)c1ccc(C#N)cn1 62280110 ZFDOUYLNLDUIFT-UHFFFAOYSA-N 349.438 2.306 30 40 EEEB COC(=O)c1ccc(/N=N/c2c(C)c(C#N)c(=O)n(C)c2O)cc1 13770842 OQLIEGPDJNBADC-VHEBQXMUSA-N 326.312 2.473 30 40 EEEB C[C@H]1CCCC[C@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O 8940354 ZYSHWUIFQWQGSC-UGSOOPFHSA-N 327.384 2.438 30 40 EEEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4ccccc4F)c3nc12 6809464 YOGWNTBWBWCYPW-UHFFFAOYSA-N 346.321 2.318 30 40 EEEB COc1cccc(N2CCC[C@H](NC(=O)c3ccc(C#N)cn3)C2)c1 96409294 HCIUBAYLFBWTNM-HNNXBMFYSA-N 336.395 2.361 30 40 EEEB C#Cc1cccc(N(C)S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 83869523 AKHICDKRFJEPAA-UHFFFAOYSA-N 341.348 2.273 30 40 EEEB CC/N=C(/NCCc1c(C)noc1C)N[C@H]1CCN(C2CCCC2)C1 97013725 QZPVGWPHLNGPDL-INIZCTEOSA-N 347.507 2.406 30 40 EEEB N#C[C@H](c1ccccc1)N1CCN(CCOC[C@@H]2CCCO2)CC1 88524486 USZLDFKMUSEFRN-RBUKOAKNSA-N 329.444 2.064 30 40 EEEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218400155 KZDUVAMHEDGNLN-FGTMMUONSA-N 326.421 2.464 30 40 EEEB CCc1ccc(C(=O)N2CCN(C(=O)CC(C)(C)C#N)CC2)cc1 278385237 IENRXJQWXKIHAI-UHFFFAOYSA-N 327.428 2.473 30 40 EEEB Nc1ncnc(N/N=C/c2ccccc2C(F)(F)F)c1[N+](=O)[O-] 5447161 ZFZQSQURUNMEBU-PTXOJBNSSA-N 326.238 2.432 30 40 EEEB O=C(N[C@H](Cc1ccccc1)/C(O)=N/c1ncn[nH]1)c1ccco1 23142542 FAHZVESDVCGCEP-GFCCVEGCSA-N 325.328 2.027 30 40 EEEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)Cc1ccc(OC)cc1)CCO2 105974918 CBKKQPNRZYRQGY-LMMKCTJWSA-N 331.412 2.199 30 40 EEEB Cc1ccc([C@@]2(C)NC(=O)N(CCOc3cccc(C#N)c3)C2=O)o1 58293158 RMKNQAAXEIXXGH-GOSISDBHSA-N 339.351 2.306 30 40 EEEB N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1 69580913 ONIGUAOCSWYFEE-UKRRQHHQSA-N 331.803 2.279 30 40 EEEB C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)n[nH]c1=S 5484698 OQJRTDYYBWBAQL-UHFFFAOYSA-N 334.401 2.074 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc2[nH]c3ccccc3n12 6506303 BOCAQYHBALMJPR-MRXNPFEDSA-N 342.428 2.357 30 40 EEEB CN1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C#N)C1 408582664 OQKOHSLAHYUXGP-UHFFFAOYSA-N 332.473 2.422 30 40 EEEB C=CCN(C)Cc1ccc(C(=O)N2CCC[C@H](NC(=O)CC)C2)cc1 71904449 LEDNNHVSHMUBSG-SFHVURJKSA-N 343.471 2.435 30 40 EEEB Cc1oc(NC(=O)CN2CCC(c3cn[nH]c3)CC2)c(C#N)c1C 97202782 LRBWCBZDYUGGLT-UHFFFAOYSA-N 327.388 2.309 30 40 EEEB C=C(Br)CNC(=O)N1CCO[C@@H](c2nc(C)cs2)C1 194090305 ZHYUHZNIFQICSP-SNVBAGLBSA-N 346.250 2.443 30 40 EEEB CC(C)(C)OC(=O)c1ccccc1B1OC(C)(C)[C@](C)(CCN)O1 604940266 RZUUARRKVSXIAK-SFHVURJKSA-N 333.237 2.270 30 40 EEEB C=CCCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 585086817 UMYUHLDERIQVEE-OCCSQVGLSA-N 348.365 2.027 30 40 EEEB C=CCN(C(=O)c1cc(C)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 69420985 MMSBZXJHPQRNBW-AWEZNQCLSA-N 344.436 2.359 30 40 EEEB COc1ccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)cc1 84553 FHBLLJJKIXOVTC-GZTJUZNOSA-N 329.381 2.110 30 40 EEEB CCCCCOc1ccc(CC/N=C(/N)NC(=N)N)cc1Cl 1831854 CMVBZXBJAVJQPY-UHFFFAOYSA-N 325.844 2.249 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C\c2cn(CC=C)c3ccccc23)C1=O 6947847 KISLZBOXBBIRGG-RVDMUPIBSA-N 335.363 2.475 30 40 EEEB C#CCNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 22610018 GFSPAWZNQBBNHQ-UHFFFAOYSA-N 326.356 2.498 30 40 EEEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)[C@@H]2CC(=O)N(C(C)C)C2)c1 48472263 RZFZZULODSXTNS-CYBMUJFWSA-N 338.429 2.206 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1[N+](=O)[O-] 409205582 INWQRXQGSHKGDW-YGGVYHJUSA-N 325.324 2.126 30 40 EEEB COC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 71803816 SYNDLOJACONBRD-NEPJUHHUSA-N 327.340 2.482 30 40 EEEB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)C3(C#N)CCCC3)CCO2)n1 76046181 DIXHZNRPSDPCQK-LBPRGKRZSA-N 331.420 2.086 30 40 EEEB CN(C)[C@H]1CCC[C@@H](NC(=O)NCCOc2ccc(C#N)cc2)C1 89314005 BJRZKVPKXVCFJU-CVEARBPZSA-N 330.432 2.109 30 40 EEEB N#Cc1cc(Br)ccc1S(=O)(=O)N1C[C@H]2CC[C@H]1C2 110700214 AKPLGSFPPMJGPI-CABZTGNLSA-N 341.230 2.494 30 40 EEEB COc1c(C#N)ccc(=O)n1CCc1ccc2c(c1)OC(F)(F)O2 596283543 XWABHTLNVZXQME-UHFFFAOYSA-N 334.278 2.293 30 40 EEEB C=CC(=O)N(C)CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 1628364279 MERWIYMPEOAVDW-NSHDSACASA-N 326.183 2.319 30 40 EEEB CN1C[C@@H](C(=O)N2CCC(C#N)CC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595912 SDIKZBHWWOOTPU-RYRKJORJSA-N 343.402 2.199 30 40 EEEB CCc1ncnc(N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)c1F 1889078100 NJQLCDUWXYJJPG-ZFWWWQNUSA-N 338.390 2.160 30 40 EEEB CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](C)O1 110625252 KUWDMGVAUOUFQR-MFKMUULPSA-N 328.821 2.400 30 40 EEEB Cc1cc(Br)cc2c1NC(=O)/C2=N\Nc1cnccn1 47951718 LUUCWXBRJOHPEG-UHFFFAOYSA-N 332.161 2.316 30 40 EEEB Cc1cc(C(=O)NC(C)C)ccc1NCC(=O)N[C@@](C)(C#N)C1CC1 58152984 FELUWIOMXVMWOZ-IBGZPJMESA-N 342.443 2.354 30 40 EEEB C=CCn1c(SCC(=O)NCC)nc2sc(C)c(C)c2c1=O 3319212 ZFVKIUAQRPVZCX-UHFFFAOYSA-N 337.470 2.489 30 40 EEEB CN(Cc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 44966193 UOKTXDMHGCKMPV-UHFFFAOYSA-N 335.411 2.327 30 40 EEEB N#Cc1ccc(CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 12976886 GTSJLVVZICTEFE-INIZCTEOSA-N 330.409 2.341 30 40 EEEB CN(Cc1ccc(C#N)cc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O 65522712 JCOFUQKCRSRUFW-UHFFFAOYSA-N 338.411 2.058 30 40 EEEB CCc1ccc(-c2nnn(CC(=O)Nc3ccccc3C#N)n2)cc1 7040683 QFGCKTWTMUDUDU-UHFFFAOYSA-N 332.367 2.413 30 40 EEEB Cc1cc(C)c2c(OCC(=O)Nc3ccc(C#N)cc3)nn(C)c2n1 67787649 ATHWGGHZCYNZNH-UHFFFAOYSA-N 335.367 2.474 30 40 EEEB CCCc1noc(CN2CCN(Cc3ccc(C#N)cc3)CC2)n1 71794777 ZFKNHBRLFLSTEP-UHFFFAOYSA-N 325.416 2.212 30 40 EEEB CCO[C@@H]1C[C@H](N/C(=N/C)NCc2noc(C)n2)C12CCCCC2 97014067 DLVZRNJMOFWTCD-UONOGXRCSA-N 335.452 2.171 30 40 EEEB N#Cc1csc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1 84274892 YHHMCTNOKHRAIB-UHFFFAOYSA-N 340.408 2.049 30 40 EEEB CC(C)c1n[nH]c(/N=C(\O)COc2ccccc2-n2cnnc2)n1 95480295 NLNASMFREWQRDH-UHFFFAOYSA-N 327.348 2.176 30 40 EEEB C/N=C(/NCc1ccc2c(c1)OCCO2)NCc1ncccc1C 95963985 CUASUGPYKRHPMZ-UHFFFAOYSA-N 326.400 2.026 30 40 EEEB Cc1nc(C(=O)NCC#CCN2CCc3ccccc3C2)cs1 75164977 RKCSWZQTTJFAKK-UHFFFAOYSA-N 325.437 2.243 30 40 EEEB C/N=C(/NCCc1ccco1)N[C@H]1CCCN(c2ccccn2)C1 195564084 NNXVYCNQCZDNBE-HNNXBMFYSA-N 327.432 2.051 30 40 EEEB CS(=O)(=O)Cc1ccc(C(=O)N(CCC#N)CC2CCC2)cc1 71803310 JIZDACPGJSLFSH-UHFFFAOYSA-N 334.441 2.387 30 40 EEEB CCOc1cc(C(=O)OCC#N)ccc1OCC(=O)N1CCCCC1 10524999 FFSMTVUNLZSDOM-UHFFFAOYSA-N 346.383 2.157 30 40 EEEB CSc1nc(C)c(C)c(N2CCN(c3ncccc3C#N)CC2)n1 1888857248 UCJLYDJLAXAWBU-UHFFFAOYSA-N 340.456 2.409 30 40 EEEB O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2ccccc2)c2ccccc21 87816 SLJSYCVEWCUTDY-CYBMUJFWSA-N 343.342 2.228 30 40 EEEB O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2ccccc2)c2ccccc21 87820 SLJSYCVEWCUTDY-ZDUSSCGKSA-N 343.342 2.228 30 40 EEEB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(CCC#N)CC1 20717640 DLYDKAGWWRWNGF-QGZVFWFLSA-N 326.400 2.133 30 40 EEEB CNC(=S)N/N=C(C)\C=N/Nc1ccc(Br)cc1 104191907 FVARYXUILIRAMV-UOUVAZQYSA-N 328.239 2.317 30 40 EEEB N#Cc1cccc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 12984566 LBMSOCGOMRWQOB-QGZVFWFLSA-N 346.383 2.460 30 40 EEEB N#Cc1nccnc1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 69699352 UWTVNCSOQKHZOE-LLVKDONJSA-N 338.289 2.219 30 40 EEEB Cc1ccc(C(=O)NCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 8746674 YTLFSSSULOOPSN-AWEZNQCLSA-N 332.363 2.478 30 40 EEEB CCCn1c(C)cc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1C 7442313 FTEKFALDPFBROJ-UHFFFAOYSA-N 326.400 2.443 30 40 EEEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cc(F)ccc1F 69282604 BUHVLUMCPVHSOT-ONGXEEELSA-N 349.355 2.194 30 40 EEEB Cc1cc(C)nc([C@H](C#N)C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)n1 76820692 UBKKBVMAGCYFFR-MGPLVRAMSA-N 325.416 2.499 30 40 EEEB Cc1cnn(C[C@@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)c1 69453149 GOCGMBQHKLTDIO-IBGZPJMESA-N 340.427 2.233 30 40 EEEB CCc1nnc2n1C[C@@H](CNCc1cn3ccccc3c1C#N)CC2 69742626 PGOJXTQJQOGNMG-CQSZACIVSA-N 334.427 2.317 30 40 EEEB COC(=O)c1ccc(Br)cc1NC(=O)CSCC#N 585124391 AYUQXUKUDTTXBP-UHFFFAOYSA-N 343.202 2.431 30 40 EEEB COC1CCN(c2ccc(Cn3cc([N+](=O)[O-])c(C#N)n3)cc2)CC1 585133037 OJEFLKGHWCXYML-UHFFFAOYSA-N 341.371 2.326 30 40 EEEB CNC(=O)Cc1ccc(N[C@@H](C)C(=O)Nc2sccc2C#N)cc1 40497384 QGMGOJOPBFUWCT-NSHDSACASA-N 342.424 2.347 30 40 EEEB N#Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 40553262 KEKKYZJULYCWIC-KRWDZBQOSA-N 339.395 2.483 30 40 EEEB COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)c1OC 222590 YPUAKJFRIYBTEH-OAHLLOKOSA-N 326.356 2.317 30 40 EEEB CCCc1noc([C@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1 29452379 YTGPULCYMOABCC-ZDUSSCGKSA-N 326.404 2.172 30 40 EEEB N#Cc1c(Cl)nsc1N1CCN(C(=O)N2CCCCC2)CC1 44975205 HHDMPNPTMVWDGG-UHFFFAOYSA-N 339.852 2.396 30 40 EEEB N#Cc1cccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)c1 48265135 QXXAHDPOUZCZCU-UHFFFAOYSA-N 338.392 2.222 30 40 EEEB CC(C)N1C[C@@H](/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)CC1=O 48417993 JIXPEPMLGUGGDB-JTQLQIEISA-N 344.820 2.242 30 40 EEEB C[C@@H](CN1CCN(C)CC1)Nc1ccc(Br)cc1C#N 96008455 GRWLZRQTGNQGIG-LBPRGKRZSA-N 337.265 2.369 30 40 EEEB N#Cc1cnc(NCCNc2nnnn2-c2ccccc2)c(Cl)c1 95412712 DKEOSJOXWKHWOW-UHFFFAOYSA-N 340.778 2.106 30 40 EEEB Cc1ccc([C@H](CNC(=O)C#Cc2ccccc2)N2CCOCC2)o1 80504377 MVLKZBWOAPKZLW-SFHVURJKSA-N 338.407 2.129 30 40 EEEB C[C@@H](O)CNC(=O)c1cccc(OCc2ccc(C#N)c(F)c2)c1 195579728 KGKVIDJDKRRZPH-GFCCVEGCSA-N 328.343 2.387 30 40 EEEB N#Cc1ccsc1NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 97200499 IJVNJXWECZLJKB-ZDUSSCGKSA-N 341.440 2.387 30 40 EEEB N#Cc1cnc(N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c(Cl)c1 96483189 DZBZFUHKYOXGQE-CQSZACIVSA-N 348.834 2.214 30 40 EEEB C=C1CC[C@H]2[C@@H](C=C(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@@H]1O)C2(C)C 936070108 SDBITTRHSROXCY-TVMWCTMGSA-N 334.456 2.233 30 40 EEEB biogenic,in-vitro CCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2F)S1 5870234 AJQNWDDPQDOCFY-LLVKDONJSA-N 327.356 2.291 30 40 EEEB COc1cc(C(=O)O/N=C2/C=CC(=O)C=C2C)cc(OC)c1OC 13113820 SCOWMESNGFMXFR-AQTBWJFISA-N 331.324 2.310 30 40 EEEB CC(C)(C)OC(=O)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1 2569787 CVLCMHYNOJASNT-UHFFFAOYSA-N 334.328 2.254 30 40 EEEB in-vitro C=CCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C 3505673 FVMJHOQVMMPHNQ-UHFFFAOYSA-N 329.400 2.338 30 40 EEEB C/N=C1/S[C@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)N1C 100880406 VSHJUQWQJTVCPD-SBGIHMHXSA-N 343.355 2.176 30 40 EEEB C#CCOc1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)nc2)cc1 69869315 BCCXERPPQILUDN-FPYGCLRLSA-N 349.390 2.221 30 40 EEEB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC#N)cc2)C1=O 106744296 SNCJNULXJNRJQV-LCYFTJDESA-N 346.364 2.188 30 40 EEEB CNC(=O)NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N 10399413 PIGMBIHZJNSSOE-SSDOTTSWSA-N 346.334 2.217 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 65539010 ZODINPMXJURKOG-QFBILLFUSA-N 342.464 2.411 30 40 EEEB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(C#N)c1 7248188 FBKYYRWMGXJIQG-AWEZNQCLSA-N 344.392 2.019 30 40 EEEB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(CC#N)cc1 8126710 LKPGIOFZFPBDSJ-UHFFFAOYSA-N 334.383 2.379 30 40 EEEB Cc1ccc(C/N=C(/N)N2CCOCC2)c(OCC(F)(F)F)c1 97013736 CBVQCQMAGDPUOD-UHFFFAOYSA-N 331.338 2.083 30 40 EEEB CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCc2nccn2C1 72278725 LCRVBXMQOUBFJJ-YJBOKZPZSA-N 338.411 2.289 30 40 EEEB C/C=C/C=C/C(=O)[C@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 78729550 FJHLPDANTOHKEJ-XLGMLDIPSA-N 347.440 2.421 30 40 EEEB C#CCNC(=O)c1ccc(N2CCO[C@H](c3cccc(F)c3)C2)nc1 79031120 JEERIQSLLODDJR-KRWDZBQOSA-N 339.370 2.162 30 40 EEEB CCc1noc(CC)c1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 87236764 JHSDYESEHKPMCX-MRXNPFEDSA-N 332.448 2.034 30 40 EEEB C[C@@H](CC#N)N(C)S(=O)(=O)N(C)Cc1cc(Cl)ccc1F 225754592 KQIVEAWDLRZHOH-JTQLQIEISA-N 333.816 2.390 30 40 EEEB COCCOCCOc1ccc(C#N)cc1I 252478719 ATAALNBMQPNTIB-UHFFFAOYSA-N 347.152 2.205 30 40 EEEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C(\C)c2ccccc2)cc1 4683697 YETULPDGRFQQAD-LDADJPATSA-N 331.397 2.348 30 40 EEEB Cc1cnc(OC[C@]23CCC[C@H]2CN(c2nccnc2C#N)C3)nc1 1888863541 NRUKHAFMVCXGDQ-KBXCAEBGSA-N 336.399 2.132 30 40 EEEB CCc1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc(SC)n1 1888863558 PWBSZPCRTAJEOI-UHFFFAOYSA-N 340.456 2.354 30 40 EEEB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1C#N 28037623 CDQUSWDZQLTAIQ-UHFFFAOYSA-N 326.381 2.255 30 40 EEEB C=CCNC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 52269194 AOKLPHTWBOIKME-UHFFFAOYSA-N 325.771 2.133 30 40 EEEB N#Cc1ccsc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69664793 FGQUFYPMNZVQRR-INIZCTEOSA-N 341.436 2.111 30 40 EEEB COc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)N2CCCCC2)cc1OC 103502433 OGAYGSLLFMFKSX-PMGBHYCQSA-N 342.395 2.438 30 40 EEEB C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 106038209 XIMFUVRHJNMWOT-UHFFFAOYSA-N 341.455 2.366 30 40 EEEB Cc1nccn1-c1ncccc1NC(=O)COc1ccccc1C#N 57221686 GBCJBYXLSLCEOX-UHFFFAOYSA-N 333.351 2.465 30 40 EEEB O=[N+]([O-])c1cc(S(=O)(=O)/N=C2/CCCCCN2)ccc1Cl 13140401 QFQYKSPPXHGFMQ-UHFFFAOYSA-N 331.781 2.499 30 40 EEEB CCn1ncc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1C 5489538 XUXCBZSUJGNRQG-MRXNPFEDSA-N 329.400 2.352 30 40 EEEB C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 4785173 FVMHLIJHRGDVGZ-NSHDSACASA-N 335.341 2.173 30 40 EEEB C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(Cc2ccccc2)C1 71914229 YIGWYYNRNRZFDX-WBVHZDCISA-N 330.428 2.133 30 40 EEEB Cn1cc([C@H]2C[C@H]2/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)cn1 78556485 HSZYOFGGROEBRD-HZPDHXFCSA-N 345.424 2.358 30 40 EEEB COc1cc(/C=N\Nc2nc3ccccc3n3cnnc23)ccc1O 86069722 FFNZTSJHQQBFLS-NVMNQCDNSA-N 334.339 2.438 30 40 EEEB Cc1nn(C[C@@H](O)COc2ccc(C#N)cc2)cc1Br 97235806 VMMHPQTWZLLYKW-GFCCVEGCSA-N 336.189 2.266 30 40 EEEB Cc1cc(C)cc([C@@H](O)C/N=C(/O)Nc2nccc(N(C)C)n2)c1 330031948 GONDXMLXBWXNJI-AWEZNQCLSA-N 329.404 2.219 30 40 EEEB C=CCNC(=O)CSc1ncnc2c1cnn2-c1ccccc1 3550312 QDXQWDYLMLHFLA-UHFFFAOYSA-N 325.397 2.210 30 40 EEEB CCN(CC)C(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccccc2F)c1 103717352 PVIDCAYBEDZBRK-ZDUSSCGKSA-N 328.347 2.202 30 40 EEEB CCOc1cc(/C=N/N=C(N)N)ccc1OC(=O)c1cccc(C)c1 59399015 QEXJDTZRWLYCBQ-SRZZPIQSSA-N 340.383 2.220 30 40 EEEB Cn1cc(/C=C2/CSc3c(Cl)cccc3C2=O)c(=O)n(C)c1=O 96034936 IORNKBKWEKWNPZ-POHAHGRESA-N 348.811 2.109 30 40 EEEB C#CCOc1cccc(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c1 78612354 IRPXHEAKCAXKGE-KRWDZBQOSA-N 341.407 2.390 30 40 EEEB COCCN/C(=N/[C@H]1CCOc2ccccc21)NCc1ccco1 95405054 UBWZWOURQPLHIX-INIZCTEOSA-N 329.400 2.485 30 40 EEEB N#Cc1cc2cccnc2nc1NC[C@H]1CCC2(CCOCC2)[C@@H]1O 596227546 QPCZXXAYSXEDQX-GDBMZVCRSA-N 338.411 2.481 30 40 EEEB C=C(C)Cn1nc2c(=O)n(-c3ccc(C)c(Cl)c3)ccn2c1=O 2298071692 RVHDHTCMSLZPAI-UHFFFAOYSA-N 330.775 2.185 30 40 EEEB C=CCN(C(=O)c1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 69368443 AVTSAIGNYNPLOO-NSHDSACASA-N 342.486 2.256 30 40 EEEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccccc1[N+](=O)[O-] 22608015 JUHZVQBDDYNJDR-PSLIRLAXSA-N 325.328 2.454 30 40 EEEB CC(=O)Nc1cc(F)c(F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C 69420566 VSFFDULDINYBRX-INIZCTEOSA-N 338.358 2.390 30 40 EEEB C[S@](=O)c1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 64101983 NWZVLQPSLTXZNS-JBEBIEQOSA-N 342.424 2.232 30 40 EEEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)NC2CCCC2)cc1 69808480 FCZDVGLEPWLVRI-UHFFFAOYSA-N 337.445 2.356 30 40 EEEB Cc1nn(Cc2cc(Cl)cc3c2OCOC3)c(=O)c(C#N)c1C 7384560 YMKOBAFZRYCGLB-UHFFFAOYSA-N 331.759 2.300 30 40 EEEB CC(=O)N1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 71894606 AOOAJLSFQCVMAU-UHFFFAOYSA-N 343.427 2.234 30 40 EEEB Cc1cccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)C(=O)O)c1 547878956 ASTDSISJHMXOLB-OAHLLOKOSA-N 348.355 2.110 30 40 EEEB Cc1cc2c(N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nccn2n1 225492415 FRCXGVLKNHLRCD-MRXNPFEDSA-N 346.394 2.122 30 40 EEEB N#CCCN(C(=O)CN1CCCC1=O)C12CC3CC(CC(C3)C1)C2 133705167 KBDPTZUVSOXBAQ-UHFFFAOYSA-N 329.444 2.320 30 40 EEEB CN(C(=O)c1cc(C#N)c[nH]1)[C@H](CO)c1cccc(Br)c1 96487578 ZIMDAQTVPGBMSV-CQSZACIVSA-N 348.200 2.454 30 40 EEEB CCOC(=O)N1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 48514167 MFXWTRSFBXSCQV-UHFFFAOYSA-N 346.387 2.331 30 40 EEEB C/C(=N/NC(=S)N/N=C1\C(=O)Nc2ccccc21)c1ccccc1 5369793 AYXWGNHPMJMOHH-ODLFYWEKSA-N 337.408 2.231 30 40 EEEB CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)no3)c2C#N)C1 12422424 ZBYHECQFTJOEHX-UHFFFAOYSA-N 330.369 2.073 30 40 EEEB O=C1CCCC(=O)C1=CNc1ccc(C(=O)NC[C@H]2CCCO2)cc1 3623975 MWSZCNAEZJNSHV-OAHLLOKOSA-N 342.395 2.213 30 40 EEEB CC/N=C1/S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CC 100918848 IAJLMWPTQPYUOT-CMTMBAJVSA-N 335.429 2.364 30 40 EEEB Cc1nnnn1CCC(=O)N(CC#Cc1ccccc1)C1CCCC1 55108838 VNYGDKXDUPGQAH-UHFFFAOYSA-N 337.427 2.195 30 40 EEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 101305838 TZHILZQQHPRLHL-MMEFHMBZSA-N 338.454 2.006 30 40 EEEB CCOC(=O)N1CCC[C@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 25105784 WQBZPRHGMUTFTK-INIZCTEOSA-N 329.400 2.385 30 40 EEEB N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1cccc([N+](=O)[O-])c1 12655591 UQULVTWBZKVWPU-UHFFFAOYSA-N 344.283 2.175 30 40 EEEB C=C(C)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 12815080 JIZYCTREBHRGSG-IBGZPJMESA-N 342.395 2.493 30 40 EEEB COc1cccc(/C(O)=N/S(=O)(=O)c2cccs2)c1OC 48427074 CDNFRHVJZIZSCJ-UHFFFAOYSA-N 327.383 2.459 30 40 EEEB Cc1nc(CN2CCC[C@@H](NCc3cc(C#N)ccc3F)C2)no1 69664975 CAYWYDCSIBMMAQ-OAHLLOKOSA-N 329.379 2.143 30 40 EEEB N#CCN1CCC(NC(=O)c2cc(F)cc(Br)c2)CC1 69618816 DHUDJKJRYZTSAQ-UHFFFAOYSA-N 340.196 2.306 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cn1N 4251831 QRPBZHBMUFBXKC-KRWDZBQOSA-N 343.456 2.410 30 40 EEEB N#CC1(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCCCC1 14111090 WOAWHXZROSCNAY-UHFFFAOYSA-N 344.806 2.336 30 40 EEEB COc1ccc(C)cc1-n1ccc(C(=O)N[C@]2(C#N)CCSC2)n1 68541492 MQEVMQKTQLOMGG-KRWDZBQOSA-N 342.424 2.318 30 40 EEEB CN(Cc1nccn1C(F)F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 72766669 HPULQOOSFZZYPS-AWEZNQCLSA-N 345.353 2.387 30 40 EEEB C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 131956321 ZUKWNRPPVVGHLC-GFCCVEGCSA-N 332.379 2.125 30 40 EEEB N#Cc1ccc(OCCN2CCNC(=O)[C@@H]2c2cccs2)cc1 96443543 AJYVXDRLXQBAGL-INIZCTEOSA-N 327.409 2.172 30 40 EEEB C[C@H](O)[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 96497124 DJESYXFDJSHQIA-YXJHDRRASA-N 327.428 2.146 30 40 EEEB Cc1cccc(S(=O)(=O)N2CCC(c3cnco3)CC2)c1C#N 1615549296 MOPLQCJAUKSJEG-UHFFFAOYSA-N 331.397 2.423 30 40 EEEB COc1cccc(OC)c1/C=N/n1c(S)nnc1C(F)(F)F 6182478 VFRAVVJZUYYUMR-OMCISZLKSA-N 332.307 2.485 30 40 EEEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 5687076 YXZVRWVQISMPBS-WBMJQRKESA-N 338.363 2.041 30 40 EEEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-] 101021270 XKBCFGZEXNSYOH-AAIBBMNGSA-N 325.324 2.044 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccccc1 102866391 FBIOKSWIUSQVGO-IDTYTIONSA-N 327.336 2.348 30 40 EEEB CCOC(=O)/C(=N/C[C@H]1CCCO1)NNc1ccccc1Cl 3178871 SFMPLSNCCXLXBZ-LLVKDONJSA-N 325.796 2.397 30 40 EEEB COCCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 12659891 MUTNTWORRQUWBW-GJWPJNNNSA-N 337.460 2.140 30 40 EEEB biogenic COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc([N+](=O)[O-])c1O 408748933 CTWGIOBGEMCLLG-UUASQNMZSA-N 333.260 2.058 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cn(C)c2ccccc12 6589973 PSORKKDJNORQRR-SFHVURJKSA-N 327.384 2.390 30 40 EEEB COc1ccccc1NC(=O)C[C@H]1S/C(=N\CC(C)C)NC1=O 6887631 ACBLSCLZEDAOHP-CYBMUJFWSA-N 335.429 2.267 30 40 EEEB Cc1cc(F)cc2c(NC[C@@H]3CN(C)CCN3C)c(C#N)cnc12 96429466 USPIFRNDQDKLHQ-OAHLLOKOSA-N 327.407 2.212 30 40 EEEB C=CCOc1ccc(CN(CCO)C2CCN(C)CC2)cc1OC 95430356 ZNQWFAJLRFAETP-UHFFFAOYSA-N 334.460 2.149 30 40 EEEB C/N=C(\NCc1sc(C)nc1C)NC[C@@H]1COc2ccccc2O1 95963853 CJSWGHOOKUIMTL-CYBMUJFWSA-N 346.456 2.265 30 40 EEEB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)CCC3)cc(OC)c1OC 67294 YXRHHRQJPSGUEK-HNNXBMFYSA-N 332.356 2.073 30 40 EEEB N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=O)N3 100218836 QFRCSMYVSDZNDF-LNMJFAINSA-N 332.363 2.318 30 40 EEEB C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 6156806 ODYSOIBJTDPGMU-JTQLQIEISA-N 342.804 2.193 30 40 EEEB COc1ccc(C(=O)[C@H](C#N)C(=O)NCc2ccccc2)cc1OC 103503543 YNBJVRVULKOWNY-HNNXBMFYSA-N 338.363 2.343 30 40 EEEB N#Cc1cccc(NC(=O)Cn2c(=O)cnc3cc(F)c(F)cc32)c1 69581710 ZUBBEUJEMFWWNQ-UHFFFAOYSA-N 340.289 2.185 30 40 EEEB O=C(O)COc1ccc2c(c1)O/C(=C\c1ccc(C(=O)O)cc1)C2=O 9419065 OALZMAHAJXVZEH-CHHVJCJISA-N 340.287 2.464 30 40 EEEB C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccc(OC)cc2)CC1 72268172 DNMDTKHUBONIEN-SFHVURJKSA-N 347.459 2.068 30 40 EEEB Cc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(CC#N)cc1 95433119 QUZRCWZYHICTFU-QGZVFWFLSA-N 330.409 2.073 30 40 EEEB CC(C)n1nccc1NC(=O)[C@@H](C#N)c1nnc2n1CCCCC2 95455101 HFXOHPPEBMFWCV-LBPRGKRZSA-N 327.392 2.028 30 40 EEEB N#C[C@H](C(=O)[C@H]1CCCCN1C(=O)c1cccnc1)c1ccccn1 95443087 XMTDFWXHNOVMRR-DOTOQJQBSA-N 334.379 2.348 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 89794071 HPWANMSJRNMILG-MRXNPFEDSA-N 340.358 2.455 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218344719 JPIYBDSJJAMLLX-HLLBOEOZSA-N 335.425 2.223 30 40 EEEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 225663299 JDXNECAAZMFQKI-ULQDDVLXSA-N 329.352 2.474 30 40 EEEB Cc1cccc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)c1C#N 570186112 JDWLRROGHCDSOZ-HUUCEWRRSA-N 332.425 2.056 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)Sc2ccccn2)CC1 84972550 DVVPMTNVLZSHNO-LSDHHAIUSA-N 332.473 2.255 30 40 EEEB N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H](N)c1c(F)cccc1F)C2 1580072409 QXQIFVWGKAFTKT-DYVFJYSZSA-N 327.334 2.120 30 40 EEEB Cc1cc(C#N)cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)n1 585128713 LOKMVSYHKAJLAV-LLVKDONJSA-N 329.381 2.386 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 69418180 XWYKOMMRQZVZQN-OAHLLOKOSA-N 336.399 2.447 30 40 EEEB C/N=C1/S/C(=C\c2cn(CC(=O)O)c3ccccc23)C(=O)N1C 4498957 CEOZEKGXMQJOGT-RLUAEEPSSA-N 329.381 2.258 30 40 EEEB COc1cc(N2CCC[C@H](COc3cc(C#N)ccn3)C2)ncn1 1889109328 OOISLDVTJDKPSR-AWEZNQCLSA-N 325.372 2.047 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(N2CCOC2=O)c1 31720027 RIDCDPMDCZNVFK-UHFFFAOYSA-N 343.364 2.316 30 40 EEEB C#CC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 103630066 PLKWEVUMSNPOQP-WCXALAEXSA-N 328.432 2.079 30 40 EEEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\O)C[C@@H]1CCCO1 48451242 OZCNBQVTNQGAHA-NSHDSACASA-N 328.346 2.118 30 40 EEEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)[C@H]2CC(=O)N(C(C)C)C2)c1 48472264 RZFZZULODSXTNS-ZDUSSCGKSA-N 338.429 2.206 30 40 EEEB CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)O)S2)cc1 6480832 RVOMZLJKDLSPIS-VGSSETLESA-N 349.412 2.262 30 40 EEEB COCCNc1nnc(SCC(=O)Nc2ccc(C#N)cc2)s1 6428234 DRFATSDMVIWNOR-UHFFFAOYSA-N 349.441 2.199 30 40 EEEB Cn1cc(C#N)cc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 97013118 ZCLXYGMUGPSMEB-OAHLLOKOSA-N 337.301 2.077 30 40 EEEB C=C(Br)CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1 75928037 JJJNOGIQHUBJHX-SECBINFHSA-N 329.160 2.286 30 40 EEEB C/N=C(/NCc1nc(C)no1)NCc1ccccc1OC(C)(C)C 95963370 NCGFUIFUZGIIMW-UHFFFAOYSA-N 331.420 2.421 30 40 EEEB C#CC[C@H](CC(F)(F)F)NC(=O)c1ccc(N2CCCC2)nn1 521394794 LQKCUUQRPQZVFY-LLVKDONJSA-N 326.322 2.151 30 40 EEEB Cc1ccc(CN2C[C@@H]3COC[C@]3(COc3ccc(C#N)cn3)C2)o1 96109096 HKCIZNPVDXNWHE-APWZRJJASA-N 339.395 2.382 30 40 EEEB CCN(Cc1ccc(C(=O)N2CC[C@](O)(CC#N)C2)cc1)C(C)C 585089853 OSUGZHGBGYKRQH-LJQANCHMSA-N 329.444 2.408 30 40 EEEB CC1=CC(=O)/C(=C/n2c(=S)[nH]c3ccc([N+](=O)[O-])cc32)C(=O)O1 5733690 XDEVNFBVDHJJMS-TWGQIWQCSA-N 331.309 2.478 30 40 EEEB Cc1nn(C[C@H](O)COc2ccc3ccccc3c2)c(=O)c(C#N)c1C 28915636 GWQACACUOOFYKH-KRWDZBQOSA-N 349.390 2.325 30 40 EEEB N#Cc1ncccc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1776009293 ZUIZPPRXXGHJNE-UHFFFAOYSA-N 327.409 2.396 30 40 EEEB O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2ccccn2)c1 16956426 RDCVTVGOVYRBGL-CXUHLZMHSA-N 326.341 2.419 30 40 EEEB N#Cc1ccc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 52358581 LANRZPLRBKCHBV-UHFFFAOYSA-N 342.424 2.350 30 40 EEEB Cc1cc(C)n(C[C@H]2CCCCN2CC(=O)N[C@](C)(C#N)C2CC2)n1 106783959 PFJSEDKJZUENGZ-IEBWSBKVSA-N 343.475 2.163 30 40 EEEB CCc1noc([C@@H](C)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 44915119 RXPFOBQRQKNGFL-LLVKDONJSA-N 342.403 2.252 30 40 EEEB CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 10515440 XLRMMPMLBYEKPS-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)COc1ccc(CC#N)cc1 69528664 BKLFRFXIJCIGRT-MSOLQXFVSA-N 327.428 2.217 30 40 EEEB C=CC1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 97050586 CCUHQRARHWTACB-HUUCEWRRSA-N 332.425 2.115 30 40 EEEB CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cn3cccnc3n2)c1 72892961 LWFDHBHYOOUQCK-AWEZNQCLSA-N 335.367 2.340 30 40 EEEB O=C1CSC(=S)N1/N=C\c1ccc(O)c(Br)c1 409346573 NESFZJCMIWSGQS-QCDXTXTGSA-N 331.216 2.349 30 40 EEEB C=CCn1nc(-c2ccc(OC)c(OC)c2)cc(C(=O)OCC)c1=O 225964296 DVKAKMXMUNGLQS-UHFFFAOYSA-N 344.367 2.290 30 40 EEEB C[C@H]1CN(C(=O)c2cc(F)c(F)c(F)c2F)C[C@@H](C)N1CC#N 585126638 DYRQDBANFVLUMY-DTORHVGOSA-N 329.297 2.301 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)N2CCC(C(=O)OC)CC2)cc1 265140326 MVDWGINGUVJOIZ-UHFFFAOYSA-N 345.399 2.019 30 40 EEEB Cc1cc(N2CCN(c3nc(C)cc(C#N)n3)CC2)nc(C(C)C)n1 390835553 QNGSXAHFVSHYLO-UHFFFAOYSA-N 337.431 2.205 30 40 EEEB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)C(C)(C)C#N 72288465 ZKFZXIWZAGFIFA-NEPJUHHUSA-N 339.436 2.413 30 40 EEEB C=CCc1cccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)c1O 16681455 IRFMJGPJPFILEN-UHFFFAOYSA-N 344.436 2.500 30 40 EEEB CC(C)c1cc(/C(O)=N/S(=O)(=O)N2CCCC2)nn1C(C)(C)C 52771366 UJLDWJZFOXCHIJ-UHFFFAOYSA-N 342.465 2.407 30 40 EEEB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1C#N 22279138 YAKVBNGSHKPQHP-UHFFFAOYSA-N 330.365 2.108 30 40 EEEB COc1ccc(-c2cc(=O)n3nc(SCCC#N)nc3[nH]2)cc1 9936148 XGLCWIJIDTVCFP-UHFFFAOYSA-N 327.369 2.099 30 40 EEEB C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 28417673 UNXSISGXIGRXPF-AWEZNQCLSA-N 339.399 2.009 30 40 EEEB CC(C)Cc1nc(N2CCNCC2)c(C#N)c2c1COC(C)(C)C2 4769663 IDLYNSHPKMAMNG-UHFFFAOYSA-N 328.460 2.413 30 40 EEEB O=C(C#Cc1ccccc1)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 80640933 ZJHVSSGZDWAJRN-LJQANCHMSA-N 344.374 2.257 30 40 EEEB CCCN(CC#N)C(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 69391014 RSLWZTYQXYARPS-UHFFFAOYSA-N 332.429 2.296 30 40 EEEB CC(=O)NCC1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 69440922 QKSFLXLFIQMFDU-UHFFFAOYSA-N 345.447 2.495 30 40 EEEB C#CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 72268228 SWCUXJVZCACLIJ-CZUORRHYSA-N 331.372 2.480 30 40 EEEB N#Cc1cccnc1N1CCCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 95987209 XSMAKLFDJFNHDI-OALUTQOASA-N 334.423 2.124 30 40 EEEB Cc1cc([C@H]2CCCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n[nH]1 89599021 JPOWTANSJZRTNB-IRXDYDNUSA-N 340.427 2.209 30 40 EEEB CCOc1cc(/C=N\N2C(=O)CSC2=S)ccc1OC(C)=O 409332196 QIPIVODLVFSGGS-CHHVJCJISA-N 338.410 2.205 30 40 EEEB N#Cc1ccc(OC[C@]23COC[C@H]2CN(Cc2ccoc2)C3)nc1 96109092 QGVJFSKIRRLWJF-AEFFLSMTSA-N 325.368 2.074 30 40 EEEB C=CCOc1ccccc1C(=O)N[C@H]1C[C@@H](N2CCOCC2)C1(C)C 585130522 SPWSORJNTCYWRS-ZWKOTPCHSA-N 344.455 2.481 30 40 EEEB Cc1cc(C(=O)NCC#CCOc2ccc3c(c2)OCO3)c(C)o1 90730850 RIHAVMWFXPZERD-UHFFFAOYSA-N 327.336 2.437 30 40 EEEB Cc1noc([C@@H](C)N2CCN(Cc3ccc(F)cc3C#N)CC2)n1 69376418 HMSMMPFHOVYJSA-GFCCVEGCSA-N 329.379 2.268 30 40 EEEB COc1ccc(CN2CC(=O)C(c3nc(C)cs3)=C2N)cc1OC 13693071 LZIGTVZICZKOJU-UHFFFAOYSA-N 345.424 2.181 30 40 EEEB C=CC[C@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4028756 WSHQZPHRZYRCMK-MZZPOWALSA-N 341.363 2.011 30 40 EEEB biogenic C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(NC(C)=O)cc1 58264434 FGSMWFLAORSJJZ-UHFFFAOYSA-N 336.335 2.384 30 40 EEEB C=CCNC(=O)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12765282 GZFSAGHCANKVSN-AATRIKPKSA-N 349.441 2.141 30 40 EEEB O=C1C[C@@H](/C(O)=N/S(=O)(=O)c2ccccc2)CN1c1ccccc1 48406165 NSTNEGLFDRBBRO-CYBMUJFWSA-N 344.392 2.385 30 40 EEEB CN1CCC(C#N)(NC(=O)c2ccc(F)c(Br)c2)CC1 80088213 QZLOYDBXDXUIKA-UHFFFAOYSA-N 340.196 2.306 30 40 EEEB CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](C)O1 110625255 KUWDMGVAUOUFQR-ZWNOBZJWSA-N 328.821 2.400 30 40 EEEB COc1cccc(/C=N\Nc2nc3ccccc3n3cnnc23)c1O 86069521 WBDRUDFQAILJPA-NVMNQCDNSA-N 334.339 2.438 30 40 EEEB N#CCCn1ncc2c(N3CCO[C@H](c4ccccc4)C3)ncnc21 97199915 CGXKOSYWAFIGIJ-INIZCTEOSA-N 334.383 2.318 30 40 EEEB CCc1ccc(/C(O)=N/S(=O)(=O)c2ccc(NC(C)=O)cc2)o1 48420327 PCBLIJHDYBHPOI-UHFFFAOYSA-N 336.369 2.494 30 40 EEEB COc1ccc(NC(=O)CO/N=C(\N)c2ccsc2)c(OC)c1 40466406 JXAADZGHCVVGNK-UHFFFAOYSA-N 335.385 2.041 30 40 EEEB C[C@@H](C(=O)[C@H](C#N)C(=O)NC1CCCC1)N1CCc2ccccc2C1 101831585 ZBZQSMAWLHGNEC-KSSFIOAISA-N 339.439 2.201 30 40 EEEB CCc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CC(OC)OC)cc1 813451 LDWJLBOXIBSYLK-INIZCTEOSA-N 333.384 2.152 30 40 EEEB CC(=O)/C(=C/n1ccc(=O)[nH]c1=S)C(=O)Nc1ccccc1C 1636495 AIPBUQXGTQFABG-XFXZXTDPSA-N 329.381 2.283 30 40 EEEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cccc(C)c1 4099501 MQFJELARWFGEHX-PVXIVEMSSA-N 327.380 2.251 30 40 EEEB COC(=O)c1ccccc1NC(=O)/C=N/OCCOc1ccccc1 32957787 GRGYQHLJCCWMTG-CPNJWEJPSA-N 342.351 2.493 30 40 EEEB CC/N=C1/S/C(=C2\C(=O)N(C(C)=O)c3ccccc32)C(=O)N1CC 2702287 ROINWVKWMJGHFN-DQRBBIAISA-N 343.408 2.262 30 40 EEEB C=CCc1cc(CN2CCN(c3ncccn3)CC2)c(O)c(OC)c1 24001900 WEJYCNOEXOICCX-UHFFFAOYSA-N 340.427 2.242 30 40 EEEB N#CCc1cccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 71900086 XEYHXJGWFYHXFI-INIZCTEOSA-N 337.354 2.427 30 40 EEEB C=CCO[C@@H](C)C(=O)Nc1nc(C)c(-c2nnc(S)n2C)s1 58344131 YYGQTTSPIMDGEM-QMMMGPOBSA-N 339.446 2.065 30 40 EEEB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N\NC(=N)N[N+](=O)[O-])o1 408718170 NYMGPLNKAIGCQF-APSNUPSMSA-N 346.303 2.111 30 40 EEEB CCn1c(Cn2nc(C)c(C)c(C#N)c2=O)nc2c(F)cccc21 69512344 OXKXEHYHCNSDSX-UHFFFAOYSA-N 325.347 2.289 30 40 EEEB CCn1cnnc1CN/C(=N/C)NCc1ccc(C(F)(F)F)cc1 95397755 VAXYJBFCLYTCSD-UHFFFAOYSA-N 340.353 2.182 30 40 EEEB N#Cc1ccnc(N2CCN(c3cncc(Br)c3)CC2)c1 95403050 WDBNTCCJAXCGEF-UHFFFAOYSA-N 344.216 2.437 30 40 EEEB CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3cccc(C#N)c3)C2)C1 96226299 TUIWXSPDUXUJLJ-LJQANCHMSA-N 342.443 2.347 30 40 EEEB COc1ccc(S(=O)(=O)N(CCC#N)CC2CC2)c(C)c1F 96501587 GLLBIAXLFPHAAH-UHFFFAOYSA-N 326.393 2.457 30 40 EEEB C=C1CCN(c2cccc(S(=O)(=O)N3CCC[C@H]4C[C@H]43)n2)CC1 1615046316 PJYSOLYAGUIEAY-LSDHHAIUSA-N 333.457 2.411 30 40 EEEB N#Cc1ccc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cn1 2298036509 NLUZTXUNCRZGAA-CYBMUJFWSA-N 334.370 2.427 30 40 EEEB N#Cc1ccc(OCC(=O)NCc2ccc(-n3cccn3)cc2)cc1 40105149 ZXHCLKFHMDYCII-UHFFFAOYSA-N 332.363 2.439 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 51584208 OINDPHCDECLTMG-UHFFFAOYSA-N 333.697 2.230 30 40 EEEB C=CCn1c(O)c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 1244973 YYLUCUPCHAEELA-UHFFFAOYSA-N 335.363 2.218 30 40 EEEB Cc1cccc(NC[C@H]2CCCN2CC(=O)N[C@](C)(C#N)C(C)C)n1 106855255 WZBXUYNGIZNXLP-VQIMIIECSA-N 343.475 2.321 30 40 EEEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ncccc2C)cc1 12515586 YQIOWRYVXAOEEQ-UHFFFAOYSA-N 331.397 2.107 30 40 EEEB O=C(/C=C/NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)F 12523847 OCBPERLPGGXJSS-VBROQKIQSA-N 346.324 2.434 30 40 EEEB N#Cc1c(NC(=O)CN2CCC[C@@H]2CO)sc2c1CCCCC2 63512703 JRMMTTACHWLZKH-GFCCVEGCSA-N 333.457 2.284 30 40 EEEB COc1ccc(NC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc1 4699041 PYKTYWMZRZQHSO-UHFFFAOYSA-N 339.351 2.161 30 40 EEEB N#Cc1ccccc1OCC(=O)NCCc1ccc2c(c1)OCCO2 5638078 HSRFHNZXMXZWLC-UHFFFAOYSA-N 338.363 2.067 30 40 EEEB C/N=C(\NCCCOC[C@@H]1CCCO1)NCc1ccc(COC)cc1 95397725 CNTJYDMDIZWRHH-SFHVURJKSA-N 349.475 2.084 30 40 EEEB N#CCCCS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 95988835 NQDNZMQNNPBBQE-ZDUSSCGKSA-N 327.837 2.142 30 40 EEEB CC/N=C(\NCc1cc(CC)no1)NC[C@H]1COc2ccccc2O1 95963970 FOBPJLGYOHVXBG-HNNXBMFYSA-N 344.415 2.132 30 40 EEEB CC[C@H](CNS(=O)(=O)CC#N)Cc1cccc(Br)c1 89943652 SRHGZIKBUIIIOP-NSHDSACASA-N 345.262 2.461 30 40 EEEB C=CCN(CC=C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1 71771921 WOOCPVYWSSJDNP-UHFFFAOYSA-N 330.413 2.070 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(C#N)CO)cc1 225634029 DXSQVZVQDKDNSR-KZNAEPCWSA-N 327.405 2.437 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)cc1C(F)(F)F 95441146 BEFYEEVAMCJKGD-GXFFZTMASA-N 348.346 2.016 30 40 EEEB C=CCOC[C@H]1CN(C(=O)NCc2ccccc2)Cc2nccn2C1 96187858 LBCVTIWLTRXDHB-QGZVFWFLSA-N 340.427 2.427 30 40 EEEB COc1cccc(OC/C(O)=N/S(=O)(=O)c2cccs2)c1 48450415 MRFTXWTWEMNAJX-UHFFFAOYSA-N 327.383 2.481 30 40 EEEB Cc1csc(CCN[C@H](c2cccc(C#N)c2)P(=O)(O)O)n1 13016436 YQBFAEZZNTYAMU-AWEZNQCLSA-N 337.341 2.332 30 40 EEEB CC(C)(C)N1C(=O)OC2(CCN(c3cccnc3C#N)CC2)C1=O 2087082634 GBZOUYNBJGDJCW-UHFFFAOYSA-N 328.372 2.070 30 40 EEEB C#CCN1c2ccccc2C(=O)N2[C@H]1c1ccccc1C(=O)N2CC#C 4708742 ABEXROUWUJSZKJ-IBGZPJMESA-N 341.370 2.285 30 40 EEEB C[C@H]1CCCC/C1=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 101525229 BZRVYCIIDHUXRX-CQKLXZJXSA-N 326.378 2.220 30 40 EEEB C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)NCCC1=CCCCC1 7046110 ASACDKGQWSAQLQ-LLVKDONJSA-N 331.445 2.418 30 40 EEEB CN1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)c2cc(F)ccc21 77359943 LJYSGNAOWXCOKV-SFHVURJKSA-N 330.407 2.280 30 40 EEEB Fc1cccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)c1 5626229 PNJCBSBNZUBJCE-CAOOACKPSA-N 328.376 2.467 30 40 EEEB C=CCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 69283406 BIZFMRFMCAGOLC-LLVKDONJSA-N 341.385 2.084 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 9470246 FWXQHJDHTPKWGC-QFBILLFUSA-N 328.460 2.252 30 40 EEEB C#CCOc1ccc(NC(=O)N2CCN(Cc3ccon3)CC2)cc1 96434752 ZOQPPUCFOUDBKA-UHFFFAOYSA-N 340.383 2.036 30 40 EEEB CC(C)[C@H](C#N)N1CCN(Cc2nccn2CC(F)(F)F)CC1 71897195 GCOQLQIWRWNXLE-ZDUSSCGKSA-N 329.370 2.111 30 40 EEEB C=CCN(CC=C)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241421 FAASMOJIOSLCGB-DLBZAZTESA-N 348.830 2.439 30 40 EEEB CCCN1CCC(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)CC1 79002098 BVIXLOXVWMEZMC-UHFFFAOYSA-N 346.519 2.479 30 40 EEEB C#C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCO1 521393978 OWTHZKRVALNESY-UONOGXRCSA-N 335.787 2.412 30 40 EEEB C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 195530606 LJCCQWIUTCLMON-GDBMZVCRSA-N 345.418 2.481 30 40 EEEB COC(=O)c1cc(CN2CCN(c3ccc(C#N)cc3F)CC2)c[nH]1 92612826 SUZIDXXSHXQCMW-UHFFFAOYSA-N 342.374 2.134 30 40 EEEB C=C(C)CN1CCC(NC(=O)NCc2ccc([S@](C)=O)cc2)CC1 96456712 AZXCGJYDWGODIC-XMMPIXPASA-N 349.500 2.264 30 40 EEEB CCc1c(C)sc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1C#N 68677184 QIUSICUAIYYNTD-UHFFFAOYSA-N 346.368 2.199 30 40 EEEB C#CCN(CC(F)(F)F)C(=O)c1cnn(-c2ccc(F)cc2)n1 78081255 PIXQETILLHRVDL-UHFFFAOYSA-N 326.253 2.044 30 40 EEEB CSc1nc(C)c(C)c(N2CCN(c3cc(C#N)ccn3)CC2)n1 1888857235 OTBQZCPZIAYXMP-UHFFFAOYSA-N 340.456 2.409 30 40 EEEB N#Cc1ccc(N2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2086939623 LEACVVLSDJCYBS-OAHLLOKOSA-N 335.354 2.021 30 40 EEEB CCOc1cc(/C=N/n2cnnc2-n2nc(C)cc2C)ccc1O 89765 HEHBKGBFOOCIDA-GIJQJNRQSA-N 326.360 2.067 30 40 EEEB CCOC(=O)C1=C(Nc2ccc(OC(F)(F)F)cc2)OCC1=O 170597 OPNBLMHHTRKOLV-UHFFFAOYSA-N 331.246 2.371 30 40 EEEB C#CCN1C(=O)[C@](O)(CC(=O)c2ccccc2OC)c2ccccc21 299946 OZIVDVLMBBNGJV-FQEVSTJZSA-N 335.359 2.136 30 40 EEEB CCOC(=O)c1cc(C(=O)Nc2sc(C)c(C)c2C#N)n(C)n1 2798386 SKWAQTATGSTCLG-UHFFFAOYSA-N 332.385 2.399 30 40 EEEB CCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C#N)cc3)n2)cc1 26779698 MJBLIBKGOILUQW-UHFFFAOYSA-N 348.366 2.249 30 40 EEEB CC[S@+](C)CC[S@+](C)CC[S@@+](C)CC[S@@+](C)CC 100930237 KSFVLIQDMPBFDX-BRSBDYLESA-N 330.694 2.019 30 40 EEEB C#CCCN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 64658443 AJMWAIVWZSQPRC-UHFFFAOYSA-N 342.830 2.307 30 40 EEEB Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)c(C#N)c1C 65463704 FKMWCHBTVFYGMR-UHFFFAOYSA-N 328.807 2.340 30 40 EEEB CS[C@H]1CCC[C@H]1NS(=O)(=O)Cc1cc(C#N)ccc1F 95980839 QNGVRTIQRMZHHU-KGLIPLIRSA-N 328.434 2.401 30 40 EEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)N4CCCC4)C3)CC2=O)cc1 96238831 CXQHOULWVLFIRZ-IBGZPJMESA-N 338.411 2.203 30 40 EEEB C=C(C)CN(CC)C(=O)c1ccccc1C(=O)N1CCN(C)CC1 96427135 MBHZZUQXIYVGOG-UHFFFAOYSA-N 329.444 2.112 30 40 EEEB COc1ccccc1OCc1ccc(/C(O)=N/S(C)(=O)=O)o1 48486719 LMIALINWZNLBPJ-UHFFFAOYSA-N 325.342 2.131 30 40 EEEB COCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 4540502 OCRJIPVFDAEIMJ-INIZCTEOSA-N 349.383 2.025 30 40 EEEB N#Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 14140076 HRLKGJVLDCASBR-LJQANCHMSA-N 335.407 2.189 30 40 EEEB CCCCCCCCCOC(=O)[C@H](CC(=O)O)N1CCOCC1 8829134 ICFYFSBXKOOUGB-HNNXBMFYSA-N 329.437 2.456 30 40 EEEB CC[C@H]1CN(/C(=N/C)NCc2nncn2C)CC[C@H]1c1ccccc1 97021803 GCYUWWDRNLZBEW-DOTOQJQBSA-N 340.475 2.406 30 40 EEEB COCCCCN/C(=N/[C@H](C)[C@H]1CCCO1)NCc1ccccn1 71804095 ROWWRHMVNGDMJT-NVXWUHKLSA-N 334.464 2.111 30 40 EEEB C=CCNC(=O)c1ccc(N(C)C[C@H](O)c2ccc(F)cc2)nc1 83859025 XFEQUSZTHDBFDB-INIZCTEOSA-N 329.375 2.306 30 40 EEEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@H](c2nccs2)C1 97203666 OLNJNJGDSIMNMI-KGLIPLIRSA-N 348.472 2.248 30 40 EEEB COC(=O)c1cccc(Cn2cc(Br)ccc2=O)c1C#N 95439389 QRXRYVBHLKNHGR-UHFFFAOYSA-N 347.168 2.317 30 40 EEEB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C#Cc2ccccc2)n1 95406185 HCZAVKNQROSCPI-KRWDZBQOSA-N 333.391 2.371 30 40 EEEB N#CC1(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)CC1 89800357 UQFONSXIDJAMAA-UHFFFAOYSA-N 336.395 2.299 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N1CC[C@H](c2ccc(OC)cc2)C1 97227576 ZDGWKDCYHUZNQQ-HNNXBMFYSA-N 343.431 2.342 30 40 EEEB N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccc2c(c1)CCC2 163717683 AHPZCSRJRAQYPH-UHFFFAOYSA-N 348.406 2.451 30 40 EEEB CCN(CC)c1ccc(/C=N/N2C(=O)N[C@](C)(CC)C2=O)c(O)c1 3528327 VAUNWVACKTUSRM-AUUUKSDWSA-N 332.404 2.293 30 40 EEEB N#Cc1cccc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 76048114 XFAYYGDVUYMWEA-GOSISDBHSA-N 327.428 2.162 30 40 EEEB COc1cc(C#N)c(/N=C(/SCC#N)N2CCOCC2)cc1OC 13142608 GTAPIZIIQFEHKJ-KNTRCKAVSA-N 346.412 2.152 30 40 EEEB CCCOc1c(Cl)cc(/C=N/N2CC(=O)NC2=O)cc1OCC 8217311 GEOSWLBJULWLDR-CAOOACKPSA-N 339.779 2.413 30 40 EEEB C/N=C1\S/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C(=O)N1C 17167018 IJZNKIIVZLXZOJ-PYMZAMRJSA-N 340.788 2.335 30 40 EEEB C#CCN(Cc1ccco1)C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 71883267 UAJAVJZAJKFQKQ-UHFFFAOYSA-N 337.379 2.434 30 40 EEEB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 71903742 PUUHPEIJMCWLCI-WBVHZDCISA-N 342.443 2.197 30 40 EEEB Cc1ccc(NCCCNc2ncnc3c2cnn3CCC#N)nc1 97200225 FGVUOSJQVCWPBI-UHFFFAOYSA-N 336.403 2.358 30 40 EEEB CN(C)CCn1nnnc1SCc1ccccc1C(C)(C)C#N 95425866 ZFZMRGWSZVXERR-UHFFFAOYSA-N 330.461 2.328 30 40 EEEB CC(C)(C)OC(=O)N[C@H](COS(C)(=O)=O)Cc1ccccc1 34171315 CIRITGBVSKUMAF-ZDUSSCGKSA-N 329.418 2.099 30 40 EEEB N#Cc1cccnc1NCCNC(=O)Cc1ccccc1OC(F)F 96411205 DNVBBQZDRMHNTM-UHFFFAOYSA-N 346.337 2.325 30 40 EEEB Cc1nc(CN2C[C@H]3OC[C@H](COc4cccc(C#N)c4)[C@H]3C2)c[nH]1 96216922 VNGKGWSUWSRXLI-KFKAGJAMSA-N 338.411 2.116 30 40 EEEB N#Cc1cc(NC(=O)NCCCCN2CCC[C@@H]2CO)ccc1F 96434617 XZPTYCHXTHCXLZ-OAHLLOKOSA-N 334.395 2.056 30 40 EEEB CC(C)Cc1ccc([C@H](C)NC(=O)Cn2nc(C#N)ccc2=O)cc1 1615054830 BFXJXNNCFQADOC-AWEZNQCLSA-N 338.411 2.191 30 40 EEEB COCC[C@@H](NS(=O)(=O)c1cc(C#N)ccc1C)c1cccnc1 1616040240 AOOSWGFDOBLXRB-MRXNPFEDSA-N 345.424 2.318 30 40 EEEB C/N=C1/S[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)C(=O)N1C 3539420 YHPCNSRPOXPFKO-KTEBKFLVSA-N 341.820 2.237 30 40 EEEB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 2642305 ZIJMVSRTJRVXQP-UHFFFAOYSA-N 335.410 2.122 30 40 EEEB N#Cc1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 4583655 BRNCZYPBTFWKEP-UHFFFAOYSA-N 332.363 2.337 30 40 EEEB CCN1CCN(c2oc(COc3ccccc3F)nc2C#N)CC1 108395 OXSMNPLLKYUFER-UHFFFAOYSA-N 330.363 2.406 30 40 EEEB COc1ccccc1/C=N\NC(=N)N/N=C/c1ccccc1OC 4801975 IENIGYDXVJYENX-UHWBUFEVSA-N 325.372 2.186 30 40 EEEB NC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc2ncsc2c1 103007025 MZGNHVJYXSOJKJ-ZHZULCJRSA-N 336.380 2.383 30 40 EEEB CN1C(=O)C[C@H](C(=O)Nc2cccc(F)c2C#N)[C@H]1c1cccnc1 76040734 HUAFCVLVEUVPFC-YVEFUNNKSA-N 338.342 2.250 30 40 EEEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O 100895810 PCMNADZKATXNNI-QORHXFOUSA-N 330.406 2.244 30 40 EEEB C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1nnnn1-c1ccccc1 71909176 KZENUKXUFJOBHI-GFCCVEGCSA-N 333.355 2.417 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1NCCc1ccc(F)cc1F 84344272 QKLIBWFFAQNBEO-UHFFFAOYSA-N 337.351 2.138 30 40 EEEB CCNC(=O)c1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)ccn1 95395751 SOJWPBGNBMPMHB-UHFFFAOYSA-N 349.438 2.025 30 40 EEEB C[C@@H](C(=O)Nc1nc2n(c1C#N)CCS2)c1ccc2c(c1)OCO2 574048143 QQEKRKQLDSWVTI-SECBINFHSA-N 342.380 2.331 30 40 EEEB CN(C[C@@H]1Cc2ccccc2CO1)S(=O)(=O)c1ccc(C#N)cc1 225791131 NJQBVAGNNYUJEC-KRWDZBQOSA-N 342.420 2.320 30 40 EEEB O=C(NCC#Cc1ccccc1)N1CCC(OC[C@H]2CCCO2)CC1 96459711 LPYGBFQSVJKELK-LJQANCHMSA-N 342.439 2.408 30 40 EEEB COc1cc(NS(=O)(=O)C[C@H]2CCCCO2)c(F)cc1C#N 585136952 ZYHASGDCAUGKJP-LLVKDONJSA-N 328.365 2.017 30 40 EEEB C[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)N1CCCCC1 57226707 AYIIIKLPORNRFA-AWEZNQCLSA-N 345.468 2.309 30 40 EEEB CC[C@H](C#N)S(=O)(=O)N1CCc2cc(Br)ccc21 89941825 SMXUDKXNAODWRD-LLVKDONJSA-N 329.219 2.444 30 40 EEEB CCOP(=O)(CCOCCOCCOCCS)OCC 575180644 KAUGTHLCKCMXDS-UHFFFAOYSA-N 330.383 2.232 30 40 EEEB Cc1ccc(C)c(OC[C@H](O)Cn2nc(C)c(C)c(C#N)c2=O)c1C 28915743 UCQLAHCJOARZLI-MRXNPFEDSA-N 341.411 2.097 30 40 EEEB N#Cc1c2[nH]c3ccccc3nc-2[n+]2ccn(-c3ccccc3)c2c1=O 5927555 KRDJZENXLYJURB-UHFFFAOYSA-O 338.350 2.429 30 40 EEEB N#Cc1ccc(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 40069728 SWUZGXPLLHCRDU-UHFFFAOYSA-N 332.363 2.357 30 40 EEEB Cc1ccc(-c2nnn(C[C@H](O)COc3ccc(CC#N)cc3)n2)cc1 40493455 UPSLWYNUFZLZSE-KRWDZBQOSA-N 349.394 2.155 30 40 EEEB O=C(CCc1nc(-c2ccncc2)no1)NCC#Cc1ccccc1 22416924 NGAIVRKRBDGLSH-UHFFFAOYSA-N 332.363 2.232 30 40 EEEB CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CCOCCO 1795640 HEXGHSSWNVYNTI-UHFFFAOYSA-N 339.391 2.494 30 40 EEEB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)NC1(C#N)CCCCC1 6609995 HBMRRRLDWGAXHF-GFCCVEGCSA-N 344.367 2.303 30 40 EEEB C#CCOc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 112264487 JZQVAUKGOXZMMA-CYRIFROVSA-N 334.375 2.230 30 40 EEEB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1cc(C#N)n(C)c1C 72298352 NLRVGTIFVVTOOU-HNAYVOBHSA-N 341.459 2.423 30 40 EEEB C#CCCN1CCN(C(=O)c2ccccc2OCc2cccnc2)CC1 95399721 PATDKMVIWVKJGA-UHFFFAOYSA-N 349.434 2.442 30 40 EEEB C=CCN(C(=O)[C@H](C)OC(C)=O)c1nc(C)c(C(=O)OCC)s1 36612012 JAYNOLPBESODLB-JTQLQIEISA-N 340.401 2.099 30 40 EEEB CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccc(Cl)cc1Cl 12412935 CBLIOOCEPVHBDM-SXGWCWSVSA-N 330.200 2.223 30 40 EEEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc([N+](=O)[O-])cc1 14607493 AIXHLSYXEHXIBR-VFZGTOFNSA-N 325.328 2.454 30 40 EEEB CC(C)(C)n1nnnc1CN1CCC(Nc2ccccc2C#N)CC1 585116009 DENGHLBFORTMMV-UHFFFAOYSA-N 339.447 2.376 30 40 EEEB C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 12421455 KJIFNSITQOVFSQ-QFBILLFUSA-N 334.435 2.127 30 40 EEEB N#Cc1ccc(CN2CCC(C(=O)N3CCSCC3)CC2)c(F)c1 2298199108 VRVOUIZKARENBF-UHFFFAOYSA-N 347.459 2.485 30 40 EEEB N#Cc1c(F)cccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 32923522 JYMHQLVLDYYNIY-UHFFFAOYSA-N 327.319 2.327 30 40 EEEB Cc1ncc(CN(C)Cc2nc3ccccc3c(=O)n2CC#N)s1 53145693 FJBASUHVRODXOI-UHFFFAOYSA-N 339.424 2.317 30 40 EEEB C=C(C)CN(CC)C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1 53475327 JTIVKDTXUKDWKJ-INIZCTEOSA-N 329.444 2.427 30 40 EEEB N#Cc1ccc(F)c(CN2CCC[C@H]2C(=O)NCC(F)(F)F)c1 54991762 SCVWIAIGKCKKKR-ZDUSSCGKSA-N 329.297 2.340 30 40 EEEB N#Cc1ccsc1NC(=O)Cc1csc(N2CCCC2=O)n1 26768750 VWLRRTKZDNRIEG-UHFFFAOYSA-N 332.410 2.384 30 40 EEEB N#Cc1ccc(OCCN2C(=O)C(=O)N(C3CCCCC3)C2=O)cc1 27275130 ULMOTTXNIVKJHR-UHFFFAOYSA-N 341.367 2.061 30 40 EEEB CC(C)c1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n[nH]1 44817924 NYUAVPUEPPWKDV-UHFFFAOYSA-N 337.427 2.363 30 40 EEEB CCN(C(=O)CSc1ncc(C#N)c(N)n1)c1ccccc1C 10349854 JAJPMVXIOATUHS-UHFFFAOYSA-N 327.413 2.384 30 40 EEEB CN(C1CCCCC1)S(=O)(=O)N(CCC#N)Cc1cccnc1 48301487 RORSDMSUAUAHGZ-UHFFFAOYSA-N 336.461 2.307 30 40 EEEB N#CCc1ccc(OCCNC(=O)[C@@H]2Cc3cccc(F)c3O2)cc1 96425176 JHADYXFAUBHRPT-KRWDZBQOSA-N 340.354 2.390 30 40 EEEB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1cccc(C#N)c1 96439206 UQBOLRVRCSEAKI-LBPRGKRZSA-N 325.416 2.339 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 84475258 DPFWMRCVNMZJNM-DNVCBOLYSA-N 346.450 2.391 30 40 EEEB COc1ccc(CN(CCO)C(=O)c2cccc(C#N)c2)c(OC)c1 78930534 VUWHZQMEBYZVJT-UHFFFAOYSA-N 340.379 2.210 30 40 EEEB CCOC(=O)c1cn(CCNc2nc(C#N)c(Cl)s2)cn1 521398383 CHSQLTRXCVVHCB-UHFFFAOYSA-N 325.781 2.153 30 40 EEEB N#Cc1cccc(CNC[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 78553728 SBNIANUUZYXZTB-FQEVSTJZSA-N 349.434 2.290 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 84972548 DVVPMTNVLZSHNO-CABCVRRESA-N 332.473 2.255 30 40 EEEB CC1(C)[C@H](C#N)[C@@]1(C#N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 585135619 STFFUXIUFUPBMJ-KSSFIOAISA-N 338.367 2.267 30 40 EEEB C[C@H](CC#N)NS(=O)(=O)c1cnc(N2CCC[C@H]2C)c(Cl)c1 1615046049 UHMPELKUCWDGNI-GHMZBOCLSA-N 342.852 2.304 30 40 EEEB COC(=O)[C@H](CCOc1cccc(C#N)c1)NC(=O)OC(C)(C)C 1615610958 RTHCVJAMJDDDGE-AWEZNQCLSA-N 334.372 2.393 30 40 EEEB C#CCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(C)cc2C)CC1 32825560 RCZJQXWHWOVBEF-MRXNPFEDSA-N 326.440 2.336 30 40 EEEB Cc1ncsc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 52676976 JRHFNXDGTMDRGR-UHFFFAOYSA-N 343.412 2.151 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccccc1F 102798794 BZBJEPNZBGTPJF-DPEHCCBOSA-N 345.326 2.487 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 104055705 XHGRMCOCANZHEW-OCCSQVGLSA-N 334.335 2.068 30 40 EEEB N#C[C@@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 104394468 XWDJWHWVFZBUOW-SJLPKXTDSA-N 349.390 2.083 30 40 EEEB N#Cc1ccc(CN2CCN(C(=O)COC3CCCC3)CC2)cc1 44315009 SBJRUHFYQRVTAG-UHFFFAOYSA-N 327.428 2.162 30 40 EEEB C[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3343251 FCHDATKDMWJJJB-CYBMUJFWSA-N 336.413 2.320 30 40 EEEB COc1cc(C/C(O)=N/S(=O)(=O)c2c(C)noc2C)ccc1C 48491067 LPIXESNLNWGDMP-UHFFFAOYSA-N 338.385 2.496 30 40 EEEB C=C(Br)CNC(=O)Nc1cccc(NC(=O)COC)c1 49300366 QKEKIQXFLXYOPU-UHFFFAOYSA-N 342.193 2.302 30 40 EEEB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)COc1ccccc1C#N 7004275 CQNJJFGUVGHYNW-ZIAGYGMSSA-N 330.384 2.270 30 40 EEEB COC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)C1 71803814 SYNDLOJACONBRD-VXGBXAGGSA-N 327.340 2.482 30 40 EEEB Cc1ccc(NC(=O)[C@H](C)O/N=C(/N)[C@@H](C)n2ccnc2)c(F)c1 72286205 VKWOFHQPAPZIJP-NEPJUHHUSA-N 333.367 2.208 30 40 EEEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C 72300202 YKZDOOUARLVNKJ-INIZCTEOSA-N 344.440 2.225 30 40 EEEB N#Cc1ccccc1NC(=O)CN1CCC(N2CCCCC2)CC1 26439267 AXWVBCDBEXDHIK-UHFFFAOYSA-N 326.444 2.447 30 40 EEEB COc1ccc(C2CC(=O)C(=C3NCCS3)C(=O)C2)cc1OC 20800940 BTRHLISPSWRECF-UHFFFAOYSA-N 333.409 2.267 30 40 EEEB N#Cc1cccc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)c1 96067666 SDGXBSAKPZGTQF-SFHVURJKSA-N 347.418 2.417 30 40 EEEB Cc1nc(N2CCC[C@@H](CN3CC[C@@H](O)C3)C2)c(Cl)cc1C#N 585132800 WOXOUUVBUUMOPG-DZGCQCFKSA-N 334.851 2.198 30 40 EEEB Cc1ccc(CNC(=O)C2CCN(c3nc(C)cc(C#N)n3)CC2)cc1 587990309 YMVPOGSBLVZTBF-UHFFFAOYSA-N 349.438 2.498 30 40 EEEB C[C@@H](CS(C)(=O)=O)NC1CCC(Oc2ccccc2C#N)CC1 97033408 GGDFPDNJSDPEJZ-JEYLPNPQSA-N 336.457 2.271 30 40 EEEB N#CCCCCN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 79035338 YBVILTMUGBYOMH-GOSISDBHSA-N 326.444 2.103 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cn1N 4251830 QRPBZHBMUFBXKC-QGZVFWFLSA-N 343.456 2.410 30 40 EEEB COc1nccnc1N(C)CC1CCN(c2ccc(C#N)cn2)CC1 1888846836 ZBMPCVORFBAVIT-UHFFFAOYSA-N 338.415 2.105 30 40 EEEB COc1ccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@H]2[N+](=O)[O-])cc1 100253262 GSGRGWRZNNSBJZ-KGLIPLIRSA-N 330.344 2.202 30 40 EEEB Cc1ccc(OCc2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1 553058 GUNQYWXSSXLLFM-UHFFFAOYSA-N 340.383 2.135 30 40 EEEB O=C1CCCC2=C1[C@@H](c1ncc[nH]1)c1c([nH]n(-c3ccccc3)c1=O)N2 12348421 RHWCERSDQPBOTD-OAHLLOKOSA-N 347.378 2.453 30 40 EEEB N#Cc1nc(NC(=O)COc2cc(Cl)cc(Cl)c2)[nH]c1C#N 76082709 MIFSFMQVAAHCKH-UHFFFAOYSA-N 336.138 2.477 30 40 EEEB CC(C)(CNc1ccc(C#N)cc1C(F)(F)F)NS(C)(=O)=O 77965892 LMIBKDCXYHAGAC-UHFFFAOYSA-N 335.351 2.317 30 40 EEEB COc1ccccc1NC(=O)C(=NO)C(=O)Nc1ccccc1OC 1410193 SCPCFEMSHHPGGA-UHFFFAOYSA-N 343.339 2.111 30 40 EEEB O=C1C=C/C(=N/S(=O)(=O)c2ccccc2)C=C1Br 101181358 VDYNYVPMYSHCMG-ZROIWOOFSA-N 326.171 2.234 30 40 EEEB O=S1(=O)N=C(N/N=C/C2=Cc3ccccc3OC2)c2ccccc21 45871521 GWKPTFWAOLGZFB-VCHYOVAHSA-N 339.376 2.187 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1C1OCCO1 69484422 SFLMSGUAAZNRSG-HIFRSBDPSA-N 330.384 2.080 30 40 EEEB C#CCOc1ccc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OC 408917597 YDNQGGKWLSQAFF-RVDMUPIBSA-N 327.361 2.377 30 40 EEEB CCOC(=O)C1=C(N)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 5248499 FWKXYLKTLDUTRM-CQSZACIVSA-N 341.411 2.145 30 40 EEEB C=CCNc1nc(C(=O)OCc2cc(=O)n3ccccc3n2)cs1 18357933 WMVYERWHTYCGKH-UHFFFAOYSA-N 342.380 2.106 30 40 EEEB CCOC(=O)c1c(C)oc2ncn(Cc3ccc(C#N)cc3)c(=O)c12 7552613 AYICCQXBQNIKRR-UHFFFAOYSA-N 337.335 2.395 30 40 EEEB CC[C@@]1(C)NC(=O)N(/N=C/c2c(F)c(F)c(F)c(F)c2F)C1=O 7989727 UPXSHDAVUBOSEW-MVUROVFJSA-N 335.232 2.437 30 40 EEEB C#CCOc1ccccc1CN(C)[C@H]1CCN(CC(F)(F)F)C1=O 71897105 BPPJTBUQBFFYSZ-AWEZNQCLSA-N 340.345 2.294 30 40 EEEB COc1ccc([C@H](CN2CCOCC2)Nc2ccc(C#N)cn2)cc1 71841042 TXXTXWWRNBBAQC-SFHVURJKSA-N 338.411 2.447 30 40 EEEB C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)Oc1ccccc1 71905328 NCPVFTIEOMQWCQ-AWEZNQCLSA-N 330.409 2.445 30 40 EEEB C#CCN1CCC(C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1 72291567 MGOTXPLWDSOMOU-INIZCTEOSA-N 341.455 2.195 30 40 EEEB CCN1CCN(Cc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2)CC1 72312159 MQRSFWHSRHYZNE-UHFFFAOYSA-N 337.427 2.276 30 40 EEEB Cc1ccn2c(NS(=O)(=O)c3ccc(C#N)cc3Cl)nnc2c1 95941019 RTDQTLWESBWENW-UHFFFAOYSA-N 347.787 2.364 30 40 EEEB CC(C)Cn1cnc(S(=O)(=O)/N=C(\O)Cc2cccs2)c1 96501368 YCIPFHYCEWKZHR-UHFFFAOYSA-N 327.431 2.489 30 40 EEEB CC(C)Nc1nc2c(c(N(C)C)n1)CN(c1ccc(C#N)cn1)CC2 96254056 GXCMJOQGSMBNOE-UHFFFAOYSA-N 337.431 2.192 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1888867065 JQXLGPQQNJYYKZ-GJZGRUSLSA-N 342.424 2.312 30 40 EEEB CO/C(O)=N/S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 306366 SSTCHWCJKLFQTA-JQIJEIRASA-N 326.378 2.420 30 40 EEEB COc1cc(/C=N/Nc2ccccc2C(=O)O)cc([N+](=O)[O-])c1O 11903700 KIQAMSFVCWTVTA-LZYBPNLTSA-N 331.284 2.453 30 40 EEEB C#Cc1cccc(NC(=O)N2CCC(C(=O)NCCCOC)CC2)c1 56587259 OJYKBUWBDZUCOU-UHFFFAOYSA-N 343.427 2.065 30 40 EEEB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58179961 FVFFNKNVUJYAKC-NSHDSACASA-N 328.821 2.259 30 40 EEEB C=CCNc1nc(C(=O)OCc2cc(=O)n3ccsc3n2)cs1 3567245 QUSVTTPPVAPWJM-UHFFFAOYSA-N 348.409 2.167 30 40 EEEB Oc1ccc(Br)cc1/C=N/Nc1ncnc2[nH]cnc12 4106466 JBHCSUZQNIVOCG-JJPRUIFNSA-N 333.149 2.267 30 40 EEEB C[S@@](=O)c1ccc(CNC(=O)NCC#Cc2ccccc2)cc1 80063998 BREPGVWVTJLBLB-QHCPKHFHSA-N 326.421 2.275 30 40 EEEB C#CCOc1ccc(CCNC(=O)c2[nH]ncc2Br)cc1 78927723 SIIBGVLXIGYRTH-UHFFFAOYSA-N 348.200 2.157 30 40 EEEB C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)n1cccn1 71882082 BTEXGCXFFBZURQ-NWDGAFQWSA-N 343.456 2.483 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 84475260 DPFWMRCVNMZJNM-HNAYVOBHSA-N 346.450 2.391 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)Oc2ccccc2C(=O)O)cc1 33690058 VFPCGRUSPPGTFM-UHFFFAOYSA-N 335.337 2.375 30 40 EEEB CCNC(=S)N/N=C/c1cn(CC(=O)OCC)c2ccccc12 33758817 CPMUFODCBVZKAU-GIJQJNRQSA-N 332.429 2.022 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78078618 YECYZWSGISCGGA-FQEVSTJZSA-N 349.434 2.418 30 40 EEEB COc1cccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c1OC 100237131 HGNLXMZZPNMQLU-AMHYXFAZSA-N 340.379 2.235 30 40 EEEB C/N=C(/NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)NC1CC1 103337857 QJOCHVKOUVMVJC-HUUCEWRRSA-N 330.476 2.123 30 40 EEEB COc1cccc(/C(O)=N/S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 46927118 ACKKELLYUYYDKP-UHFFFAOYSA-N 348.380 2.347 30 40 EEEB COc1cc2c(C#N)c(N3CCc4ccccc4C3)nc(N)c2c(N)n1 25435873 WBDIOHPYBSSOBO-UHFFFAOYSA-N 346.394 2.237 30 40 EEEB N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(F)c2F)c(F)c1 69620099 KFIRMMBYXDWNIN-UHFFFAOYSA-N 333.269 2.230 30 40 EEEB COc1ccc(/C=N/[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 17823258 UGPNXGYAEZANPN-QUXGOIKBSA-N 330.340 2.117 30 40 EEEB C[C@@H](C#N)CN(C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 71824922 NJEIQNLLTAXBHL-AWEZNQCLSA-N 334.851 2.080 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N\[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408527094 KPOWHHFMHSNGMV-ZMNQDTATSA-N 339.395 2.453 30 40 EEEB CCO[C@H]1C[C@@H](O)C12CCN(c1nnc(CC)c(CC)c1C#N)CC2 95412078 PDAHWPAYOJDRQO-SJORKVTESA-N 344.459 2.229 30 40 EEEB Cc1cccc(S(=O)(=O)N2CCC(n3cccn3)CC2)c1C#N 95432852 JTSXTPVDHLBEEW-UHFFFAOYSA-N 330.413 2.089 30 40 EEEB C/N=C1/S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C(=O)N1C 408928883 FQQPVXYIOJNOIN-XEIHTPIFSA-N 337.357 2.144 30 40 EEEB Cc1nc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cs1 66240865 ZKANTYIYRUQJAM-UHFFFAOYSA-N 338.396 2.021 30 40 EEEB N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@@H]1c1cccnc1 14163302 CZFZGYPEGBEBIU-ZIAGYGMSSA-N 331.335 2.197 30 40 EEEB CC(C)N1CCO[C@H]2CN(C(=O)Cc3ccc(C#N)cc3)CC[C@@H]2C1 1565547053 MQZHKLQJFLYKKA-MOPGFXCFSA-N 341.455 2.058 30 40 EEEB C=CCN1CCOCC2(CCN(C(=O)c3csc(C)n3)CC2)C1 1565548711 ISWBLLVNJGUINZ-UHFFFAOYSA-N 335.473 2.192 30 40 EEEB N#Cc1ccc(N2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 52800036 XDSSAVUUWWLNGW-LJQANCHMSA-N 334.423 2.297 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2ccc(C)cc2C)c(=O)c1C#N 583004 IRWMVBGIBFRCOZ-UHFFFAOYSA-N 339.395 2.430 30 40 EEEB N#Cc1c(CCCNC(=O)N[C@@H](c2ccccc2)C2CC2)n[nH]c1N 65591540 QHYXHMMUUKHGSF-INIZCTEOSA-N 338.415 2.247 30 40 EEEB CN1CCC(N2CC[C@H](N(C)c3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 69739054 CWRNDGCEGDOQHF-INIZCTEOSA-N 343.431 2.071 30 40 EEEB CC(C)c1cc(C(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)nn1C 95405841 XGECOVJUUHLUSS-UHFFFAOYSA-N 349.398 2.435 30 40 EEEB C[C@H](NC(=O)COc1ccccc1C#N)c1ccc(-n2ccnn2)cc1 89904956 DCJAAVMBLULREA-AWEZNQCLSA-N 347.378 2.395 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc2c(c1)OC(F)(F)O2 39992477 ZKGHNWLNEZEPFK-AWEZNQCLSA-N 325.315 2.474 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)C#N)cc1 218505168 GSILCGDVBPSOLJ-ZACQAIPSSA-N 330.384 2.295 30 40 EEEB C[C@@H]1C(=O)NCCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 96414406 GTQDWFUROKISDN-CYBMUJFWSA-N 334.379 2.262 30 40 EEEB Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)COC[C@@H]1CCCO1 585124598 IWWYNLVTKFCBTK-HNNXBMFYSA-N 340.383 2.187 30 40 EEEB C=CCN(C(=O)c1cccc2cccnc12)[C@@H]1CCS(=O)(=O)C1 69892434 LFNCFYZQDDBHEL-CQSZACIVSA-N 330.409 2.050 30 40 EEEB C=CCCC(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1 96104165 HUSLAEXGYOEXAZ-UHFFFAOYSA-N 337.441 2.426 30 40 EEEB Cc1occc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 21198131 XUYUHTMLJFXLMW-UHFFFAOYSA-N 347.396 2.311 30 40 EEEB C=CC/N=C(\NC[C@H]1CCN(CCOC)C1)N[C@@H](C)c1ccccc1 75583135 IGCZZKBJBISPNJ-ZWKOTPCHSA-N 344.503 2.437 30 40 EEEB C=C(C)CN(CC)C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 53475329 JTIVKDTXUKDWKJ-MRXNPFEDSA-N 329.444 2.427 30 40 EEEB Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)Cc1cccc(C#N)c1 76050183 LYPWHDBRUUKFEB-KRWDZBQOSA-N 344.440 2.058 30 40 EEEB COC(=O)c1cc(Cl)ccc1NCC(=O)NC1(C#N)CCCC1 55865456 WMLXAORBICOVGM-UHFFFAOYSA-N 335.791 2.491 30 40 EEEB CN(CCC#N)S(=O)(=O)NCC1(c2ccc(F)cc2)CCCC1 56070485 TYDACXZRYVXBAM-UHFFFAOYSA-N 339.436 2.317 30 40 EEEB Cc1ncc(C/N=C(/N)N2CCN(c3ccccc3F)CC2)s1 69808944 PTUCCFCWLNDTFJ-UHFFFAOYSA-N 333.436 2.228 30 40 EEEB Cn1c2ccccc2c2nnc(N/N=C/c3ccc(O)cc3O)nc21 4116896 FHEBAASCAOJDSP-GIJQJNRQSA-N 334.339 2.374 30 40 EEEB C#CCNC(=O)CC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 97235736 WFLGTLHCMATYNV-HXUWFJFHSA-N 346.430 2.495 30 40 EEEB Cc1noc([C@H]2CCCCN2S(=O)(=O)c2cccc(C#N)c2)n1 41123266 KMBHWHMYZZZGIY-CQSZACIVSA-N 332.385 2.166 30 40 EEEB C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)C=CC(=O)C(C)(C)[C@H]1C[C@H]3O 95912822 CNTXARLHZHVLRV-MJTHGBBVSA-N 330.424 2.051 30 40 EEEB biogenic,in-vitro COc1cccc(C#CCOC(=O)c2cc3c([nH]c2=O)CCCC3)c1 96452525 SNVUSNXIUAKLKM-UHFFFAOYSA-N 337.375 2.471 30 40 EEEB Cc1nnc(NC[C@H]2CCc3nnc(C(C)C)n3C2)c(C#N)c1C 69923028 FBCBHDSRNURXEC-CYBMUJFWSA-N 325.420 2.355 30 40 EEEB N#CCCCS(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 95988836 NQDNZMQNNPBBQE-CYBMUJFWSA-N 327.837 2.142 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)NC2CCCCCC2)C1 225804043 UIXSZSBYZKEXKA-AWEZNQCLSA-N 329.404 2.234 30 40 EEEB C=CCNC(=O)N1CCC(COc2ccc3nc(C)c(C)n3n2)CC1 1888860341 BYCIKCBYSXYKOX-UHFFFAOYSA-N 343.431 2.333 30 40 EEEB C=CCNC(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C 12622421 PGKLDOCNBLUKRZ-UHFFFAOYSA-N 348.380 2.361 30 40 EEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O 36848409 WNFNIUHJXXPTHH-IBGZPJMESA-N 333.347 2.208 30 40 EEEB CCSCC/C(O)=N/S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 48567056 LFGRSMSKIFHROY-UHFFFAOYSA-N 348.402 2.392 30 40 EEEB CCOc1ccc(C(=O)NCC(=O)OCc2ccccc2C#N)cc1 5223379 JXWCKORQSVPLAT-UHFFFAOYSA-N 338.363 2.430 30 40 EEEB CC(C)n1nc2c(cc1=O)CN(CCOc1ccccc1C#N)CC2 78931614 JVCJFFTXABBSTL-UHFFFAOYSA-N 338.411 2.133 30 40 EEEB CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1ccc(Cl)cc1 96413247 IJZVCRZRUKYUPW-LBPRGKRZSA-N 329.853 2.498 30 40 EEEB C=CCOc1ccccc1C(=O)N[C@@H](C)c1nc(C(=O)OCC)n[nH]1 585130825 CXCXPVJTTRKMNN-NSHDSACASA-N 344.371 2.037 30 40 EEEB C#CCN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 51650521 ZFUFHMNUZHDBRF-UHFFFAOYSA-N 341.415 2.352 30 40 EEEB CN(C[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N 71900395 AMDYYBYQPBNGCX-QGZVFWFLSA-N 341.367 2.480 30 40 EEEB C=CCNc1nc(Nc2ccccc2F)nc(N2CCOCC2)n1 5027561 KNGJOVKJCVEJDL-UHFFFAOYSA-N 330.367 2.189 30 40 EEEB CCOc1c/c(=N\N=C(/C)c2ccc(Cl)cc2)n(C)c(=O)n1C 17120394 YLCIXWQIBQXSPM-MMOYSQFZSA-N 334.807 2.101 30 40 EEEB CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](C)C(=O)N2CC)cc1 4538081 XXMRLQCZGWQGPZ-SJHSGFPMSA-N 326.443 2.278 30 40 EEEB CC/N=C(/NCC)S[C@H]1CC(=O)N(c2ccccc2OC)C1=O 4188060 XTCXIJHFRYPPQR-ZDUSSCGKSA-N 335.429 2.046 30 40 EEEB N#Cc1cn(C2CC2)c(=O)n(CCOc2ccc3ccccc3c2)c1=O 40086708 KHXSNKPHPHPEPP-UHFFFAOYSA-N 347.374 2.449 30 40 EEEB C[C@H](NC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccc(C#N)c1 81500959 FMJSKXSIAVPHOC-HZMBPMFUSA-N 327.306 2.328 30 40 EEEB N#Cc1ccccc1N1CCCN([C@H](C(N)=O)c2ccccc2)CC1 52801287 AJCXPSHQFPKQAH-IBGZPJMESA-N 334.423 2.297 30 40 EEEB COCCN1C(N)=C(c2nc3ccccc3[nH]2)C(=O)[C@@H]1c1ccccc1 102901397 LQUCUKUKCKBQSG-KRWDZBQOSA-N 348.406 2.463 30 40 EEEB CN(C)Cc1ccc(N2CCN(c3cccc(F)c3C#N)CC2)nc1 105794078 ULLHMOAARXSPEN-UHFFFAOYSA-N 339.418 2.481 30 40 EEEB C=C(Br)CNC(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC 69813830 XVNSKKLKAPGZSO-JQWIXIFHSA-N 346.269 2.231 30 40 EEEB CC(C)c1noc([C@H](C)N2CCN(c3ccc(C#N)cn3)CC2)n1 65611363 STPRWKJXHOBNMG-ZDUSSCGKSA-N 326.404 2.343 30 40 EEEB CN(CC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc(C#N)cn1 67279335 WHTRGJNDCRAGNZ-QGZVFWFLSA-N 335.411 2.102 30 40 EEEB Cc1cnn([C@H](C)[C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1 69742548 FIYYNKDNSREJMZ-INMHGKMJSA-N 328.416 2.042 30 40 EEEB C=CC[C@H](C)[C@@H](C)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 90035650 BHNWZEXUGSDARL-LSDHHAIUSA-N 344.521 2.150 30 40 EEEB C#CCOc1ccc(C(=O)N[C@H]2CCC[C@@H](C(=O)NC3CC3)C2)cc1 83812711 BZQSJWSXBOJHQM-WBVHZDCISA-N 340.423 2.266 30 40 EEEB CC1=CC(=O)/C(=C\Nc2ccc(Cl)c(Cn3cncn3)c2)C(=O)O1 1547201044 RLVMXZFMVGUFTC-AWNIVKPZSA-N 344.758 2.305 30 40 EEEB C/N=C(/NCC1(C(=O)N(C)C)CCCC1)N[C@@H](C)c1ccc(C)o1 88880398 PBOCOPCAELXREP-AWEZNQCLSA-N 334.464 2.463 30 40 EEEB COCCN(Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(C)C)C1=O 192558570 HOXZSLOCJFZHOZ-GOSISDBHSA-N 329.444 2.406 30 40 EEEB C[C@H]1CN(C(=O)c2cc(F)c(F)c(F)c2F)C[C@H](C)N1CC#N 585126639 DYRQDBANFVLUMY-IUCAKERBSA-N 329.297 2.301 30 40 EEEB CS(=O)(=O)/N=C(\O)c1cc(-c2ccco2)nn1-c1ccccc1 48480436 UTKMXGVOLAQFHQ-UHFFFAOYSA-N 331.353 2.397 30 40 EEEB C=CC/N=C(\NCc1ccccn1)NC[C@@H](O)c1ccc(F)c(F)c1 75583207 MDGMJIXJDWMQMH-QGZVFWFLSA-N 346.381 2.315 30 40 EEEB O=C(/C=C/c1csnn1)c1ccc(S(=O)(=O)CC(F)F)cc1 78876758 ICCWZMDLFYKVMN-ZZXKWVIFSA-N 344.364 2.473 30 40 EEEB N#Cc1ccccc1OC[C@@H](O)CNC[C@@H](CCO)c1ccccc1 600741268 DEGQZCJNIJARHU-MOPGFXCFSA-N 340.423 2.054 30 40 EEEB O=C1N/C(=N\c2ccccn2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 5757322 XPDGEVVGQUOSHM-LBPRGKRZSA-N 328.353 2.452 30 40 EEEB CN(C[C@H]1Cc2ccccc2CO1)S(=O)(=O)c1ccc(C#N)cc1 225791113 NJQBVAGNNYUJEC-QGZVFWFLSA-N 342.420 2.320 30 40 EEEB C=CC/N=C(/NCCc1cn2c(n1)CCCC2)NCc1ccccn1 75583219 MPUPKYWXQJCBBZ-UHFFFAOYSA-N 338.459 2.078 30 40 EEEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1O 12347267 HJAMWWBDUCNNFF-CYBMUJFWSA-N 327.340 2.394 30 40 EEEB Cc1cccc(S(=O)(=O)/N=C(\O)c2c[nH]c(=O)c(Cl)c2)c1 54426156 OTNTYYJERWYANN-UHFFFAOYSA-N 326.761 2.030 30 40 EEEB N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccccn2)ccc1F 69776347 CUCLBECDNBQSIK-MRXNPFEDSA-N 338.342 2.395 30 40 EEEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccccc1 408529022 ZLRSWOTZMJFVLH-VIRABCJISA-N 325.368 2.272 30 40 EEEB C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN1C(=O)OC 66353305 FZAVQOWOAJPZQF-HNNXBMFYSA-N 347.371 2.340 30 40 EEEB N#Cc1c(NC(=O)[C@H]2CCS(=O)(=O)C2)sc2c1CCCCC2 71794693 HVEWCJMUOYSOMX-JTQLQIEISA-N 338.454 2.262 30 40 EEEB Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(C#N)cn1 96413892 LVVDAYZAHFQCCR-UHFFFAOYSA-N 336.395 2.346 30 40 EEEB Cc1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)no1 72304339 VZRYVVNXGBWOJT-UHFFFAOYSA-N 326.356 2.068 30 40 EEEB N#Cc1cccnc1N1CCCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 95987210 XSMAKLFDJFNHDI-MOPGFXCFSA-N 334.423 2.124 30 40 EEEB COCCOc1ccccc1/C(O)=N/S(=O)(=O)CC(C)(C)C 79037085 QNVKVDCVYWBLRN-UHFFFAOYSA-N 329.418 2.392 30 40 EEEB CN1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 299230 JZXLDHQIXRDTHP-QGMBQPNBSA-N 344.396 2.494 30 40 EEEB CC1(C)OB(c2cnn(CC(F)(F)C(F)(F)F)c2)OC1(C)C 616569657 XZSAHIINSXEZHL-UHFFFAOYSA-N 326.074 2.380 30 40 EEEB Cc1cnc(OC[C@@]23CCC[C@H]2CN(c2nccnc2C#N)C3)nc1 1888863543 NRUKHAFMVCXGDQ-KSSFIOAISA-N 336.399 2.132 30 40 EEEB N#Cc1cccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 14182805 IBMVCGWQUXITEI-UHFFFAOYSA-N 347.465 2.126 30 40 EEEB C#CCNC(=O)c1cc(Cl)c(I)cc1OC 40073730 HDBAYVWPBWZCQM-UHFFFAOYSA-N 349.555 2.316 30 40 EEEB Cc1ccc(NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)c(C)c1 32776359 KGUIGFUWYYNCEI-UHFFFAOYSA-N 328.397 2.298 30 40 EEEB N#Cc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 23674169 OHBAORJUGXLJBP-UHFFFAOYSA-N 335.407 2.281 30 40 EEEB C=CCN1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2 57531442 OFHPCLQDWOUHGB-CYBMUJFWSA-N 337.301 2.342 30 40 EEEB C#CCOc1ccc(C(=O)NC[C@H](O)c2ccc(F)c(F)c2)cc1 76082730 VXCDLCCRDAYXMR-KRWDZBQOSA-N 331.318 2.440 30 40 EEEB CC(C)(C)n1cc(C#N)cc1NC(=O)CCNC(=O)c1ccco1 77379989 FGBZYBIITBSJFS-UHFFFAOYSA-N 328.372 2.466 30 40 EEEB Cc1nc(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)cs1 58264181 LOJSMSPQNMOZLD-UHFFFAOYSA-N 341.845 2.498 30 40 EEEB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 58380449 VXUXLNIIKDPYBX-IFVXTVMESA-N 335.429 2.094 30 40 EEEB CCCOC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238256 DFTYWXXEKKTGBN-UHFFFAOYSA-N 329.381 2.354 30 40 EEEB C=CCNC(=O)[C@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1 65410678 PJXFVPVNCQHHLG-MRXNPFEDSA-N 348.410 2.087 30 40 EEEB Cc1sc2nc(CN3CCCC3)nc(-n3cnc(C#N)n3)c2c1C 14272210 WWFYAKHLFASTQC-UHFFFAOYSA-N 339.428 2.356 30 40 EEEB N#Cc1ccc(S(=O)(=O)NCc2cccc(CO)c2)cc1Cl 89774558 ZHHDPFHOKQPKCF-UHFFFAOYSA-N 336.800 2.182 30 40 EEEB C[C@H]1CN([C@H](C/N=C(/N)N(C)C)c2c(F)cccc2Cl)CCO1 225546570 WWVIKNYFFNTSTI-SMDDNHRTSA-N 342.846 2.117 30 40 EEEB Cc1oc(C#N)cc1C(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 583619205 SLAOHUVJRGGUSQ-ROUUACIJSA-N 339.395 2.261 30 40 EEEB CCc1nn(Cc2ncc(C)c(OC)c2C)c(=O)c(C#N)c1CC 96411924 GWRDWFCFPYVEMC-UHFFFAOYSA-N 326.400 2.309 30 40 EEEB CCc1noc([C@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 42652063 SAHDSECXIXUTIK-AWEZNQCLSA-N 325.416 2.382 30 40 EEEB N#Cc1cc2cccnc2nc1NC[C@H]1CCC2(CCOCC2)[C@H]1O 596227549 QPCZXXAYSXEDQX-ZBFHGGJFSA-N 338.411 2.481 30 40 EEEB C[C@H](CC1(C#N)CCOCC1)NCc1nncn1-c1ccccc1 598894759 BBRUSLWQASNWSH-OAHLLOKOSA-N 325.416 2.456 30 40 EEEB C/N=C(/NCCc1ncc(C)s1)N(C)Cc1ccc2c(c1)OCO2 89018944 NNOJWACNUGDQRV-UHFFFAOYSA-N 346.456 2.430 30 40 EEEB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccccc2)NC(=S)N1 12821489 QAXPJVWIAQRMEE-CYBMUJFWSA-N 342.376 2.108 30 40 EEEB CCc1ncnc(N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]3C2)c1F 1888853669 JVXMIQQCTLHHMI-KBPBESRZSA-N 338.390 2.017 30 40 EEEB Cc1csc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)n1 17123097 VTPVMFHSLKTBNP-UHFFFAOYSA-N 330.398 2.350 30 40 EEEB CCN1CCN(c2oc(COc3ccccc3OC)nc2C#N)CC1 108402 IOCBCLHHESZEMW-UHFFFAOYSA-N 342.399 2.276 30 40 EEEB CCN(CC)C(=O)[C@H](C#N)C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 103274147 PCIIWOWULVIQTO-OAHLLOKOSA-N 343.427 2.406 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccccc1[N+](=O)[O-] 12349059 YPKJLPPOSJUKGT-CQSZACIVSA-N 340.343 2.239 30 40 EEEB CCN1C(=O)[C@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 100975446 DTPYHMMLESKNMU-OUVQVPGASA-N 332.834 2.369 30 40 EEEB Cc1nnc(SCC(=O)N[C@@](C)(C#N)C2CC2)n1-c1ccccc1 3386108 SBIGZBPJTJQACE-KRWDZBQOSA-N 341.440 2.476 30 40 EEEB CCOc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cccc1OC 409407121 SMFJSRNBCBANDM-GVAFMPQTSA-N 340.379 2.235 30 40 EEEB COc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N 18240437 ONQBWENTOXHISF-UHFFFAOYSA-N 339.380 2.147 30 40 EEEB C#CCN1c2ccccc2C(=O)N2[C@@H]1c1ccccc1C(=O)N2CC#C 4708740 ABEXROUWUJSZKJ-LJQANCHMSA-N 341.370 2.285 30 40 EEEB Cc1cnn(C[C@@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)c1 69445540 FAQQGJZFJDGWAR-KRWDZBQOSA-N 335.411 2.217 30 40 EEEB CCOc1cccc(CN/C(=N/CCOC)NCc2ccccn2)c1 95405079 HSZUPKMWQOMTDZ-UHFFFAOYSA-N 342.443 2.362 30 40 EEEB N#Cc1cc(F)c(N2CCC[C@H]2C(=O)N2CCSCC2)c(F)c1 75048934 LDDLCDKGMSSHOX-AWEZNQCLSA-N 337.395 2.381 30 40 EEEB N#CCN1C(=O)C2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96241410 QVQNWKJVLBGISQ-UHFFFAOYSA-N 346.390 2.126 30 40 EEEB COc1ccc(N=C(NN)Nc2ccc(OC)c(OC)c2)cc1OC 521396049 NSOQQLFOQPBYPM-UHFFFAOYSA-N 346.387 2.284 30 40 EEEB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)C=C[C@]5(O)[C@H]3CC[C@]12C 253617108 GSTJTUIKTZSOQN-SMTUCEMLSA-N 346.423 2.162 30 40 EEEB N#Cc1cc(C(=O)N[C@H]2CCc3nccn3C2)ccc1N1CCCC1 75612830 UIBRDKYTWGEWAM-INIZCTEOSA-N 335.411 2.100 30 40 EEEB N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccncc2)CC1 58226308 IIFVIUHOKXAEEI-UHFFFAOYSA-N 325.347 2.446 30 40 EEEB COc1cc(CC(=O)NCC#Cc2ccccc2)cc(OC)c1OC 12730550 MEJDVRFLYLUJBS-UHFFFAOYSA-N 339.391 2.423 30 40 EEEB CC(C)c1noc(CN2CCN(Cc3ccc(C#N)cc3)CC2)n1 36803671 VCHGYWYNHAIYSX-UHFFFAOYSA-N 325.416 2.382 30 40 EEEB COC1=C[C@H]2[C@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)CC1=O 5223924 INYYVPJSBIVGPH-QUJCMNEKSA-N 329.396 2.018 30 40 EEEB biogenic,in-vitro N#Cc1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccc(F)cc3)o2)c1=O 8726642 SUYBHBVTRGEMBA-UHFFFAOYSA-N 340.270 2.471 30 40 EEEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 66397325 SBBVRWHSKRZTBH-BBRMVZONSA-N 348.468 2.490 30 40 EEEB C/N=C(/NC)NC1CCN(Cc2ccc(Br)cc2)CC1 97229936 VVGWKMNDSBOJHM-UHFFFAOYSA-N 339.281 2.208 30 40 EEEB N#C[C@@H](NC(=O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCOC1 79921476 CJEVRHGXEWHGFD-NOZJJQNGSA-N 329.183 2.417 30 40 EEEB COC(=O)[C@@H](O)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 89396142 VXXOVBLANIGNHG-AWEZNQCLSA-N 342.317 2.327 30 40 EEEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2)C1=O 408528264 VDBPKAFPRZOIHD-ZDUSSCGKSA-N 337.335 2.297 30 40 EEEB Cn1cc([C@@H]2C[C@@H]2/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)cn1 78556482 HSZYOFGGROEBRD-HOTGVXAUSA-N 345.424 2.358 30 40 EEEB Cc1noc(C(C)C)c1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 30939687 WTSPMOVOTFPGBO-UHFFFAOYSA-N 339.399 2.336 30 40 EEEB C=CCN1C(=O)CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc(OC)c1 96186264 HWDFCKQAWWEXPQ-IRXDYDNUSA-N 328.412 2.016 30 40 EEEB CN(C)c1cccc(/C(O)=N/S(=O)(=O)Cc2cccc(C#N)c2)c1 330031629 BJGPTGPFBYLLAS-UHFFFAOYSA-N 343.408 2.459 30 40 EEEB CNC(=O)NC(=O)CNc1cc(-c2ccc(C#N)s2)ccc1C 58159479 YDJQZUCIAJLCNM-UHFFFAOYSA-N 328.397 2.463 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1OC 4739817 AJOZUAJEQPCWCU-BZEWAWNOSA-N 340.379 2.235 30 40 EEEB C/C(=N/N=C1\N=C(O)[C@@H](CC(=O)O)S1)c1ccc([N+](=O)[O-])cc1 6562215 GAQIQUXIXFUGAG-CBQSTYFFSA-N 336.329 2.221 30 40 EEEB O=[N+]([O-])c1ccc(N2CCN([C@@H]3/C(=N/O)[C@H]4CC[C@H]3C4)CC2)cc1 100986930 ZCCKXNDQPASUOS-XEGNTZOFSA-N 330.388 2.346 30 40 EEEB COCc1ccc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 14186248 PEUBAUDNYVVBHW-FZKQIMNGSA-N 332.400 2.433 30 40 EEEB Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)N2CCOCC2)o1 24573467 GOXAORZWSLTANQ-QGZVFWFLSA-N 339.395 2.263 30 40 EEEB COc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1Cl 4935404 YDOXFTORRHWUCU-UHFFFAOYSA-N 349.803 2.323 30 40 EEEB CCN1CCN(c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)CC1 4974195 KPLGOMFFVPYIQK-UHFFFAOYSA-N 327.344 2.263 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC 68547079 DWCOMYNEDDBCPN-RYUDHWBXSA-N 332.404 2.382 30 40 EEEB CN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 96448413 ZJGHUXRTLFXBMS-BBWFWOEESA-N 348.468 2.077 30 40 EEEB Cn1nc(C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1=O 72495545 WZMSQOADAXTKOJ-UHFFFAOYSA-N 328.397 2.235 30 40 EEEB Cc1ccc(NCCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)nn1 75139339 RCHKAOWTUUCSMM-UHFFFAOYSA-N 341.419 2.447 30 40 EEEB COc1cc(OC)c(OC)cc1/C=N\Nc1ccc([N+](=O)[O-])cn1 408913224 UEWXZQUCYMYIBO-IUXPMGMMSA-N 332.316 2.462 30 40 EEEB Cc1cccc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)c1C#N 570186116 JDWLRROGHCDSOZ-LSDHHAIUSA-N 332.425 2.056 30 40 EEEB CCCCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 95897386 HHWFSLCLENXKAR-UHFFFAOYSA-N 347.463 2.384 30 40 EEEB COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1O 12390756 XELFOJPONNVDSM-AWEZNQCLSA-N 328.328 2.370 30 40 EEEB C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCC3 3471046 CBRPYZBOUJMIEV-UHFFFAOYSA-N 336.438 2.398 30 40 EEEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)[C@@H]1CC=CCC1 12975062 VBDYIMGFFGOECC-CYBMUJFWSA-N 347.440 2.452 30 40 EEEB Cc1onc(-c2ccccc2)c1-c1nnc(Cn2cnc(C#N)n2)o1 12980374 QVGUQGVDBXZYLJ-UHFFFAOYSA-N 333.311 2.212 30 40 EEEB COc1ccc(CN(C)S(=O)(=O)c2ccccc2C#N)c(OC)c1 7218585 MVRNZYIATKPWAU-UHFFFAOYSA-N 346.408 2.396 30 40 EEEB C#CCNC(=O)CC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 96004058 HWGYKNGSQLFZLT-UHFFFAOYSA-N 335.574 2.430 30 40 EEEB CN(CCC#N)C(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860138 HSKTWTACNQNEAP-UHFFFAOYSA-N 342.424 2.196 30 40 EEEB COc1ccc(CN2C[C@@H](C(=O)[C@H](C#N)c3ccccn3)CC2=O)cc1 71855186 RZCGJGSWAUVXJY-DOTOQJQBSA-N 349.390 2.315 30 40 EEEB C=CC/N=C(\NCCCc1ccccc1)NCc1nncn1CC 95959572 LXEFNCSGNJXBRH-UHFFFAOYSA-N 326.448 2.152 30 40 EEEB COc1ccc(C#N)cc1CN1CCCC[C@@H](N2CCN(C)CC2)C1 95995350 BTFMZSIMTCSWCA-LJQANCHMSA-N 342.487 2.169 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccsc1 56906502 HZAUUTSDMLOGIU-CYBMUJFWSA-N 349.799 2.061 30 40 EEEB CC(=O)N1C[C@H](Nc2ccc(C)c(C#N)n2)CC[C@H]1C(F)(F)F 583616727 JESJFUAZWIWYRQ-YPMHNXCESA-N 326.322 2.615 30 40 EEEB N#Cc1c(NC[C@@H](O)CN2CCc3ccccc3C2)nc2ccccn12 97238130 ZEIXWWBDYJLZHV-QGZVFWFLSA-N 347.422 2.037 30 40 EEEB Cc1cnc(OC[C@]23CCC[C@@H]2CN(c2nccc(C#N)n2)C3)nc1 1888863481 AXYGKIJTQDQKNL-RDTXWAMCSA-N 336.399 2.132 30 40 EEEB N/C(=N/OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccs1 50512668 WRMRWPLVEKCWNP-UHFFFAOYSA-N 333.457 2.470 30 40 EEEB O=C(NCc1ccco1)C1CCN(C(=O)C#Cc2ccccc2)CC1 81622022 GCUNHHOSCGFQCN-UHFFFAOYSA-N 336.391 2.186 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 102763971 CRSDJVYQDKHUAH-INIZCTEOSA-N 335.363 2.032 30 40 EEEB C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 58290811 JWHUSKDLPFSNOZ-CQSZACIVSA-N 348.468 2.247 30 40 EEEB N#CCCN(CCC#N)C(=O)CCc1nc(-c2cccs2)no1 58282911 WNGPVBYSEJAHBG-UHFFFAOYSA-N 329.385 2.387 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCc4ccccc43)CC2)c1 44910162 OCFWCGWMMOIBEA-SFHVURJKSA-N 347.422 2.472 30 40 EEEB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C 11371572 UAPWMAFWAXKUHY-BMIGLBTASA-N 338.433 2.093 30 40 EEEB Cc1ccc2cc(C(=O)N(CCC#N)CCN3CCOCC3)[nH]c2c1 65595614 AMULQSMLWRDIPC-UHFFFAOYSA-N 340.427 2.164 30 40 EEEB N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 65609812 OYBFEXZNAVIPMU-OAHLLOKOSA-N 339.399 2.228 30 40 EEEB C=CCNC(=O)CNC(=O)Nc1nn(-c2ccccc2Cl)cc1C 96495574 NTDTVEZBVHVPNP-UHFFFAOYSA-N 347.806 2.258 30 40 EEEB N#C[C@@H]1COCCN1C(=O)COc1ccccc1Cc1ccccc1 72298081 HDUZSHMMGRRUBI-GOSISDBHSA-N 336.391 2.407 30 40 EEEB CCS(=O)(=O)CCN/C(=N/C)N[C@@H](C)c1ccccc1Cl 73807346 VBXXNQWFMFCMOF-NSHDSACASA-N 331.869 2.001 30 40 EEEB N#Cc1cccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1 24247624 AUVUHPQLDNVNIS-UHFFFAOYSA-N 334.423 2.315 30 40 EEEB C[C@H](O)c1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2)s1 225689409 BSGXVTRADFPDDR-NSHDSACASA-N 336.438 2.194 30 40 EEEB CN(C)C(=O)N1CCC(C(=O)OCCC#Cc2ccccc2)CC1 96442557 RPXJCYDUGDODEK-UHFFFAOYSA-N 328.412 2.365 30 40 EEEB CCCn1cc(/C(O)=N/S(=O)(=O)Cc2ccc(F)cc2F)cn1 96500841 SFKUSKNWAHSZAZ-UHFFFAOYSA-N 343.355 2.406 30 40 EEEB CCO[C@@H](C)c1nccn1CCS(=O)(=O)c1ccc(C#N)cc1 95438716 HMGJMFFYFBNGQQ-ZDUSSCGKSA-N 333.413 2.326 30 40 EEEB COc1ccc(OC)c(C=Nn2c(S)nnc2C(F)(F)F)c1 245239030 DRCJKZQIRZYOIK-UHFFFAOYSA-N 332.307 2.485 30 40 EEEB C[C@@H]1C[C@H](C(=O)O)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N 600894450 WUOFHIAWDQKDMW-NXEZZACHSA-N 342.804 2.085 30 40 EEEB CC[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CCN1Cc1ccccc1 185332975 RASZQPOHEIWQBN-GOSISDBHSA-N 341.455 2.430 30 40 EEEB CC1=C(O)[C@@H]2[C@@H](O)[C@]3(CC[C@H]4[C@@H](/C=C(\C)C(=O)[C@@]2(O)C1)C4(C)C)CO3 1560408659 JOBKOEODEPTTPY-SRHOMCMESA-N 348.439 2.281 30 40 EEEB COc1cc(C(=O)O/N=C2/C=CC(=O)C(C)=C2)cc(OC)c1OC 4746933 ZXKWLZOEJKQYPH-PDGQHHTCSA-N 331.324 2.310 30 40 EEEB Cc1nccn1C[C@H]1CCCN1S(=O)(=O)Cc1cccc(C#N)c1 76050189 LYPWHDBRUUKFEB-QGZVFWFLSA-N 344.440 2.058 30 40 EEEB N#Cc1ccc(OCCN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1 58332690 TXBVETCEJLVHEK-UHFFFAOYSA-N 325.368 2.048 30 40 EEEB CC(C)Cc1nc(/C(O)=N/S(=O)(=O)c2cccnc2)cs1 64099907 CGNQEUHNKALWJJ-UHFFFAOYSA-N 325.415 2.430 30 40 EEEB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1C#N 15402976 QAOSCDXCPQXRGJ-UHFFFAOYSA-N 341.436 2.371 30 40 EEEB N#Cc1cccc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c1 96001946 PHPWXTKSLNWLSV-UHFFFAOYSA-N 345.380 2.129 30 40 EEEB C=CCO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 72291740 YUJYGYKIBLMXHM-LBPRGKRZSA-N 326.418 2.368 30 40 EEEB CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C#N)c1 83645781 TUWPUVVBVBRYHG-KXNSMUHISA-N 333.457 2.437 30 40 EEEB C#Cc1cccc(NC(=O)Cc2ccc(S(=O)(=O)NCC)cc2)c1 97115893 GNDWVVISDWKYMV-UHFFFAOYSA-N 342.420 2.147 30 40 EEEB N#CCS(=O)(=O)NCC1(c2cccc(Br)c2)CCC1 95439623 FYFLUKBDXCUKTN-UHFFFAOYSA-N 343.246 2.314 30 40 EEEB O=C(C#Cc1ccccc1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 89830426 NKPDQTIXXGXOBX-HXUWFJFHSA-N 346.430 2.388 30 40 EEEB COc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409405167 MUFNKGYOSOWJPM-LWWSYDQCSA-N 330.771 2.490 30 40 EEEB COc1cc2c(cc1OC)/C(=N/Nc1ccc(C(=O)O)cc1)C(=O)N2 43903286 JEAKJMBIYPAYDW-UHFFFAOYSA-N 341.323 2.170 30 40 EEEB CC[C@@H](CC#N)NC(=O)[C@@H](CC(C)(C)O)N(C)C(=O)OC(C)(C)C 585135525 OOHJZWOEJNNACR-QWHCGFSZSA-N 341.452 2.191 30 40 EEEB C=CCOCCCNC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 618515747 GNQUCPWQIISMPT-MRXNPFEDSA-N 340.427 2.216 30 40 EEEB C=CCn1c(=O)[nH]c2nc3cc(-n4c(C)ccc4C)ccc3nc2c1=O 13550926 MIOZRJDOTFBAEE-UHFFFAOYSA-N 347.378 2.227 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)C2CC2)CC1 25102017 MGKIELZZLFEINK-UHFFFAOYSA-N 325.412 2.165 30 40 EEEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 1775995628 CCPSBBVUSWFTIW-KRWDZBQOSA-N 336.395 2.208 30 40 EEEB N#Cc1cccnc1N1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1 2298183914 DHWJSPHIWGENQJ-AWEZNQCLSA-N 334.370 2.427 30 40 EEEB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1sccc1C#N 30009912 MORMWYJFLVZICY-QMMMGPOBSA-N 327.369 2.228 30 40 EEEB C#CCNC(=O)CN(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 54395678 KTKTYWXNOLKMOG-UHFFFAOYSA-N 342.361 2.426 30 40 EEEB CN1C(=O)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 100436041 OWJHNCCIYIXONQ-SAPNQHFASA-N 341.283 2.296 30 40 EEEB CN(Cc1ccc2c(c1)OCO2)c1ncnc2c1cnn2CCC#N 65533136 HMQSWGNZARONOU-UHFFFAOYSA-N 336.355 2.105 30 40 EEEB COc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cn1 14268925 CVEHSUYSROMROX-UHFFFAOYSA-N 337.383 2.212 30 40 EEEB COc1cc(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cc(OC)c1O 97019209 UKPYHRNTWSODQL-XFFZJAGNSA-N 327.336 2.310 30 40 EEEB N#Cc1ccsc1N1CC[C@H](n2nc(-c3ccco3)oc2=O)C1=O 95990780 RXGGKXPHEYWVSP-JTQLQIEISA-N 342.336 2.007 30 40 EEEB CC(=O)N1CCC(=NOC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 408609100 NWVXWUWHUGBROH-UHFFFAOYSA-N 339.735 2.403 30 40 EEEB C[C@@H]1C[C@H](OC[C@@H](S)CN2CCN(CO)CC2)CC(C)(C)C1 33532818 ICRJMXAQCCNBSP-PMPSAXMXSA-N 330.538 2.084 30 40 EEEB C#CCOc1ccc2ccccc2c1C=C1C(=O)N(C)C(=O)N(C)C1=O 408817199 VLOKXLWTQVATPE-UHFFFAOYSA-N 348.358 2.286 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1cccs1 75156026 OMRVAAHGPWVLDQ-LBPRGKRZSA-N 349.799 2.061 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)c1 1775973901 OYGDXANWVASJNN-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB N#CC1(C#N)[C@H](c2ccco2)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@H]21 20439775 GQBPQIBYXRTVJF-IKGGRYGDSA-N 330.347 2.292 30 40 EEEB COc1c2c(cc3c1[C@H](C#CCN1CCCC1)N(C)CC3)OCO2 487090 GBBHOVXMTWFAEM-HNNXBMFYSA-N 328.412 2.052 30 40 EEEB biogenic COc1ccc2c(c1)N(C[C@@H](O)COc1ccc(C#N)cc1)CCO2 75954987 CYBVUCKOZNJGQO-OAHLLOKOSA-N 340.379 2.206 30 40 EEEB N#Cc1cccc(S(=O)(=O)Oc2ccc3ccc(=O)oc3c2)c1 23742562 SOBQPCWCFQRBOC-UHFFFAOYSA-N 327.317 2.432 30 40 EEEB COCc1cc(C)nc(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1C#N 59433707 ORTLGENQKQWPEG-QGMBQPNBSA-N 341.327 2.468 30 40 EEEB N#Cc1ccccc1NC(=O)CCn1nnc(-c2cccc(F)c2)n1 12918839 POWXSWBLJJIFGG-UHFFFAOYSA-N 336.330 2.380 30 40 EEEB N#C[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)c1ccc(F)cc1F 68416358 LRHCYCUDRGEKLH-CQSZACIVSA-N 342.367 2.003 30 40 EEEB N#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408814302 FNRXZYJSDHSNGC-NTCAYCPXSA-N 347.330 2.255 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1NCCCc1cccc(F)c1 84372444 GEIRAYHBTAFECR-UHFFFAOYSA-N 333.388 2.389 30 40 EEEB C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC(=O)N(C)C 95953628 DAWQQRBKBWTXSQ-CYBMUJFWSA-N 348.472 2.039 30 40 EEEB CCOC(=O)c1sc(N2CCNCC2)nc1-c1ccc(C#N)cc1 21986859 VHSZJNHEUIPKHF-UHFFFAOYSA-N 342.424 2.268 30 40 EEEB N#Cc1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1 216780508 BDLOGFXODQXOOI-GOSISDBHSA-N 335.367 2.322 30 40 EEEB COC(=O)c1ccccc1Cn1cc2c(c(C#N)c1=O)CCCC2=O 585123022 QNHTZKLZXPZWBY-UHFFFAOYSA-N 336.347 2.074 30 40 EEEB N#Cc1ccc(OS(=O)(=O)[C@H]2CCO[C@H](C(F)(F)F)C2)cc1 1615586695 XHHRUTVLXKRTPZ-RYUDHWBXSA-N 335.303 2.377 30 40 EEEB COc1cccc(NC(=O)COc2ccc(C(=O)OCC#N)cc2)c1 3334785 QNHNQLWOIPTUCA-UHFFFAOYSA-N 340.335 2.393 30 40 EEEB N#Cc1ccnc(OCC2CCN(C(=O)Cc3cccnc3)CC2)c1 1775995883 MCLFNZXMHSNQCL-UHFFFAOYSA-N 336.395 2.208 30 40 EEEB N#Cc1ccc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)cn1 2298036510 NLUZTXUNCRZGAA-ZDUSSCGKSA-N 334.370 2.427 30 40 EEEB COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc(OC)c1OC 147756 RTEYEXBNNSLYFY-OAHLLOKOSA-N 344.371 2.182 30 40 EEEB CCC[C@@H](C)NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086589 IJMXPDWIUAZOCO-MRXNPFEDSA-N 328.460 2.375 30 40 EEEB C=CCC1([C@H](CC(=O)CCC)c2ccccc2)C(=O)NC(=O)NC1=O 3022493 MAMHNWXQNRQJGV-OAHLLOKOSA-N 342.395 2.458 30 40 EEEB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1cnnc1C#N 53225075 OELRLXCHOTXRBU-UHFFFAOYSA-N 339.443 2.423 30 40 EEEB Cc1nc(-c2ccc(OCC(=O)N[C@@](C)(C#N)C(C)C)cc2)no1 44911220 IOHQGIVXDJFSPX-KRWDZBQOSA-N 328.372 2.478 30 40 EEEB Cc1ccn2c(=O)cc(CO/N=C/c3cccc([N+](=O)[O-])c3)nc2c1 13008913 HWYUOOGFOJOMSM-VCHYOVAHSA-N 338.323 2.462 30 40 EEEB C[C@H](Sc1nc2ncccn2n1)C(=O)N(C)C1(C#N)CCCCC1 14093053 PDQJTCOXPHGRQK-LBPRGKRZSA-N 344.444 2.290 30 40 EEEB CCCCNC(=O)CSc1nc(C)c(C(=O)OCC)cc1C#N 7149492 WJMVQSANDPEQDN-UHFFFAOYSA-N 335.429 2.447 30 40 EEEB Cc1cc(CN/C(=N/C2CC2)NCCCn2nc(C)cc2C)on1 84104680 SGHJTHDTGGMOSA-UHFFFAOYSA-N 330.436 2.084 30 40 EEEB CS(=O)(=O)c1cc2c(nc1O)CC/C(=C\c1ccccc1)C2=O 71916330 LNQYJXAEKGVBBW-FMIVXFBMSA-N 329.377 2.403 30 40 EEEB O=C(Nc1ccccc1C#Cc1ccccc1)N1CCO[C@@H](CO)C1 78652467 YPMYTZNEFXTYKF-GOSISDBHSA-N 336.391 2.311 30 40 EEEB CN(C)C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 97252406 XEQGWZZNCKUSDK-SFHVURJKSA-N 343.452 2.281 30 40 EEEB Cc1nc(-c2cccc(C#N)c2)nn1C[C@@H](O)CN1CCC(C)CC1 95974835 HNHSIQZHTCONJJ-SFHVURJKSA-N 339.443 2.218 30 40 EEEB Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(F)c(C#N)c1 89689203 HZWZZVQOCXIQAO-INIZCTEOSA-N 334.372 2.018 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)N1CCN(C[C@@H]2CCCO2)CC1 78550168 DCOWBEPIWDSKNT-INIZCTEOSA-N 328.416 2.195 30 40 EEEB C=CCNC(=O)CN(CC)S(=O)(=O)c1ccc2ccccc2c1 39986760 RZCLWDHDFYXZSS-UHFFFAOYSA-N 332.425 2.153 30 40 EEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cc3ccccn3c2)C1 225485826 HFCSGPIJVLZWTH-INIZCTEOSA-N 347.378 2.285 30 40 EEEB C[C@@H](CNS(=O)(=O)CC#N)Sc1ccc(Br)cc1 96484880 CRRLBHDUOSUVMC-VIFPVBQESA-N 349.275 2.373 30 40 EEEB C=CCN(Cc1cccs1)S(=O)(=O)c1c[nH]c(C(=O)O)c1 584025132 PYDSEKJAZZMDKX-UHFFFAOYSA-N 326.399 2.151 30 40 EEEB Cc1cc(C(=O)OCC(=O)NCCC#N)c(C)n1-c1ccccc1 4835390 QVNQCUNXZGQFNP-UHFFFAOYSA-N 325.368 2.281 30 40 EEEB C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(N)=O 483911 UBNISPLQFHXSJM-UHFFFAOYSA-N 337.836 2.307 30 40 EEEB CN(C)[C@@H]1CCOC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 108526417 YZIVLMZZTOZMJN-QGZVFWFLSA-N 327.428 2.274 30 40 EEEB N#Cc1c(CN2CCC(c3ccnn3CCO)CC2)cn2ccccc12 58305865 UTBYSYQYVSAOFU-UHFFFAOYSA-N 349.438 2.379 30 40 EEEB CN1CCN(/N=C/c2ccc(OC(F)F)cc2OC(F)F)CC1 3244884 QFSQASTVMWDQOU-DJKKODMXSA-N 335.301 2.471 30 40 EEEB Cc1nn(C[C@@H](O)COc2cccc3ccccc23)c(=O)c(C#N)c1C 12766199 AWTBWMOAQFAYJE-MRXNPFEDSA-N 349.390 2.325 30 40 EEEB C=CCNc1nc(C(=O)OCC(=O)NCc2cccs2)cs1 3569012 LNODQRHODATTEV-UHFFFAOYSA-N 337.426 2.276 30 40 EEEB CC(C)N(CCC#N)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 69415141 BPDVQRXELIIIGE-UHFFFAOYSA-N 330.356 2.447 30 40 EEEB CCOC(=O)c1cnc(SCC(=O)c2ccc(C#N)cc2)nc1N 8787839 XMGJHCWLJRAGCL-UHFFFAOYSA-N 342.380 2.082 30 40 EEEB COc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 7376189 XGGQQKBCYBTFGN-UHFFFAOYSA-N 332.381 2.054 30 40 EEEB N#Cc1cccc(COc2ccc(NC(=O)NCCO)cc2F)c1 71796296 DOKZPTUDKMHRGF-UHFFFAOYSA-N 329.331 2.390 30 40 EEEB COC(=O)N1CCC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)C1 71803815 SYNDLOJACONBRD-RYUDHWBXSA-N 327.340 2.482 30 40 EEEB C[C@H]1CN(CCC2CCN(c3nccnc3C#N)CC2)C[C@@H](C)O1 79021925 NYJBLBVGVSHMQH-GASCZTMLSA-N 329.448 2.064 30 40 EEEB Cc1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)c(N(C)C)n1 95988777 YGRRPLJDOYNZQK-UHFFFAOYSA-N 330.413 2.270 30 40 EEEB CS(=O)(=O)CCOCCNc1ccc(C(F)(F)F)c(C#N)c1 95972450 ONJBZHDKBQEABE-UHFFFAOYSA-N 336.335 2.050 30 40 EEEB N#Cc1ccc(N2CC[C@@H](NC[C@H]3CCCn4ccnc43)C2=O)cc1 89780995 VPEUIVQMGIGOGU-NVXWUHKLSA-N 335.411 2.027 30 40 EEEB CCO[C@@](O)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(F)(F)F 73316809 VONNDZUFYWLTIP-MRVPVSSYSA-N 337.138 2.088 30 40 EEEB C[C@H](NC(=O)c1sccc1C#N)C1(N2CCOCC2)CCCC1 85293246 FYYXFFXFBXCAHX-ZDUSSCGKSA-N 333.457 2.383 30 40 EEEB C=CCn1c2c(ccc1=O)C[C@@H](NC(=O)Cc1cccs1)CC2 96189712 QUIPNJZILVNOHZ-AWEZNQCLSA-N 328.437 2.312 30 40 EEEB N#Cc1cccc(NC(=O)c2cn(C[C@@H](O)c3cccs3)nn2)c1 85470494 DWSDYROFPBHIKS-CQSZACIVSA-N 339.380 2.197 30 40 EEEB CSCCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40512124 JYNQHSYKVJBDNI-UHFFFAOYSA-N 346.412 2.208 30 40 EEEB N#Cc1cnn2c(O)cc(CSc3ncn(-c4ccccc4)n3)nc12 40536229 OLSRJUYGEAIJNW-UHFFFAOYSA-N 349.379 2.180 30 40 EEEB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(C#N)c1 22279130 JREJZJIHNCFUHH-UHFFFAOYSA-N 330.365 2.108 30 40 EEEB N#C[C@@H](C(=O)c1ccc(OCC2CC2)cc1)C(=O)N1CCSCC1 102759067 TWNYAUIRMFJJHQ-INIZCTEOSA-N 344.436 2.373 30 40 EEEB COc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1C#N 78898608 XMXLOPUXOQDZKI-CXAGYDPISA-N 327.428 2.303 30 40 EEEB C=C(C)C[C@H]1N(Cc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 6668045 JPJOEQINNVCNRK-XFEYQPKCSA-N 339.391 2.388 30 40 EEEB COc1cc(/C=N/n2c(S)nnc2C(F)F)cc(OC)c1O 8469718 MYBNYUJEUPJZOV-PJQLUOCWSA-N 330.316 2.109 30 40 EEEB CN1CCc2nc(SCC(N)=O)c(C#N)c(-c3cccs3)c2C1 19889286 FOXINZYQONVFTK-UHFFFAOYSA-N 344.465 2.247 30 40 EEEB C=CCSCC(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 75145741 ZYFQLVRSCXZQMM-WBVHZDCISA-N 334.485 2.311 30 40 EEEB C/N=C(\NCc1ccc(OCC(F)(F)F)nc1)NCc1ccco1 75582780 GWEBTPKXXHBSHS-UHFFFAOYSA-N 342.321 2.481 30 40 EEEB N#Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 26539228 MOQYKHQDWRZWPM-UHFFFAOYSA-N 349.390 2.245 30 40 EEEB COCc1cc(C)nc(N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1C#N 35183083 ORTLGENQKQWPEG-LSCVHKIXSA-N 341.327 2.468 30 40 EEEB CN1C[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)Cc2ccccc21 585128441 BJTDTNUFQPJBHD-OALUTQOASA-N 344.418 2.418 30 40 EEEB CCN(CC(=O)NCCC#N)Cc1ccc(Br)s1 44889335 OOZHMDAHIKMYDT-UHFFFAOYSA-N 330.251 2.362 30 40 EEEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cnn(Cc3ccccc3)c2)C(=O)O1 101006963 UGYBOUFCZMJYNG-LKGOPFMKSA-N 336.347 2.160 30 40 EEEB COc1cc([C@H]2NC(=O)NC3=C2C(=O)CCC3)cc(OC)c1OC 67299 YXRHHRQJPSGUEK-OAHLLOKOSA-N 332.356 2.073 30 40 EEEB CCC1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(C(F)(F)F)C1 814218 AWXULZQZLBEGPA-AWEZNQCLSA-N 341.289 2.186 30 40 EEEB C=CCNC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 7986072 RRNOKWIBOZCHGI-UHFFFAOYSA-N 345.182 2.091 30 40 EEEB N#CCCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 3271030 CLLBWBLASHRXAV-UHFFFAOYSA-N 343.295 2.291 30 40 EEEB CN(CCC#N)S(=O)(=O)NCC(C)(C)c1cccc(Cl)c1 58191664 KEJWAACYYVLPAQ-UHFFFAOYSA-N 329.853 2.297 30 40 EEEB Cc1cc(C)c(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)c(C)c1 17068803 QYSDVWMFJOBDFX-RQZCQDPDSA-N 334.397 2.335 30 40 EEEB C#CCN(C(=O)Cc1ccc(CCCC)cc1)[C@H]1CCS(=O)(=O)C1 69950614 VCCVLYXCSGMROJ-SFHVURJKSA-N 347.480 2.221 30 40 EEEB COCc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 14186242 PEUBAUDNYVVBHW-UGSOOPFHSA-N 332.400 2.433 30 40 EEEB C=CCNC(=S)N/N=C/c1cc(Br)c(O)c(OC)c1 6549670 CAAHWNCPXOWYLT-VIZOYTHASA-N 344.234 2.147 30 40 EEEB N#Cc1ccccc1N1CCC[C@@H](NC(=O)CC2(O)CCCC2)C1 73499069 PLCCZBZSUSCHST-MRXNPFEDSA-N 327.428 2.338 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1 97495031 OZZHCUJQRGBEEY-MRXNPFEDSA-N 325.368 2.258 30 40 EEEB biogenic CC(C)C1=C[C@H]2[C@@H]3[C@@H](C(C(C)C)=CC(=O)[C@]3(C)O)[C@@H]1C(=O)[C@]2(C)O 98214408 YNYHPBIGKWCFOA-GNNUITGDSA-N 332.440 2.297 30 40 EEEB endogenous COc1c(C)cnc(CN2CCN(c3ccc(C#N)cn3)CC2)c1C 96403673 SMZMTLVDICHZEH-UHFFFAOYSA-N 337.427 2.296 30 40 EEEB CN(c1ccccc1)[C@@H]1CCN(C(=O)CC2(C#N)CCOCC2)C1 598379297 SJUFXSHJAKUORC-QGZVFWFLSA-N 327.428 2.434 30 40 EEEB CCNC(=S)N/N=C/c1cc(Br)cc(OC)c1OC 6154271 JUQWVTXEDOVUSY-VIZOYTHASA-N 346.250 2.284 30 40 EEEB C#CCNC(=O)C1(C[C@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12365670 FBPXQCWTYTYDAF-QGZVFWFLSA-N 340.423 2.424 30 40 EEEB N#Cc1cccc(C(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)c1 575414700 WCRLAKZUCACGRZ-LBPRGKRZSA-N 349.316 2.204 30 40 EEEB Cc1nc(CN2CCC[C@H](NCc3ccc(C#N)cc3F)C2)no1 69742730 QXWJIBPBWDOLJD-HNNXBMFYSA-N 329.379 2.143 30 40 EEEB Cc1cccc(NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)c1C 32776342 PQZXDXJGPPKTLQ-UHFFFAOYSA-N 328.397 2.298 30 40 EEEB Cc1noc(C)c1CC(=O)N1CCCN(c2ccccc2C#N)CC1 46849017 GVZUHHIBNXYELM-UHFFFAOYSA-N 338.411 2.445 30 40 EEEB N#Cc1ncn(Cc2nc(N)c3c4c(sc3n2)CCCCC4)n1 12543110 IGYZCSLYSJYSNZ-UHFFFAOYSA-N 325.401 2.054 30 40 EEEB CN(C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)C(C)(C)C#N 24856182 RSOVCUNQRSDPLI-UHFFFAOYSA-N 342.443 2.098 30 40 EEEB C=CCO[C@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 58111616 GGGVYGCNEIIYOZ-GFCCVEGCSA-N 342.395 2.430 30 40 EEEB C=CCOC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 12992951 AGNBCDLPSVXPJX-SFHVURJKSA-N 328.368 2.103 30 40 EEEB COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C#N 4024571 JWAQPQBGSIUXQQ-UHFFFAOYSA-N 339.355 2.197 30 40 EEEB Cc1cc(O)ccc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N 5182970 ILGJXELDKKNWNI-UHFFFAOYSA-N 334.379 2.304 30 40 EEEB COc1cc2c(cc1OC)CN(CCNc1ncccc1C#N)CC2 65512819 IUCBAVOJEQTTQB-UHFFFAOYSA-N 338.411 2.441 30 40 EEEB Cc1cccc(N/C(N)=N/c2nc(C)c(CC#N)c(=O)[nH]2)c1Cl 20503618 PKYLMRAHZMAEAK-UHFFFAOYSA-N 330.779 2.165 30 40 EEEB OC1=N[C@@H]2CCCC[C@@H]2N(/C(O)=N/CCc2cnc(C3CC3)nc2)C1 328883106 XPILCEAQQHNOAB-CABCVRRESA-N 343.431 2.394 30 40 EEEB CCN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2C#N)CC1 226280329 HIOKQAVHHFSBLZ-UHFFFAOYSA-N 326.322 2.201 30 40 EEEB C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccnc1OCCCC 585101669 MAQZDZIYZSSAKC-MRXNPFEDSA-N 333.432 2.348 30 40 EEEB N#Cc1cc(N2CCN(CCOc3ccccc3C#N)CC2)ccn1 1616034103 XNVOLFZRLCZEPR-UHFFFAOYSA-N 333.395 2.026 30 40 EEEB Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C#N)C2)cc1C(=O)O 903883195 FJUPPGPHBBOBAT-JTQLQIEISA-N 342.804 2.271 30 40 EEEB C[C@H](NC(=O)C1(C#N)CCCC1)c1cccc(NS(C)(=O)=O)c1 57294616 CAPZUGZICYKTOX-LBPRGKRZSA-N 335.429 2.319 30 40 EEEB N#Cc1nccnc1N1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1 206603982 FHRIRSMNEBRRBG-OAHLLOKOSA-N 325.416 2.037 30 40 EEEB C=CCNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 10338325 DCNWFNKNBADLCO-UHFFFAOYSA-N 344.864 2.497 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1ccc([N+](=O)[O-])cc1 12349087 MIECPVAJXRZYAC-AWEZNQCLSA-N 340.343 2.239 30 40 EEEB C[C@](C#N)(NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)C1CC1 34868291 HHRKKTNZAXXJOS-GOSISDBHSA-N 346.862 2.270 30 40 EEEB N#Cc1ccc(OCC(=O)N(CCC(=O)O)Cc2ccccc2)cc1 13429132 DSSILMXZUPBSFS-UHFFFAOYSA-N 338.363 2.441 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](Cc1ccc(F)cc1)C(N)=O 69738686 AADRIROCAIIWTH-CYBMUJFWSA-N 342.330 2.362 30 40 EEEB CC(C)(C)NC(=O)CN/C(=N/Cc1cccs1)NCc1ccco1 72271803 HGAIIXHGBVBKOU-UHFFFAOYSA-N 348.472 2.491 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)c1 72294293 GSRRANCWAGRINW-MRXNPFEDSA-N 342.782 2.110 30 40 EEEB N#Cc1cccc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1 96500977 PYJXEHDUOROMQH-FQEVSTJZSA-N 349.434 2.445 30 40 EEEB COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(c2noc(C)n2)CC1 96417413 UPNYIUARVZXUDL-MRXNPFEDSA-N 340.383 2.343 30 40 EEEB COCCNC(=O)NCC#CCOc1cccc(C(F)(F)F)c1 85474105 WWPZOIXYZKRIMJ-UHFFFAOYSA-N 330.306 2.033 30 40 EEEB CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@H]1COCC[C@@H]1C#N 1616037623 LIESKCZMFBHROF-SJORKVTESA-N 347.440 2.029 30 40 EEEB COc1ccc(C(=O)O/N=C2\C(=O)N(C)c3ccccc32)cc1OC 208816 ACHFOCGLAZZWOA-MNDPQUGUSA-N 340.335 2.241 30 40 EEEB Cc1ccc(F)cc1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776411 SCNATXIRSLXPFU-UHFFFAOYSA-N 332.360 2.128 30 40 EEEB Cc1nc(C(=O)N2CCC[C@@H](Oc3cc(C#N)ccn3)C2)cs1 575605080 HDEMFWYLDJLGGG-CYBMUJFWSA-N 328.397 2.402 30 40 EEEB C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)NC 44085757 AHCHMWQJVXTRJX-UHFFFAOYSA-N 332.385 2.482 30 40 EEEB N#Cc1ccsc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 22367735 VXAASSCRHUVWAJ-UHFFFAOYSA-N 329.168 2.122 30 40 EEEB CCCN1C/C(=C/c2csnn2)C(=O)/C(=C/c2csnn2)C1 44013564 XGJHZSGRFHNPOL-WIZYTBDYSA-N 333.442 2.151 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1C[C@@H]1CCOC1 58277630 NXOXPWCSDDCSIZ-KGLIPLIRSA-N 340.383 2.197 30 40 EEEB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)/N=C(\O)c1ccco1 97107219 NYJAIQRCGWTOJW-UHFFFAOYSA-N 325.390 2.442 30 40 EEEB COCCN(C(=O)c1ccc(-n2ccnn2)cc1)c1ccc(C#N)cc1 89815587 DSBFSLFAWQHNPT-UHFFFAOYSA-N 347.378 2.432 30 40 EEEB N#C[C@@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218440808 SSIJPRGSGPHKOC-HLLBOEOZSA-N 345.351 2.360 30 40 EEEB N#Cc1c(Cl)nsc1N1CCC[C@H]1C(=O)N1CCSCC1 75048904 URRBZIOBHHMVIT-JTQLQIEISA-N 342.877 2.212 30 40 EEEB Cn1nc(N)c2c1CN(c1nc3c(c(C#N)c1C#N)CCCCCC3)C2 596266750 UJYDIQRSUYWRRG-UHFFFAOYSA-N 347.426 2.320 30 40 EEEB C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@@H](C)[C@@H](O)[C@@H]3[C@@H]1O)C2(C)C 2061000263 SDBITTRHSROXCY-MAEKRNLMSA-N 334.456 2.233 30 40 EEEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)c4cc[nH]c4)C3)CC2=O)c1 1565551058 IUUNIPAFJFRKDK-IBGZPJMESA-N 334.379 2.156 30 40 EEEB N#Cc1ccc(N2CCCN(c3cc(Cl)nc(N)n3)CC2)cc1 52189385 AJHNBUFNIDETMH-UHFFFAOYSA-N 328.807 2.301 30 40 EEEB C#CCN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 2348016 KRLCFAKGXBWMSQ-DYESRHJHSA-N 331.371 2.299 30 40 EEEB COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(C(F)(F)F)cc1 103502788 ZHRGOPVAKGYQCX-LBPRGKRZSA-N 328.290 2.181 30 40 EEEB C#CCN1CCC(C(=O)NCc2ccc(N(CC)CC)cc2)CC1 57175520 APXLNPOZWQNGLO-UHFFFAOYSA-N 327.472 2.494 30 40 EEEB N#Cc1ccc(NCC(=O)Nc2ccn(Cc3ccncc3)n2)cc1 58218232 KIVCBIJJSFSGAN-UHFFFAOYSA-N 332.367 2.249 30 40 EEEB C=CCN(CC=C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 5214751 YTAIUXJLYYZGDJ-UHFFFAOYSA-N 333.457 2.338 30 40 EEEB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccccc1C#N 65514965 KIENDRQNZZHBKS-FTJFNGAWSA-N 343.452 2.388 30 40 EEEB C=C1CCN(C(=O)C2CCN(S(=O)(=O)CCCC)CC2)CC1 65515835 GVEIENPSPACIOH-UHFFFAOYSA-N 328.478 2.007 30 40 EEEB C=CCNc1ncc(C(=O)N2CCN(c3ccccc3O)CC2)s1 95416182 VVEUWFCVGPUGDT-UHFFFAOYSA-N 344.440 2.409 30 40 EEEB Cn1cc(C#N)cc1C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 89662201 XILXLXRHIOHDBO-AWEZNQCLSA-N 346.431 2.416 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(C#N)cc3)C2=O)cc1 408528145 SJIDXUBBNXSIFA-MRXNPFEDSA-N 346.346 2.468 30 40 EEEB CC[C@@H](C)CC(=O)O[C@@H]1C(=O)C(CO)=C[C@@H](OC(C)=O)[C@H]1C(C)C 35457764 MPXXSICHRNCHHK-FJQTWTKGSA-N 340.416 2.040 30 40 EEEB biogenic,in-vitro COC(=O)c1ccc(COc2ccc(/C=N\NC(N)=S)cc2)cc1 31870555 HBZSYHNATHKFLH-GRSHGNNSSA-N 343.408 2.219 30 40 EEEB N#Cc1cc2c(nc1SCC(=O)N[C@H]1CCSC1=O)CCCC2 270518500 ZMUUOGYWYKURTC-ZDUSSCGKSA-N 347.465 2.072 30 40 EEEB CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc1C 32672372 WXSBRYFKKCFKOD-OCCSQVGLSA-N 347.440 2.240 30 40 EEEB COCCOc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1 30436798 ZMYZAUPIGSOFQO-UHFFFAOYSA-N 346.408 2.062 30 40 EEEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(Br)o1 100871228 YLNBAZXFKASTQD-QMMMGPOBSA-N 334.129 2.398 30 40 EEEB COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1OC 808106 AFANBIPJLBQLHZ-AWEZNQCLSA-N 329.308 2.163 30 40 EEEB CN1CCc2c(sc(/N=C\c3nc4ccccc4[nH]3)c2C(N)=O)C1 51091484 VRBGRBHWBBVTDH-UWVJOHFNSA-N 339.424 2.462 30 40 EEEB CCOC(=O)N1CCC[C@@H](C(=O)Oc2ccc(C#N)cc2OC)C1 24758632 DNWKCDDWIFGLCC-CYBMUJFWSA-N 332.356 2.341 30 40 EEEB CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)C1(C#N)CCCCC1 6610494 WAOFIXIPTRTHTE-UHFFFAOYSA-N 344.367 2.257 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccs1 4977633 AMWZBCCYNRWMIU-UHFFFAOYSA-N 331.309 2.323 30 40 EEEB Cc1ccc(-n2c(S[C@H](C)C#N)nnc2N2CCOCC2)cc1 9322811 WBLIEJUUBRTYQM-CYBMUJFWSA-N 329.429 2.417 30 40 EEEB Cc1ccn(CC(=O)Nc2ccccc2OC(F)F)c(=O)c1C#N 97114960 RNCJAYMCPDXITM-UHFFFAOYSA-N 333.294 2.269 30 40 EEEB N#CC1(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CCCC1 78510808 CATMBDIWJHWDGN-UHFFFAOYSA-N 346.452 2.292 30 40 EEEB CC(C)(C)[C@@H](C#N)NC(=O)c1cncc(I)c1 95441319 KXEWVIQFJMTBPK-SNVBAGLBSA-N 343.168 2.354 30 40 EEEB CCOc1ccc(-c2cn(C3CN(c4nccnc4C#N)C3)nn2)cc1 95999411 NNKUKMVLZJJZIA-UHFFFAOYSA-N 347.382 2.067 30 40 EEEB CCOc1ccccc1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776354 LFZVELROKCIIJK-UHFFFAOYSA-N 344.396 2.080 30 40 EEEB Cc1cn2nc(N[C@H]3CCN(c4cccc(F)c4C#N)C3)ccc2n1 562422793 GXRNMZRMAFMGGO-ZDUSSCGKSA-N 336.374 2.739 30 40 EEEB C=CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 223408241 IOYGHHGFTSJZMB-UHFFFAOYSA-N 348.424 2.325 30 40 EEEB C1=CCC(N/C(=N\C[C@@H]2CCCCO2)NCc2nc(C3CC3)no2)C1 195564451 YYBAMZZQXXKUGY-HNNXBMFYSA-N 345.447 2.270 30 40 EEEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1 40268215 BBORYZMHFAFQKL-INIZCTEOSA-N 338.367 2.013 30 40 EEEB CN1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccccc1 249027061 LCHUWWUVQXOPHC-DOTOQJQBSA-N 338.415 2.364 30 40 EEEB CC[C@H](C#N)NC(=O)[C@@]1(O)CCc2cc(Br)ccc2C1 585123653 UWKBWPCFLQSELH-UKRRQHHQSA-N 337.217 2.087 30 40 EEEB C=CC[C@@H]1N(C(=O)CCn2cnc3c(N)ncnc32)CCCC1(C)C 614054043 AVCZAEIHPLTQGY-ZDUSSCGKSA-N 342.447 2.392 30 40 EEEB C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(OCCF)c2)C1=O 390835613 SJXJMXXUUYSHKQ-OAHLLOKOSA-N 335.379 2.286 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc2c(c1)OC(F)(F)O2 39992475 ZKGHNWLNEZEPFK-CQSZACIVSA-N 325.315 2.474 30 40 EEEB C=CCOc1ccc(C(=O)N2CC[C@H]3CN(C)CCO[C@H]3C2)cc1 1565547523 JTAGUSWONFBTOC-WMZOPIPTSA-N 330.428 2.044 30 40 EEEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccc(F)cc1 4520698 OWWUNWWEYSRQAA-TURKWSHLSA-N 331.343 2.081 30 40 EEEB Cc1cc(C)n(C[C@@H]2CCCCN2CC(=O)N[C@@](C)(C#N)C2CC2)n1 70019120 PFJSEDKJZUENGZ-HKUYNNGSSA-N 343.475 2.163 30 40 EEEB CCOc1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 42304115 QBIWTVHBUMJOCZ-UHFFFAOYSA-N 330.365 2.076 30 40 EEEB CC(C)C[C@@](C)(C#N)NC(=O)CSc1nnnn1C1CCCC1 58174757 XKBQPYXOPHSXDA-HNNXBMFYSA-N 336.465 2.325 30 40 EEEB CCOC(=O)CSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 5238329 FCXJVQZPCDWEJW-UHFFFAOYSA-N 329.381 2.272 30 40 EEEB C=CCN(CC=C)S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C 65626827 GXQBMUPMURJHAW-UHFFFAOYSA-N 343.470 2.070 30 40 EEEB O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1 81557396 FCHXXVALZUJUHF-KRWDZBQOSA-N 333.391 2.310 30 40 EEEB Cc1c(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc(C#N)n1C 97143333 SRODFPZIYQWDKV-QGZVFWFLSA-N 331.441 2.081 30 40 EEEB N#Cc1cnc(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cn1 123513755 GTVXHMNYUTTZJC-MRXNPFEDSA-N 343.818 2.487 30 40 EEEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccccc1 217437514 QPSDOUVIFBNZQY-UHFFFAOYSA-N 346.408 2.461 30 40 EEEB COC(=O)[C@H](C#N)[C@@](C#N)(C(=O)OC)[C@H]1C[C@@H](C(C)(C)C)CCC1=O 85409342 VVYTXKBROITZSS-RSLFNQERSA-N 348.399 2.014 30 40 EEEB O=C1C=C(SCCCC(=O)N2CCOCC2)C(=O)c2ccccc21 1560589 RORXZBTYFBWJQC-UHFFFAOYSA-N 345.420 2.322 30 40 EEEB Cc1nnc(/N=C(\O)CN2CCN(Cc3ccc(F)cc3)CC2)s1 22923047 IOUDHGLEVNTOBT-UHFFFAOYSA-N 349.435 2.391 30 40 EEEB CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccc(Cl)c(Cl)c1 12412918 UQNYGYOJCINHNM-SXGWCWSVSA-N 330.200 2.223 30 40 EEEB CN(C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C1(C#N)CCC1 58357542 FPCSJMFEXOCVDP-UHFFFAOYSA-N 329.444 2.224 30 40 EEEB CCCSC/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48470685 NVGCUOXVNRHXEK-UHFFFAOYSA-N 331.415 2.246 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Br)o1)[C@H]1C=C[C@H]2C1 408719951 UELFMBWVEJCSNZ-PJCDFDNSSA-N 335.157 2.183 30 40 EEEB Cn1ncc2c1CC/C(=C\c1cc3c(cc1[N+](=O)[O-])OCO3)C2=O 84310353 ZZAPCYYBTMJMFZ-RUDMXATFSA-N 327.296 2.270 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(C#N)cc2)C1=O 408526789 GBZSODGVBLYQSW-OAHLLOKOSA-N 346.346 2.468 30 40 EEEB C=CCn1nc(C)c(CCC(=O)Nc2cccc(C(N)=O)c2)c1C 72243098 RDPCYWYYERPSFJ-UHFFFAOYSA-N 326.400 2.356 30 40 EEEB CCC(=O)Nc1ccc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)cc1 194813518 VPVIYKRQHWGFQR-MRXNPFEDSA-N 335.429 2.348 30 40 EEEB C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccc3c(c2)OCO3)O1 96186082 WDUKWPRJTSFELE-JYJNAYRXSA-N 345.395 2.380 30 40 EEEB N#Cc1cccc(CN2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)c1 96183986 YJFYJELYYAXYCU-MOPGFXCFSA-N 332.407 2.329 30 40 EEEB N#CCC[C@H](C#N)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 96452420 NDWCWIHYKNHJQQ-QGZVFWFLSA-N 342.418 2.346 30 40 EEEB CN1CCC(N(C)CCN(C)C(=O)Nc2ccc(C#N)cc2)CC1 47671891 ALTKRNZVGLHLQA-UHFFFAOYSA-N 329.448 2.048 30 40 EEEB N#Cc1ccc(NCC(=O)NCC(=O)N2CCCc3ccccc32)cc1 58264240 HQQXVHRPJSENNF-UHFFFAOYSA-N 348.406 2.066 30 40 EEEB N#Cc1cccc(Cl)c1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 71893817 FDMFITCVENYHCK-GDBMZVCRSA-N 335.835 2.361 30 40 EEEB N#C[C@@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@@H]1c1cccnc1 14163310 CZFZGYPEGBEBIU-UONOGXRCSA-N 331.335 2.197 30 40 EEEB N#Cc1ncccc1N1CCC(COc2ccc3nccn3n2)CC1 1888875674 ARJCUZBBCUZPOD-UHFFFAOYSA-N 334.383 2.291 30 40 EEEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1)c1ccc(F)cc1 15919941 PLUYFFJSGJBNAP-INIZCTEOSA-N 341.338 2.396 30 40 EEEB CCCc1noc([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1 29452375 YTGPULCYMOABCC-CYBMUJFWSA-N 326.404 2.172 30 40 EEEB C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2C)C1 32779912 ZTYRLLZOVBDUKN-LLVKDONJSA-N 337.217 2.413 30 40 EEEB Cc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2[nH]ncc2c1 69442282 ZTUWFZRATOCILZ-UHFFFAOYSA-N 346.394 2.100 30 40 EEEB CC(C)NC(=O)[C@@H](C#N)C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 103851181 CEDDBGNTOONETO-AWEZNQCLSA-N 329.400 2.062 30 40 EEEB Cc1cc(N[C@@H]2CCS(=O)(=O)C2)n2c(nc3ccccc32)c1C#N 12520086 OSQJUBHXZWIHRW-GFCCVEGCSA-N 340.408 2.267 30 40 EEEB CC(C)c1ccc2c(c1)/C(=N/N[C@@]1(C)CCS(=O)(=O)C1)C(O)=N2 43961446 GVBCONWONXYBFB-INIZCTEOSA-N 335.429 2.283 30 40 EEEB C[C@@H](SCc1cc(=O)n2c([nH]c3ccccc32)c1C#N)C(=O)O 3319625 GULQCZYYKHCNEZ-SECBINFHSA-N 327.365 2.359 30 40 EEEB C#CC(CC)(CC)NC(=O)CSc1nnnn1-c1ccc(C)cc1 18278613 DHDYUXILEXNVKT-UHFFFAOYSA-N 343.456 2.371 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 16043919 QYJKIMMAXAPBGR-VXGBXAGGSA-N 331.397 2.124 30 40 EEEB Cc1cc2c(cc1Br)N(S(=O)(=O)CC#N)C[C@H](C)O2 95439793 MZNJLVYOUIOCNG-VIFPVBQESA-N 345.218 2.198 30 40 EEEB CC(C)COc1cncc(N2CCN(c3cc(C#N)ccn3)CC2)n1 86179131 JCVHSXYIDKVGBV-UHFFFAOYSA-N 338.415 2.105 30 40 EEEB C=CCN1CC[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1=O 96224068 JKFWATJFYAQFQK-IBGZPJMESA-N 327.428 2.397 30 40 EEEB CCc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(SC)n1 1888864041 YPALOIYICAJAHB-UHFFFAOYSA-N 340.456 2.354 30 40 EEEB CC(C)N1CCO[C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)CC[C@@H]2C1 1565547058 MQZHKLQJFLYKKA-RTBURBONSA-N 341.455 2.058 30 40 EEEB COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccco2)cc1OC 808107 AFANBIPJLBQLHZ-CQSZACIVSA-N 329.308 2.163 30 40 EEEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 3383750 VKJJHQYXJIZJFS-UHFFFAOYSA-N 325.280 2.262 30 40 EEEB COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 4540500 OCRJIPVFDAEIMJ-MRXNPFEDSA-N 349.383 2.025 30 40 EEEB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)/C(O)=N/S(C)(=O)=O 97047345 DYMSPVGOGMRQMP-ZCFIWIBFSA-N 327.328 2.082 30 40 EEEB N#Cc1ccc(OCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 8890399 SAZFWLUWRXTANA-HXUWFJFHSA-N 347.374 2.331 30 40 EEEB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1/C=N/c1ccccc1O 4738538 BCFHLBZCBZFOGQ-BFNDQCEFSA-N 341.298 2.133 30 40 EEEB C#CCCN(C)CC(=O)N[C@@H](CC(=O)OC)c1ccccc1Cl 72284295 HFBWDGFDCILYPN-HNNXBMFYSA-N 336.819 2.016 30 40 EEEB CCOc1ccccc1C(=O)NCC(=O)OCc1ccccc1C#N 7322064 MQNHCBQMKXIXKR-UHFFFAOYSA-N 338.363 2.430 30 40 EEEB N#CCN(CC#N)C(=O)c1cnn(-c2cccc(Br)c2)c1 69663293 DGNGZSLSOPFLNX-UHFFFAOYSA-N 344.172 2.124 30 40 EEEB N#Cc1ccc(/C=C2\N=C(S)N(CCCn3ccnc3)C2=O)cc1 17440259 HFGGCZHJOIVDRT-GDNBJRDFSA-N 337.408 2.314 30 40 EEEB Cc1ncc(CN2CC[C@H](Nc3nccnc3C#N)[C@@H](C)C2)s1 110613686 BOWLQIKOJRTRTF-FZMZJTMJSA-N 328.445 2.436 30 40 EEEB C1CCC(N/C(=N/C[C@H]2CCCO2)NCc2nc(C3CC3)no2)C1 73468179 SNSKCVHYKFWWTG-CQSZACIVSA-N 333.436 2.104 30 40 EEEB CN(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 584907847 UPMRUIJBPXFDFY-AWEZNQCLSA-N 326.318 2.487 30 40 EEEB N#CC1(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)CCCC1 585110620 LRHHEYNKXIBLOG-MRXNPFEDSA-N 339.439 2.316 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OC2CSC2)CC1 1548595996 RQRZZEMNDYYATJ-UHFFFAOYSA-N 347.396 2.341 30 40 EEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 225681332 JLZAXLIRSIMOSG-UHFFFAOYSA-N 347.296 2.464 30 40 EEEB COc1cc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1O 9262316 SWAXOTMWKYOUMO-BZNIZROVSA-N 334.335 2.432 30 40 EEEB Cc1ccoc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 48535998 FZNXFNJWCHWXAB-UHFFFAOYSA-N 337.353 2.443 30 40 EEEB COc1ccccc1[C@@H](C#N)NC(=O)c1ccccc1-n1ccnn1 96009657 OHDLTWAMIBLHSY-OAHLLOKOSA-N 333.351 2.271 30 40 EEEB N#C[C@@H](NC(=O)c1[nH]ncc1Br)c1ccc(F)cc1F 72293515 PMJAFGPJWQDVHH-SNVBAGLBSA-N 341.115 2.445 30 40 EEEB N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1 72728797 DAJQSWCIVTVWBC-IAGOWNOFSA-N 344.440 2.358 30 40 EEEB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc(C#N)n(C)c1C 89948826 YCMKXNIEDSFDSM-KSSFIOAISA-N 328.460 2.332 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/Cc3ccco3)C2=O)cc1 408526805 GLZIJFVZHAIFHW-YFEUJDIGSA-N 325.324 2.058 30 40 EEEB O=C1Oc2ccccc2C(=O)/C1=C\NCc1nc2ccc(F)cc2[nH]1 1547201147 XQSLEUFWXGNXCS-XYOKQWHBSA-N 337.310 2.477 30 40 EEEB Cn1cnc2cc(C(=O)N(CCC#N)CCC(F)(F)F)cnc21 97235063 ZSUWXSJQXZGKOP-UHFFFAOYSA-N 325.294 2.277 30 40 EEEB Cc1c(C(=O)NC[C@H](C)Oc2cccc(F)c2)cnn1CCC#N 585131065 KIOVGGZTHLEZLW-LBPRGKRZSA-N 330.363 2.442 30 40 EEEB Cc1occc1C(=O)N1CCN(CCOc2cccc(C#N)c2)CC1 56512452 JHQZZCVYDGBJMQ-UHFFFAOYSA-N 339.395 2.297 30 40 EEEB COc1cc(/C=N/c2ccc(C(N)=O)cc2)c([N+](=O)[O-])cc1OC 95968 IABLBODMMPNJCJ-GIJQJNRQSA-N 329.312 2.462 30 40 EEEB CCOC(=O)c1nn(Cc2cccc(C#N)c2)c(=O)c2ccccc12 12410664 UJSMVUCDJPUFMQ-UHFFFAOYSA-N 333.347 2.493 30 40 EEEB C=CCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 812618 SDVMTUMPZOGWHT-UHFFFAOYSA-N 328.397 2.069 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N[C@H]1COc2ccccc2C1 53044596 QDMAPZGKJZAFSA-OAHLLOKOSA-N 338.363 2.066 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100386541 TTZLOJRHGLDNSU-KKTSLMHWSA-N 336.391 2.472 30 40 EEEB Cn1nccc1C1CCN(CC(=O)Nc2sccc2C#N)CC1 58326260 UPVAWKDKUKQBGL-UHFFFAOYSA-N 329.429 2.171 30 40 EEEB C#CCOc1c(CC=C)cc(C=C(C(=O)OC)C(=O)OC)cc1OC 409067101 NTHINKRVNRXOBU-UHFFFAOYSA-N 344.363 2.165 30 40 EEEB CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1COc2ccccc21 97053877 IPRFBKNYNGTWPY-SCLBCKFNSA-N 330.384 2.498 30 40 EEEB CN(CCCc1n[nH]c(N)c1C#N)c1nc2c(cc1C#N)CCCC2 95349011 TYKVETJLRDALIV-UHFFFAOYSA-N 335.415 2.078 30 40 EEEB c1cnc(N2CCOCC2)c(CN/C(=N/C2CC2)NC2CCCC2)c1 95948137 SUKIIQYTRKVNDF-UHFFFAOYSA-N 343.475 2.058 30 40 EEEB C#CCN1CCC(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 74610478 JPBKTVSKAPOEJL-ZDUSSCGKSA-N 348.418 2.365 30 40 EEEB NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1F 49546316 FTTCASQXWFENDP-HNNXBMFYSA-N 326.331 2.143 30 40 EEEB C=CCN(Cc1csc(-c2ccccn2)n1)[C@H]1CCS(=O)(=O)C1 96443334 BZKRKDCFEHVIPY-AWEZNQCLSA-N 349.481 2.380 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N1CC[C@@H](c2ccc(OC)cc2)C1 97227579 ZDGWKDCYHUZNQQ-OAHLLOKOSA-N 343.431 2.342 30 40 EEEB C[C@H](C#N)CN(C)c1nc2c(N(C)C[C@H](C)C#N)ncnc2s1 585092805 OMSQJGPWZPKCKI-GHMZBOCLSA-N 329.433 2.278 30 40 EEEB C=C(C)C[C@H](NC(C)=O)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 585141980 KIJXZRRCTWKWOO-AWEZNQCLSA-N 334.807 2.303 30 40 EEEB O=S(=O)(/N=C(\O)c1csc(-c2ccco2)n1)N1CCCCC1 52794615 MBMMWPSUKMCLPG-UHFFFAOYSA-N 341.414 2.438 30 40 EEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58294870 ZHDKKYBBTBZBPL-GOSISDBHSA-N 347.390 2.017 30 40 EEEB CCCS(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 199953108 WDAKVRIFOFZSFK-UHFFFAOYSA-N 343.229 2.277 30 40 EEEB C/C(=N\N=C1/NC(=O)[C@H](CC(=O)O)S1)c1ccc(OC(C)C)cc1 12651122 AJUFRNLOQAHIQY-SGPNVBEDSA-N 349.412 2.260 30 40 EEEB CC(C)Cn1nnnc1S[C@@H](C)C(=O)NC1(C#N)CCCCC1 30397314 IGBLLGIQDOCSEG-LBPRGKRZSA-N 336.465 2.152 30 40 EEEB COCCn1c(C(=O)[C@H](C#N)C(=O)N2CCCC2)cc2ccccc21 101372434 XJXSPZRALGBDCS-HNNXBMFYSA-N 339.395 2.233 30 40 EEEB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1C#N 7248198 DMPGEVRWMDVGGG-AWEZNQCLSA-N 344.392 2.019 30 40 EEEB COCCN(Cc1cccs1)S(=O)(=O)c1ccccc1C#N 24366657 CZLZDOYTPSETJT-UHFFFAOYSA-N 336.438 2.457 30 40 EEEB CC(C)c1noc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)n1 58248957 VJJHZODAYYXTLL-QGZVFWFLSA-N 339.355 2.032 30 40 EEEB CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCN(C)CC1 12793971 GOGPKICZQURWLM-QGZVFWFLSA-N 331.420 2.150 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1OC 4017142 UFQLYRJRFJRZLU-OAHLLOKOSA-N 332.356 2.061 30 40 EEEB N#Cc1cccc(COC(=O)C[C@H](NC(N)=O)c2cccs2)c1 14412655 ZCHGDMZSDCWLCW-ZDUSSCGKSA-N 329.381 2.463 30 40 EEEB CCn1ccnc1CN1CCCN(C(=O)c2cccc(C#N)c2)CC1 69770224 ARCMZLCKJULQED-UHFFFAOYSA-N 337.427 2.123 30 40 EEEB Cn1cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 97113154 UUJVIOPCISXVSV-UHFFFAOYSA-N 334.184 2.420 30 40 EEEB COC[C@H](C)S(=O)(=O)/N=C(\O)c1csc(-c2ccoc2)n1 73838776 RYDTUUVDZQOLQP-QMMMGPOBSA-N 330.387 2.072 30 40 EEEB N#Cc1ccccc1OC[C@H](O)CNC[C@@H](CCO)c1ccccc1 600741273 DEGQZCJNIJARHU-RTBURBONSA-N 340.423 2.054 30 40 EEEB C=C(C)CN(Cc1ccccc1)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 585141152 QOUZOZDCQYFORH-IAGOWNOFSA-N 326.400 2.192 30 40 EEEB COc1cc(C#N)ccc1OS(=O)(=O)c1ccc2c(c1)OCCO2 16084349 MDQYQFFWXLDSEO-UHFFFAOYSA-N 347.348 2.106 30 40 EEEB CC1(C)OB(c2ccc(CN3CCOCC3)c(Cl)c2)OC1(C)C 201294400 SZTDYTJTGLKCHX-UHFFFAOYSA-N 337.656 2.471 30 40 EEEB N#Cc1c(F)cccc1NCCNC(=O)Cc1ccccc1[N+](=O)[O-] 47332710 KPGPSCXRLLFAKI-UHFFFAOYSA-N 342.330 2.376 30 40 EEEB N#Cc1ccc(CN2CCN(C(=O)CCc3nccs3)CC2)cc1 55091373 AAVCLUMEUDUYGP-UHFFFAOYSA-N 340.452 2.292 30 40 EEEB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1OC 3219454 PWGHOGHOQXLYCY-UHFFFAOYSA-N 340.335 2.371 30 40 EEEB CNC(=S)N/N=C(C)/C=N/Nc1ccc(Br)cc1 104191910 FVARYXUILIRAMV-IROCBMIISA-N 328.239 2.317 30 40 EEEB N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1 58159164 XQNOEKHLIGKWHN-UHFFFAOYSA-N 336.395 2.025 30 40 EEEB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 3424281 PTJICZVDUMFTMH-SFHVURJKSA-N 342.399 2.243 30 40 EEEB Cn1c([C@@H](C#N)C(=O)c2n[nH]c(=O)c3ccccc23)nc2ccccc21 6650423 BKTNXPSHGUHDQW-ZDUSSCGKSA-N 343.346 2.300 30 40 EEEB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)cn1 71841374 WGGQKTNJCNHYML-MOPGFXCFSA-N 349.438 2.134 30 40 EEEB Cn1cccc1/C(O)=N/S(=O)(=O)c1cnn(-c2ccccc2F)c1 78949034 DVFNURNWGXNHSZ-UHFFFAOYSA-N 348.359 2.043 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC(=O)c2ccccc21 95996947 NZZNEKOZAGLEAI-OAHLLOKOSA-N 326.377 2.473 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)c2occc2Br)CC1 81728969 DBLRSIAXIQHURG-GFCCVEGCSA-N 340.221 2.348 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccncc4)C3)C2)n1 96047684 UTBCJBAQCXVQNV-IEBWSBKVSA-N 335.411 2.194 30 40 EEEB C#CCOC[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2F)C1 49031856 DEKDNSSFNBNJLB-LBPRGKRZSA-N 329.368 2.015 30 40 EEEB N#Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1 20477947 YHOUVOILWHNSSV-UHFFFAOYSA-N 334.364 2.456 30 40 EEEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4O)cnc3c2c1 500542 JMKLNOBUBJUJRW-AWQFTUOYSA-N 334.335 2.474 30 40 EEEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 101329411 KKHJGBIRUSYQPY-DHSIGJKJSA-N 346.358 2.039 30 40 EEEB C[C@H](/N=C(\S)NCCCN1CCOCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 101527792 RCRSUUKSJLBIGR-ZJIFWQFVSA-N 325.522 2.409 30 40 EEEB CC[C@@H](C#N)S(=O)(=O)N(C)[C@H](c1ccc(F)cc1)c1ncccn1 108134334 LKONXBIIFJRICU-LSDHHAIUSA-N 348.403 2.269 30 40 EEEB Cc1ncc(CO/N=C(/N)c2ccc(CN3CCOCC3)cc2)s1 65610565 LLTNHIJBHVJLNB-UHFFFAOYSA-N 346.456 2.121 30 40 EEEB N#C[C@H](NC(=O)CS(=O)(=O)C1CCCC1)c1ccc(F)cc1F 68416361 LRHCYCUDRGEKLH-AWEZNQCLSA-N 342.367 2.003 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(CC(=O)O)c1 76021659 YZARLTUVEHTOJS-UHFFFAOYSA-N 330.365 2.295 30 40 EEEB C#CCN(Cc1ccco1)C(=O)c1cnc(-c2cnn(C)c2)s1 71899760 LTRXERAGVNBKHF-UHFFFAOYSA-N 326.381 2.412 30 40 EEEB CC[C@@H](C#N)S(=O)(=O)NCc1cc(F)cc(Br)c1 95439621 UZAJDFQHZMSSBC-NSHDSACASA-N 335.198 2.310 30 40 EEEB N/C(=N/Cc1c(F)cccc1F)N1CCN(c2nccs2)CC1 95966464 JENJLIWGFBTAOO-UHFFFAOYSA-N 337.399 2.058 30 40 EEEB CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 408586439 CCCVOWYDVDEWTM-VOXQFWPCSA-N 336.391 2.472 30 40 EEEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc(F)cc2)[C@H]1SC 62716315 SLUXFHXXDJCCHF-MRXNPFEDSA-N 337.372 2.331 30 40 EEEB Cc1cccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)n1 75180746 ZYZVVCOWHGKQIB-UHFFFAOYSA-N 336.395 2.475 30 40 EEEB C[C@H](c1cccc(C#N)c1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 187714950 JWBZWGZLLDIQQK-PBHICJAKSA-N 333.457 2.119 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(\O)c2ccc(-n3cccc3)c(F)c2)cn1 78445770 MFDCYXDFTPVDEW-UHFFFAOYSA-N 348.359 2.043 30 40 EEEB CC1(C)[C@@H](C#N)[C@]1(C#N)C(=O)Nc1ccc(CN2CCOC2=O)cc1 585135620 STFFUXIUFUPBMJ-RDTXWAMCSA-N 338.367 2.267 30 40 EEEB O=C1C=CC(=NOS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C=C1 5555493 HYVOVGNCTYOWAQ-UHFFFAOYSA-N 342.716 2.005 30 40 EEEB CC(=O)/C(=C/NC(=S)c1ccncc1)C(=O)Nc1ccccc1 1637491 XOVLKWDHMHSRDA-PTNGSMBKSA-N 325.393 2.458 30 40 EEEB COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3ccccc3O)C2=O)cc1 3579552 SKOXRUCSUOSRBH-HDAJJNEKSA-N 339.351 2.202 30 40 EEEB N#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)c(F)c1 1889125135 GRRGQWMCJYXLII-MRXNPFEDSA-N 347.459 2.485 30 40 EEEB N#Cc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1Cl 40528129 RHLLNIPXNQDLCX-LLVKDONJSA-N 340.832 2.401 30 40 EEEB Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc(N2CCCC2)c(F)c1 101916701 CEYCNBBMXBRFOO-CYBMUJFWSA-N 340.358 2.365 30 40 EEEB CC(=O)C1=C(O)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 6419531 OACSUKAIVHQATB-IXDOHACOSA-N 333.340 2.439 30 40 EEEB C=CCNC(=O)[C@@H](C#N)C(=O)c1cccc(Cn2nc(C)cc2C)c1 103747417 FPNMJOHMHMKJCC-KRWDZBQOSA-N 336.395 2.173 30 40 EEEB N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1 24701368 XILWRQRCJNXMRU-UHFFFAOYSA-N 334.379 2.444 30 40 EEEB CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1O 108169684 FWCAQZUABPVUJS-UKRRQHHQSA-N 340.420 2.115 30 40 EEEB C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(C)c(C(N)=O)c1 58292564 MIPGDPHWQVCODX-UHFFFAOYSA-N 334.441 2.051 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)Cn1nnc(-c2cc3ccccc3o2)n1 69570814 GJYSFWOSNSICJE-QGZVFWFLSA-N 338.371 2.141 30 40 EEEB CCOC(=O)CC(=O)C[n+]1cc(-c2ccc(C)cc2)n2c1CCC2 6463413 XETUMTUPQLQDNS-UHFFFAOYSA-N 327.404 2.220 30 40 EEEB C=C(C)CN1CCN(C[C@H](O)Cn2cc(C=O)c3ccccc32)CC1 19891691 OZDKIMFNGGSLPQ-SFHVURJKSA-N 341.455 2.008 30 40 EEEB COCCN1CCC[C@@H]1C/N=C(/N)Nc1ccc(F)c(Cl)c1 71847275 VZYMDNMAAHDMGZ-GFCCVEGCSA-N 328.819 2.317 30 40 EEEB CN1C(=O)CC[C@@H](C(=O)NCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 83877221 JRNFPAOSMPXYNS-OCCSQVGLSA-N 339.317 2.255 30 40 EEEB CC(C)c1nc([C@@H]2CCCN(C(=O)c3ccc(C#N)cn3)C2)no1 72271437 CKIRXEHFWQWTLF-CYBMUJFWSA-N 325.372 2.479 30 40 EEEB CS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C#N)cc1F 75147601 YHMRUNUZXJUICK-UHFFFAOYSA-N 348.355 2.118 30 40 EEEB CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(CC(F)(F)F)C1=O 79028273 MHBBOHQSAYHIRN-LBPRGKRZSA-N 340.305 2.185 30 40 EEEB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 44866629 BJPHTYARZAKEJM-ZFWWWQNUSA-N 330.384 2.127 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)C#Cc2ccccc2)C1 97372231 ICRIWEODFHBCAB-INIZCTEOSA-N 328.412 2.411 30 40 EEEB C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCCNc1ncccc1C#N 96407501 HUUOJTJSPLEEQA-IJEWVQPXSA-N 330.432 2.465 30 40 EEEB N#Cc1ccc(CN2CC3(CC(=O)N(Cc4ccccc4)O3)C2)cc1 1549161662 IPIBTNRCIPMNRA-UHFFFAOYSA-N 333.391 2.477 30 40 EEEB CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1COc2ccccc21 97053861 IPRFBKNYNGTWPY-ACJLOTCBSA-N 330.384 2.498 30 40 EEEB C=CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908703 KKHJGBIRUSYQPY-DDUZABMNSA-N 346.358 2.039 30 40 EEEB COc1cc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)ccc1O 6302938 CCQQWDZIPROAQA-ZDUSSCGKSA-N 331.349 2.328 30 40 EEEB Cc1nccc(CNC(=O)NCCSCc2ccccc2C#N)n1 56472894 IOMJMEDCQMGKSD-UHFFFAOYSA-N 341.440 2.389 30 40 EEEB COc1ccc(C(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)cn1 57234798 OCLIXMBWFBZPIC-KRWDZBQOSA-N 342.443 2.320 30 40 EEEB Cc1n[nH]c(SC/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 44980483 GXHGASZQITZRFJ-UUILKARUSA-N 337.321 2.120 30 40 EEEB N#CCOC(=O)CCC[S@@](=O)c1ccc(Br)cc1 69974337 YWFNRKCXFXNFDL-SFHVURJKSA-N 330.203 2.404 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1C1OCCO1 69484419 SFLMSGUAAZNRSG-UKRRQHHQSA-N 330.384 2.080 30 40 EEEB Cc1cn2nc(N3CC[C@H](CNc4ncccc4C#N)C3)sc2n1 65492349 PYFHZGWIMTYRKE-GFCCVEGCSA-N 339.428 2.304 30 40 EEEB COc1ccc(CNC(=O)CSc2ncccc2C#N)cc1OC 7051758 PHQOERFBVQVSPA-UHFFFAOYSA-N 343.408 2.379 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 96483769 HZVLRTAYUJCCFD-UHFFFAOYSA-N 325.372 2.395 30 40 EEEB CO/N=C/C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 585126605 CWYXGTLCPCVPRT-LZYBPNLTSA-N 347.331 2.014 30 40 EEEB CC(C)(C)[C@@H](C(=O)O)C(=O)N1CC[C@@H](Nc2cccc(C#N)c2)C1 1615555569 UUTNMBSXKUFBKG-HUUCEWRRSA-N 329.400 2.318 30 40 EEEB C=CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2ccccn2c1=O 69351876 ICDDTLNHNDLEBP-UHFFFAOYSA-N 344.374 2.395 30 40 EEEB N#Cc1ccsc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 52035931 DOZOQAGKMUQBEY-UHFFFAOYSA-N 327.413 2.177 30 40 EEEB CC(C)(CO)NC[C@@H](O)CON=C1c2ccccc2-c2ccccc21 2707481 AJOYMMGQJQLABI-CQSZACIVSA-N 340.423 2.157 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc([N+](=O)[O-])cc1 12349080 MIECPVAJXRZYAC-CQSZACIVSA-N 340.343 2.239 30 40 EEEB C/N=C(/NCc1ccn(-c2ccc(OC)cc2)n1)NCc1ccco1 97001109 FSMABUQRPGBRJH-UHFFFAOYSA-N 339.399 2.339 30 40 EEEB C=CCN(C(=O)c1ccc(-n2cccc2)cc1)[C@@H]1CCS(=O)(=O)C1 58222756 OQZKVMOHGFXWCE-QGZVFWFLSA-N 344.436 2.293 30 40 EEEB COC(=O)[C@H](C)CN(CC(=O)N(C)C(C)(C)C#N)Cc1ccccc1 58394351 DWDDDSGHCNUMRN-OAHLLOKOSA-N 345.443 2.058 30 40 EEEB C#CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccsc1 20503938 IYIDYUMTPGQBJD-YQQAZPJKSA-N 346.500 2.145 30 40 EEEB biogenic,in-vitro CC1CCN(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)CC1 13097989 SMWQBDUEIUZVEP-GOSISDBHSA-N 326.400 2.015 30 40 EEEB Cc1ccc(OC[C@@H](C)NC(=O)CN(C)c2ccc(C#N)cn2)cc1 65626285 QKPWMTMILOXIOJ-OAHLLOKOSA-N 338.411 2.282 30 40 EEEB C[C@@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccc(C#N)c1 81500958 FMJSKXSIAVPHOC-QMTHXVAHSA-N 327.306 2.328 30 40 EEEB CC(=O)c1cc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)ccc1Cl 95995674 PMYFCSFYOSLRBA-UHFFFAOYSA-N 338.776 2.247 30 40 EEEB C=CCN(CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 89893961 ZOTAPADMVPCJRE-CQSZACIVSA-N 329.849 2.394 30 40 EEEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)c1cc(F)c(F)c(F)c1 78411453 MYRKDMJAGQWKBX-SECBINFHSA-N 337.319 2.307 30 40 EEEB Cn1cc(C2CCN(/C(O)=N/C[C@H]3CCCn4ccnc43)CC2)cn1 329981930 OFOAQAVVKLHXHJ-OAHLLOKOSA-N 342.447 2.288 30 40 EEEB N#Cc1ccsc1NC(=O)CN1CCO[C@H](c2nccs2)C1 97203939 HGYIBUZIAAKNJH-NSHDSACASA-N 334.426 2.088 30 40 EEEB CC/N=C(/NCCc1nc(C)cs1)NCc1cccc(N(C)C)n1 96484704 IKJPFEQLNAUTRB-UHFFFAOYSA-N 346.504 2.210 30 40 EEEB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1ccc(C#N)cc1 245287230 BOVOZMYZZLITSB-CWLKWCNXSA-N 326.396 2.195 30 40 EEEB COCCN(CCC#N)S(=O)(=O)c1ccc(C(F)(F)F)cc1 69841991 AGDAVBYSUZADEC-UHFFFAOYSA-N 336.335 2.256 30 40 EEEB CS[C@H](C)C(=O)NCCCc1nn2c(C)cc(C)nc2c1C#N 52802186 SYWVDUAXFYRYQU-GFCCVEGCSA-N 331.445 2.018 30 40 EEEB CN(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C1(C#N)CCC1 58293354 ZTDZWSYTLQRWNJ-UHFFFAOYSA-N 328.340 2.201 30 40 EEEB N#Cc1c(N)nc2nc(N3CCCCC3)[nH]c(=O)c2c1-c1ccccc1 22607260 AZSWFWKVPZUGOD-UHFFFAOYSA-N 346.394 2.429 30 40 EEEB N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccccn2)ccc1F 69776345 CUCLBECDNBQSIK-INIZCTEOSA-N 338.342 2.395 30 40 EEEB C#CCSCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 253370057 LMSTZSNNAYXSEG-OAGGEKHMSA-N 344.484 2.097 30 40 EEEB CN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc(CC#N)c1 619463771 AOVOEGGQMPUHDL-UHFFFAOYSA-N 330.365 2.276 30 40 EEEB COc1ccc(NC(=O)[C@H](C)O/N=C(\N)c2ccccc2)cc1OC 15365498 SDTVNSWHCNGJLF-LBPRGKRZSA-N 343.383 2.368 30 40 EEEB CC[C@H](Sc1nnc(C)c(O)n1)C(=O)Nc1ccccc1C#N 18179403 NQEXFSHQOGRPRG-LBPRGKRZSA-N 329.385 2.267 30 40 EEEB N#Cc1ccsc1NC(=O)CN1CCCC[C@@H]1Cn1cccn1 69950068 LDIYUEGOXLTVIQ-CQSZACIVSA-N 329.429 2.309 30 40 EEEB COc1ccc(/C=N/NC(N)=S)cc1OC(=O)c1ccccc1 8828966 AMJALWSLNUODKC-VCHYOVAHSA-N 329.381 2.082 30 40 EEEB CC(C)c1nnc2n1C[C@H](NC(=O)CCc1ccc(C#N)cc1)CC2 65512282 DCSDGXOXMBTZCT-MRXNPFEDSA-N 337.427 2.337 30 40 EEEB COC[C@H](C)n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O 14165159 JXIBCKYTXRLEQK-LBPRGKRZSA-N 326.352 2.172 30 40 EEEB COc1cc([C@@H](C#N)NC(=O)c2cccnc2)cc(OC)c1OC 67701472 FCNMBJCVNAEGFJ-CYBMUJFWSA-N 327.340 2.102 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](N2CCCC2)C1 69420907 JYXVSKWVWZIVFT-NVXWUHKLSA-N 327.428 2.412 30 40 EEEB CCNC(=O)c1ccc(NC(=O)N(CCC#N)CCCN(C)C)cc1 72314448 GKDSRUULYUIXMF-UHFFFAOYSA-N 345.447 2.136 30 40 EEEB CSc1nc(C2CC2)cc(C(=O)O[C@@H](C)C(=O)N(C)C)c1C#N 32850663 GLHPPECKIFJNFW-VIFPVBQESA-N 333.413 2.186 30 40 EEEB N#Cc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1 216780575 CZVGJNBDXALIMG-SFHVURJKSA-N 335.367 2.322 30 40 EEEB COc1cc(OC)cc(N2CC[C@@H](C/N=C(/N)N3CCCCC3)C2)c1 89121024 XVPVXWGTSOTBSC-HNNXBMFYSA-N 346.475 2.331 30 40 EEEB COC[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1c1cnn(C)c1 585655536 LVFHOYLMYKYGMO-WMZOPIPTSA-N 328.391 2.293 30 40 EEEB Cc1n(CCO)c([N+](=O)[O-])c[n+]1[C@H](C)C(=O)c1ccc(Cl)cc1 11566403 WPGNMTRQAXVQPE-SNVBAGLBSA-N 338.771 2.082 30 40 EEEB CSc1ncc(C#N)c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 2298171380 WGCVNZZWYQPVRD-GFCCVEGCSA-N 333.461 2.201 30 40 EEEB C=CCc1cc(CNC(=O)CCOCCOC)cc(OC)c1OC 50525162 BQSLUCNGKGJRFL-UHFFFAOYSA-N 337.416 2.102 30 40 EEEB CNS(=O)(=O)c1cc(C(=O)N(CC#N)C2CCCC2)cc(C)c1C 72291736 CSRBCHNJSRCXEF-UHFFFAOYSA-N 349.456 2.120 30 40 EEEB C=CCN(Cc1nnc(C)n1C)S(=O)(=O)c1cccc(Cl)c1 97114830 LCSXEBCKXNDLBP-UHFFFAOYSA-N 340.836 2.154 30 40 EEEB C[C@@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C#N)C1 6409621 ZBEVYICBWGPXSJ-SSDOTTSWSA-N 348.457 2.176 30 40 EEEB CC(C)c1nc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cs1 71880107 MCBIXLSJGUYMNJ-UHFFFAOYSA-N 328.397 2.393 30 40 EEEB C=CCN/C(=N/[C@H](C)[C@@H]1CCCO1)NC[C@H](O)c1ccc(OC)cc1 75583369 BHVMGCNTLWECGK-JLSDUUJJSA-N 347.459 2.017 30 40 EEEB COc1cc(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)c1O 409355309 CJSBSQIUUWKCCL-UHFFFAOYSA-N 345.742 2.352 30 40 EEEB CN(CCc1nccs1)C(=O)C1CN(c2ccccc2C#N)C1 521395353 PMUKQCBWNWGRFR-UHFFFAOYSA-N 326.425 2.152 30 40 EEEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@]1(C)O 239331271 KKHJGBIRUSYQPY-XUWXXGDYSA-N 346.358 2.039 30 40 EEEB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nc(N)c(C#N)cc2C#N)C1 60582927 JOWPFQBOMIEUKX-TUAOUCFPSA-N 343.456 2.392 30 40 EEEB CCc1nnsc1C(=O)N1CCCN(c2ccccc2C#N)CC1 47138801 XLAJOLBLDQHXAO-UHFFFAOYSA-N 341.440 2.325 30 40 EEEB C/C(=C\C(=O)[C@@H](C#N)C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 103682075 WDVKFNLOEGZCRE-HUXQLNKYSA-N 330.359 2.233 30 40 EEEB N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 47359324 LTNKDHZHZXSYBY-GXTWGEPZSA-N 348.362 2.381 30 40 EEEB COc1cc(C(=O)/C=C/c2ncc[nH]2)ccc1S(=O)(=O)C(F)F 72273347 ZHKZXTJEMQSZNC-HWKANZROSA-N 342.323 2.311 30 40 EEEB C=CCNC(=O)CN1CCO[C@@H](c2cccc(Br)c2)C1 58178957 WKVLVCTVKDRZAQ-CQSZACIVSA-N 339.233 2.125 30 40 EEEB N#Cc1ccccc1OCC(=O)NCc1ccccc1Cn1cccn1 10235014 MNGASFAUOPOKPT-UHFFFAOYSA-N 346.390 2.498 30 40 EEEB C=CCn1c(SCC(=O)NC(=O)NC)nnc1C1CCCCC1 3485617 MWSLFYGULOFLQE-UHFFFAOYSA-N 337.449 2.060 30 40 EEEB C[C@H]1Oc2c(cccc2C(=O)[C@H](C#N)c2ccc(F)cn2)NC1=O 80436330 FBNBTRYCMNSSQR-BXKDBHETSA-N 325.299 2.430 30 40 EEEB COc1cccc([C@H](O)C(=O)N[C@H](C#N)c2ccc(F)cc2F)c1 95979329 LWQJBBYMNLUUOV-CVEARBPZSA-N 332.306 2.388 30 40 EEEB C=C1CC(C)(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)C1 585132490 YDGIAFPNJZOCRJ-UHFFFAOYSA-N 328.412 2.336 30 40 EEEB CCOc1ccc2c(c1)[C@@H](NC(=O)C#C[C@H]1CCCOC1)CCO2 1615591288 UCEPYUIGZIPJRT-PBHICJAKSA-N 329.396 2.455 30 40 EEEB N#Cc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 12867481 GAHXKHUCGOHJNJ-UHFFFAOYSA-N 333.347 2.460 30 40 EEEB CC(=O)NC1=C(N2CCc3ccccc3C2)C(=O)c2ccccc2C1=O 4601689 UTOBULXPJLZFJE-UHFFFAOYSA-N 346.386 2.472 30 40 EEEB CC(=O)/C(=N\Nc1ccc(Br)cc1)N1CCOCC1 101634726 WIVRFIVOQWZMAW-DTQAZKPQSA-N 326.194 2.096 30 40 EEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccccc2)C1=O 20820028 CVSPIINGVBSDOA-LJQANCHMSA-N 335.363 2.404 30 40 EEEB COc1cccc(C2=C(C(C)=O)Sc3nnc(C)n3N2C(C)=O)c1 4518348 SUMRRZNMIRDCBG-UHFFFAOYSA-N 344.396 2.143 30 40 EEEB CC(C)c1cnc(CN(C)[C@H]2CCN(CCn3cc(C#N)cn3)C2)o1 76047854 CTTHPKLLWVMYNR-INIZCTEOSA-N 342.447 2.072 30 40 EEEB CCn1nc(C)c(CNC(=O)NCCOc2ccc(C#N)cc2)c1C 76086780 PBKANJJSDUSTSG-UHFFFAOYSA-N 341.415 2.270 30 40 EEEB Cc1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1CCCC2 12324577 UDVGTMMMTYOVFM-UHFFFAOYSA-N 325.368 2.429 30 40 EEEB COCCn1nnnc1[C@@H](c1cccc(C#N)c1)N1CCCCCC1 57710792 XPEOBSKJHMFQSK-QGZVFWFLSA-N 340.431 2.157 30 40 EEEB C#Cc1cccc(NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1 72230593 UAKOEGRUBRIREW-GDBMZVCRSA-N 343.427 2.063 30 40 EEEB C[C@H](C#N)CSc1ccccc1NC(=O)CN1CSCC1=O 65453477 JTWKUVQPYPKUED-LLVKDONJSA-N 335.454 2.410 30 40 EEEB C=CCN(CC=C)C(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408976389 QYOHKQGNAUWBPM-UHFFFAOYSA-N 348.362 2.091 30 40 EEEB CC[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 69444086 BBCMPKABDAZHQR-AWEZNQCLSA-N 349.456 2.059 30 40 EEEB CO[C@H](C)c1nc(C/N=C(/O)N[C@@H]2CCc3c[nH]nc3C2)cs1 329829149 JRQQYRDDYQTFGP-MWLCHTKSSA-N 335.433 2.135 30 40 EEEB CCc1ccccc1NC(=O)Cn1cc2c(c(C#N)c1=O)CCCC2=O 585122929 JNRWLDOOXVZIIR-UHFFFAOYSA-N 349.390 2.440 30 40 EEEB N#Cc1cccc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)n1 2298049581 BKUHLQTYUPECIB-UHFFFAOYSA-N 348.410 2.023 30 40 EEEB COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(C(F)(F)F)cc1 103502791 ZHRGOPVAKGYQCX-GFCCVEGCSA-N 328.290 2.181 30 40 EEEB C=CCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21 5685800 SGXURYVEQOSOED-UHFFFAOYSA-N 335.363 2.218 30 40 EEEB COC(=O)[C@@H](NCc1cccc(-c2nc[nH]n2)c1)c1cccc(C#N)c1 83031690 VAFOUKQTBYFCCR-KRWDZBQOSA-N 347.378 2.347 30 40 EEEB C=CCSCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 69484017 AARVBIUCQMATPH-AWEZNQCLSA-N 337.420 2.467 30 40 EEEB CN(C[C@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1C#N 71900394 AMDYYBYQPBNGCX-KRWDZBQOSA-N 341.367 2.480 30 40 EEEB N#Cc1c(Cl)nsc1NC[C@H](O)CN1CCc2ccccc2C1 89861150 KJOFSEHUTGZYKB-ZDUSSCGKSA-N 348.859 2.499 30 40 EEEB CCS[C@@H]1C(C(=O)c2ccc(OC)cc2)=C(CC(=O)O)C(=O)N1C 62716267 GRWWISWDHABUCC-QGZVFWFLSA-N 349.408 2.200 30 40 EEEB COc1ccc(/C=N\N/C(S)=N/[C@@H]2CN3CCC2CC3)cc1OC 35404451 NGOICTBZSSOOAK-FNHQQPGVSA-N 348.472 2.007 30 40 EEEB Cc1cccc(N(CCC#N)C(=O)Cn2cnc(C#N)c2C#N)c1C 126114510 PMWFTBNYNPIIES-UHFFFAOYSA-N 332.367 2.190 30 40 EEEB N#Cc1ccc(S(=O)(=O)CCn2cc(-n3cccc3)cn2)cc1 95438870 YLQYSNMAQOWDHV-UHFFFAOYSA-N 326.381 2.019 30 40 EEEB CC(C)Cc1n[nH]c(/N=C(\O)COc2cccc(-n3cnnc3)c2)n1 95475377 IERFMDZTTMNISV-UHFFFAOYSA-N 341.375 2.251 30 40 EEEB N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccsc2)CC1 14136845 NBZLTLLQPYLMFX-UHFFFAOYSA-N 347.465 2.126 30 40 EEEB CN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1nccs1 40516309 DHRPCFSSNJOQGD-UHFFFAOYSA-N 327.413 2.289 30 40 EEEB CC/N=C(/NCc1ncccc1C)N[C@H]1CCN(C2CCCC2)C1 97013646 VRAQNGBUDRPIEJ-INIZCTEOSA-N 329.492 2.462 30 40 EEEB C#CCN1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)CC1 96426508 ZBXDCTTVNRKFSC-UHFFFAOYSA-N 345.418 2.201 30 40 EEEB Cc1cc(N2CCC[C@@H](OC(=O)c3cc(C#N)cn3C)C2)nc(C)n1 83769121 DIBGMDSHBRWRAA-OAHLLOKOSA-N 339.399 2.129 30 40 EEEB Cc1cc(O)cc(=O)n1CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 84083476 RDIZEWVIRAALDG-GFCCVEGCSA-N 331.397 2.319 30 40 EEEB C#CCOc1ccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cc1 95939738 WYKJHIPRPQLKRP-QZTJIDSGSA-N 344.480 2.350 30 40 EEEB C=CCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(OC)c2)C1=O 409075505 RDPJXJSFEUOIFW-MDWZMJQESA-N 349.364 2.381 30 40 EEEB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(CC#N)cc2)cc1 224688206 JPVWBRAULXWWCM-UHFFFAOYSA-N 344.392 2.341 30 40 EEEB N#Cc1ccc(Cn2ncc3c2C[C@H](O)CC3)c(Br)c1 332031138 VZMTZTFGNJTJKQ-CYBMUJFWSA-N 332.201 2.415 30 40 EEEB CCCNC(=O)c1c(/N=C/c2cccc(OC)c2OC)cnn1C 2797766 HXRIZZVLWJJAPD-VXLYETTFSA-N 330.388 2.328 30 40 EEEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2F)nc1N 21424350 PLPFIOOQXYRUCG-UHFFFAOYSA-N 345.334 2.416 30 40 EEEB COc1cccc(/C=C/C(=O)[C@H](C#N)C(=O)N2CCCCC2)c1OC 103502502 ZRKQNIWHTIGDOX-FEAKQIBJSA-N 342.395 2.438 30 40 EEEB OCc1nnc2n1CCN(Cc1cccc(C#Cc3ccccc3)c1)C2 57822924 SDMXGPNTZATWOM-UHFFFAOYSA-N 344.418 2.186 30 40 EEEB COc1cc(/C=N/Nc2ocnc2C#N)cc(Br)c1O 26770288 OKCQKKOKNNMNTD-FZSIALSZSA-N 337.133 2.469 30 40 EEEB N#Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 27989521 LHDZEHJUPWMLBW-UHFFFAOYSA-N 333.347 2.460 30 40 EEEB CCOCCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 69509599 XXFDZPWYPQSCJD-HNNXBMFYSA-N 347.440 2.215 30 40 EEEB C=CCc1cc(CNC(=O)c2cc(C)nn2C)cc(OC)c1OC 65063835 RNZJAOGVVQQJGS-UHFFFAOYSA-N 329.400 2.404 30 40 EEEB C#CCOc1ccccc1OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 78655606 UQJBJKIBIYTJCS-OAHLLOKOSA-N 327.380 2.253 30 40 EEEB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c(C)n1 84791193 GCJLEXFJOMZNRI-QGZVFWFLSA-N 337.379 2.166 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccc(F)cc1 408527338 MDBXEMUNIWAXDR-UOVKNHIHSA-N 343.358 2.411 30 40 EEEB C#CCOc1c(OCC)cc(I)cc1C(=O)O 225282510 RWFRQEYWMYXLIA-UHFFFAOYSA-N 346.120 2.400 30 40 EEEB C=CCN1C[C@@H]2CN(Cc3cccc(C#N)c3)CCC[C@]2(C(=O)O)C1 96064227 OMCUTDDCGWDTKC-ICSRJNTNSA-N 339.439 2.343 30 40 EEEB CC(C)(C)[C@H](C(=O)O)C(=O)N1CC[C@@H](Nc2cccc(C#N)c2)C1 1615555564 UUTNMBSXKUFBKG-CABCVRRESA-N 329.400 2.318 30 40 EEEB C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)C(=C)[C@@H]12 252504740 FDLLEBFMOIHMNM-NPNMTCQASA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2nccs2)CC1 10269777 PIBLEBBGLRYHGS-ZDUSSCGKSA-N 342.424 2.131 30 40 EEEB CSc1nc(C)c(C)c(N2CCN(c3cccc(C#N)n3)CC2)n1 1888859875 DAQFIHAOEQTQDQ-UHFFFAOYSA-N 340.456 2.409 30 40 EEEB N#CCN1CCN(C(=O)c2ccc(Cl)cc2Br)CC1 127318649 GKAHIGSXWSYHLY-UHFFFAOYSA-N 342.624 2.384 30 40 EEEB CCOC(=O)C1=NO[C@H](COc2ccc(Cl)cc2/C=N\O)C1 100916959 YBEXMVBQSQLANY-FQKZPNAISA-N 326.736 2.235 30 40 EEEB CCOc1cc(/C=N/NC(N)=S)cc(Br)c1OC 369880 GMDVMFQFGSRNOR-MKMNVTDBSA-N 332.223 2.024 30 40 EEEB CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C(N)=O)cc2)c1C 6570032 MQIQCKVKQLJWFQ-KEBDBYFISA-N 343.456 2.011 30 40 EEEB O=C(NO)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12583831 ZEHUOMYRTSBYOZ-UHFFFAOYSA-N 333.266 2.335 30 40 EEEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc([N+](=O)[O-])cc1 4716203 REEHKSYZWDRCPQ-AWEZNQCLSA-N 341.327 2.204 30 40 EEEB CCO[C@@H]1C[C@@H](O)C12CCN(c1nnc(CC)c(CC)c1C#N)CC2 95412080 PDAHWPAYOJDRQO-IAGOWNOFSA-N 344.459 2.229 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2cccc(C#N)c2)CC1 95984537 RQIRESDQPNYPSK-QGZVFWFLSA-N 342.468 2.343 30 40 EEEB C=CCN(Cc1cccs1)S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 230100885 GBLCBJQFKGXBHW-STQMWFEESA-N 330.475 2.090 30 40 EEEB COC1CN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)C1 253407966 WYILDKBMIMQKQU-UHFFFAOYSA-N 343.408 2.194 30 40 EEEB N#CCN(CC#N)C(=O)CCN1CCC[C@H]1Cc1cccc(F)c1 69534968 MKOAMWOBKVAXQK-KRWDZBQOSA-N 328.391 2.098 30 40 EEEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccccc3F)[C@@]12C#N 19857649 JLVQOIUVWRBVHK-FVQBIDKESA-N 328.347 2.040 30 40 EEEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)ccc1O 40287934 ZNPUQHKSUUOOKE-QGZVFWFLSA-N 336.351 2.491 30 40 EEEB Cc1cc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)no1 69704513 JBFWICTUBISAST-JTQLQIEISA-N 328.715 2.363 30 40 EEEB N#Cc1ccccc1OS(=O)(=O)c1ccc(N2CCCC2=O)cc1 21699005 LRAHCLHDQZSDLF-UHFFFAOYSA-N 342.376 2.453 30 40 EEEB NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2ccc(F)cc2)C1=O 100530554 YHSCNCCLXJILBK-XSFVSMFZSA-N 341.371 2.084 30 40 EEEB N#Cc1ncn(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)n1 25002886 NOJHEVRWIVYHBH-KRWDZBQOSA-N 331.379 2.250 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)NCC=C)cc1 56352837 AYJXMIQQZYKRGT-KRWDZBQOSA-N 340.427 2.420 30 40 EEEB C=CCN(C(=O)c1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 57237657 RBJVBSAIISLMGC-AWEZNQCLSA-N 330.409 2.050 30 40 EEEB Cc1ccccc1-c1noc(=O)n1CC(=O)Nc1sccc1C#N 58367840 ZDHIKDWZKKDTGJ-UHFFFAOYSA-N 340.364 2.384 30 40 EEEB Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1sccc1Br 119504858 PNCLVQBSYWZJIX-ZETCQYMHSA-N 338.186 2.449 30 40 EEEB CCc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1C#N 5238950 IGTGRUGNOGAILO-UHFFFAOYSA-N 332.360 2.074 30 40 EEEB CCc1nc([C@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)C2)no1 67885374 AUFUOYLJOMXRGX-ZDUSSCGKSA-N 325.372 2.227 30 40 EEEB N#Cc1ccc(CS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9322621 BGOIZFXKKWGRQO-UHFFFAOYSA-N 341.436 2.210 30 40 EEEB C/N=C1/S/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)N1C 408930374 WEPMHAAUOYFVBU-XEIHTPIFSA-N 337.357 2.144 30 40 EEEB Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1C 71819391 IPZJEQMZQNMJGC-CYBMUJFWSA-N 331.420 2.459 30 40 EEEB Cc1c(F)cc(S(=O)(=O)N(C)C2(C#N)CCC2)cc1[N+](=O)[O-] 97164910 OQOXCOIGSBWQJC-UHFFFAOYSA-N 327.337 2.109 30 40 EEEB C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(CO)C(=O)O[C@H]([C@@H]12)[C@@H]3O 34332671 RDUNXXWNAKBVER-AJHBJYRYSA-N 332.440 2.434 30 40 EEEB biogenic,in-vitro CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218337197 RTICLIAEWARKHG-YDHLFZDLSA-N 341.816 2.314 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C4CCOCC4)C3)CC2=O)cc1 96077459 OOSWRDHFGRRXQT-LJQANCHMSA-N 325.412 2.166 30 40 EEEB C=CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccnc1OC)C2 96039743 FPECYLSVAOETKQ-LPHOPBHVSA-N 346.427 2.304 30 40 EEEB N#C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1 96409514 ZXWLPFIBINWSHR-OAHLLOKOSA-N 327.771 2.451 30 40 EEEB COc1cccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c1 5514704 FVOJPGBCEIWGOS-UHFFFAOYSA-N 329.312 2.275 30 40 EEEB C=CCOc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(N)=O)cc1 6262104 SPHHOWLSFQWFJE-HOJAQTOUSA-N 344.455 2.405 30 40 EEEB biogenic CN(C)[C@@H](CNC(=O)COc1ccccc1C#N)c1cccc(F)c1 32732317 JMLVOUOQROPLLL-KRWDZBQOSA-N 341.386 2.495 30 40 EEEB Cc1sc(C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)N(C)C 6679565 AYIIOHBPOJAMOY-UHFFFAOYSA-N 349.437 2.431 30 40 EEEB C=C(Br)CNC(=O)c1ccccc1N1CCOCC1 69529721 BWVLUUVIAVIODK-UHFFFAOYSA-N 325.206 2.162 30 40 EEEB CCCN1C(=O)/C(=N\NS(=O)(=O)c2ccccc2)c2ccccc21 5430860 OFWILCPNFVTMOQ-VLGSPTGOSA-N 343.408 2.126 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnn1C(C)C 72314848 CXEKQNJRHLJAHF-UHFFFAOYSA-N 327.388 2.212 30 40 EEEB C#CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C(=O)NC3CC3)C2)cc1 83812707 BZQSJWSXBOJHQM-DOTOQJQBSA-N 340.423 2.266 30 40 EEEB C[C@@H](CC#N)N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 71909759 APQNJYMUPLDBGE-KRWDZBQOSA-N 328.460 2.349 30 40 EEEB CCOc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cnn(C)c2)cc1 78556429 UUVKEDRKTZBQTP-GJZGRUSLSA-N 349.412 2.268 30 40 EEEB N#CCC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 225623733 BJFGYKGLSDDAQE-UHFFFAOYSA-N 340.196 2.146 30 40 EEEB N#Cc1cccc(CN2Cc3nccn3C[C@H](CN3CCCC3=O)C2)c1 96188424 HUDNTDGNUOJTQE-GOSISDBHSA-N 349.438 2.009 30 40 EEEB N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCN3CC2CCOCC2)c1 96184462 JBOOSJFMSXVGNZ-RBUKOAKNSA-N 339.439 2.274 30 40 EEEB COC(=O)[C@H](Cc1ccc(O)c(O)c1)/N=C/c1ccc(N(C)C)cc1 16028158 KKSNBVREMNWMEH-DORSJAEJSA-N 342.395 2.367 30 40 EEEB CCc1ccc(S(=O)(=O)/N=C2/S[C@H](C)C(=O)N2CC)cc1 4538084 XXMRLQCZGWQGPZ-KDGRRTAISA-N 326.443 2.278 30 40 EEEB COC(CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1Cl)OC 813438 MNFNVJCLUCTKJY-CQSZACIVSA-N 339.775 2.243 30 40 EEEB N#Cc1c(CN2Cc3ccccc3C[C@H]2C(N)=O)cn2ccccc12 22201571 UMBFAZOVISUOEQ-IBGZPJMESA-N 330.391 2.223 30 40 EEEB C=CCn1c(SCCC(N)=O)nc2scc(C3CC3)c2c1=O 10201947 LWWOQIZACYNRNA-UHFFFAOYSA-N 335.454 2.489 30 40 EEEB Cc1ccc(CNC(=O)COC(=O)COc2ccc(C#N)cc2)cc1 3317969 KQSKAXYAPXHSLV-UHFFFAOYSA-N 338.363 2.105 30 40 EEEB Cc1ccc(/C=N/Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])s1 5019340 DORLDKKKYNOLGJ-VGOFMYFVSA-N 340.386 2.058 30 40 EEEB C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cncnc2C1 69704309 TVWXYTIZWVZTSC-AWEZNQCLSA-N 342.468 2.500 30 40 EEEB Cc1cc(N/N=C/c2ccc(O)cc2O)nc(-n2nc(C)cc2C)n1 4550634 IBIWUMVGOCJHSB-GIJQJNRQSA-N 338.371 2.445 30 40 EEEB COc1ccccc1NC(=O)C[C@@H]1S/C(=N\CC(C)C)NC1=O 6887629 ACBLSCLZEDAOHP-ZDUSSCGKSA-N 335.429 2.267 30 40 EEEB C#CCOCCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 93245440 PCVXDFRSIRGAMT-HUUCEWRRSA-N 341.329 2.380 30 40 EEEB Cc1ccc(NC(=O)[C@@H](C)O/N=C(/N)[C@H](C)n2ccnc2)c(F)c1 72286206 VKWOFHQPAPZIJP-NWDGAFQWSA-N 333.367 2.208 30 40 EEEB COc1ccc(Br)cc1CO/N=C(/N)c1cnccn1 84507293 MYJHZMPDCKCXAF-UHFFFAOYSA-N 337.177 2.085 30 40 EEEB C#C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCO1 521393979 OWTHZKRVALNESY-ZIAGYGMSSA-N 335.787 2.412 30 40 EEEB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 44866617 BJPHTYARZAKEJM-UKRRQHHQSA-N 330.384 2.127 30 40 EEEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cc(F)ccc1F 69282608 BUHVLUMCPVHSOT-KOLCDFICSA-N 349.355 2.194 30 40 EEEB O=C(C#Cc1ccccc1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 155196142 GIGNENODDXARDQ-UXHICEINSA-N 335.403 2.389 30 40 EEEB C=CCOC[C@@H]1CN(C)C(=O)[C@H]2CCN(C(=O)C3CC(C)C3)CC[C@@H]12 1565548756 JCYYBTHXGJNPMC-CNFALQKSSA-N 348.487 2.178 30 40 EEEB Cc1ccccc1[C@H](C)NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776401 KORAHWPEIUKOSJ-NSHDSACASA-N 342.424 2.228 30 40 EEEB N#Cc1ccc(N2CC[C@H](N3CCC(Cn4cccn4)CC3)C2=O)cc1 106184015 PQQYEERCFGEOJV-IBGZPJMESA-N 349.438 2.272 30 40 EEEB CC(C)CO[C@@H](C)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 55301147 MBZKTNZQJAZPSU-LBPRGKRZSA-N 327.388 2.326 30 40 EEEB CCc1nn(C[C@H](O)c2ccc(F)c(F)c2)c(=O)c(C#N)c1CC 69616925 DCASWQQXPWWHNI-INIZCTEOSA-N 333.338 2.252 30 40 EEEB COc1ccccc1/C=N/[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 4843826 JRMVBSAREKNUEF-HDTNKEAMSA-N 330.340 2.117 30 40 EEEB COc1cc2c(cc1OC)[C@@]13C[C@H](OC)C=C[C@@]14O[C@H]4CN3CCC2 15217671 JCKPCZAYDZJZIL-DPZWOIPNSA-N 343.423 2.273 30 40 EEEB biogenic,in-vitro Cc1cc(N2CCC(NC(N)=O)CC2)n2c(nc3ccccc32)c1C#N 72312248 YGFVLSPAMRSAAA-UHFFFAOYSA-N 348.410 2.305 30 40 EEEB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)n1 610247834 SYEKAUZQPDYXHW-CYBMUJFWSA-N 345.447 2.476 30 40 EEEB COC(=O)[C@@H](CCOc1cccc(C#N)c1)NC(=O)OC(C)(C)C 1615610959 RTHCVJAMJDDDGE-CQSZACIVSA-N 334.372 2.393 30 40 EEEB C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N/c1ccc(C(C)=O)cc1 100837494 LDFJPHHKYXISTJ-CMTMBAJVSA-N 332.381 2.481 30 40 EEEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2O)c1 40477475 LCUIYHCEJNAFHA-UHFFFAOYSA-N 332.381 2.109 30 40 EEEB C=CCOc1ccc(CNCCCSc2nnnn2C)cc1OC 7541504 XLGGOHWZPZAIGD-UHFFFAOYSA-N 349.460 2.056 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2ccc(C)c(C)c2)c(=O)c1C#N 583001 IQMACIAVUNSRPX-UHFFFAOYSA-N 339.395 2.430 30 40 EEEB Cc1nnc(SCc2nc3ccccc3c(=O)n2CC#N)s1 3389034 HPDCYFJZRMVYNN-UHFFFAOYSA-N 329.410 2.372 30 40 EEEB N#Cc1cnn(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1N 64447007 ZLNQRSIWXCAORL-UHFFFAOYSA-N 332.747 2.035 30 40 EEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 5342406 LBDWQOGLKVUGDZ-JJLJGCLUSA-N 338.454 2.088 30 40 EEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 5377229 UMTFUYSOVJKKDE-CRQJOFGKSA-N 338.454 2.006 30 40 EEEB C[C@@H]1CCCC[C@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O 8940348 ZYSHWUIFQWQGSC-ACJLOTCBSA-N 327.384 2.438 30 40 EEEB COc1cnc(O[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)nc1 1140140223 XFMWDXCGYYABQN-CQSZACIVSA-N 328.347 2.149 30 40 EEEB CC(C)N1C[C@]2(COCCN(Cc3ccc(C#N)cc3)C2)CC1=O 585103616 DZDDNYWLHYIKNY-IBGZPJMESA-N 327.428 2.018 30 40 EEEB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2F)cc1 11218085 MHALAIQZLBMQJN-UHFFFAOYSA-N 333.340 2.458 30 40 EEEB CCSc1nnc(/N=C(\O)CN2CC(c3nc(C)no3)C2)s1 49482619 LFURHHZGEIKXOQ-UHFFFAOYSA-N 340.434 2.029 30 40 EEEB C[C@@H](Cc1ccsc1)NC(=O)NCCNc1ncccc1C#N 50156681 FWVARVYHWWUEBG-LBPRGKRZSA-N 329.429 2.357 30 40 EEEB COC(=O)c1ccc(C(=O)N(CCC#N)Cc2ccccn2)s1 69566856 PIEBJHCKCALFLC-UHFFFAOYSA-N 329.381 2.486 30 40 EEEB Cc1cc(C)n2nc(CCCNC(=O)NC[C@H]3C[C@H]3C)c(C#N)c2n1 47066018 XMAJUAHWZQXBDQ-BXUZGUMPSA-N 340.431 2.106 30 40 EEEB N#Cc1c(NC(=O)CN2CCC(O)CC2)sc2c1CCCCC2 23993192 WAPNSOGSKRKRMZ-UHFFFAOYSA-N 333.457 2.284 30 40 EEEB C=CCSCC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 58178383 JMBGAMPDNNITPS-INIZCTEOSA-N 338.448 2.234 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2cccc(N(C)C)c2)C1=O 8995783 HTMJHKKOOCRFRG-CCEZHUSRSA-N 342.399 2.093 30 40 EEEB COc1ccc(NC(=O)C(=NO)C(=O)Nc2ccc(OC)cc2)cc1 4477361 OUKIZTKYIVSAII-UHFFFAOYSA-N 343.339 2.111 30 40 EEEB N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCN(c2ncccn2)C1 65609814 OYBFEXZNAVIPMU-HNNXBMFYSA-N 339.399 2.228 30 40 EEEB COc1ccccc1CC(=O)N1CCN(Cc2cccc(C#N)c2)CC1 71836931 LDRPRFWRCUDYHQ-UHFFFAOYSA-N 349.434 2.454 30 40 EEEB COc1ccc(CN2CC[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]32)cn1 1889109273 CLDXSLZRBLEGIQ-IAGOWNOFSA-N 335.411 2.068 30 40 EEEB C=CCN1CCO[C@H]2CN(C(=O)c3ccc(OC)cc3C)CC[C@H]2C1 1565551844 WHWUPFSTBVHARL-LPHOPBHVSA-N 344.455 2.353 30 40 EEEB N#Cc1ccc(CN2CCN(c3cccc(-n4cccn4)n3)CC2)cc1 2298066463 RXNBHEGNRSCQPX-UHFFFAOYSA-N 344.422 2.461 30 40 EEEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@@H]2c2ccccc2)cc1 102883515 AGZUQZWMDCHGJD-GROYHEBESA-N 337.375 2.409 30 40 EEEB N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c1nc(N)c1ccccc12 103556619 GMDXWSAORSHNSJ-UHFFFAOYSA-N 331.291 2.363 30 40 EEEB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CCCC#N 57996573 BDANNJZIFXJGRV-HNNXBMFYSA-N 332.400 2.470 30 40 EEEB C[C@@H](CO)C1=C(O)C(=O)C2=C(C[C@@H](O)[C@H]3C(C)(C)CCC[C@]23C)C1=O 68601885 KSXQZHNLPHBARZ-RHFYNLOXSA-N 348.439 2.473 30 40 EEEB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1 58330840 BUBBLRNRIZQAEY-GOSISDBHSA-N 328.460 2.046 30 40 EEEB COc1ccccc1N(CCC#N)C(=O)COC(=O)c1cccn1C 3361864 GBDVMTDEIMQVOF-UHFFFAOYSA-N 341.367 2.137 30 40 EEEB C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 12981379 CULHDLKHHUHKLK-NSHDSACASA-N 337.217 2.413 30 40 EEEB COc1cccc(CN(C)S(=O)(=O)c2ccccc2C#N)c1OC 5938518 AFSVESJFAPIMRN-UHFFFAOYSA-N 346.408 2.396 30 40 EEEB C[S@@](=O)c1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1 80070267 QNXYLCNNTYPCCH-QHCPKHFHSA-N 327.409 2.295 30 40 EEEB N#Cc1cc([N+](=O)[O-])cn(Cc2c(F)c(F)c(F)c(F)c2F)c1=O 7534800 STMRQOZHYUJYRV-UHFFFAOYSA-N 345.183 2.372 30 40 EEEB CCn1cc(CN2CCCN(C(=O)c3sccc3C#N)CC2)cn1 69491808 ISLJSKYNBQHFLL-UHFFFAOYSA-N 343.456 2.184 30 40 EEEB C/N=C(/NCC1(c2ccc(OC)cc2)CCOCC1)N1CCCC1 95349749 ISIMDIVHMZSQIL-UHFFFAOYSA-N 331.460 2.415 30 40 EEEB COC[C@](C)(C#N)NC(=O)c1cc(C)n(-c2ccccc2Cl)n1 95988945 DPPWOHZMHJHLTO-INIZCTEOSA-N 332.791 2.493 30 40 EEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)CO)cc1 218092027 QZSAYYAREXRYAD-FGTMMUONSA-N 343.404 2.137 30 40 EEEB CCC[C@@H](C)CS(=O)(=O)/N=C(\O)[C@@H]1CCCN(C(=O)C2CC2)C1 79029222 BYLGNOGMVURYOE-TZMCWYRMSA-N 344.477 2.358 30 40 EEEB N#Cc1cccc(/C(O)=N/S(=O)(=O)N2CCc3ccccc32)c1 78556634 MPEVWHJIYYBFFR-UHFFFAOYSA-N 327.365 2.170 30 40 EEEB CS(=O)(=O)O[C@@H]1C[C@H]2CC[C@H]3C[C@@H](O[C@@H]4CCCCO4)[C@H]1[C@@H]32 45070830 NKITVIAMISOQED-ZDSWLMBUSA-N 330.446 2.309 30 40 EEEB C=CCN(Cc1cccs1)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 96427655 GBLCBJQFKGXBHW-CHWSQXEVSA-N 330.475 2.090 30 40 EEEB N#Cc1cccc(NC(=O)c2cn(C[C@H](O)c3cccs3)nn2)c1 85470493 DWSDYROFPBHIKS-AWEZNQCLSA-N 339.380 2.197 30 40 EEEB CC(C)(C)[C@H](C(=O)O)C(=O)N1CC[C@H](Nc2cccc(C#N)c2)C1 1615555567 UUTNMBSXKUFBKG-GJZGRUSLSA-N 329.400 2.318 30 40 EEEB CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2nc(C)ccc2C#N)C1 548006534 KPLRLQNWOISYHV-QGZVFWFLSA-N 341.440 2.268 30 40 EEEB COC(=O)[C@@H]1CCCN1c1cccc(B2OC(C)(C)C(C)(C)O2)c1 202754691 BEAUYFYVEDRXJO-HNNXBMFYSA-N 331.221 2.128 30 40 EEEB Cc1ncnc(N2CCN(c3ncc(C#N)cc3Cl)CC2)c1F 1776009926 ZUSAFRGEUNJWJT-UHFFFAOYSA-N 332.770 2.171 30 40 EEEB CCOC(=O)COc1c(/C=N/O)cc(Br)cc1OC 100219078 QTZAZMYKYTXPDR-MKMNVTDBSA-N 332.150 2.208 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1cnn(C)c1 69628610 UUKTXLCSOWSTCE-OAHLLOKOSA-N 340.383 2.043 30 40 EEEB N#C[C@@]1(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)CCSC1 96426333 JILRRLXSBXFOBQ-INIZCTEOSA-N 330.388 2.069 30 40 EEEB C=CCn1cnnc1SCc1nnnn1-c1c(C)cccc1C 58160901 FFPZEYLTNZSCRS-UHFFFAOYSA-N 327.417 2.349 30 40 EEEB N#Cc1cc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c[nH]1 97048389 BFXJGVLFUHTTMU-UHFFFAOYSA-N 345.362 2.464 30 40 EEEB Cc1nn(C[C@@H](O)COc2ccc3ccccc3c2)c(=O)c(C#N)c1C 28915634 GWQACACUOOFYKH-QGZVFWFLSA-N 349.390 2.325 30 40 EEEB CC1(C)COCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 69702345 NAJDSBYAUIZHNU-UHFFFAOYSA-N 343.427 2.351 30 40 EEEB N#CCc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1 14527742 IZPDEXOTSLQUKO-UHFFFAOYSA-N 340.358 2.330 30 40 EEEB CCn1cc([C@@H]2OCC[C@@H]2CNCc2cc(C#N)n(C)c2C)cn1 83843487 PSYDBKHBZJVLIU-RDTXWAMCSA-N 327.432 2.289 30 40 EEEB CN(C(=O)CN1CCC(c2cn[nH]c2)CC1)C1(C#N)CCCCC1 97202876 FNPZRFATFXVJDT-UHFFFAOYSA-N 329.448 2.274 30 40 EEEB N#CC1(NC(=O)c2cc3ccccn3c2)CCC2(CC1)OCCO2 73426452 WIALXONDJKSSFV-UHFFFAOYSA-N 325.368 2.249 30 40 EEEB C=CCCS(=O)(=O)N(C)CC(=O)Nc1ccccc1SC 79108373 AQWVIAYTZGDTRY-UHFFFAOYSA-N 328.459 2.185 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cc2cccs2)C1 225481838 IHYJKPKLJAGMGN-GFCCVEGCSA-N 328.397 2.022 30 40 EEEB N#Cc1cccc(CN2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c1 96249735 KAZKOLSZTORZNT-RTBURBONSA-N 349.438 2.076 30 40 EEEB C[C@](O)(CNc1ccc(C(F)(F)F)cc1C#N)CN1CCOCC1 96483039 PLPVZTRDXIJGIE-HNNXBMFYSA-N 343.349 2.072 30 40 EEEB CN1CCN(c2cc(Br)c(C#N)cc2F)CCC1=O 585098945 VEWUWUWTUNYZEM-UHFFFAOYSA-N 326.169 2.128 30 40 EEEB COC[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(C)=CCC[C@]1(C)O[C@H]21 1534691063 PLORWQGZQGHMBG-DCXPXDSUSA-N 338.400 2.010 30 40 EEEB COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)NC(=O)N1 6668048 SGYBCDQFLNSPMR-OAHLLOKOSA-N 336.347 2.351 30 40 EEEB CCCCn1c(S[C@@H](C)C#N)nc2cc(S(N)(=O)=O)ccc21 3480549 AXTKVYRADDAPPW-JTQLQIEISA-N 338.458 2.488 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 4090498 GHIGRDADUISATB-TVEAVKIZSA-N 329.396 2.156 30 40 EEEB COc1ccccc1C(=O)N1CCCN(c2ccc(C#N)cn2)CC1 57142392 IVZFSLGLNUEIRI-UHFFFAOYSA-N 336.395 2.314 30 40 EEEB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(C#N)c1 102699336 KQEZDHFIEFWULQ-MNWMBMHPSA-N 338.407 2.366 30 40 EEEB Cc1c(/C(O)=N/S(=O)(=O)c2cccnc2)oc2c1C(=O)CCC2 48533142 BOUHUYDTABFZBP-UHFFFAOYSA-N 334.353 2.196 30 40 EEEB N#CC1(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CCC1 63476897 RFSZTTUGKCISAO-UHFFFAOYSA-N 339.351 2.473 30 40 EEEB O=[N+]([O-])c1ccccc1/C=C/C=N/NC(=S)NC[C@H]1CCCO1 5166392 NAAPXWDTZKJNLA-WAVZTYLISA-N 334.401 2.237 30 40 EEEB COc1ccc(/C=N/[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 4371447 UGPNXGYAEZANPN-LPICFEOCSA-N 330.340 2.117 30 40 EEEB CCCOc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](CC(=O)O)S2)cc1 6779040 KMVAFZSUNQYANV-SGPNVBEDSA-N 349.412 2.262 30 40 EEEB Cc1ccc(C(=O)N[C@](C)(C#N)Cn2cc(Br)cn2)cn1 72298005 BDDCBBCTLGRMFS-CQSZACIVSA-N 348.204 2.061 30 40 EEEB Cc1ccc(F)c(S(=O)(=O)N(CCC#N)C[C@H]2CCOC2)c1 71856547 FMHJQEDRGUVFHY-CYBMUJFWSA-N 326.393 2.075 30 40 EEEB Cc1cc(NC(=O)Cn2nc(C#N)c3cc(Cl)ccc32)n(C)n1 95409625 IRKJJKZPTMLOTL-UHFFFAOYSA-N 328.763 2.242 30 40 EEEB COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)ccc1C 42306535 CRQSTIHATKDXCI-UHFFFAOYSA-N 344.392 2.135 30 40 EEEB C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1sc(C)nc1C 86170114 XOBVQRUVVHJMJC-UHFFFAOYSA-N 338.458 2.389 30 40 EEEB CC(C)c1noc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 29228914 NMVQDUUDYSDPLG-UHFFFAOYSA-N 342.403 2.252 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@@H]2C12CC2 4480928 MDGVFZYSSMDXTB-ZVWTZBBHSA-N 337.335 2.126 30 40 EEEB N#C[C@@]1(NC(=O)c2ccc(-c3nc(C4CC4)n[nH]3)cc2)CCSC1 79014278 UJOMRBCUGRMAKL-KRWDZBQOSA-N 339.424 2.478 30 40 EEEB COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC 83990 LCPDHSZYRSTOKS-GZTJUZNOSA-N 334.397 2.325 30 40 EEEB O/C(=N\c1nc(C(F)(F)F)n[nH]1)[C@H]1CCCN(c2cnccn2)C1 37171561 KIGKXHFDUVSBJG-QMMMGPOBSA-N 341.297 2.118 30 40 EEEB N#Cc1c(N2CC[C@H](OCCN3CCCCC3)C2)nc2ccccn12 97082670 SVSICICLESRHHL-INIZCTEOSA-N 339.443 2.287 30 40 EEEB Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCCC3)cc2)n1 103502723 IRRBAQWVXMWLNC-QGZVFWFLSA-N 336.395 2.434 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C1 104379321 RGMWXTCHYDJGMJ-AMNHPZTASA-N 345.742 2.389 30 40 EEEB COc1c([C@@H]2CCCN2C(=O)c2ccc(C#N)c(C)n2)c(C)nn1C 72234366 AXRSLYHUYUESHF-HNNXBMFYSA-N 339.399 2.290 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2ccnc2)c1 58250340 JLCWYUHXWXTLNT-AWEZNQCLSA-N 347.378 2.223 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 45417783 KFGBLPDBKXCLEJ-JXMROGBWSA-N 349.390 2.094 30 40 EEEB CCc1ncncc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 48613270 GLOWRJUCIYGUEI-UHFFFAOYSA-N 331.397 2.221 30 40 EEEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 69618508 BIGCAJZLSNDCPJ-QGZVFWFLSA-N 349.390 2.438 30 40 EEEB COc1cccc(C[C@H]2S/C(=N\N=C\c3ccco3)NC2=O)c1 6007306 YWUOTTFOILBMLW-NGWPFTMJSA-N 329.381 2.452 30 40 EEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 5216343 SDBGKGISJZKUGD-CRQJOFGKSA-N 338.454 2.006 30 40 EEEB CCn1cc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)cn1 6637204 VFUJFXRLYWIBRE-ZDUSSCGKSA-N 330.417 2.238 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2)CC1 6923288 ODZPTSZDOABZDQ-UHFFFAOYSA-N 336.351 2.429 30 40 EEEB C=CCN1CCN([C@@H](CC)c2nnnn2Cc2cccs2)CC1 20141782 IKPGNGYMFXXXOA-HNNXBMFYSA-N 332.477 2.038 30 40 EEEB Cc1c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C#N)n1C 93534411 RKHLOSLFGGEJME-AWEZNQCLSA-N 340.387 2.195 30 40 EEEB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O 8325725 ZOGVXABLWLHUGF-HWPZZCPQSA-N 346.412 2.059 30 40 EEEB C[C@@H](Oc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1)C(=O)O 408843683 GZSUEBUCKFKAFO-VURRPDKYSA-N 338.319 2.169 30 40 EEEB CCO[C@@H](CC)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 66003014 HUESHJIZFGJJMN-LBPRGKRZSA-N 343.401 2.308 30 40 EEEB N#Cc1cccnc1N1C[C@H]2CN(c3nnc(C4CC4)s3)C[C@H]2C1 2086954116 ZBNDEDUWOACMTG-OKILXGFUSA-N 338.440 2.255 30 40 EEEB C=CCc1cc(CNC(=O)CCCn2cncn2)cc(OC)c1OC 51467747 YHMRJABUGHXMOG-UHFFFAOYSA-N 344.415 2.120 30 40 EEEB CCCCn1nnnc1CN1CCCN(c2ccc(C#N)cc2)CC1 46085800 JPSUAIONFYARNN-UHFFFAOYSA-N 339.447 2.057 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 84185653 FGDDCHXBOLHJRE-DLBZAZTESA-N 341.411 2.365 30 40 EEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@H]2CC=CCC2)c1 54487295 BOGJTSDAWGZHGB-NSHDSACASA-N 343.426 2.092 30 40 EEEB COC(=O)C1(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CCCCC1 25172764 NPXMJCBNYTVPCH-ZDUSSCGKSA-N 330.384 2.318 30 40 EEEB Cc1ccc(Cl)cc1N1CC[C@@H](C/N=C(/N)N2CCOCC2)C1 97001369 ILSGIMBFJCPEEB-AWEZNQCLSA-N 336.867 2.122 30 40 EEEB N#C[C@H](C(=O)NC[C@H]1CCCO1)C(=O)C1(c2ccc(F)cc2)CCC1 48977146 WQFGDMUDALDISQ-CVEARBPZSA-N 344.386 2.251 30 40 EEEB C=CCSCC(=O)NCC(=O)Nc1ccc(Br)cc1 49317181 AEJBQMHMFZLCMF-UHFFFAOYSA-N 343.246 2.423 30 40 EEEB N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1Cl 16043903 WJAIALNSNAKJTF-STQMWFEESA-N 343.770 2.101 30 40 EEEB COC(=O)C(=O)/C=C(/NNc1ncnc2ccccc12)c1ccccc1 9492198 MNFHMGKDVXPSQB-LFIBNONCSA-N 348.362 2.330 30 40 EEEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408815626 XLCQTZAQVXLUIA-DTQAZKPQSA-N 346.342 2.365 30 40 EEEB CCc1ccc(CN2CCN(S(=O)(=O)CCCC#N)CC2)s1 96415057 LIKKJNBTLMYSKC-UHFFFAOYSA-N 341.502 2.062 30 40 EEEB CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)[C@@H]1COCC[C@H]1C#N 1616037607 LIESKCZMFBHROF-DLBZAZTESA-N 347.440 2.029 30 40 EEEB CN(C)c1ccc([C@H]2C3=C(Nc4nnnn42)c2ccccc2C3=O)cc1 12349176 PINJBRVFYLURSE-KRWDZBQOSA-N 344.378 2.362 30 40 EEEB CC(C)(C#N)C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51983645 GHOIYWZTILOULV-UHFFFAOYSA-N 337.782 2.313 30 40 EEEB CN(CCC#N)c1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1 7126950 DPSWUKREBNTIFD-QGZVFWFLSA-N 345.410 2.482 30 40 EEEB C=CCN(CC=C)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1 58393260 CYLDZEGPCJITLA-UHFFFAOYSA-N 337.441 2.450 30 40 EEEB CC1CCC(NC(=O)c2cccc(S(=O)(=O)NCCC#N)c2)CC1 12789657 XBUOBJBYMRPRSZ-UHFFFAOYSA-N 349.456 2.187 30 40 EEEB COC1=C[C@@]23CCN(C)[C@@H](Cc4cc(OC)c(OC)cc42)C3=CC1=O 15216563 DBPGJIUVRZHFCM-YWZLYKJASA-N 341.407 2.241 30 40 EEEB biogenic,in-vitro Cc1nn(CC(=O)N(C2=CCCCC2)C2CC2)c(=O)c(C#N)c1C 7385202 DYLZEOWNQHCBHJ-UHFFFAOYSA-N 326.400 2.181 30 40 EEEB N#Cc1c(NC(=O)CSc2nnc(N)s2)sc2c1CCC2 7535359 MRXXLDFVIDDVCF-UHFFFAOYSA-N 337.455 2.273 30 40 EEEB N#Cc1cccc(NC(=O)CNC(=O)c2ccc(Br)o2)c1 8114957 HLLFBIMZFQTTDQ-UHFFFAOYSA-N 348.156 2.282 30 40 EEEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@](O)(C(F)(F)F)C1 70038178 AXQPRBYBBQKRRZ-IAQYHMDHSA-N 341.333 2.274 30 40 EEEB CC(=O)/C(=N/Nc1ccc(C(=O)O)cc1)C(=O)OCc1ccccc1 19879228 ZGJNABQJRMGBCW-SILNSSARSA-N 340.335 2.485 30 40 EEEB C=CCCC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 69445536 RETNWTOIHSTWTN-INIZCTEOSA-N 348.443 2.160 30 40 EEEB COc1ccc([C@@H]2C[C@@H]2C(=O)NCCNc2ncccc2C#N)cc1 69560604 NNBCTYBXRIRRMZ-IRXDYDNUSA-N 336.395 2.294 30 40 EEEB CC/N=C(\NCc1ccc(C(=O)NCC)cc1)NCc1ccccn1 71804091 DNETXOOSPFMCMI-UHFFFAOYSA-N 339.443 2.087 30 40 EEEB COC(=O)c1occc1/C=C/C(=O)c1ccc(NS(C)(=O)=O)cc1 71892666 UJAUZMMVEVKONN-VMPITWQZSA-N 349.364 2.334 30 40 EEEB C=CCN1CCC(NC(=O)C[C@H](CC(=O)O)c2ccccc2)CC1 227115067 DWHULXNVHLWDGU-MRXNPFEDSA-N 330.428 2.402 30 40 EEEB N#Cc1ccccc1N1CCCN(c2cn[nH]c(=O)c2Cl)CC1 52189441 JZZWRLOYDXLUOI-UHFFFAOYSA-N 329.791 2.012 30 40 EEEB C=CCCOC/C(O)=N/S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 58209337 AMVSRDOEXPVZCZ-UHFFFAOYSA-N 348.764 2.486 30 40 EEEB CCOC(=O)c1sc(N)c(C#N)c1CSc1cccc[n+]1[O-] 5780104 OGXHMDLKKVAMJK-UHFFFAOYSA-N 335.410 2.304 30 40 EEEB C=CCn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1C1CC1 12688453 RROMGJHTLMXQKM-UHFFFAOYSA-N 349.460 2.202 30 40 EEEB C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(CC[C@@H]1O)[C@@H]2[C@@H]3C(=O)O 230080324 JKQCGVABHHQYKQ-LTLHMEIESA-N 332.396 2.136 30 40 EEEB endogenous,in-man C=CCNC(=O)CN1CCO[C@H](c2nc(-c3ccccc3)cs2)C1 65466245 XJWLNRIUKJJYBX-INIZCTEOSA-N 343.452 2.486 30 40 EEEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc3c(c2)OCO3)n1 16684514 KWGZAABMVYEOOK-NSHDSACASA-N 344.348 2.214 30 40 EEEB CN(C)[C@H]1CCC[C@H](NC(=O)NCCOc2ccc(C#N)cc2)C1 89314000 BJRZKVPKXVCFJU-HOTGVXAUSA-N 330.432 2.109 30 40 EEEB C#CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OCC)c2O)C1=O 409040707 HTGHHMXJDFELQA-KPKJPENVSA-N 348.336 2.369 30 40 EEEB Cc1cc(S(=O)(=O)NCc2cccc(C#N)c2)ccc1[N+](=O)[O-] 79361316 IKTHXLIKOPDXLI-UHFFFAOYSA-N 331.353 2.253 30 40 EEEB N#Cc1ccc(N2CCC[C@@](O)(c3cnn[nH]3)C2)cc1C(F)(F)F 583616916 ZCLTYMIRKGDTQE-AWEZNQCLSA-N 337.305 2.183 30 40 EEEB COc1cc(OC)cc(OCCNC(=O)N2CCC[C@H](CC#N)C2)c1 595557045 DMYJFCYVODNOEX-CQSZACIVSA-N 347.415 2.418 30 40 EEEB C[C@H](CC#N)NS(=O)(=O)c1ccc(C#N)cc1N1CCCCC1 1615050829 BISSJRKFAPEYAZ-CYBMUJFWSA-N 332.429 2.129 30 40 EEEB CCCS(=O)(=O)N1CCC(Nc2c(F)cc(C#N)cc2F)CC1 58292837 JTPCSWSHWCCZHL-UHFFFAOYSA-N 343.399 2.453 30 40 EEEB NC(=O)c1cncc(C#CC2(NC(=O)c3cccnc3)CCCCC2)c1 12337525 QJSBFCNADVAGKN-UHFFFAOYSA-N 348.406 2.060 30 40 EEEB CC(C)N1CCO[C@H]2CN(C(=O)Cc3ccc(C#N)cc3)CC[C@H]2C1 1565547055 MQZHKLQJFLYKKA-OALUTQOASA-N 341.455 2.058 30 40 EEEB Cc1nc(-c2ccc(OCC(=O)N[C@@](C)(C#N)C3CC3)cc2)no1 46030351 NAXURIAISNREGE-KRWDZBQOSA-N 326.356 2.232 30 40 EEEB Cc1sc(C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 6679568 AGSQPSLYIYRTQX-UHFFFAOYSA-N 349.437 2.431 30 40 EEEB CCc1ccc(C(C)(C)CN/C(=N/C)NCc2ncnn2C)cc1 97021572 QDYLSSIJFDYTBB-UHFFFAOYSA-N 328.464 2.020 30 40 EEEB CCOC(=O)[C@@H]1CCCN(/C=C2/Oc3c(ccc(O)c3C)C2=O)C1 103159824 HDSIJDLILVYHGI-JXCQQFQQSA-N 331.368 2.392 30 40 EEEB C#CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 109974366 CAEBTBQTJKLDKR-ATVHPVEESA-N 332.384 2.469 30 40 EEEB N#Cc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 21934912 FSOKJOOHCDIXBU-UHFFFAOYSA-N 335.407 2.320 30 40 EEEB CC(=O)N1CCc2cc(NC(=O)COc3ccccc3C#N)ccc21 12787781 IPUKXHXHGLTPLK-UHFFFAOYSA-N 335.363 2.485 30 40 EEEB CS(=O)(=O)c1cccc(C(=O)OCCOc2ccc(C#N)cc2)c1 11318763 JYLRHXBGCQVOGK-UHFFFAOYSA-N 345.376 2.198 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1[N+](=O)[O-])[C@H]1C=C[C@H]2CC1 409205578 INWQRXQGSHKGDW-DXLWOAFFSA-N 325.324 2.126 30 40 EEEB CCN(CC)CC#C[C@@H](C)OC(=O)c1cccc(-n2cccn2)n1 95429436 HLLBNHRBPFSLQK-OAHLLOKOSA-N 326.400 2.158 30 40 EEEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 409046419 RGMWXTCHYDJGMJ-IMWOSCBPSA-N 345.742 2.389 30 40 EEEB C[C@@H](c1cccc(C#N)c1)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 187714932 JWBZWGZLLDIQQK-YOEHRIQHSA-N 333.457 2.119 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 96249646 ZIQPWIXMZWXLRB-RTBURBONSA-N 328.456 2.355 30 40 EEEB Cc1noc([C@H]2CN(CCOc3cccc(C#N)c3)C[C@@H](C)O2)n1 599612283 VLBOEDZFLHFKGN-MLGOLLRUSA-N 328.372 2.091 30 40 EEEB COc1ccccc1S(=O)(=O)CCCOc1cncc(C#N)c1 1616036047 FVVXWNPWJJFFSB-UHFFFAOYSA-N 332.381 2.205 30 40 EEEB N#Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11129912 CMTAHRCXMMQCJQ-SOFGYWHQSA-N 348.406 2.119 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)c3ccc(COC)cc3)CC[C@@H]2C1 1565551388 DHYOZZBTDATIJI-RTBURBONSA-N 344.455 2.182 30 40 EEEB CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)CCO2 40504611 BXVWBVZVRABTOR-UHFFFAOYSA-N 328.393 2.314 30 40 EEEB Cc1cc(C)c(C#N)c(SC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)n1 58153131 RLCUWQPHCFQHOX-RBSFLKMASA-N 335.473 2.132 30 40 EEEB C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2cnnn2)cc1 58283097 QEWMFFLILUEGTE-UHFFFAOYSA-N 335.342 2.077 30 40 EEEB CN1CCC(N2CC[C@@H](N(C)c3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 69739055 CWRNDGCEGDOQHF-MRXNPFEDSA-N 343.431 2.071 30 40 EEEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cc(C)ccc4nc32)cc1 6809472 XQCOVCSWTYWQEL-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB C[C@@H](NC(=O)COCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 9833632 BGWQXYPZTWKCGH-CQSZACIVSA-N 337.379 2.391 30 40 EEEB C#CCOc1ccc(CCNC(=O)N(C)CC2CCN(C)CC2)cc1 95350183 CCKITTOURDEJLQ-UHFFFAOYSA-N 343.471 2.224 30 40 EEEB CCOc1ccc(CN(CCC#N)CCN2CCOCC2)cc1OC 89267895 PJSXMCUPPUTLQH-UHFFFAOYSA-N 347.459 2.142 30 40 EEEB C[C@@H]1Cc2cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)ccc2O1 190339997 RHCVZNSTDLLZBM-SNVBAGLBSA-N 348.346 2.477 30 40 EEEB CC(C)(C)OC(=O)c1ccccc1B1OC(C)(C)[C@@](C)(CCN)O1 604940262 RZUUARRKVSXIAK-GOSISDBHSA-N 333.237 2.270 30 40 EEEB CC[C@@H](Sc1nnc(C)c(O)n1)C(=O)Nc1ccccc1C#N 52515 NQEXFSHQOGRPRG-GFCCVEGCSA-N 329.385 2.267 30 40 EEEB CCOC(=O)c1cs/c(=N/N=C/c2ccc(OC)c(OC)c2)n1C 352517 MCULYHCMQKYZMP-APBNWAIRSA-N 349.412 2.215 30 40 EEEB C=CCNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 12747758 QAGCGXNTHXWISQ-CYBMUJFWSA-N 339.395 2.209 30 40 EEEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 13582995 NMKYUBDIARGHNB-XQQFMLRXSA-N 340.383 2.024 30 40 EEEB N#CC1(NC(=O)CN2CC[C@H](CNc3ccccn3)C2)CCCCC1 97200576 ACTUYEHBBHKMHQ-MRXNPFEDSA-N 341.459 2.158 30 40 EEEB C[C@@H](NC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccc(C#N)cc1 517711717 QZCBTIYHKNDEDA-RHSMWYFYSA-N 340.427 2.416 30 40 EEEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc(-c2ccccc2)[nH]n1 126388826 XQYBQPIPGJTVAR-ZDUSSCGKSA-N 331.335 2.433 30 40 EEEB CC#CCNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 189938273 GDGQBMSGWLVJKP-UHFFFAOYSA-N 340.427 2.118 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cnn(C)c2)s1 78556463 VSUATEVXXULJSD-QWRGUYRKSA-N 325.415 2.239 30 40 EEEB CCO[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 96427812 YMLLZPLCKVLNGS-ZDUSSCGKSA-N 328.821 2.401 30 40 EEEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 1775995629 CCPSBBVUSWFTIW-QGZVFWFLSA-N 336.395 2.208 30 40 EEEB CC1(C)OC(C)(C)c2c1sc(NC(=O)COCC(=O)O)c2C#N 20436633 HNBXSJRJVCEREO-UHFFFAOYSA-N 338.385 2.160 30 40 EEEB COc1ccc(NC(=O)Nc2sc3c(c2C#N)CCNC3)cn1 50076292 CXSQDDIXGJPUNP-UHFFFAOYSA-N 329.385 2.313 30 40 EEEB C#CCNC(=O)c1ccccc1NCC(=O)Nc1ccc(CC#N)cc1 40554261 LJQATEZWPRSBNB-UHFFFAOYSA-N 346.390 2.166 30 40 EEEB N#Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 2652229 HIMLSQGGQYJVGH-UHFFFAOYSA-N 330.347 2.416 30 40 EEEB COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 2729024 NTVKNDCASGZELD-GZTJUZNOSA-N 334.397 2.325 30 40 EEEB N#Cc1ccc(OC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 8768009 CICKLEYLQYUPEO-UHFFFAOYSA-N 342.376 2.218 30 40 EEEB CC(C)(C)OC(=O)NCC(=O)N[C@H]1C/C(=N/O)c2sccc21 104315581 QPJOCIVAEUBKKN-IOHWYASZSA-N 325.390 2.012 30 40 EEEB CCOc1ccc(Br)cc1S(=O)(=O)N(C)CCC#N 3251588 WMZQNJJPEKEDQT-UHFFFAOYSA-N 347.234 2.382 30 40 EEEB COCc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc1 48598778 WCWLBSCRERNTOG-UHFFFAOYSA-N 330.365 2.398 30 40 EEEB Cc1cccc(N(CCC#N)C(=O)Cc2ccc(-n3cnnn3)cc2)c1 69590195 ITCSBKRAYQZTLL-UHFFFAOYSA-N 346.394 2.460 30 40 EEEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccncc2)cc1 69571596 QIASJGHOWWEUSQ-HNNXBMFYSA-N 338.392 2.107 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)N[C@@H]1CCOc2c(OC)cc(C)cc21 72230288 ZHORKMYGWPHGNY-SJORKVTESA-N 342.439 2.431 30 40 EEEB C=CCn1nnnc1S[C@@H]1CCN(c2ccccc2Cl)C1=O 71893963 TWNNDZNOZDYSGP-GFCCVEGCSA-N 335.820 2.410 30 40 EEEB N#Cc1nc(N2CCN(C(=O)c3ccc(O)cc3)CC2)ccc1Cl 95414816 LOHXGXHAELPUIZ-UHFFFAOYSA-N 342.786 2.275 30 40 EEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1[N+](=O)[O-] 222286114 CQGBJIWEJYYPTB-DVHWRPNLSA-N 339.351 2.434 30 40 EEEB COc1cnccc1[C@H](C)/N=C(/O)C(C)(C)S(=O)(=O)C1CC1 328915017 QOHWYEKXWTXJSD-JTQLQIEISA-N 326.418 2.464 30 40 EEEB COc1ccc2ccccc2c1CNS(=O)(=O)N(C)[C@@H](C)CC#N 225752206 IEUSDZZMMZEMQP-ZDUSSCGKSA-N 347.440 2.417 30 40 EEEB CCn1ncc(C#N)c1NS(=O)(=O)c1c(C)n(C)c2ccccc12 225435851 YMOFHJGHDAHHNY-UHFFFAOYSA-N 343.412 2.376 30 40 EEEB C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1cccnc1OC 96066780 YWLNQMINKDOXGO-INIZCTEOSA-N 328.416 2.126 30 40 EEEB COC[C@@H]1CN(c2nc3c(cc2C#N)CCC3)C[C@H]1c1cnn(C)c1 585655451 CQYQLKVJIPICQY-IRXDYDNUSA-N 337.427 2.042 30 40 EEEB N#Cc1ccc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)nc1 1775977203 GTKFRIPCDLNKKM-UHFFFAOYSA-N 332.367 2.330 30 40 EEEB Cc1n(CCO)c([N+](=O)[O-])c[n+]1CC(=O)c1cccc2ccccc12 27529724 HOLXLRGFSPACMO-UHFFFAOYSA-N 340.359 2.021 30 40 EEEB CS[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 65592760 JZBIQWRPQNPKJV-MFKMUULPSA-N 335.454 2.150 30 40 EEEB N#CCN1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 96496457 FPXVWLDDQCVICA-OLZOCXBDSA-N 329.297 2.186 30 40 EEEB N#CCn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409404040 BNBJMIRPYCMOGP-DSIZOQBWSA-N 344.374 2.306 30 40 EEEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccco2)cc1 69350629 OZUULTZATFXJLZ-CYBMUJFWSA-N 327.365 2.305 30 40 EEEB Cc1noc(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)n1 69348937 AKFRCUPKULPWMF-UHFFFAOYSA-N 339.399 2.458 30 40 EEEB Cc1cc(CNC(=O)C#Cc2ccccc2)ccc1S(C)(=O)=O 89591236 MJAFMFBVHNBTMC-UHFFFAOYSA-N 327.405 2.066 30 40 EEEB C[C@H](Cc1ccncc1)/N=C(/O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O 329090939 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349.500 2.487 30 40 EEEB N#CC1(NC(=O)c2cc(Br)nc(Br)c2)CC1 585126416 YLILEBUAIUUFDM-UHFFFAOYSA-N 344.994 2.393 30 40 EEEB Cc1noc([C@@H]2CCCN(CCC(=O)Nc3ccccc3C#N)C2)n1 69703746 IJAJOPGRMJZMNZ-OAHLLOKOSA-N 339.399 2.458 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 84185650 FGDDCHXBOLHJRE-IRXDYDNUSA-N 341.411 2.365 30 40 EEEB COc1ccc(CN2CCN(C[C@H](C#N)CCC#N)CC2)cc1F 25232574 GUWPNLYTSVABPA-INIZCTEOSA-N 330.407 2.395 30 40 EEEB N#Cc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1Cl 65575608 KKRQOSLKDDZPRZ-UHFFFAOYSA-N 333.819 2.287 30 40 EEEB C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 4554874 LMERFQUKCYCPHQ-SFHVURJKSA-N 325.389 2.497 30 40 EEEB COC(=O)c1cccc(OC[C@@H](O)CN(CCC#N)CC(C)C)c1 6552525 ULGWJAFIIXZFNX-INIZCTEOSA-N 334.416 2.085 30 40 EEEB N#Cc1cnn(-c2ccc(C(=O)NCc3ccccc3F)cc2)c1N 66239676 UAVMJFZUNJYJBU-UHFFFAOYSA-N 335.342 2.395 30 40 EEEB C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)c2cccc(C#N)c2)CC1 69487411 IXLSVDHWGLQLOT-IAGOWNOFSA-N 340.471 2.189 30 40 EEEB CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1F 78904447 DZEARNIUOMYDJA-UHFFFAOYSA-N 348.403 2.023 30 40 EEEB C=CCNC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O 20767885 RUPSRGHVDYBASB-UHFFFAOYSA-N 329.356 2.478 30 40 EEEB CC1(C)CN(C(=O)Nc2ccn(CC#N)n2)Cc2ccccc2O1 585141661 FANLCUUEZCRDHT-UHFFFAOYSA-N 325.372 2.612 30 40 EEEB CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccc(C#N)cc2Cl)C1 591644115 AOOZMGSWUAZMFZ-QGZVFWFLSA-N 335.835 2.017 30 40 EEEB O=[N+]([O-])c1cc(-c2ccc(/C=N\n3cnnc3)o2)cc([N+](=O)[O-])c1 4150963 FCFOSPYQGNODQC-SOFYXZRVSA-N 328.244 2.237 30 40 EEEB Cc1ccc(-c2cc(Cn3c(=O)c(C#N)cn(C4CC4)c3=O)on2)cc1 32780025 QRIWGAMEVIHRMY-UHFFFAOYSA-N 348.362 2.228 30 40 EEEB CC(=O)C1=C(O)C[C@@H]2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O 1563322 UCEDYRRYYRYVBN-XTZNXHDOSA-N 346.335 2.001 30 40 EEEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2sccc2C)cc1 2770015 ZMFJYXLIODOJJV-OQLLNIDSSA-N 337.426 2.327 30 40 EEEB COc1cc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)ccc1OC(F)F 103502735 DCHJYNLQIIXBAL-LLVKDONJSA-N 338.310 2.241 30 40 EEEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)ccc1O 12347349 LHAYPQUJVPMBCX-ZDUSSCGKSA-N 327.340 2.394 30 40 EEEB C=CCCO[C@H](C)C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 58078275 LDAZQHQPCCZPTN-CQSZACIVSA-N 349.406 2.483 30 40 EEEB N#Cc1ccc(F)c(CN2CCC(c3ccnn3CCO)CC2)c1 58290008 MGDOCJTWRMAFLD-UHFFFAOYSA-N 328.391 2.266 30 40 EEEB N#Cc1cccnc1NCCNC(=O)N1CCC[C@H](C(F)(F)F)C1 44971938 KOFACJZXVFUQFA-LBPRGKRZSA-N 341.337 2.349 30 40 EEEB COc1cc(/C=N/N2C(=O)CSC2=S)ccc1OC(F)F 36611939 PVHRESNYTZZMNJ-PJQLUOCWSA-N 332.353 2.491 30 40 EEEB Cc1nc(-c2ccc(CCn3cc(C#N)c(O)nc3=O)cc2)cs1 48325395 MGNGTYJKCAUDPJ-UHFFFAOYSA-N 338.392 2.495 30 40 EEEB N#Cc1ccccc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8186639 DEDQEXNCRCRVBO-LJQANCHMSA-N 333.347 2.288 30 40 EEEB CN(C1(C#N)CCC1)S(=O)(=O)c1cc(Cl)cc2c1OCC2 96502826 IQRJXLOHYRGANN-UHFFFAOYSA-N 326.805 2.342 30 40 EEEB C=CC/N=C(/NCCCOCC)NCc1ccc(C(=O)N(C)C)cc1 75127818 UADMGXLWLBHOIF-UHFFFAOYSA-N 346.475 2.036 30 40 EEEB Cc1cc2cc(C#N)c(NCCNC(=O)CCC(=O)O)nc2cc1C 35312850 VMDPZHDIXVGJHE-UHFFFAOYSA-N 340.383 2.116 30 40 EEEB C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 101356004 CLJLQLWOMBOQIG-HNNXBMFYSA-N 329.375 2.316 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1cc(Br)cc(OC(C)C)c1 102700093 AYBPZCWGJRNNEA-GFCCVEGCSA-N 339.189 2.305 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 103508186 VHRHGXZNTJOSPW-IAGOWNOFSA-N 348.358 2.209 30 40 EEEB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1cnn(C)c1 103504293 WFRAFAFOGBUOFS-LLVKDONJSA-N 346.774 2.352 30 40 EEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 24092198 OELYWZVAXZUVNA-QFBILLFUSA-N 335.363 2.059 30 40 EEEB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 11480355 GAOMEPUWPIQOBL-ZDUSSCGKSA-N 345.399 2.368 30 40 EEEB N#CC1(NC(=O)CN2CCO[C@@H](c3nccs3)C2)CCCCCC1 65593914 KINFXOISQDLZEA-CQSZACIVSA-N 348.472 2.249 30 40 EEEB Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(CC#N)cc1 95433120 QUZRCWZYHICTFU-KRWDZBQOSA-N 330.409 2.073 30 40 EEEB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@H](C#N)C1 907098088 SKXHYTVQMUWZRG-GFCCVEGCSA-N 336.413 2.432 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 125750 RJQUOIJAURTDOC-ZDUSSCGKSA-N 328.368 2.182 30 40 EEEB COc1cc(C(=O)O/N=C(\N)c2ccc(C)cc2)cc(OC)c1OC 18172982 SZBVWVFGYHDDFQ-UHFFFAOYSA-N 344.367 2.498 30 40 EEEB CC(=O)c1ccc(NCCCc2n[nH]c(N)c2C#N)c([N+](=O)[O-])c1 25370135 WYFWZATVLIMHOW-UHFFFAOYSA-N 328.332 2.019 30 40 EEEB Cc1nc2ccccc2c(=O)n1C[C@H](O)COc1ccc(C#N)cc1 12943730 LRMQZFZRQPOZBH-HNNXBMFYSA-N 335.363 2.017 30 40 EEEB CN(Cc1cccc(C#N)c1)c1cnn(C)c(=O)c1Br 71903096 KFNWERCWLHPIBJ-UHFFFAOYSA-N 333.189 2.051 30 40 EEEB COC(=O)c1cc(COC(=O)COc2ccc(C#N)cc2)oc1C 8010098 QEUOVFZUVRVFTB-UHFFFAOYSA-N 329.308 2.369 30 40 EEEB N#Cc1cccc(C(=O)NS(=O)(=O)c2cccc3cnccc23)c1 69595745 MSGUUSCCXLZFBI-UHFFFAOYSA-N 337.360 2.225 30 40 EEEB N#Cc1ccc(CNC(=O)N2CC[C@H](Oc3ccncc3)C2)c(F)c1 95413450 CRTZICAQCGCADC-INIZCTEOSA-N 340.358 2.455 30 40 EEEB C[C@H]1CCc2ccccc2N1CCC(=O)NC1(C#N)CCOCC1 73729959 ZTPJMMBWTUVJHL-HNNXBMFYSA-N 327.428 2.407 30 40 EEEB N#Cc1cnccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 89781084 UPCUNCUWHJNMBJ-UHFFFAOYSA-N 337.307 2.202 30 40 EEEB COc1cc([N+](=O)[O-])cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1O 36207462 KTLUCLQDHVTWSS-GIDUJCDVSA-N 333.260 2.058 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(C)n(C)n2)cc1Cl 80298768 RZDCWQVIXHGGIA-UHFFFAOYSA-N 327.793 2.384 30 40 EEEB CCn1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871178 RLZJFWAKPIVQLM-UHFFFAOYSA-N 339.399 2.017 30 40 EEEB Cc1onc(CC(=O)N2CCCN(C)c3ccc(F)cc32)c1C#N 611528462 YLRMSRHSAPNBGK-UHFFFAOYSA-N 328.347 2.409 30 40 EEEB CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc1C 32672376 WXSBRYFKKCFKOD-TZMCWYRMSA-N 347.440 2.240 30 40 EEEB N#CC1(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)CCCC1 1565549159 MPOUBZRZAMLVES-YQQAZPJKSA-N 341.411 2.303 30 40 EEEB NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 40283293 LAXDKPNQNSGMST-OAHLLOKOSA-N 326.331 2.143 30 40 EEEB CC(/C=N/Nc1ccc([N+](=O)[O-])cn1)=N/Nc1ccc([N+](=O)[O-])cn1 104395682 AGVUZXOYZYMXNX-SJONFPTISA-N 344.291 2.179 30 40 EEEB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)n1 58283133 PGLUSLTZFROLKX-UHFFFAOYSA-N 345.366 2.267 30 40 EEEB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCCNc1cccc(F)c1C#N 58421593 YITWUCJMZNYAEH-LLVKDONJSA-N 343.406 2.380 30 40 EEEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 64099511 FVHBKYRPTHBQEY-YPMHNXCESA-N 345.392 2.445 30 40 EEEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 5494715 WLRVTYYDAFGCHA-RIYZIHGNSA-N 340.386 2.140 30 40 EEEB C=CCn1cnnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 6589847 OGSASVJKPOGNNU-UHFFFAOYSA-N 346.412 2.356 30 40 EEEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1ccc(C(N)=O)cc1 14305525 LBABYNSRAVUCSE-NVNXTCNLSA-N 332.425 2.318 30 40 EEEB CN(CC(=O)Nc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 16628784 GRMATESWTRWWGG-INIZCTEOSA-N 337.379 2.269 30 40 EEEB CS(=O)(=O)CC1(CC(=O)N[C@H](C#N)c2ccccc2Cl)CC1 95406015 WPHRHJVVWWGMAT-CYBMUJFWSA-N 340.832 2.236 30 40 EEEB C=CCNc1ncc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)s1 95435667 NATNYQYRSWIFTR-GFCCVEGCSA-N 329.429 2.145 30 40 EEEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1 33040249 FIZGIIHAQQLSTG-HNNXBMFYSA-N 335.411 2.102 30 40 EEEB Cc1cccc(S(=O)(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)c1C#N 570186110 JDWLRROGHCDSOZ-GJZGRUSLSA-N 332.425 2.056 30 40 EEEB Cc1nn2c(nnc3c(=O)n(CCS)ccc32)c1-c1ccccc1 40390879 HJCGDIDEURCLDH-UHFFFAOYSA-N 337.408 2.344 30 40 EEEB C/N=C(\NCc1cccn1C)N[C@H](C)c1cc(OC)ccc1OC 97227515 VPDZZRUVBXHEOH-CYBMUJFWSA-N 330.432 2.469 30 40 EEEB CCc1nc(CN2CCN(c3nnc(C)c(C)c3C#N)CC2)cs1 57150409 VKHOMVQDMLLPND-UHFFFAOYSA-N 342.472 2.306 30 40 EEEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C(/C)c2ccccc2)cc1 5412324 YETULPDGRFQQAD-PDGQHHTCSA-N 331.397 2.348 30 40 EEEB CCc1ncnc(N2C[C@H]3CN(c4ccc(C#N)nc4)C[C@@H]3C2)c1F 1888856536 PRFDRKFDELGICE-CHWSQXEVSA-N 338.390 2.017 30 40 EEEB C=CCOc1ccc(CN(C)C(=O)c2ccc(=O)n(CCC)n2)cc1 40457433 GTDCHODPJFLNIQ-UHFFFAOYSA-N 341.411 2.490 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)COC2CCCC2)CC1 52677071 VYSMRVCAMJHULO-UHFFFAOYSA-N 344.415 2.031 30 40 EEEB CCOC1(OCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3F)[C@]12C#N 103010372 JLVQOIUVWRBVHK-KBMXLJTQSA-N 328.347 2.040 30 40 EEEB COc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc(Cl)c1O 103883573 LZELKOBSHKJZAN-VBYGYHDTSA-N 346.770 2.195 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1Cc2ccccc2C1 55627203 ISQSLPMWXWXDMN-UHFFFAOYSA-N 349.434 2.422 30 40 EEEB COc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccc1OC(F)F 26276325 XERXGUFGNSFKEU-UHFFFAOYSA-N 333.254 2.015 30 40 EEEB COc1cccc(OCCOc2cccc(/C=N/NC(N)=S)c2)c1 4510934 WVHXQULRULMYPZ-XDHOZWIPSA-N 345.424 2.320 30 40 EEEB CCc1ccc(-c2nnn(CC(=O)Nc3cccc(C#N)c3)n2)cc1 7040742 VHFYVZROZQIMPW-UHFFFAOYSA-N 332.367 2.413 30 40 EEEB COc1cccc(-c2nc(C#N)c(NC[C@H](C)N3CCOCC3)o2)c1 96346078 IJMDZKFVKLEEHG-ZDUSSCGKSA-N 342.399 2.354 30 40 EEEB C#CCNC(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 71796297 FEMYEELGPGKHIC-UHFFFAOYSA-N 333.388 2.345 30 40 EEEB N#Cc1cccc(NC(=O)NCC(=O)N2CCc3ccccc3C2)c1 69533143 FHTLEKUTCBSMDA-UHFFFAOYSA-N 334.379 2.265 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCN(C(C)C)C1 96999553 GRVJGAKXAJFZIO-AWEZNQCLSA-N 326.400 2.463 30 40 EEEB Cn1cc(C2CCN(CC(=O)Nc3sccc3C#N)CC2)cn1 97202897 FJEIMLDWNRPMIE-UHFFFAOYSA-N 329.429 2.171 30 40 EEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/Cc1ccco1 408528764 WISHMRIACQKGOQ-AGZSBTIMSA-N 345.742 2.403 30 40 EEEB N#Cc1ccc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 252570770 XDDKYKRIUIFJSG-WKILWMFISA-N 347.378 2.340 30 40 EEEB COCCCNc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]2C[C@H]21 1615051197 XONAUNFXERPKIV-GOEBONIOSA-N 349.456 2.180 30 40 EEEB O=C(NCCc1cc(C(=O)NO)no1)c1ccc(Cl)c(Cl)c1 1775953406 JFGOILLZIAIYGA-UHFFFAOYSA-N 344.154 2.073 30 40 EEEB CCOC(=O)C(=NNc1cccc(Br)c1)C(=O)OCC 1703193 CSYLXXCNRLJAOZ-UHFFFAOYSA-N 343.177 2.343 30 40 EEEB CC(C)n1ncc2c1NC(=O)[C@H]([N+](=O)[O-])[C@H]2c1ccc(F)c(F)c1 100254906 NVGXCEDMBWDLAC-QWHCGFSZSA-N 336.298 2.472 30 40 EEEB C=CCc1ccccc1OC[C@H](O)CN1C(=O)CC2(CCCC2)C1=O 24101872 GFEQCZUGHFQTBV-MRXNPFEDSA-N 343.423 2.474 30 40 EEEB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(C#N)cn1 58158537 ASFMTSXEULOTJT-UHFFFAOYSA-N 345.424 2.262 30 40 EEEB CC(C)C[C@@](C)(C#N)NC(=O)CCn1cnc2ccccc2c1=O 58406214 XHDZWOIDHJVPMF-SFHVURJKSA-N 326.400 2.231 30 40 EEEB C=CCN(C(=O)[C@@H](C)OC(C)=O)c1nc(C)c(C(=O)OCC)s1 36612011 JAYNOLPBESODLB-SNVBAGLBSA-N 340.401 2.099 30 40 EEEB C#CCN1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 69980248 HSZDLWTYRGGRQP-KRWDZBQOSA-N 340.423 2.424 30 40 EEEB CS[C@H]1CS(=O)(=O)C/C1=N/OC(=O)Nc1ccc(C)cc1 8775323 HHWPVVWLRXJSOL-CMHHUMAZSA-N 328.415 2.060 30 40 EEEB C[C@H](Nc1ncnc2c1cnn2CCC#N)c1ccc2[nH]c(=O)[nH]c2c1 97199789 PZYXKDIEJFKKJW-JTQLQIEISA-N 348.370 2.083 30 40 EEEB Cc1ccn2ncc(C(=O)N[C@H](C#N)c3ccc(F)cc3F)c2n1 79310176 YCGQQMTYMPDTRM-CQSZACIVSA-N 327.294 2.311 30 40 EEEB N#Cc1cnc(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cn1 123513946 GTVXHMNYUTTZJC-INIZCTEOSA-N 343.818 2.487 30 40 EEEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225651369 XILCKBKWOVHBSH-SQNIBIBYSA-N 327.405 2.437 30 40 EEEB CC(C)CNC(=O)C1=NO[C@@]2(CCN(Cc3cccc(C#N)c3)C2)C1 96225449 CEVRWONLRIZZHI-IBGZPJMESA-N 340.427 2.051 30 40 EEEB Cc1cc(C)c2ncc(C#N)c(N3CCN([C@H]4CCNC4)CC3)c2c1 333568903 RRXAHPGKBKMOCR-KRWDZBQOSA-N 335.455 2.207 30 40 EEEB Cc1n(CCO)c([N+](=O)[O-])c[n+]1[C@@H](C)C(=O)c1ccc(Cl)cc1 11566402 WPGNMTRQAXVQPE-JTQLQIEISA-N 338.771 2.082 30 40 EEEB CCN(CC(=O)NC1(C#N)CCCC1)C[C@H]1COc2ccccc2O1 36726039 FCTWGLUHBNZCSN-HNNXBMFYSA-N 343.427 2.101 30 40 EEEB N#Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2F)ccc1F 76082262 FBKGZCJVGBUTKE-UHFFFAOYSA-N 338.291 2.335 30 40 EEEB C=CCn1nnnc1SCc1noc(Cc2ccccc2C)n1 84244014 YBWQGUXVWDHZDS-UHFFFAOYSA-N 328.401 2.434 30 40 EEEB CCS(=O)(=O)N1CCC(Nc2c(F)cc(C#N)cc2F)CC1 58292828 DNKFRFAJYBYUSF-UHFFFAOYSA-N 329.372 2.062 30 40 EEEB C=CCNc1nc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cs1 5040292 KBRCSWYCSZXFJJ-UHFFFAOYSA-N 348.428 2.240 30 40 EEEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/Nc1ccc([N+](=O)[O-])cn1 408741382 PMHDGANLRVIKPR-XKYMITNMSA-N 338.327 2.426 30 40 EEEB N#Cc1cc(N2CCCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-] 95944292 GTZBEMRTMLAELU-UHFFFAOYSA-N 348.366 2.450 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1 84591596 UHVUFPLUOPCHLY-KRWDZBQOSA-N 337.427 2.178 30 40 EEEB C=CCN1CCN(C)C2(CCN(Cc3ccc(C)s3)CC2)C1=O 96050059 BCEYZLNWWWHXBF-UHFFFAOYSA-N 333.501 2.351 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)c4ccoc4)C3)C2)n1 96047694 CJPUDKTZFDJTBL-QAPCUYQASA-N 338.367 2.032 30 40 EEEB C=CCO[C@H]1CCN(C(=O)Cc2ccccn2)[C@H]1Cc1cccnc1 96200534 JGYNPUTZSLJDFU-OALUTQOASA-N 337.423 2.434 30 40 EEEB N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1 538766545 WDLIKWQCKQGKBQ-LRDDRELGSA-N 329.306 2.180 30 40 EEEB CCc1cc(OCC2CCN(c3nccc(C#N)n3)CC2)nnc1C 1888864415 KRBHGFUOIMWXGR-UHFFFAOYSA-N 338.415 2.305 30 40 EEEB CSc1ncc(C#N)c(N2CCC[C@H](COc3cnccn3)C2)n1 2298188624 KJRQJZDNDSOGHI-LBPRGKRZSA-N 342.428 2.156 30 40 EEEB NC(=O)c1ccccc1OCC#CCNC(=O)c1cccc(Cl)c1 85558744 VFNZFVQGVMXVBN-UHFFFAOYSA-N 342.782 2.251 30 40 EEEB CC(C)(C#N)C(=O)N1CCN(CCOc2ccccc2Cl)CC1 55097670 ZFZRYLKZYOUEDD-UHFFFAOYSA-N 335.835 2.413 30 40 EEEB O=C(NCC#Cc1ccccc1)[C@H]1CCCCN1C(=O)c1ccco1 58327331 LMTLLSGJJKTENJ-QGZVFWFLSA-N 336.391 2.442 30 40 EEEB N#Cc1c(F)cccc1N1CCN(C(=O)COC2CCCC2)CC1 48326564 SZHLMAPJEDJBAD-UHFFFAOYSA-N 331.391 2.305 30 40 EEEB Cc1cc(C)cc(OCC/C(O)=N/S(=O)(=O)c2cnn(C)c2)c1 48676468 ORWIHPFDTHGHSS-UHFFFAOYSA-N 337.401 2.151 30 40 EEEB COc1ccccc1-c1n[nH]c(/N=C(\O)CN2CCCCCC2=O)n1 63738564 AYVHMCYOHOQREA-UHFFFAOYSA-N 343.387 2.471 30 40 EEEB C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 71911693 WZHAYIHEONSWNM-UHFFFAOYSA-N 344.459 2.262 30 40 EEEB Cc1cccc(N2CCN(C(=O)CN(C)c3ccc(C#N)cn3)CC2)c1 49974549 DIKUBAGVAVXHFZ-UHFFFAOYSA-N 349.438 2.047 30 40 EEEB CCOc1cc([N+](=O)[O-])cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1O 409108192 SFQDUWPQHGNEJM-LZYBPNLTSA-N 347.287 2.448 30 40 EEEB COc1ccc(CCN/C(N)=N/CCc2nc(C)cs2)cc1OC 75583755 WGPNINYGQRHPQV-UHFFFAOYSA-N 348.472 2.158 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1C=C[C@H]2C12CC2 408723597 XMGFCHXHRGJZRX-FAJMNAAISA-N 343.364 2.187 30 40 EEEB CCS[C@H](C)C[C@@H]1CC(N2CCOCC2)=CC(=O)[C@H]1C(=O)OC 254828668 SRAPBEIRSKNNIS-IOASZLSFSA-N 341.473 2.112 30 40 EEEB N#C[C@@H](C(=O)c1cc(F)cc(F)c1)c1nnnn1-c1ccccc1 16523786 NUFQAXKFPYKVOF-AWEZNQCLSA-N 325.278 2.431 30 40 EEEB Cc1nc2c(c(N3C[C@H]4CN(c5ccc(C#N)nc5)C[C@@H]4C3)n1)CCC2 1888866846 FNATWUPUVTUCGR-HUUCEWRRSA-N 346.438 2.113 30 40 EEEB C[C@@](C#N)(NC(=O)CN1CCN(c2ccccc2Cl)CC1)C1CC1 34868290 MBDURLJCSZAFAL-SFHVURJKSA-N 346.862 2.270 30 40 EEEB COc1ccnc(N2CCC[C@@H](COc3cc(C#N)ccn3)C2)n1 1776007719 BFLGYELENUVUME-CQSZACIVSA-N 325.372 2.047 30 40 EEEB COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(O)c1 22123520 FTBXUMDEZMVEEK-GTNSWQLSSA-N 334.372 2.001 30 40 EEEB N#CCCn1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2)n1 69971143 SCGZZGLXUJUDRA-UHFFFAOYSA-N 343.362 2.085 30 40 EEEB COc1ccc(N(C)S(=O)(=O)c2cccc(C#N)c2)cc1OC 58245959 PQYKUGQNWKDUKO-UHFFFAOYSA-N 332.381 2.401 30 40 EEEB CCCN(CC#N)C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F 58824167 LMVAHDPTNJBTDW-LBPRGKRZSA-N 335.351 2.354 30 40 EEEB COc1ccc(OC[C@H](O)COc2ccc(C#N)cc2)c([N+](=O)[O-])c1 8734636 MCSZJFUMOMCLJP-CYBMUJFWSA-N 344.323 2.294 30 40 EEEB C=CCNS(=O)(=O)c1cccc(C(=O)N(CC2CC2)C2CC2)c1 65488602 PTHKUOPYCLCLAD-UHFFFAOYSA-N 334.441 2.166 30 40 EEEB CCn1c(Cn2nc(C)c(C)c(C#N)c2=O)nc2cc(F)ccc21 66256396 NYPFTTAUEQHDIA-UHFFFAOYSA-N 325.347 2.289 30 40 EEEB N#Cc1ccc(OCCCN2Cc3ccccc3C[C@H]2C(N)=O)cc1 71810934 VGJHGARQZVUFSF-IBGZPJMESA-N 335.407 2.239 30 40 EEEB CC(C)OCCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 96743043 OWCPWQKKOQKRRO-UHFFFAOYSA-N 330.388 2.353 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NC2CCN(CC=C(C)C)CC2)c1 75134344 WXSCZSAFVRWUJB-UHFFFAOYSA-N 339.439 2.153 30 40 EEEB N#CCC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 195567551 MRUOBQKGPSMDLJ-VIFPVBQESA-N 332.713 2.362 30 40 EEEB C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc2c(c1)CCC(=O)N2 96491033 HAHPHOOSGGJXDF-CWTRNNRKSA-N 340.427 2.030 30 40 EEEB N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 14708983 ZNFVIGHXTPIJPE-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB CCOC(=O)c1cccc(N2CC(=O)C(c3nc(C)cs3)=C2N)c1 13723076 KMTDCUXINANWBM-UHFFFAOYSA-N 343.408 2.345 30 40 EEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 101312133 UMTFUYSOVJKKDE-QVDVFPETSA-N 338.454 2.006 30 40 EEEB COc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C#N)cc1 3472037 CNQFSOWUBRXENM-UHFFFAOYSA-N 340.335 2.128 30 40 EEEB C[C@@H](Cc1ccc(F)cc1)NC(=O)CN(C)c1ccc(C#N)cn1 67797978 PFGWBTAYXWSXTM-ZDUSSCGKSA-N 326.375 2.276 30 40 EEEB N#Cc1nccnc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 69393162 CAEVQTXACAXYMZ-UHFFFAOYSA-N 344.396 2.315 30 40 EEEB CN(Cc1ccccc1)C(=O)CCNc1nccc(C#N)c1[N+](=O)[O-] 96472201 HGJBPRNTGZBKSQ-UHFFFAOYSA-N 339.355 2.322 30 40 EEEB CN(C)CCNc1ncccc1CNc1ccc(C#N)cc1[N+](=O)[O-] 71922353 UXXYOWRDHCFMJO-UHFFFAOYSA-N 340.387 2.447 30 40 EEEB C#CCN(C[C@H]1CCCO1)C(=O)NCCCN(C)c1cccc(F)c1 72268239 CRMUKLCEROVYAZ-GOSISDBHSA-N 347.434 2.476 30 40 EEEB Cc1nn(C)c(=O)c(C(=O)N[C@@H](C#N)c2c(F)cccc2Cl)c1C 97230335 MGZJASAIEINNAU-LBPRGKRZSA-N 348.765 2.184 30 40 EEEB N#Cc1ccc(C(=O)Nc2nc3ccc(Br)cn3n2)nc1 84425394 OOXXLRUBBWDIPD-UHFFFAOYSA-N 343.144 2.011 30 40 EEEB CS(=O)(=O)c1cccc(OCCN(CC#N)Cc2ccccc2)c1 96414830 LNGGOXLUKJMHLC-UHFFFAOYSA-N 344.436 2.495 30 40 EEEB N#Cc1cccc(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c1 96418694 CHZJIYYOVWEHAT-FQEVSTJZSA-N 349.434 2.466 30 40 EEEB C/N=C(\NCc1cnn(C)c1)NC[C@@H](C)Oc1ccc(Cl)cc1 95963359 KGKUCJZYUPZFAB-GFCCVEGCSA-N 335.839 2.206 30 40 EEEB COC(=O)CCc1csc(NCCNc2ccc(C#N)cn2)n1 1615569719 QUSROCQAXHRWQD-UHFFFAOYSA-N 331.401 2.039 30 40 EEEB C#CCOc1cccc(CN2[C@H]3CC[C@@H]2Cc2c(nc(C)[nH]c2=O)C3)c1 19286371 MACAEQPCSDDUPT-SJORKVTESA-N 349.434 2.222 30 40 EEEB Cc1cnc(OC2CCN(c3nc4ccccn4c3C#N)CC2)nc1 594591012 IXUWOGGYIHEZOA-UHFFFAOYSA-N 334.383 2.352 30 40 EEEB CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/NC(N)=S 100090827 VWTDJGNKIOMUJT-HKWRFOASSA-N 340.408 2.133 30 40 EEEB CC(=O)C1=C(c2ccc(C)cc2)N(C(C)=O)n2c(C)nnc2S1 4518214 CXBKTFYXEJVJKU-UHFFFAOYSA-N 328.397 2.443 30 40 EEEB CCCCCCn1c(N/N=C(/C)CC)nc2c1c(=O)[nH]c(=O)n2C 4713322 JSZSZLVKFFTYNB-ODLFYWEKSA-N 334.424 2.201 30 40 EEEB Cc1nnc(SCC(=O)Nc2sc(C)c(C)c2C#N)nc1O 8578934 DYGVQWXYQBBUKD-UHFFFAOYSA-N 335.414 2.166 30 40 EEEB C/N=C(\NCc1ccc(C)cc1OC[C@H]1CCOC1)NCC1CC1 97021818 LGIGNRVQPMWCPM-INIZCTEOSA-N 331.460 2.485 30 40 EEEB COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O 3136524 FJOCMEZVPRFECH-FRKPEAEDSA-N 328.284 2.229 30 40 EEEB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1 12756067 FZUWAODVGYJBLA-UHFFFAOYSA-N 347.371 2.102 30 40 EEEB N#Cc1ccccc1NC(=O)c1sc2nc(N)c(C#N)cc2c1N 18240943 ILURXDSFKLRSOU-UHFFFAOYSA-N 334.364 2.456 30 40 EEEB C#CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OC 6311666 WCIFNGLTXCEPLL-RAXLEYEMSA-N 330.409 2.127 30 40 EEEB COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1[N+](=O)[O-] 5605379 UTPXYUFPTFZALG-PJQLUOCWSA-N 347.278 2.385 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)C2CC2)cc1 9515531 DHNCWTGEJWXRGY-QGZVFWFLSA-N 349.456 2.139 30 40 EEEB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2F)c(-c2nn[nH]n2)c1 408735968 YZXNDDGJXYYBHW-LZYBPNLTSA-N 327.279 2.360 30 40 EEEB CCCn1nc(C)c(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1C 95414050 YOJJWFKJDVEALV-INIZCTEOSA-N 331.464 2.216 30 40 EEEB Cc1nc(Cl)sc1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 75093430 CJINWOVFCJRLPD-NSHDSACASA-N 326.853 2.411 30 40 EEEB C#Cc1cc(F)c(NC(=O)N2CCCN(C(=O)C3CC3)CC2)c(F)c1 122292817 FWMIDVUMJRRYTD-UHFFFAOYSA-N 347.365 2.422 30 40 EEEB N#Cc1cc(NCc2cn(C[C@H]3CCCO3)nn2)nc2ccccc12 1616035043 PFIWQOJJENMPQK-OAHLLOKOSA-N 334.383 2.489 30 40 EEEB C#CCNC(=O)c1ccccc1NC(=O)c1cc(F)cc2[nH]cnc12 69666738 PWMNDDZCVCQARV-UHFFFAOYSA-N 336.326 2.317 30 40 EEEB Cc1nc(N(C)CCc2ncc(Br)cn2)ccc1C#N 1615552519 VXJUDBULLVERIQ-UHFFFAOYSA-N 332.205 2.493 30 40 EEEB CCNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N 12421144 NJEJQBNSRDAYBY-UHFFFAOYSA-N 346.412 2.430 30 40 EEEB Cc1oc(-c2nc(C#N)c(NC(C)C)o2)cc1S(=O)(=O)N(C)C 40288427 WECVTMGBXANHIC-UHFFFAOYSA-N 338.389 2.185 30 40 EEEB COC(=O)C1=C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)cc1 3766577 XJPKUUMFXIADPX-UHFFFAOYSA-N 349.342 2.221 30 40 EEEB N#Cc1ccc(CCC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 47289003 JXCGBDSCDUDQES-UHFFFAOYSA-N 349.438 2.435 30 40 EEEB Cc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1[N+](=O)[O-] 409411815 LNNIMGMZONSWGD-UHFFFAOYSA-N 340.339 2.192 30 40 EEEB N#Cc1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 12866832 HKXVFSBVDSVWLI-UHFFFAOYSA-N 327.428 2.323 30 40 EEEB C=CCNc1nc(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cs1 3508506 HXKCSQKCQMZFKQ-TXEJJXNPSA-N 337.445 2.402 30 40 EEEB COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1c(C)nn(C)c1C 18260325 VDYNMEMCBUOHEU-GFCCVEGCSA-N 328.372 2.323 30 40 EEEB CC(C)S(=O)(=O)NC[C@H]1CCCN(c2cccc(F)c2C#N)C1 65551954 MFNYJBMIBUGISD-CYBMUJFWSA-N 339.436 2.242 30 40 EEEB Cc1nn(C)c(C)c1/C=C/C(=O)[C@H](C#N)c1nnc2n1CCCCC2 71859286 FGSOYBHEAPYUHX-HVHJFMEUSA-N 338.415 2.245 30 40 EEEB COc1cc(/C=N/n2c(S)nnc2C(F)F)cc(OC)c1OC 8469945 MGOGYHJWROEEAH-OMCISZLKSA-N 344.343 2.412 30 40 EEEB N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](N4CCCC4)C3)C2=O)cc1 84383839 WFUUGHNSBNHRNG-RBUKOAKNSA-N 338.455 2.224 30 40 EEEB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(N)=S)cc2)c1 409004997 BWBHDMNDHHIOFY-GRSHGNNSSA-N 342.424 2.180 30 40 EEEB Cc1ccc2nc(NCCNC(=O)c3cnccn3)c(C#N)cc2c1 35289208 DVRUYUOLEOAPSA-UHFFFAOYSA-N 332.367 2.047 30 40 EEEB C=CCn1c([C@@H](CO)NC(=O)c2ccccc2Cl)n[nH]c1=S 85400169 CYJKOTIOBADHCF-LLVKDONJSA-N 338.820 2.243 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(-c3ccccn3)no2)CC1 81314800 WVLJATASHSQADT-MRXNPFEDSA-N 339.399 2.043 30 40 EEEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2oc(=O)n(C)c2c1 96419228 SEQXEAICGLQWRO-UHFFFAOYSA-N 343.364 2.112 30 40 EEEB C=CCN1C(=O)COC2(CCN(Cc3c(C)noc3C)CC2)[C@H]1C 96201543 JTDBYZMGIGQWAX-OAHLLOKOSA-N 333.432 2.059 30 40 EEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)cc1 585101573 CIOHMYBRVPKSBE-SFHVURJKSA-N 341.386 2.406 30 40 EEEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@](O)(C(F)(F)F)C1 70038176 AXQPRBYBBQKRRZ-XHDPSFHLSA-N 341.333 2.274 30 40 EEEB 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([N+](=O)[O-])s1 169332211 KCZFLFYOLLDLKV-HWBCMVOSSA-N 343.364 2.043 30 40 EEEB N#Cc1ccnc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298183925 HCDGVDMMXOOXIX-CQSZACIVSA-N 334.370 2.427 30 40 EEEB COc1cc(NCC(=O)N[C@](C)(C#N)C(C)C)cc(OC)c1OC 46169772 NRLCIJRQWWPMRH-QGZVFWFLSA-N 335.404 2.179 30 40 EEEB CCCN(CCC)C[C@@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1 4722218 NHHQAESAQPUBLU-WPBJZHHJSA-N 338.364 2.465 30 40 EEEB CCOC(=O)C1=C(C(=O)C(C)C)[C@H](c2cccs2)NC(=S)N1 101776468 WDESIWBTFMZPFK-NSHDSACASA-N 338.454 2.309 30 40 EEEB CCN(CC)C(=O)c1sc(NC(=O)c2cnccn2)c(C#N)c1C 2754675 SCLIPPDCUSZIHX-UHFFFAOYSA-N 343.412 2.453 30 40 EEEB O=S(=O)(/N=C(\O)c1ccn(Cc2ccccc2)c1)N1CCCC1 97081439 UIFWMYRBNWCQTH-UHFFFAOYSA-N 333.413 2.182 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C2CC2)s1 23325030 PCWZDVOYIBDFOF-UHFFFAOYSA-N 343.412 2.164 30 40 EEEB CO/N=C/Nc1nc2nccc([C@H](C)Oc3cccc(F)c3)n2n1 3134407 GZIWXOUMCXUJHP-JTQLQIEISA-N 330.323 2.405 30 40 EEEB C[C@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccc(C#N)c1 81500957 FMJSKXSIAVPHOC-IINYFYTJSA-N 327.306 2.328 30 40 EEEB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(N3CCCC3)c(C#N)c1)C2 72285421 LVTMNTAUBVUWLP-QGZVFWFLSA-N 349.438 2.408 30 40 EEEB Cc1ccc(C#N)c(SCC(=O)NCc2ccc(C(=O)O)cc2)n1 4193598 MPNDVFXJKMZSFN-UHFFFAOYSA-N 341.392 2.368 30 40 EEEB Cc1ccc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)cc1 14066670 SGCYAVJKGPJKQH-UHFFFAOYSA-N 335.411 2.022 30 40 EEEB Cc1ccc([C@H](NC(=O)Cn2cnc(C#N)n2)c2cccs2)cc1 14144103 BWEJMUPLCIIHPG-KRWDZBQOSA-N 337.408 2.426 30 40 EEEB CCCCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)n[nH]c1=O 14249086 OSMCIXZGJUNQTQ-LLVKDONJSA-N 345.428 2.362 30 40 EEEB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)COc1ccc(C#N)cc1 4994240 FKDOOFNXIJSGCS-ZIAGYGMSSA-N 330.384 2.270 30 40 EEEB Cc1nn(Cc2nc(-c3ccc(Cl)cc3)no2)c(=O)c(C#N)c1C 7385032 SXBYJQHXZYWRNA-UHFFFAOYSA-N 341.758 2.484 30 40 EEEB CC1CCC(NS(=O)(=O)CC(=O)N(C)c2cccc(C#N)c2)CC1 68307448 SQUHHMZSLPAUJB-UHFFFAOYSA-N 349.456 2.019 30 40 EEEB C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1nccn1C(F)F 72766332 FDYNHEVNLOACJS-GFCCVEGCSA-N 339.390 2.441 30 40 EEEB CCCN1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 95432853 DTJPHVXXAQRDOZ-UHFFFAOYSA-N 341.864 2.318 30 40 EEEB C[C@H](CC#N)N(C)S(=O)(=O)N(C)Cc1cc(Cl)ccc1F 225754572 KQIVEAWDLRZHOH-SNVBAGLBSA-N 333.816 2.390 30 40 EEEB CCCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1OC 97940135 UJUQITHNUBXUIM-WEVVVXLNSA-N 333.340 2.104 30 40 EEEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OC 96921132 XEHCNNSJVLENKL-IUXPMGMMSA-N 332.316 2.462 30 40 EEEB Cc1ccnc(N2CCN(C(=O)Cc3ccccc3F)CC2)c1C#N 612073343 WZVPWIGEJWUZHR-UHFFFAOYSA-N 338.386 2.292 30 40 EEEB O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/CCc2ccccc2)cc1 4429517 MCPAPVJNCYFCEH-FOWTUZBSSA-N 333.369 2.492 30 40 EEEB CC(C)C(=O)C1=Cc2cccc([N+](=O)[O-])c2O[C@H]1N1CCOCC1 19626744 PNCNOXNHJPZNTE-QGZVFWFLSA-N 332.356 2.254 30 40 EEEB Nc1nc2ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc2s1 2270673 QYABSPYMXNNFRD-UHFFFAOYSA-N 344.311 2.484 30 40 EEEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1 9470122 MCWVJWCYPRLVTN-UHFFFAOYSA-N 331.397 2.107 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 289871 BZGJRLPALQTYDX-ZDUSSCGKSA-N 344.323 2.059 30 40 EEEB C#CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 17797496 HFHDZRRQDZOKKC-UHFFFAOYSA-N 342.420 2.183 30 40 EEEB COc1cc(Br)cc(/C=N/n2cn[nH]c2=S)c1O 534466 UWPOCJHBDJAXER-YIXHJXPBSA-N 329.179 2.300 30 40 EEEB C#CCNC(=O)C[C@@H]1CCN(Cc2ccc(OC)cc2O)C[C@@H]1CC 8300198 UWGRJOXZUCJEEB-HOTGVXAUSA-N 344.455 2.388 30 40 EEEB biogenic,in-vitro N#Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12535991 SUXOTHXWCNKYDE-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB Cc1nnc(SCC(=O)N[C@](C)(C#N)C2CC2)n1-c1ccccc1 3386112 SBIGZBPJTJQACE-QGZVFWFLSA-N 341.440 2.476 30 40 EEEB C[C@H]1CN(CCNC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 48342032 JVMNDEYKYHRBAS-RYUDHWBXSA-N 336.823 2.442 30 40 EEEB CCOC(=O)N1CCN(c2nc(N3CCCC3)cc(C)c2C#N)CC1 71279599 DOTOWFNVAYYLPA-UHFFFAOYSA-N 343.431 2.140 30 40 EEEB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)OCC#N)cc1 7824807 VKIWUGGZRKCRDJ-UHFFFAOYSA-N 336.413 2.320 30 40 EEEB N#Cc1cccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2CC[C@@H]2CCCO2)c1 69510999 OCMNEWNJYQUFDU-LZLYRXPVSA-N 342.395 2.492 30 40 EEEB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2)c1 71803499 XQDJLZXHAQRYPE-NSHDSACASA-N 339.351 2.088 30 40 EEEB N#Cc1cn(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)nc1N 95396720 SJOQZIXVEBWOMC-FPYGCLRLSA-N 330.351 2.373 30 40 EEEB N#C[C@H](C(=O)c1nccn2c(Br)cnc12)c1ccccn1 95455835 PKINUCHKRZOPKC-VIFPVBQESA-N 342.156 2.377 30 40 EEEB C/C(=C\C(=O)NS(=O)(=O)Cc1ccccc1C#N)c1ccncc1 98056546 KYMMYBLHBFLGIQ-JLHYYAGUSA-N 341.392 2.003 30 40 EEEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])cc1OC 33704893 BSLDOBOICAXWDF-APSNUPSMSA-N 347.287 2.361 30 40 EEEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)CCC 217522963 NHTDBAUKSKZUJX-LLVKDONJSA-N 326.418 2.450 30 40 EEEB C[C@@H]1CCCN(/C(N)=N/CCCS(=O)(=O)Cc2ccccc2)C1 195529969 XDKQQLYHWYEDSP-OAHLLOKOSA-N 337.489 2.038 30 40 EEEB CCOC(=O)c1cnn(Cc2cn3cc(Cl)ccc3n2)c1C#N 253426257 ROLYJPOETPQYAD-UHFFFAOYSA-N 329.747 2.281 30 40 EEEB CC(=O)N[C@]1(c2nc(C)no2)CCN(c2cccc(Cl)c2C#N)C1 591606807 BGMKGLPKHCFWPZ-MRXNPFEDSA-N 345.790 2.145 30 40 EEEB N#Cc1ccc(OCC(=O)Nc2ccn(CCc3ccncc3)n2)cc1 58343534 DJABOJDXZDOLDW-UHFFFAOYSA-N 347.378 2.410 30 40 EEEB N#Cc1c(SCCN2CCCCC2)sc2c(=O)[nH]c(O)nc12 19200274 PLYXIUWGOUTVLP-UHFFFAOYSA-N 336.442 2.140 30 40 EEEB COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc2c1OCO2 7743122 IFBAFPHXTFPLQH-ONEGZZNKSA-N 330.292 2.287 30 40 EEEB CCOC(=O)c1sc2nc(-c3ccccc3)c(C#N)c(=O)n2c1N 1106209 KZFMWYMWBREGDT-UHFFFAOYSA-N 340.364 2.054 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccccc1 102866389 FBIOKSWIUSQVGO-DPEHCCBOSA-N 327.336 2.348 30 40 EEEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc(OC)c1O 18195939 OCDCSLQRLNJUAL-OAHLLOKOSA-N 342.355 2.023 30 40 EEEB C[C@H]1CN(C)c2ccccc2N(CC(=O)N[C@@](C)(C#N)C2CC2)C1 76040480 ZHOJBQIPBBEDAW-LIRRHRJNSA-N 326.444 2.387 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 3881889 GHIGRDADUISATB-RUEZSYAVSA-N 329.396 2.156 30 40 EEEB biogenic C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1F 69740083 IFAYHHPCLUWHAL-UHFFFAOYSA-N 331.340 2.114 30 40 EEEB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1/C=N/Cc1ccccc1 4738568 OZOCNXLLZHWPPF-BBJIBYMTSA-N 339.326 2.296 30 40 EEEB CCCO[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1 71835083 XFEBMMMWHVRLFG-HNNXBMFYSA-N 345.443 2.214 30 40 EEEB O=C(O)N=C1NC(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S1 408730681 TXHFSQWKFWLHDB-MBXJOHMKSA-N 326.717 2.307 30 40 EEEB C=CCOc1c(Cl)cc([C@@H]2CC(=O)N=C3NC=NN32)cc1OC 38303790 DRTMVFSVTRSSMY-NSHDSACASA-N 334.763 2.089 30 40 EEEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)CO)cc1 218346376 XILCKBKWOVHBSH-FGTMMUONSA-N 327.405 2.437 30 40 EEEB N#Cc1cccc(CN2Cc3nccn3C[C@H](CN3CCCC3)C2)c1 96188352 GVYRUYGJCICUNG-LJQANCHMSA-N 335.455 2.483 30 40 EEEB N#CC1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 590486506 XQVBSQQSKMFPCP-UHFFFAOYSA-N 331.173 2.435 30 40 EEEB CC(C)c1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 601731705 VMHYIQUZWQFGMC-UHFFFAOYSA-N 339.399 2.494 30 40 EEEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccco2)C3=O)CC1 20517822 VDEDKMULYVMFRJ-BOPFTXTBSA-N 340.379 2.349 30 40 EEEB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1sccc1C#N 30009911 MORMWYJFLVZICY-MRVPVSSYSA-N 327.369 2.228 30 40 EEEB CCOc1ccc(Cl)c(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)n1 103717402 FESCDZJMJOTIHR-JTQLQIEISA-N 344.758 2.490 30 40 EEEB C=CCNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 58202760 NTDWMDVMMOZLTE-UHFFFAOYSA-N 336.438 2.142 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)ccc1OC 4066590 LNFDCCFVCFDXQE-HNNXBMFYSA-N 348.424 2.226 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1OC 4066592 LNFDCCFVCFDXQE-OAHLLOKOSA-N 348.424 2.226 30 40 EEEB Cc1nc(C#N)c(N2CCN(C(=O)CSC3CCCC3)CC2)o1 65591282 FZUJCZQXNJRSCT-UHFFFAOYSA-N 334.445 2.179 30 40 EEEB N#Cc1cccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1 6423452 NBPFQPBFEMFBAG-UHFFFAOYSA-N 348.314 2.460 30 40 EEEB C[C@](C#N)(NC(=O)COC(=O)CCC(=O)c1cccs1)C1CC1 5787710 ZZRLUPCVJJBCNI-MRXNPFEDSA-N 334.397 2.063 30 40 EEEB C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn(C)c1 119250054 DDVBOJIOOTXIPA-UHFFFAOYSA-N 338.820 2.288 30 40 EEEB C[C@@H]1CCC[C@H](NC(=O)COCC(=O)Nc2ccc(C#N)cc2)[C@@H]1C 19823344 RLYPQFNJRZEZOM-CPUCHLNUSA-N 343.427 2.454 30 40 EEEB C[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)C 95987361 KPMJOBDCAXGXBM-LSDHHAIUSA-N 348.516 2.481 30 40 EEEB C[C@@H](NC[C@H]1CCCn2ccnc21)C(=O)NC1(C#N)CCCCC1 89448618 FRFPIHRDEQHXIL-HUUCEWRRSA-N 329.448 2.081 30 40 EEEB Cn1ccnc1CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 191728629 AYQORLAPAXMKEC-UHFFFAOYSA-N 329.303 2.284 30 40 EEEB CCN(CC)CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N 59004459 QMUNZDCJSMETQS-UHFFFAOYSA-N 334.489 2.429 30 40 EEEB CCn1nccc1[C@@H]1OCCC[C@H]1CNc1n[nH]c(C2CC2)c1C#N 594945914 IPLBNAIMGGIPSC-SUMWQHHRSA-N 340.431 2.955 30 40 EEEB COCC(=O)N1CCC(F)(F)[C@@]2(CCN(c3cccc(C#N)c3)C2)C1 2055803755 SHZZEHMVZWSHEV-QGZVFWFLSA-N 349.381 2.269 30 40 EEEB COc1ccc(OC)c(S(=O)(=O)/N=C(\O)c2cnc(C)s2)c1 69895260 RVLDSMBOJZOXJF-UHFFFAOYSA-N 342.398 2.162 30 40 EEEB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)CC#N)c1 65488261 LIKDAIVEYLVKDA-ZDUSSCGKSA-N 337.445 2.091 30 40 EEEB C=CCNc1nnc(SCN2C(=O)c3ccccc3C2=O)s1 7063079 BROCKUILQKONHV-UHFFFAOYSA-N 332.410 2.482 30 40 EEEB N#Cc1cccc(CS(=O)(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1 72728798 DAJQSWCIVTVWBC-DLBZAZTESA-N 344.440 2.358 30 40 EEEB CCN(CC)CC#C[C@H](C)OC(=O)c1ccc(-n2cnnc2)cc1 95429439 FQXPXSWCRYIZJO-HNNXBMFYSA-N 326.400 2.158 30 40 EEEB COCc1cc(C)n(Cc2ccc(C(=O)OC)cc2)c(=O)c1C#N 408609085 YNUKGSMAOOWURM-UHFFFAOYSA-N 326.352 2.010 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C#N)C2=O)c1 408528927 XQEIKJSAKUQRCV-HNNXBMFYSA-N 346.346 2.468 30 40 EEEB C=CCO[C@@H]1CCN(C(=O)Cc2cccs2)[C@H]1Cc1cnn(C)c1 306137480 QXMSZEZZLAKGNO-DLBZAZTESA-N 345.468 2.439 30 40 EEEB N#Cc1cnc(NC[C@H](O)CN2CCc3ccccc3C2)c(Cl)c1 79353709 VGOIVPRRUDGLOY-INIZCTEOSA-N 342.830 2.438 30 40 EEEB CN(C)C(=O)N1CCC[C@]2(COCCN(c3cccc(C#N)c3)C2)C1 96229007 RYWHFBQZBYLGFN-LJQANCHMSA-N 342.443 2.159 30 40 EEEB C=C[C@](C)(CC)C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 97104389 PWHHQCLSJMNHFV-VQIMIIECSA-N 335.492 2.134 30 40 EEEB Cc1cc(C#N)cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)n1 585128714 LOKMVSYHKAJLAV-NSHDSACASA-N 329.381 2.386 30 40 EEEB N#Cc1cccc(NC(=O)NCCNC(=O)c2c(F)cccc2F)c1 69812852 FRFORJYMKZTHRC-UHFFFAOYSA-N 344.321 2.388 30 40 EEEB CO/N=C1\C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c2ccsc21 5714110 CNAYTPAPGSFYRW-NFDWGTCTSA-N 339.417 2.184 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCCOc1ccccc1 7986957 PEEMWQHXYGGDLU-SFHVURJKSA-N 332.400 2.443 30 40 EEEB CCC(C)(C)NC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C 104553798 ATNLJQZHICNCIH-RIYZIHGNSA-N 326.462 2.323 30 40 EEEB C=CCN1C(=O)c2ccccc2N[C@H]1c1c(C)nn(CCO)c1C 57991294 SSOIMLLYDIABGF-QGZVFWFLSA-N 326.400 2.245 30 40 EEEB COc1ccc(C(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 13007014 KIWJTYPXHQBPEE-UHFFFAOYSA-N 349.390 2.165 30 40 EEEB C[C@@](C#N)(NC(=O)COC(=O)CCC(=O)c1cccs1)C1CC1 5787712 ZZRLUPCVJJBCNI-INIZCTEOSA-N 334.397 2.063 30 40 EEEB COc1ccc(CC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 4889019 VQGOEXANDGHMHO-UHFFFAOYSA-N 329.312 2.010 30 40 EEEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C#N)cc1 218456559 VSMYOWCNBUPIGG-OKZBNKHCSA-N 326.421 2.410 30 40 EEEB CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)NCC1(CC(C)C)CCC1 195546212 PBURCEKVCOPCDC-HNNXBMFYSA-N 343.537 2.193 30 40 EEEB C=CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Cl)cc1 95545574 BZRKWCUOVDGIPG-WYMLVPIESA-N 330.818 2.146 30 40 EEEB N#Cc1ccc(S(=O)(=O)NCc2ccon2)c(N2CCCCC2)c1 1615050854 GBEORKRSKRLGSY-UHFFFAOYSA-N 346.412 2.015 30 40 EEEB C=C1C[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)OC1=O 5742048 GMPQSOIOCLUVEM-YXISZKLHSA-N 346.379 2.320 30 40 EEEB N#CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 13635161 CZMQJGBTEPBKPD-HXUWFJFHSA-N 328.375 2.427 30 40 EEEB CCCCOc1ccc(CO/N=C\c2c(C)[nH]c(=O)[nH]c2=O)cc1 4480203 NWECFJNREIYCFD-ZDLGFXPLSA-N 331.372 2.101 30 40 EEEB C=CCN[C@@](NC(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F 20533526 VCAYZSRXODIMPV-CQSZACIVSA-N 330.306 2.014 30 40 EEEB N#Cc1cccnc1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 52358532 UHBWRHDPYFUGDP-UHFFFAOYSA-N 342.424 2.350 30 40 EEEB C/N=C(\NCc1ccon1)NCc1cc(OC)ccc1OC(F)F 97021940 VLKNNFUSNOFMJF-UHFFFAOYSA-N 340.330 2.150 30 40 EEEB C=CCO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 72291739 YUJYGYKIBLMXHM-GFCCVEGCSA-N 326.418 2.368 30 40 EEEB CS(=O)(=O)Nc1ccccc1C(=O)OCc1cccc(C#N)c1 12526465 GKOZWOACCJTGDH-UHFFFAOYSA-N 330.365 2.287 30 40 EEEB C#CCN1CCC(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1 58406827 BDQRTZDRBBZXEQ-MRXNPFEDSA-N 343.446 2.113 30 40 EEEB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OC 11530865 LOJKESZLCNLWNO-XIKOKIGWSA-N 348.399 2.304 30 40 EEEB COc1cc(OC)c2c(C)c(C/C(O)=N/c3ncn[nH]3)c(=O)oc2c1 13681784 BFOJIXYLMMIOSO-UHFFFAOYSA-N 344.327 2.067 30 40 EEEB C[C@@](C#N)(NC(=O)CSc1nnc(-c2cccnc2)o1)C1CC1 6100326 CSWRWDJYLLNDMQ-HNNXBMFYSA-N 329.385 2.032 30 40 EEEB COCCNC(=O)Cn1cc(C#N)c2cc(Br)ccc21 6368322 LIUJAVYRQPZTPM-UHFFFAOYSA-N 336.189 2.038 30 40 EEEB CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CC(N)=O)CC1 65529366 UBWSHNLRPCYCFA-SFHVURJKSA-N 343.427 2.076 30 40 EEEB CCCCN1CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 68902839 AJUTXAPZADQYLR-UHFFFAOYSA-N 339.436 2.240 30 40 EEEB C#CCNC(=O)CC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 97235735 WFLGTLHCMATYNV-FQEVSTJZSA-N 346.430 2.495 30 40 EEEB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(CCC#N)C1CCOCC1 71889101 PTTAWQAHBVJWKS-OAHLLOKOSA-N 349.475 2.383 30 40 EEEB C=CCN(CCO)C(=O)Nc1ccc(I)cc1 71909975 BPKBRSOHQKXKPO-UHFFFAOYSA-N 346.168 2.303 30 40 EEEB C=CCn1nnnc1S[C@H]1CCCN(Cc2ccccc2)C1=O 89685355 GXHBXQUBHXDNCR-AWEZNQCLSA-N 329.429 2.142 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 409408559 RGMWXTCHYDJGMJ-TXFQPVFDSA-N 345.742 2.389 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C#N)C2=O)c1 408528929 XQEIKJSAKUQRCV-OAHLLOKOSA-N 346.346 2.468 30 40 EEEB Cc1nn(C2CCCC2)cc1/C=C/C(=O)c1c(O)[nH]c(=O)sc1=O 71785164 YNNASEGQNSBZNK-VOTSOKGWSA-N 347.396 2.018 30 40 EEEB CO[C@@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 225510990 PFXCPIDMRYPQPL-JSGCOSHPSA-N 334.395 2.000 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 96422139 FKOYWPBDZWXCPY-GMTAPVOTSA-N 326.274 2.144 30 40 EEEB C=C1CCN(c2cc(C#N)ccc2S(=O)(=O)N[C@@H](C)CC#N)CC1 1615046549 JYVVMOANMDBPJL-AWEZNQCLSA-N 344.440 2.295 30 40 EEEB Cn1cc(Cl)c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)n1 600100741 UBMGWTSGGSEBEF-UHFFFAOYSA-N 344.802 2.381 30 40 EEEB COC(=O)c1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1 12407546 FMBXAJRZVAYYSF-CQSZACIVSA-N 340.339 2.442 30 40 EEEB N#CC1(C(=O)N[C@@H]2COCc3c2cnn3C2CCOCC2)CCCC1 1614938038 QHLYDZMIPGWNFY-OAHLLOKOSA-N 344.415 2.006 30 40 EEEB N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)c1 47031937 AIXPNWFRFOIUHT-MRXNPFEDSA-N 345.424 2.267 30 40 EEEB Cc1ccc(C(=O)NC2CC2)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 55858750 PZRFXKCWHAHXGB-IBGZPJMESA-N 340.427 2.108 30 40 EEEB C#CCN1CCC(C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)CC1 72291566 MGOTXPLWDSOMOU-MRXNPFEDSA-N 341.455 2.195 30 40 EEEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)c2ccccc2)C1=O 58180319 AEKYNYKGESGPDT-IBGZPJMESA-N 333.347 2.208 30 40 EEEB COc1ccc2oc(C(=O)OCC(=O)N(C)CCC#N)c(C)c2c1 3282034 SXSFIAQDIJBRFB-UHFFFAOYSA-N 330.340 2.279 30 40 EEEB CC(C)NS(=O)(=O)c1cccc(CNc2ccc(C#N)cn2)c1 26708085 LVPJPTFROQUJQQ-UHFFFAOYSA-N 330.413 2.252 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CSCN1C(=O)C1CCC1 69566615 BCZNNSQABZLIPM-INIZCTEOSA-N 343.452 2.218 30 40 EEEB N#Cc1nn(CN2CCC3(CC2)OCCO3)c2ccc(Cl)cc12 69921414 FNIWLLKAZZZEIR-UHFFFAOYSA-N 332.791 2.358 30 40 EEEB O=C1Nc2ccccc2/C1=N\Nc1nn2cnnc2c2ccccc12 13923892 XNFOFGBYBQQRMD-UHFFFAOYSA-N 329.323 2.046 30 40 EEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 5216345 SDBGKGISJZKUGD-FJOSAAFMSA-N 338.454 2.006 30 40 EEEB Cc1ccc(-c2csc(C3=C(N)N(CCCO)CC3=O)n2)cc1 6939856 WYPXRHWKAGTRJT-UHFFFAOYSA-N 329.425 2.013 30 40 EEEB C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1ccc([N+](=O)[O-])cc1 6905135 OUXYHSJTTIYQJZ-LBPRGKRZSA-N 346.368 2.447 30 40 EEEB C[C@H](C#N)Sc1nnc(N2CCOCC2)n1Cc1ccccc1 7073389 GQROCTBAPSRNFK-CYBMUJFWSA-N 329.429 2.167 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1Cn1cccn1 71875401 OGECPWPWDDFQDV-AWEZNQCLSA-N 329.429 2.309 30 40 EEEB N#CCCN(c1ccc(F)cc1)S(=O)(=O)C[C@H]1CCCCO1 76937446 FFXYAFGYWNCETE-OAHLLOKOSA-N 326.393 2.445 30 40 EEEB CN1C[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CCC1=O 96415990 AOTYSKVFJJBDKF-GOSISDBHSA-N 348.406 2.224 30 40 EEEB C/C(=N/N=C1\NC(=O)[C@@H](CC(=O)O)S1)c1ccc(Cl)cc1 9189448 VYKAUZXSJNDTEF-SMUOPJFFSA-N 325.777 2.126 30 40 EEEB N#CC1(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)CCCC1 1565550431 CYDKPBVDEQYBHN-UHFFFAOYSA-N 329.444 2.321 30 40 EEEB CN(C)C(=O)NC1CC2(CCN(C(=O)C3(C#N)CCCC3)CC2)C1 1565544910 AIXKLMRHWIFISA-UHFFFAOYSA-N 332.448 2.113 30 40 EEEB O=C(/C=C/c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)Nc2ccccc21 316471 AJJYRWYJJMMKIT-WSSFADSRSA-N 337.331 2.228 30 40 EEEB CC(C)NC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1331025 GSIIWOHPUFIYRK-UHFFFAOYSA-N 343.408 2.494 30 40 EEEB CN(C)/C(N)=N/CC1(c2ccc(Br)cc2)CCOCC1 170914552 FPGJEWQJETYVIU-UHFFFAOYSA-N 340.265 2.374 30 40 EEEB O=C(CNc1cccc(C#Cc2cccs2)c1)N1CCOCC1 56163988 MMUUBTWPPDSDFF-UHFFFAOYSA-N 326.421 2.419 30 40 EEEB COc1ccc(N(C(=O)C[n+]2ccccc2)[C@@H]2COCC=C2C)cc1 1789849 FOWBBGNDQKDWOT-LJQANCHMSA-N 339.415 2.361 30 40 EEEB N#Cc1c(CSc2nnnn2C[C@H]2CCCO2)cn2ccccc12 58369546 QRGHPQQFYQDROX-CYBMUJFWSA-N 340.412 2.269 30 40 EEEB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1 23150253 FNMDCDMICCUWHI-UHFFFAOYSA-N 330.365 2.245 30 40 EEEB CC(C)[C@@H](C#N)N1CCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 69598766 YQZAWWMGQMWCHM-UKRRQHHQSA-N 349.866 2.228 30 40 EEEB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NC1(C#N)CCCC1 6586257 QZQIFNJYSQVXMR-UHFFFAOYSA-N 342.443 2.126 30 40 EEEB Cc1c(O)ccc2c(CSc3ncc(C#N)c(N)n3)cc(=O)oc12 8706032 UMBNQWRPFAGLKJ-UHFFFAOYSA-N 340.364 2.343 30 40 EEEB N#Cc1ccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1 16035315 DIKUFQVOUVRXTC-UHFFFAOYSA-N 347.330 2.195 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](c2ccccc2)C1 95403133 JWVKQQAPSXHJMO-AWEZNQCLSA-N 327.409 2.200 30 40 EEEB CCc1nnc(N(C)CC(=O)Nc2cccc(C)n2)c(C#N)c1CC 95972073 AXHURQWMGDJSRN-UHFFFAOYSA-N 338.415 2.251 30 40 EEEB COC(=O)CN(Cc1ccc(Cl)s1)C(=O)c1c[nH]c(C#N)c1 97233887 KTJQMTPCFXGSTP-UHFFFAOYSA-N 337.788 2.417 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)CC 252515402 JPIYBDSJJAMLLX-BFYDXBDKSA-N 335.425 2.223 30 40 EEEB Cn1cc([C@@H]2OCC[C@H]2CNc2c(C#N)nnc3ccccc23)cn1 591193122 NOBQAWAJYKGVEA-KPZWWZAWSA-N 334.383 2.425 30 40 EEEB C[C@H]1C[C@@H](OC[C@H](S)CN2CCN(CCO)CC2)CC(C)(C)C1 19361277 PURXJYWXKBULRX-GVDBMIGSSA-N 344.565 2.126 30 40 EEEB Cc1cc(=O)c(C(=O)OCC#N)nn1-c1cccc(C(F)(F)F)c1 5296282 SJUWALDMCOYOLQ-UHFFFAOYSA-N 337.257 2.240 30 40 EEEB N#Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 21959812 ZURYVCLQVQAOTN-UHFFFAOYSA-N 347.418 2.451 30 40 EEEB Cn1cc(Br)c(=O)c(NC(=O)c2cccc(C#N)c2)c1 97050186 LSXQYPVTZKFYTQ-UHFFFAOYSA-N 332.157 2.272 30 40 EEEB CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@]2(C#N)C(=N)O[C@]1(C)C2(C#N)C#N 102937410 KLXOIVABBVGCQQ-AGGDQXJMSA-N 348.362 2.273 30 40 EEEB C=CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C 24987199 PEUSORLIKUVWCV-UHFFFAOYSA-N 326.194 2.181 30 40 EEEB CC(=O)N[C@H](/C(O)=N/S(=O)(=O)c1ccccc1C)C1CCCC1 48425275 PRZUVGAMVZITTK-HNNXBMFYSA-N 338.429 2.335 30 40 EEEB CON/C=N\C(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 13136026 HRSXQTXRAIIRSK-UHFFFAOYSA-N 339.326 2.449 30 40 EEEB O=[N+]([O-])c1cc(-c2ccc(/C=N/n3cnnc3)o2)cc([N+](=O)[O-])c1 13144836 FCFOSPYQGNODQC-OMCISZLKSA-N 328.244 2.237 30 40 EEEB COC(=O)[C@H](CNc1nnc(C)c(C)c1C#N)Cc1ccc(O)cc1 69811236 QOLKZMJBAGCEHM-AWEZNQCLSA-N 340.383 2.115 30 40 EEEB Cc1ccc(NC(=O)COc2ncc([N+](=O)[O-])cc2C#N)cc1C 6584314 PKWFQLJLJHWUGK-UHFFFAOYSA-N 326.312 2.496 30 40 EEEB Cc1ccc([C@@H](NC(=O)Cn2cnnc2C#N)c2cccs2)cc1 8987219 IIOPXVSTIMPXOX-QGZVFWFLSA-N 337.408 2.426 30 40 EEEB N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(N)=O)CC2)nc1 70038384 GEHPCXNIBCGCRQ-MRXNPFEDSA-N 327.432 2.493 30 40 EEEB O=C1CSCN1C/C(O)=N/c1nc(-c2cccc(Cl)c2)n[nH]1 71853539 KKILVZCSJHSBBZ-UHFFFAOYSA-N 337.792 2.246 30 40 EEEB C#CCN1CCC(C(=O)Nc2ccc(Br)c(C)n2)CC1 72512181 GBLMUPJDASSDBP-UHFFFAOYSA-N 336.233 2.436 30 40 EEEB N#Cc1c(COC(=O)c2ccc3c(c2)NC(=O)CO3)cn2ccccc12 84606665 YXYMWCGXRFLVCM-UHFFFAOYSA-N 347.330 2.499 30 40 EEEB Cc1[nH]c(=O)ccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 95979684 HCMSVOYJBWMCBM-ZDUSSCGKSA-N 346.184 2.441 30 40 EEEB N#C[C@@H](c1ccccc1)N1CCN(CCOCC(F)(F)F)CC1 88523707 IYWLAIWTSQZHPW-HNNXBMFYSA-N 327.350 2.448 30 40 EEEB C[C@@H]1CN([C@@H]2/C(=N/O)[C@H]3CC[C@H]2C3)CCN1[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345287 NVGJHFALHAUOTL-QJHPQGCVSA-N 346.475 2.250 30 40 EEEB C=CC[C@H](CC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 281604589 SCONUODBYLHBLI-LBPRGKRZSA-N 331.459 2.032 30 40 EEEB COc1ccc(CCN/C(C)=C2/C(=O)C=C(C)OC2=O)cc1OC 102448901 XOTNEJHREATNEA-ATVHPVEESA-N 331.368 2.140 30 40 EEEB CCCCCCCCN(CCOCCO)C(=O)CCCC(=O)O 100924218 WGIOXGYCDDJUKW-UHFFFAOYSA-N 331.453 2.439 30 40 EEEB CC1=NOC(=O)/C1=C\c1ccc(OCC(=O)O)c(Br)c1 17299901 QAUGTKKWSRECGW-WTKPLQERSA-N 340.129 2.229 30 40 EEEB C=CCNC(=S)NCCCCCCCNC(=S)NCC=C 4180527 HGXXYJRAENHYLH-UHFFFAOYSA-N 328.551 2.237 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N\[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408526539 DINYYENRODCOOB-RTWORNNGSA-N 339.395 2.453 30 40 EEEB N#CC1(NC(=O)CN2CCCC[C@@H]2Cn2cccn2)CCCCCC1 69777810 SVFAQWJXWFBAMD-QGZVFWFLSA-N 343.475 2.470 30 40 EEEB N#Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 5342617 IQEAIFMCRCNMNE-IBGZPJMESA-N 333.347 2.288 30 40 EEEB Cc1cc(C)n(C[C@@H]2CN(CCOc3ccc(C#N)cc3)CCO2)n1 69351338 DHRTYDDKCHUNMJ-IBGZPJMESA-N 340.427 2.151 30 40 EEEB NC1=C(c2nc3ccccc3s2)C(=O)CN1/N=C/c1ccncc1 9452641 PKZVJNSJZCKWGK-AWQFTUOYSA-N 335.392 2.237 30 40 EEEB N#CCCCS(=O)(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984244 RRVUABHBMFWLRC-UONOGXRCSA-N 328.821 2.393 30 40 EEEB N#Cc1ccc(NCc2ccccc2OCCN2CCOCC2)cn1 80970577 AXUJAMYZAIDYKU-UHFFFAOYSA-N 338.411 2.276 30 40 EEEB Cc1ccc(C(=O)NC2CC2)cc1NCC(=O)NC1(C#N)CCCC1 55858772 PWDUQLGJTZWSLB-UHFFFAOYSA-N 340.427 2.252 30 40 EEEB CCc1ncnc(N2CC[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)c1F 1889078098 NJQLCDUWXYJJPG-HIFRSBDPSA-N 338.390 2.160 30 40 EEEB Cc1ccc(-c2n[nH]c(/N=C(\O)c3cccc4c3oc(=O)n4C)n2)o1 97049097 LCBSCIIGNMUREW-UHFFFAOYSA-N 339.311 2.454 30 40 EEEB C=CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C 409000580 YYPKHCFSZUQPHX-UVTDQMKNSA-N 328.324 2.453 30 40 EEEB CCCCN1C(=O)C(C#N)=NN(c2ccc(OC)cc2)[C@H]1OCC 3772043 QKCNCLZSOKCFGD-KRWDZBQOSA-N 330.388 2.344 30 40 EEEB CN1CCCC[C@@H]1CN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 69704499 OLJACPPUEOVMDU-MRXNPFEDSA-N 343.431 2.073 30 40 EEEB Cc1c(C#N)c(NC(=O)Cn2cnc(C#N)n2)n(C2CCCC2)c1C 14144612 WZJAWTLTYDJEMX-UHFFFAOYSA-N 337.387 2.194 30 40 EEEB C=CCN(C1CCCC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 65626079 VFTOUBGAJPNULU-UHFFFAOYSA-N 334.445 2.396 30 40 EEEB CCN(CC)CC#C[C@@H](C)OC(=O)c1cnc(-c2cnn(C)c2)s1 95429458 AAKOEUFSUUKGKU-CYBMUJFWSA-N 346.456 2.434 30 40 EEEB CO[C@](C)(/C(O)=N/S(=O)(=O)C[C@@H]1CCCCO1)c1ccccc1 78611973 UCMGLQNRBCPZGL-HOCLYGCPSA-N 341.429 2.404 30 40 EEEB Cc1ccc(-n2nc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc2C)cc1 132069120 DLMDIXFZKJVYHC-CYBMUJFWSA-N 339.399 2.188 30 40 EEEB N#C[C@]1(C=O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242538744 JDXNECAAZMFQKI-BBWFWOEESA-N 329.352 2.474 30 40 EEEB COC(=O)c1ccc(C(=O)NCC#CCN2CCCCCC2)cc1 85470567 YEJGDRXHVHCKQI-UHFFFAOYSA-N 328.412 2.082 30 40 EEEB COC(=O)COc1c(C)cc(/C=C/C(=O)c2cnn(C)c2)cc1C 65606749 VOUOCUXCNQHPPC-AATRIKPKSA-N 328.368 2.485 30 40 EEEB Cc1ccoc1C(=O)[C@H](C#N)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 100871440 GKNKCHOPVBEXED-UONOGXRCSA-N 328.368 2.128 30 40 EEEB O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2cccs2)c2ccccc21 316726 OLRYYCSNJGWOSC-NSHDSACASA-N 349.371 2.290 30 40 EEEB C=CCn1nnnc1SCC(=O)Nc1ccc(OC)c(Cl)c1 52895234 PTNDLKIMXMOMSW-UHFFFAOYSA-N 339.808 2.252 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C[C@H]2C=CCC2)CC1 47460685 MAQZDMYNADDPKJ-ZDUSSCGKSA-N 326.400 2.429 30 40 EEEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)[C@@H]3CCCO3)c2C#N)C1 3362605 QZXQVRLOCPOAQL-MFKMUULPSA-N 348.424 2.405 30 40 EEEB CCCn1c(=O)n(CC(=O)N(CC)C[C@H](C)C#N)c2ccccc21 48367376 HRSYTCBHSHRDPI-CQSZACIVSA-N 328.416 2.221 30 40 EEEB N#CCC[C@@H](C#N)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O 12894814 KZMLZTMVYBYVAH-VIFPVBQESA-N 331.719 2.402 30 40 EEEB C=C(Br)CNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 69845600 JRULRWZNJMLSRF-STQMWFEESA-N 343.265 2.440 30 40 EEEB C=CCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22935193 ZJBPEAAASVLWFU-UHFFFAOYSA-N 327.350 2.448 30 40 EEEB CN(C(=O)CN1CCC[C@@H]1[C@H](O)C(F)(F)F)C1(C#N)CCCCC1 69902578 KCQFPPWAXFHJKM-OCCSQVGLSA-N 347.381 2.059 30 40 EEEB CN(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 4004757 RSWIMESCJHXVEJ-LICLKQGHSA-N 348.384 2.059 30 40 EEEB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1sccc1C#N 6881790 INJOBNUKBOYGQG-UHFFFAOYSA-N 326.385 2.246 30 40 EEEB N#Cc1cnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc1N 6978151 WWQCUBCZJSQICY-CQSZACIVSA-N 339.424 2.386 30 40 EEEB C=CCC[C@H](O)CN1CCN(c2ccc(Br)cn2)CC1 95966187 PUFJPJYMPLITFZ-AWEZNQCLSA-N 340.265 2.293 30 40 EEEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)CCC 217439124 LDUSBANJARHLMZ-LLVKDONJSA-N 326.418 2.450 30 40 EEEB C[C@H](CC#N)N(C)S(=O)(=O)N1CC=C(c2ccccc2F)CC1 225753736 NAYMDOLZSCRLRL-CYBMUJFWSA-N 337.420 2.394 30 40 EEEB N#CC1(CNC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CCCC1 593775016 JOCPLIWJLTWCFX-UHFFFAOYSA-N 340.358 2.185 30 40 EEEB N#Cc1nc(NC(=O)c2ccc(N3CCCCCC3)nc2)[nH]c1C#N 30113606 KQDGWZSVLURBAR-UHFFFAOYSA-N 335.371 2.181 30 40 EEEB C=CCn1c(N)nnc1S[C@@H](C(=O)NC(C)C)c1ccccc1 31655905 VUMLIOFHFFYAFP-CYBMUJFWSA-N 331.445 2.404 30 40 EEEB CCOc1ccccc1NC(=O)CSc1ncc(C#N)c(N)n1 7045601 CKKCTIBYAVMAPA-UHFFFAOYSA-N 329.385 2.060 30 40 EEEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCO)cc1 102798854 MOKAQXHDEUPJSX-HVESIFNPSA-N 337.375 2.409 30 40 EEEB C=CCc1ccccc1OC[C@H](O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 58017812 JVWUCIUEDZXURM-ZACQAIPSSA-N 341.407 2.106 30 40 EEEB N#Cc1ccccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 3592830 XGAZHQMAIVHGQY-UHFFFAOYSA-N 340.383 2.142 30 40 EEEB COC(=O)c1cccn1C1CCN(c2nnc(C)c(C)c2C#N)CC1 69519984 ZVGNVRKVTYDIIS-UHFFFAOYSA-N 339.399 2.395 30 40 EEEB Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc(C#N)cc2)CC1 65477036 BHUNHLJMWBZJAF-UHFFFAOYSA-N 337.383 2.492 30 40 EEEB COc1ccc(C#N)c(NS(=O)(=O)c2c[nH]c3ncccc23)c1 83927851 DLPDOGDJVHDIPZ-UHFFFAOYSA-N 328.353 2.244 30 40 EEEB Cc1cc(S(=O)(=O)/N=C(\O)c2cnn(C)c2)c(Cl)cc1F 95416871 LBTJEPXYUOBKKJ-UHFFFAOYSA-N 331.756 2.215 30 40 EEEB N#CCCCCN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95999726 HMOPESJCVWNRPI-LJQANCHMSA-N 340.471 2.493 30 40 EEEB CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(CCO)CC1 30882484 ITEREEYPHAIAQL-QYZOEREBSA-N 347.503 2.281 30 40 EEEB biogenic,in-vitro C#CCOC(=O)c1cc(-n2cccc2)ccc1N1CCN(CC)CC1 226278230 KCLDMJCERRDWHA-UHFFFAOYSA-N 337.423 2.409 30 40 EEEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccc2c1OCCO2 96042041 QNFAKXAOHSBCNA-QILLFSRXSA-N 345.395 2.032 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 40512069 PGNMXNZVNLZVPY-UHFFFAOYSA-N 347.378 2.258 30 40 EEEB CN(C)c1cc(C(=O)[C@H](C#N)C(=O)c2nccn2C)c2ccccc2n1 102294582 MYXSMPDDWISKFP-AWEZNQCLSA-N 347.378 2.240 30 40 EEEB Cn1cc(C#N)cc1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 97013120 ZCLXYGMUGPSMEB-HNNXBMFYSA-N 337.301 2.077 30 40 EEEB C=CCOc1ccc(CN(C)C(=O)c2ccnc(-n3cncn3)c2)cc1 54704804 AQBYDMCSOGINHU-UHFFFAOYSA-N 349.394 2.499 30 40 EEEB C=CCc1ccccc1OC[C@@H](O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 58017815 JVWUCIUEDZXURM-YESZJQIVSA-N 341.407 2.106 30 40 EEEB C=CCn1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1C 100765361 RTQCYFGSAGERHM-IAGOWNOFSA-N 341.459 2.126 30 40 EEEB C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(C)C)cc1 48332775 IJSSHJJPSQQPES-INIZCTEOSA-N 336.457 2.412 30 40 EEEB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)c1 5485645 UBTDWZQZYSYRPZ-GIJQJNRQSA-N 330.413 2.048 30 40 EEEB C/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc(C)c([N+](=O)[O-])c1 6846499 WRBDSJMTKWMOBM-VVBXCHJUSA-N 336.417 2.270 30 40 EEEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc3c(c2)OCO3)n1 16684516 KWGZAABMVYEOOK-LLVKDONJSA-N 344.348 2.214 30 40 EEEB C=C(Br)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 69590997 NCPSBDMHPFFUDY-CQSZACIVSA-N 339.189 2.371 30 40 EEEB CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1cccc(CC#N)c1 71908072 SGXCUBBQGDZMJV-OAHLLOKOSA-N 346.427 2.431 30 40 EEEB C#CCNC(=O)CC(=O)N(Cc1cccc(Br)c1)C1CC1 97235696 JDGRHOUYQHOTCA-UHFFFAOYSA-N 349.228 2.080 30 40 EEEB C=CCc1cc(C(=O)NCC(=O)NC(C)(C)C)cc(OC)c1OC 9721187 VKSNDUIURBNGRA-UHFFFAOYSA-N 334.416 2.077 30 40 EEEB CCN(C[C@H]1CN(Cc2ccccc2C#N)CCO1)c1cccnn1 84774656 RTQUZPKRAOWYKY-GOSISDBHSA-N 337.427 2.076 30 40 EEEB N#C[C@H](c1ccccc1)N1CCN(CCOC[C@H]2CCCO2)CC1 88524488 USZLDFKMUSEFRN-RTBURBONSA-N 329.444 2.064 30 40 EEEB C#CCOc1ccc(C(=S)N2CCOCC2)cc1Br 33734404 GDKFDXZJCGSZHV-UHFFFAOYSA-N 340.242 2.469 30 40 EEEB N#Cc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccco2)nn1 216780353 ZARUNCJFQVPZOR-SFHVURJKSA-N 335.367 2.322 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(C#N)CO)cc1 225634116 DXSQVZVQDKDNSR-OKZBNKHCSA-N 327.405 2.437 30 40 EEEB CN1C[C@H](c2ccccc2)[C@]2(CCN(c3ccc(C#N)cn3)C2)C1=O 96161465 UJQZYCVKOWQBAN-YLJYHZDGSA-N 332.407 2.406 30 40 EEEB C[C@H](O)[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 582772626 RSGOHDJIMSXSCG-UGSOOPFHSA-N 340.427 2.070 30 40 EEEB N#Cc1cccc(C(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)c1 245171835 XXEDDFUXZIUAEN-WKILWMFISA-N 347.378 2.340 30 40 EEEB O=C(/C(=C\N1CCCC1)c1nnnn1-c1ccccc1)C(F)(F)F 5280021 UIGZJKRATKVCJU-ZRDIBKRKSA-N 337.305 2.230 30 40 EEEB Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cnc([N+](=O)[O-])c2)c1 31804572 NQZHCCPZKVLHIZ-UHFFFAOYSA-N 327.344 2.355 30 40 EEEB Cc1cc(C)c2ncc(C#N)c(NC3CCN(CC(N)=O)CC3)c2c1 78878673 XHMWUZOVJOQBHD-UHFFFAOYSA-N 337.427 2.085 30 40 EEEB Cc1cc(C)n2nc(CCCNC(=O)NC[C@H]3C[C@@H]3C)c(C#N)c2n1 47066016 XMAJUAHWZQXBDQ-SMDDNHRTSA-N 340.431 2.106 30 40 EEEB CC/N=C1\S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CC 16755216 IAJLMWPTQPYUOT-VLUKHXRESA-N 335.429 2.364 30 40 EEEB C=CCN(Cc1cccs1)C(=O)c1c[nH]c2c(cnn2C)c1=O 97080352 NDJMOXQMAJYOSP-UHFFFAOYSA-N 328.397 2.152 30 40 EEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 36784496 HRUCQSQIONJSOK-IBGZPJMESA-N 330.347 2.397 30 40 EEEB N#Cc1nc(-c2cccc3ccccc23)oc1N1CCN(CCO)CC1 16742552 VCWJFJJOKKKWKV-UHFFFAOYSA-N 348.406 2.481 30 40 EEEB CN1c2ccsc2/C(=N/Nc2ccc(F)cc2)CS1(=O)=O 4013705 MAMWVCXSLGYIGA-LFIBNONCSA-N 325.390 2.483 30 40 EEEB O=C1O[C@]2(C(=O)Nc3ccccc32)C(C(=O)c2ccc(F)cc2)=C1O 66087577 NIWQWHOYMFCQAV-SFHVURJKSA-N 339.278 2.225 30 40 EEEB CCCOc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](CC(=O)O)S2)cc1 6779041 KMVAFZSUNQYANV-HVOBPNNYSA-N 349.412 2.262 30 40 EEEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C)cc1 4964451 NUHLRNDCKTWELN-GZTJUZNOSA-N 348.384 2.387 30 40 EEEB CSc1nc2n(n1)[C@@H](c1cn(C)nc1C)C1=C(CCCC1=O)N2 6921593 MDTGNJAHFUMBRW-ZDUSSCGKSA-N 330.417 2.064 30 40 EEEB C=CCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8041667 BRNIPFHSOBUKTC-UHFFFAOYSA-N 330.837 2.188 30 40 EEEB C[C@@H](CNc1oc(-c2cccc(F)c2)nc1C#N)N1CCOCC1 96346191 WJAMKUCSTSGICM-LBPRGKRZSA-N 330.363 2.485 30 40 EEEB CCN(C[C@H]1CN(Cc2ccc(C#N)cc2)CCO1)c1cccnn1 84774649 NSAMIBLOYXQMBW-GOSISDBHSA-N 337.427 2.076 30 40 EEEB N#Cc1csc(CNCCNC(=O)c2n[nH]c3ccccc23)c1 95406756 WBRAHCYXUXAPDN-UHFFFAOYSA-N 325.397 2.016 30 40 EEEB Cc1cc(C)c2cc(C#N)c(NCCNC(=O)CCC(=O)O)nc2c1 35311710 DGFXAIHYDWQHLU-UHFFFAOYSA-N 340.383 2.116 30 40 EEEB CC/N=C(/NCc1ccon1)N[C@@H](C)c1cccc(-n2cncn2)c1 96462454 AWZQBUVDIPSTSB-ZDUSSCGKSA-N 339.403 2.072 30 40 EEEB C=CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1OC)C2 96039742 FPECYLSVAOETKQ-APWZRJJASA-N 346.427 2.304 30 40 EEEB CCOC(=O)[C@@H](c1nc(Br)sc1C)N(C)CC#N 585117268 WZRXMJQNLKNPCD-SECBINFHSA-N 332.223 2.274 30 40 EEEB N#Cc1ccc(CNS(=O)(=O)c2cc(F)cc(F)c2)c(F)c1 69631334 FXJMTFFRCYFJCG-UHFFFAOYSA-N 326.299 2.454 30 40 EEEB N#Cc1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1Cl 89769849 DYCMYKMYXNTLND-UONOGXRCSA-N 332.791 2.487 30 40 EEEB Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)N(C)C 151945566 GLPMVVWFLPCIHJ-UHFFFAOYSA-N 332.385 2.272 30 40 EEEB Cc1nnc(NCc2ccc(CN3CCOCC3)cc2)c(C#N)c1C 24054613 IWNSKELGQQAGJP-UHFFFAOYSA-N 337.427 2.409 30 40 EEEB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/N=C(/N)S)cc1 8680616 MSXJLGPMFXKMAX-LICLKQGHSA-N 349.437 2.341 30 40 EEEB aggregator N#Cc1cccc(CNC(=O)NCc2cccnc2-n2ccnc2)c1 42324908 HFFFGUZEZSSLCZ-UHFFFAOYSA-N 332.367 2.138 30 40 EEEB Cc1cnc(C(=O)N2CCN([C@@H](C#N)C3CCCCC3)CC2)cn1 57232797 MBLZWNBEHRXARF-KRWDZBQOSA-N 327.432 2.015 30 40 EEEB C=CCNC(=O)[C@@H](C)N1CCC(C(=O)c2ccc(OC)cc2)CC1 14327206 MZDCHTREHBOVRP-CQSZACIVSA-N 330.428 2.281 30 40 EEEB CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 14737263 JBQGIAQEIGKUNC-UHFFFAOYSA-N 331.353 2.287 30 40 EEEB CC(C)(C)[C@@H](C#N)NC(=O)c1cnn2cc(Br)cnc12 92421936 ONOHPBUXRJYYTD-SNVBAGLBSA-N 336.193 2.160 30 40 EEEB N#Cc1ccc(N2CC[C@H](NC[C@@H]3CCCn4ccnc43)C2=O)cc1 89780992 VPEUIVQMGIGOGU-RDJZCZTQSA-N 335.411 2.027 30 40 EEEB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(N)=S)cc1 409007962 SNSZQPACRGSCMA-VXLYETTFSA-N 342.424 2.180 30 40 EEEB CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1C#N 330032619 PWTSHNYKJXUKDK-UHFFFAOYSA-N 345.380 2.330 30 40 EEEB C#CCCN1CCN(C(=O)c2ccc(OC3CCOCC3)cc2)CC1 96426344 CBOUSIVUIHCMCR-UHFFFAOYSA-N 342.439 2.026 30 40 EEEB Cn1ncc(C2CCC2)c1CNS(=O)(=O)c1ccc(C#N)cc1F 594871385 ZRRYNJYTKCKRFQ-UHFFFAOYSA-N 348.403 2.177 30 40 EEEB CS(=O)(=O)/N=C(\O)C1(c2ccc3c(c2)OCCO3)CCCC1 48480342 HDFAULFQVAPVDK-UHFFFAOYSA-N 325.386 2.186 30 40 EEEB C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@@H](C)[C@@H](O)[C@H]3[C@H]1O)C2(C)C 1529051585 SDBITTRHSROXCY-RFUIOQCUSA-N 334.456 2.233 30 40 EEEB N#C/C(=N\Nc1ccccc1C(F)(F)F)C(=N)N1CCOCC1 66827 DBXMPGWXGUAONP-RARWTCAYSA-N 325.294 2.306 30 40 EEEB CCOc1cc(/C=N/Nc2nc(=O)c(C(C)(C)C)n[nH]2)ccc1O 16776926 POKONMUREYDUCA-RQZCQDPDSA-N 331.376 2.013 30 40 EEEB CS[C@@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 40525064 XJVROKUNOALGRN-LBPRGKRZSA-N 343.456 2.126 30 40 EEEB Cc1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)cn1 97053964 KXHSDTDUBWYXDI-UHFFFAOYSA-N 335.816 2.436 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(O)cc1 103874357 NECDYWDXGYMKNC-DPEHCCBOSA-N 343.335 2.053 30 40 EEEB N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccccc1Cl 20135565 ZZPLLSTZASXRJO-UHFFFAOYSA-N 343.799 2.305 30 40 EEEB NC(=O)COc1ccc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)cc1 409213847 VJUJAHBJQLOMEQ-UWVJOHFNSA-N 347.758 2.348 30 40 EEEB C=CCNC(=O)NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 4485572 HFKIBDDJHXEBCB-UHFFFAOYSA-N 344.440 2.413 30 40 EEEB C=CCN1C(=O)c2ccc(C(=O)NOCc3ccccc3)cc2C1=O 8096933 JGYWYTJADGPIFT-UHFFFAOYSA-N 336.347 2.330 30 40 EEEB N#Cc1ccsc1NC(=O)COc1ccc(Cl)cc1C(N)=O 16662351 ZJQJIGKXXNAAEM-UHFFFAOYSA-N 335.772 2.390 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C 69414999 FEIFGAAONHHRLX-SFHVURJKSA-N 339.439 2.313 30 40 EEEB COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2)c1 71803497 MWSOIQCRIVBYIP-NSHDSACASA-N 339.351 2.088 30 40 EEEB C#CCOc1ccccc1CNC(=O)NC[C@](C)(O)c1cccs1 95399911 VPFFLHNNLACUSU-SFHVURJKSA-N 344.436 2.467 30 40 EEEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218400235 KZDUVAMHEDGNLN-OKZBNKHCSA-N 326.421 2.464 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 87236767 VBJUDHUCXJDYAR-KRWDZBQOSA-N 344.415 2.220 30 40 EEEB C[C@@]1(CO)CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1C#N 95442323 ZKSGKVSSMBKHKW-KGLIPLIRSA-N 328.821 2.041 30 40 EEEB Cn1c(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)nnc1C1CC1 585113320 ISUAHCWMEOTYRO-OAHLLOKOSA-N 336.399 2.172 30 40 EEEB N#Cc1cccc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c1 5259918 MIWKLVILWUYJDI-UHFFFAOYSA-N 346.350 2.426 30 40 EEEB CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccc(N)cc2)cc1 1768816 ACVIFLYBODRLPE-CPNJWEJPSA-N 346.456 2.427 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 289870 BZGJRLPALQTYDX-CYBMUJFWSA-N 344.323 2.059 30 40 EEEB C[C@H](O)CN1CCC(CN(C)Cc2cn3ccccc3c2C#N)CC1 69658766 XCDFVWXVUXSTAC-INIZCTEOSA-N 340.471 2.336 30 40 EEEB NC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc2ncsc2c1 100844075 MZGNHVJYXSOJKJ-XSFVSMFZSA-N 336.380 2.383 30 40 EEEB CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nncn1C 46962595 WANBKPKDCNVTAE-ZDUSSCGKSA-N 326.404 2.370 30 40 EEEB C=CCOC(=O)[C@@]12C[C@@](C)(OC(C)=O)[C@H]1c1ccccc1OC2=O 4114257 OXEJIIKLRXTAFZ-ZTFGCOKTSA-N 330.336 2.130 30 40 EEEB COCc1ccc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 14186244 PEUBAUDNYVVBHW-ACJLOTCBSA-N 332.400 2.433 30 40 EEEB CC1CCN(CC(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)CC1 95966533 DODRUCPKSABMSH-SFHVURJKSA-N 337.427 2.285 30 40 EEEB O=C(COc1ccc(/C=N\Nc2ccccc2)cc1)N1CCOCC1 409016247 SXJLYERZBGVRLR-ZHZULCJRSA-N 339.395 2.370 30 40 EEEB COCCS(=O)(=O)/N=C(\O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 78986268 SJONPJHBIPMACG-VIFPVBQESA-N 348.402 2.008 30 40 EEEB C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 195530442 LVVFCECIBYUMAR-CRAIPNDOSA-N 327.428 2.190 30 40 EEEB C#CCOc1cccc(CN2[C@H]3CC[C@@H]2Cc2nc(C)[nH]c(=O)c2C3)c1 19286374 MACAEQPCSDDUPT-DLBZAZTESA-N 349.434 2.222 30 40 EEEB C=CCCC(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440929 WDMBNUBFDQQAEK-LLVKDONJSA-N 326.194 2.185 30 40 EEEB CC[C@@H]1Cc2c(nc(N)c3c(N)nc(N(CC)CC)c(C#N)c23)O1 20268334 NXOFKTRYGXSRCY-SECBINFHSA-N 326.404 2.226 30 40 EEEB N#CC1(COC(=O)c2cnn(Cc3ccccc3)c2)CCOCC1 97056651 KSUTWNCNLASWPO-UHFFFAOYSA-N 325.368 2.409 30 40 EEEB N#Cc1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 7046651 YKSOLQXUNYDXSY-UHFFFAOYSA-N 325.368 2.206 30 40 EEEB C[C@]1(c2ccc(F)cc2Br)NC(=O)N(CCC#N)C1=O 67785196 ZTQSIJIRPOQKTE-CYBMUJFWSA-N 340.152 2.269 30 40 EEEB N#Cc1ccc(OC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 97219619 GMAYASMYKBFRTR-HNNXBMFYSA-N 338.363 2.262 30 40 EEEB N#Cc1ccc(S(=O)(=O)CCn2nc(C3CC3)nc2C2CC2)cc1 95438952 KDTIKMIYTWXBEW-UHFFFAOYSA-N 342.424 2.378 30 40 EEEB N#Cc1ccc(OC2CN(C(=O)c3ncoc3[C@@H]3CCCO3)C2)cc1 95943076 JPFYIXUPYYGLIN-HNNXBMFYSA-N 339.351 2.301 30 40 EEEB CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC#Cc2ccccc2)C1 78075802 DPUJRUDSASHZCV-SFHVURJKSA-N 341.455 2.232 30 40 EEEB COc1ccc(C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1OC 5918263 JXRIOJCNYIREKV-UHFFFAOYSA-N 327.292 2.255 30 40 EEEB Cc1ccc(NC(=O)/C=N/O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 32814262 QWBFVALTLJNHKQ-UWONZBIMSA-N 330.344 2.260 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1C#N 810884 FNQFZFIVTGSENO-UHFFFAOYSA-N 345.786 2.467 30 40 EEEB N#Cc1cnc(SCC(=O)N(Cc2ccsc2)C2CC2)nc1N 58215821 GPQHWZPKMWPVQH-UHFFFAOYSA-N 345.453 2.275 30 40 EEEB C=CCNC(=O)CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 58344186 HMEVOBXBTDYULC-CQSZACIVSA-N 344.390 2.357 30 40 EEEB COc1cccc(/C=N/Nc2nn3cnnc3c3ccccc23)c1O 4880237 WDHBIANOOALAIX-GIJQJNRQSA-N 334.339 2.438 30 40 EEEB Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)N2CCOCC2)o1 24573471 GOXAORZWSLTANQ-KRWDZBQOSA-N 339.395 2.263 30 40 EEEB CC(C)C[C@H](NC(=O)c1sccc1C#N)C(=O)Nc1cc[nH]n1 84295312 PELKWNGBPSDDNC-NSHDSACASA-N 331.401 2.126 30 40 EEEB C=CCS(=O)(=O)/N=C(\O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 89286897 ORMAEOOEQGADKD-SNVBAGLBSA-N 342.804 2.165 30 40 EEEB N#CCCN(CCC#N)C(=O)COc1ccccc1Br 31655732 TUWGUEMELOUJJF-UHFFFAOYSA-N 336.189 2.484 30 40 EEEB CCc1cc(CN/C(=N/C)N(C)Cc2ccc3c(c2)OCCO3)on1 87173387 JUHGJZVMFYULJO-UHFFFAOYSA-N 344.415 2.216 30 40 EEEB N#Cc1cccnc1NCCNS(=O)(=O)c1cc2ccccc2o1 96461078 FQNRMUHIVQMIIQ-UHFFFAOYSA-N 342.380 2.090 30 40 EEEB C#CCN1C(=O)S/C(=C\c2cn(CC(=O)O)c3ccccc23)C1=O 15012783 RNXKVUCQJXZJQZ-ZSOIEALJSA-N 340.360 2.395 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 1888842978 WVYYCKCCNBZSBY-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB CCn1ncc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C#N)CCC2 2782084 VFVGZCDKYXREIA-UHFFFAOYSA-N 331.357 2.485 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 103508190 VHRHGXZNTJOSPW-SJORKVTESA-N 348.358 2.209 30 40 EEEB Cc1cc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)no1 106821317 JOGWXASKKPKAHO-CRAIPNDOSA-N 327.384 2.432 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC[C@H]2CCCO2)cc1 10524326 JINNWMFEWZJTOC-PYUISTEWSA-N 345.395 2.103 30 40 EEEB Cc1ccc(F)cc1NC(=O)/C=N/OCc1ccc(C(N)=O)cc1 58500161 WPEJMLOOQDJTHT-AWQFTUOYSA-N 329.331 2.374 30 40 EEEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 5342408 LBDWQOGLKVUGDZ-CRQJOFGKSA-N 338.454 2.088 30 40 EEEB C=CCc1ccccc1OC[C@H](O)CSc1nnnn1C1CC1 14238406 UFVGYWDBVDJDGO-AWEZNQCLSA-N 332.429 2.269 30 40 EEEB C=CCn1c(SCCOC(=O)N(C)C)nnc1-c1ccncc1 96010369 FHKSLCFBMGWVBV-UHFFFAOYSA-N 333.417 2.316 30 40 EEEB CC(C)c1nc(CN2CCCN(c3ccc(C#N)cn3)CC2)no1 70011800 XECZZIIYFHUJQF-UHFFFAOYSA-N 326.404 2.172 30 40 EEEB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1c1nnc(C)c(C)c1C#N 69668710 SEPAXAOSXWHJLT-JKSUJKDBSA-N 327.432 2.335 30 40 EEEB CS(=O)(=O)N(Cc1noc(-c2ccoc2)n1)c1ccc(C#N)cc1 69843824 CCJCBDJUMJMODM-UHFFFAOYSA-N 344.352 2.167 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NCCCc2nc3ccccc3[nH]2)c1 72291084 ANJRFDIDNLRUEV-UHFFFAOYSA-N 346.390 2.232 30 40 EEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)CO)cc1 218092185 QZSAYYAREXRYAD-KZNAEPCWSA-N 343.404 2.137 30 40 EEEB O=[N+]([O-])c1ccc(N/N=C/Cc2nnnn2-c2ccc(F)cc2)cc1 5253181 YKPDVNZGAREXOQ-LICLKQGHSA-N 341.306 2.350 30 40 EEEB CCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)C(F)(F)F 13408102 XMCQLSSJDPERIH-MFOYZWKCSA-N 333.222 2.057 30 40 EEEB N#Cc1nc(COc2ccccc2F)oc1NCCN1CCOCC1 19973726 NXHVFXFBYWUYCW-UHFFFAOYSA-N 346.362 2.008 30 40 EEEB COC(=O)c1cccn2cc(COC(=O)c3ccc(C#N)cc3)nc12 10486558 DHXDLIXWYXHTTF-UHFFFAOYSA-N 335.319 2.350 30 40 EEEB COc1ccc([C@H]2c3cnn(C(C)C)c3NC(=O)[C@@H]2[N+](=O)[O-])cc1 100253267 GSGRGWRZNNSBJZ-UONOGXRCSA-N 330.344 2.202 30 40 EEEB N#Cc1ccc(CN2CCN(C(=O)/C=C/c3nccs3)CC2)cc1 40554902 RMFRCGQQKRHREY-AATRIKPKSA-N 338.436 2.372 30 40 EEEB O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 101392913 XPWMCEMAGBMXJG-XYOKQWHBSA-N 325.276 2.188 30 40 EEEB C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(N)=O 2645407 MGUGOCZGUCYGKE-JTQLQIEISA-N 336.392 2.148 30 40 EEEB C[C@H]1CN(C(=O)C(C)(C)c2cccc(C#N)c2)C[C@H]1N1CCOCC1 76052930 YXLNFHYGNKACPW-MAUKXSAKSA-N 341.455 2.015 30 40 EEEB C[C@]1(c2ccc(S(=O)(=O)c3ccccc3)cc2)OC(=O)C=CC1=O 1612890 ZUEDHGFMYZPXJX-GOSISDBHSA-N 342.372 2.417 30 40 EEEB CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 7386336 DZBOBVWYQFRUEW-ZDUSSCGKSA-N 329.400 2.160 30 40 EEEB N#Cc1ccc(N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)nc1 57139879 QWLSMEAGUWBWFS-UHFFFAOYSA-N 327.319 2.327 30 40 EEEB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)/N=C3/NCCS3)C2)c1 44814635 MBBUTUCMRMHCGE-CQSZACIVSA-N 345.468 2.375 30 40 EEEB C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccsc3)oc2C)C1=O 69385147 HVGIICBAJZWQDM-UHFFFAOYSA-N 331.353 2.188 30 40 EEEB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)COc1ccc(CC#N)cc1 69528666 BKLFRFXIJCIGRT-ROUUACIJSA-N 327.428 2.217 30 40 EEEB COC[C@H](C)n1ccc(N/C(O)=N/C[C@@H](O)c2cc(C)cc(C)c2)n1 330033326 ZEPRYJBCINCFPK-GOEBONIOSA-N 346.431 2.767 30 40 EEEB C=CC[C@H]1N(C(=O)CCn2cnc3c(N)ncnc32)CCCC1(C)C 614054042 AVCZAEIHPLTQGY-CYBMUJFWSA-N 342.447 2.392 30 40 EEEB CCCn1nc(C(=O)Nc2sc3c(c2C#N)CCC3)ccc1=O 69610742 AYLFZXIRXMRMKL-UHFFFAOYSA-N 328.397 2.327 30 40 EEEB CCc1nnc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)o1 32893568 QRJHTWAJCALKLP-UHFFFAOYSA-N 325.416 2.212 30 40 EEEB Cn1c(CO)nnc1SCc1ccc(C#N)cc1Br 97046772 OIFNNPFCMLEFIV-UHFFFAOYSA-N 339.218 2.234 30 40 EEEB CCOc1cc(/C=N/N2CCOCC2)cc(Br)c1O 3252067 NQESWKNQEYZDAX-OQLLNIDSSA-N 329.194 2.220 30 40 EEEB C=CCNC(=O)NC(=O)CN(CC=C)Cc1ccc(Cl)s1 14240917 VPGQXLRCCDPDJE-UHFFFAOYSA-N 327.837 2.401 30 40 EEEB C[C@H](c1cccnc1)N1C(=O)C[C@H](N(C)Cc2ccc(C#N)cc2)C1=O 66584457 BCPYPJCFCJSFSD-KDOFPFPSSA-N 348.406 2.274 30 40 EEEB Cc1cnc(C(C)(C)NC(=O)NCCNc2ncccc2C#N)s1 89702361 RAHWZDBAGDBBTD-UHFFFAOYSA-N 344.444 2.365 30 40 EEEB C=CCNC(=O)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 38511899 OJLXJKDXIBBMIP-UHFFFAOYSA-N 337.426 2.206 30 40 EEEB Cc1c(N2CCC[C@@H]2CN2CCOCC2)cc(C#N)cc1[N+](=O)[O-] 195570804 RFYJWFIIHWNLRJ-OAHLLOKOSA-N 330.388 2.076 30 40 EEEB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CN=c1nc[nH]cc1C#N)C2 1616038523 OTFRWVNIDLZINX-GJZGRUSLSA-N 343.431 2.360 30 40 EEEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)CC)cc1 48548673 YRCILAXMNRFSKQ-LBPRGKRZSA-N 325.434 2.413 30 40 EEEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)NC(C)C)c(=O)c21 12113549 RGABANWUSASNAX-UHFFFAOYSA-N 344.440 2.432 30 40 EEEB O=C1/C(=C/c2ccco2)Oc2c1ccc(O)c2CN1CCOCC1 2218948 PCYJGOKGBOZYRM-YBEGLDIGSA-N 327.336 2.434 30 40 EEEB Cc1nc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)cs1 2086934473 RWPBTTKKNXWBRU-GJZGRUSLSA-N 325.441 2.286 30 40 EEEB C/C(=N/N=C1\NC(=O)[C@H](CC(=O)O)S1)c1cc2ccccc2o1 16136562 VUPQMUPQHFVPQF-OYZNXWOWSA-N 331.353 2.219 30 40 EEEB CN(C)C(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 1331072 JAOKAMRGNTXNRS-UHFFFAOYSA-N 329.381 2.058 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 100781517 GHIGRDADUISATB-LAIHZFQQSA-N 329.396 2.156 30 40 EEEB CC1=NN(C(=O)N/C(C)=C/C(=O)C(F)(F)F)[C@](O)(C(F)(F)F)C1 59489011 QYJGOSGNDMRRMX-HYYFJVDXSA-N 347.215 2.064 30 40 EEEB C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 55664167 XPOIMOAAZOOWQE-UHFFFAOYSA-N 346.408 2.412 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1OCCc2ccccc21 72230272 MNFVRDUYUAYVNU-MOPGFXCFSA-N 326.440 2.247 30 40 EEEB N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=O 2208845 ZXAMJAXSQNDTPC-UHFFFAOYSA-N 342.358 2.124 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 45419078 ZEZZWOUCKRDJBI-DHZHZOJOSA-N 349.390 2.094 30 40 EEEB C#CC(CC)(CC)NC(=O)CSc1nnc(-c2ccco2)n1C 14118416 OFTKKNUYEADKHD-UHFFFAOYSA-N 332.429 2.475 30 40 EEEB COc1cc(C#N)ccc1O[C@H](C)C(=O)NC(=O)NC1CCCCC1 5629771 PHQGHVRSGUBSAQ-GFCCVEGCSA-N 345.399 2.493 30 40 EEEB CN(CCC#N)C(=O)COC(=O)CSc1ccc(Cl)cc1 7737780 GSIYNQDEZQAIBR-UHFFFAOYSA-N 326.805 2.347 30 40 EEEB CN(CC(=O)Nc1ccccc1Cl)CC(=O)NC1(C#N)CCCC1 7912697 KMRNVHUMFHCAMF-UHFFFAOYSA-N 348.834 2.163 30 40 EEEB C=C(C)CN1CCC(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 71879792 DQEDXUGKLSXELL-UHFFFAOYSA-N 346.431 2.477 30 40 EEEB CS(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1 71326962 HSMAFRZJVUURKN-UHFFFAOYSA-N 347.421 2.088 30 40 EEEB N#Cc1cccnc1N1CCN(c2nc(C3CC3)nc3c2CCC3)CC1 333034048 NBUIIZLFIAISPW-UHFFFAOYSA-N 346.438 2.436 30 40 EEEB Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)c2ccccc2N)n1 14608427 DSPHSIGGJGUVHW-UHFFFAOYSA-N 347.382 2.294 30 40 EEEB N#CCC[C@H](C#N)CN1CCN(c2ccc(Br)cn2)CC1 30536522 NCXBWBQSTYIQJE-CYBMUJFWSA-N 348.248 2.410 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCc2c(C(N)=O)cccc21 40515601 UTDCDZQLMMPZLD-CYBMUJFWSA-N 349.390 2.404 30 40 EEEB CCN(C[C@H](C)C#N)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 76019406 NEPAULLGPCUXTM-LLVKDONJSA-N 344.383 2.234 30 40 EEEB N#CC1(C#N)C(C(=O)c2ccc(Br)cc2)C1(C#N)C#N 537267 ZBLODVMHVPRKDS-UHFFFAOYSA-N 325.125 2.329 30 40 EEEB CC(C)(C)OC(=O)N1CCN(CCCNc2ncccc2C#N)CC1 47538091 FXCQOCFDHSPBKR-UHFFFAOYSA-N 345.447 2.308 30 40 EEEB Cc1csc(N2CCN(c3nnc(C)c(C)c3C#N)C[C@H]2C)n1 106773679 ITTJWCNOWZPNPG-LLVKDONJSA-N 328.445 2.445 30 40 EEEB Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)on1 65623197 VZRIKGBNRXOLJF-ZDUSSCGKSA-N 342.380 2.009 30 40 EEEB CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)n[nH]c1=O 14244027 BBVFEZNGNBTFEA-LLVKDONJSA-N 345.428 2.362 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1 7055445 BBVCRMXSYQXWBN-UHFFFAOYSA-N 343.408 2.196 30 40 EEEB C/C(=N\NS(=O)(=O)c1ccc(CC(C)C)cc1)c1cnn(C)c1 17070508 LWALHQMSUUUPDD-QGOAFFKASA-N 334.445 2.321 30 40 EEEB COc1cccc(/C=C2/C(=O)c3ccccc3S(=O)(=O)N2C)c1O 9476979 VYNDNPJQWGFZPS-RAXLEYEMSA-N 345.376 2.259 30 40 EEEB CS[C@H](C)/C(O)=N/S(=O)(=O)c1cncc(Br)c1 78411398 GZOFJTWXEAKSAZ-ZCFIWIBFSA-N 339.236 2.241 30 40 EEEB CCc1nn(C)c(CC)c1CN/C(=N/C)NC[C@H](C)c1ccncc1 96484706 FXGHQDLXKSDZAX-AWEZNQCLSA-N 342.491 2.409 30 40 EEEB N#Cc1ncc(N2CC3(C[C@@H](Oc4ncccc4F)CS3)C2)cn1 247716242 NTXZXTDSRMWUPC-GFCCVEGCSA-N 343.387 2.026 30 40 EEEB C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1 154722659 GQPMFGSRHPVKGN-UHFFFAOYSA-N 347.806 2.284 30 40 EEEB CC/N=C(\NCC)NCc1cccc(C(=O)NCc2ccco2)c1 69656040 IVEQEBDBFLSNOS-UHFFFAOYSA-N 328.416 2.285 30 40 EEEB C#Cc1cccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 42635083 MKRLHVAWUDTYGC-HNNXBMFYSA-N 337.301 2.180 30 40 EEEB C#CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 11064273 XLTLSYBVXUPBEF-UHFFFAOYSA-N 334.832 2.460 30 40 EEEB CCCc1cc(=O)[nH]c(SCC(=O)NC2(C#N)CCCCC2)n1 11443578 FGILWSPITLQNEJ-UHFFFAOYSA-N 334.445 2.157 30 40 EEEB C#CCN1CCC[C@H]1C(=O)NCC1(c2cccc(F)c2)CCOCC1 65575238 ZRYFJSBJONQIHB-SFHVURJKSA-N 344.430 2.088 30 40 EEEB CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 20236584 GUILBYKALKSNPK-UHFFFAOYSA-N 343.408 2.157 30 40 EEEB C#CCn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc21 112254635 RJDQBUWPUXBBEM-ASSVNYGOSA-N 343.386 2.416 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@@H](O)C2CCCC2)c(Cl)c1 96001978 HRCYDGNHPSRSTA-CYBMUJFWSA-N 328.821 2.041 30 40 EEEB C#CCN(Cc1cccc(C)n1)C(=O)c1cn(-c2ccccc2)nn1 72303815 ZIVUKTZHXJLZGY-UHFFFAOYSA-N 331.379 2.246 30 40 EEEB Cn1ccnc1C(=O)[C@@H](C#N)c1nc2scc(C3CC3)c2c(=O)[nH]1 95455128 PDTZUQIWYXQSMB-SECBINFHSA-N 339.380 2.086 30 40 EEEB C[C@H](NCC(=O)N(C)Cc1cc(C#N)ccc1F)[C@@H](C)n1cccn1 75133873 RALFOSCMPPBWSZ-UONOGXRCSA-N 343.406 2.092 30 40 EEEB CCOc1cc(/C=N\n2nnnc2N)ccc1OCc1ccccc1 33600564 RXSYXHBOXFGSSH-ODLFYWEKSA-N 338.371 2.115 30 40 EEEB C=CCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F 257327238 XAPBRTFULAPXOB-PBHICJAKSA-N 334.391 2.054 30 40 EEEB CO[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 96428733 GSVHMZHZWDUQQB-KRWDZBQOSA-N 330.409 2.365 30 40 EEEB Cc1cc(N(C)CC(=O)NC2CC2)n2c(nc3ccccc32)c1C#N 25251884 KWBQPWJSVUXMKG-UHFFFAOYSA-N 333.395 2.382 30 40 EEEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)/C1=C1\C=CC=CN1 32110883 ILTKWYVVKTZEIJ-KAMYIIQDSA-N 342.395 2.320 30 40 EEEB CCCn1c(O)nnc1S[C@H](C)C(=O)Nc1ccccc1C#N 3534604 GZMYSKZFJVCJSF-SNVBAGLBSA-N 331.401 2.385 30 40 EEEB Cc1cc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n(CCC#N)n1 69704657 YFTACHLPLVKZEH-OAHLLOKOSA-N 337.427 2.491 30 40 EEEB COc1cc(N(C)C)ccc1C=Nn1c(O)nc2ccccc2c1=O 409361537 SKOZONICTWSCKD-UHFFFAOYSA-N 338.367 2.059 30 40 EEEB N#Cc1ccc(OCCN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 8890398 SAZFWLUWRXTANA-FQEVSTJZSA-N 347.374 2.331 30 40 EEEB CCOc1ccc(C(C)=O)cc1Cn1nc(C)c(C)c(C#N)c1=O 7442037 NOHGUAXDEWWONY-UHFFFAOYSA-N 325.368 2.381 30 40 EEEB Cc1cccc(C(=O)N[C@@](C)(C#N)Cn2cc(Br)cn2)n1 72298008 RZWWPJAJEMQWMW-AWEZNQCLSA-N 348.204 2.061 30 40 EEEB N#Cc1cc(C#N)c(SCC(=O)Nc2cccc(F)c2)nc1N 19851822 FHUWIDGAIYJFHT-UHFFFAOYSA-N 327.344 2.277 30 40 EEEB N#C[C@@]1(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)CCSC1 96459211 MMSSNVODGCGMSJ-KRWDZBQOSA-N 343.383 2.106 30 40 EEEB COC(=O)CN(CC#N)C(=O)c1cccc(Br)c1Cl 97235969 KILMKYRXLOIEAE-UHFFFAOYSA-N 345.580 2.241 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)N2CCC(n3ccnc3)CC2)c1 84340783 CCXNUHWWHLGTMP-UHFFFAOYSA-N 327.363 2.441 30 40 EEEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 408961165 AZTBQTDDZBOCLN-GARZTLJTSA-N 332.381 2.162 30 40 EEEB CCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 226859980 CCSSELBPZKMXNI-UHFFFAOYSA-N 338.429 2.209 30 40 EEEB Cc1cc(OC2CN(C(=O)c3cccc(C#N)c3)C2)cc(=O)n1C1CC1 253396196 DHSHDWBJGODNPN-UHFFFAOYSA-N 349.390 2.267 30 40 EEEB CCN(CC)[P+](NNC(N)=S)(N(CC)CC)N(CC)CC 5453892 SQKGYRPWJATFSX-UHFFFAOYSA-O 337.498 2.027 30 40 EEEB Cc1cnc(OC[C@]23CCC[C@@H]2CN(c2nccnc2C#N)C3)nc1 1888863544 NRUKHAFMVCXGDQ-RDTXWAMCSA-N 336.399 2.132 30 40 EEEB C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC)cc1 23624192 UVTBLVAPBIQLMY-UHFFFAOYSA-N 342.420 2.413 30 40 EEEB N#Cc1ccc(N2CCN(Cc3cccc4c3OCCO4)CC2)nc1 58185026 UZRNZIHRTXFLEW-UHFFFAOYSA-N 336.395 2.047 30 40 EEEB Cc1ccc(F)cc1S(=O)(=O)N(CCC#N)C[C@H]1CCOC1 69654487 LIIMQCMNCMQHKJ-CYBMUJFWSA-N 326.393 2.075 30 40 EEEB CC(C)C[C@](C)(C#N)NC(=O)CCN1C(=O)c2ccccc2C1=O 69621952 QYYRHEUUKCNRKT-GOSISDBHSA-N 327.384 2.117 30 40 EEEB O=C(O)Cn1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 4091412 FTAMQRRWPGJGID-CNHKJKLMSA-N 339.311 2.475 30 40 EEEB N#CCn1c(CSc2nnc(C3CC3)o2)nc2ccccc2c1=O 7289053 DMJICROARZERTR-UHFFFAOYSA-N 339.380 2.473 30 40 EEEB C/N=C(/NCc1noc(C)n1)NCc1ccccc1OC(F)(F)F 83151640 URXNMDRTXXIKPO-UHFFFAOYSA-N 343.309 2.142 30 40 EEEB C=CCSCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 71799942 UCDAPGINDWAJTG-UHFFFAOYSA-N 340.470 2.327 30 40 EEEB CCOc1cc(C#N)ccc1OCC(=O)N1CCN2CCCC[C@@H]2C1 71839916 KVXSKOGNVWOPQJ-MRXNPFEDSA-N 343.427 2.032 30 40 EEEB C[S@](=O)c1cccc(NS(=O)(=O)c2cccc(F)c2C#N)c1 71916110 BGJXLECUKIMYTI-OAQYLSRUSA-N 338.385 2.236 30 40 EEEB N#Cc1ccc(N2CC[C@@H](OC(=O)Cc3cccc(O)c3)C2=O)cc1 84374499 BFNAJNPQMBULFT-QGZVFWFLSA-N 336.347 2.155 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 78078756 LSSAMRCIYKCHHY-FQEVSTJZSA-N 349.434 2.418 30 40 EEEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 44973929 GKQJELHJNVWYCA-AWEZNQCLSA-N 341.367 2.022 30 40 EEEB C=CCOC[C@H]1CN(C(=O)C2=CCCC2)Cc2nnn(CC3CC3)c21 96045641 GFUSOJYGVQHUEZ-MRXNPFEDSA-N 342.443 2.427 30 40 EEEB CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nc(C#N)ccc2=O)cc1 1615054842 BFXJXNNCFQADOC-CQSZACIVSA-N 338.411 2.191 30 40 EEEB CCOc1cc(/C=N/NC(=N)N)ccc1OCc1ccccc1C#N 1410745 BNYMCEVZEVIVNS-SSDVNMTOSA-N 337.383 2.353 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/Cc3ccco3)C2=O)c1 5646541 XBDBUCYVUWNNEV-XKYMITNMSA-N 325.324 2.058 30 40 EEEB C=CCN1C(=O)N[C@@H]2c3cccc(OCC)c3O[C@@]1(C)[C@@H]2C(=O)OC 984653 YGPQEPIZTCXYKS-IYOUNJFTSA-N 346.383 2.235 30 40 EEEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)noc1C 7054238 NPDXVHROGJEDSM-UHFFFAOYSA-N 335.385 2.008 30 40 EEEB C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCC 59139846 ZEIZQYWJCYTIOE-UHFFFAOYSA-N 344.436 2.413 30 40 EEEB N#Cc1cccnc1NCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 57171696 CZUVAUHCMDAQJH-SFHVURJKSA-N 349.438 2.146 30 40 EEEB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1 58223668 QLDGTXRWSWHIMZ-GOSISDBHSA-N 343.475 2.438 30 40 EEEB CCC1([C@@](O)(C#CCN(CCO)CCO)c2ccccc2)CCCC1 2287068 RCRWYFXYCCMUGE-OAQYLSRUSA-N 345.483 2.135 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(Cc2ccc(SC)c(OC)c2)c1 68050278 IBWQKHUAQPZMJC-UHFFFAOYSA-N 344.392 2.285 30 40 EEEB CCCc1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[nH]n1 71796210 GXHXUVFOIGXECR-UHFFFAOYSA-N 337.427 2.192 30 40 EEEB C#CCN1CCC(C(=O)NCc2cc(OC)nc3ccccc23)CC1 96425939 HGZWZQRYHBKXRM-UHFFFAOYSA-N 337.423 2.205 30 40 EEEB N#Cc1ccc(F)cc1CNc1ccc(S(=O)(=O)CCO)cc1 97163436 ZRCRJAXLLRQTDD-UHFFFAOYSA-N 334.372 2.075 30 40 EEEB N#Cc1ccc(NC[C@H]2CCN(CC(=O)NCc3ccccc3)C2)nc1 65512119 MEAXEZJBTBEMCY-GOSISDBHSA-N 349.438 2.003 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1 225800800 DRPPWEMQQSLBNV-SECBINFHSA-N 334.788 2.357 30 40 EEEB C[C@@H](C#N)CN(C)c1nc2c(N(C)C[C@@H](C)C#N)ncnc2s1 585092807 OMSQJGPWZPKCKI-QWRGUYRKSA-N 329.433 2.278 30 40 EEEB Cn1cc(/C(N)=N/OCc2cc(Cl)c3c(c2)OCCCO3)cn1 77384706 KWVYRDNACXVCKE-UHFFFAOYSA-N 336.779 2.072 30 40 EEEB Cn1cc(-c2cncc(N3CCN(c4ccc(C#N)cc4)CC3)n2)cn1 2298080857 ZRDLZKOKZPLULC-UHFFFAOYSA-N 345.410 2.075 30 40 EEEB CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(C)c2)c(C#N)c1C 375809 HOUVSWGUGPMDFV-AATRIKPKSA-N 344.396 2.490 30 40 EEEB CN(C(=O)CN1CCC[C@H]1[C@H](O)C(F)(F)F)C1(C#N)CCCCC1 69902580 KCQFPPWAXFHJKM-JSGCOSHPSA-N 347.381 2.059 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57289896 XCJVZSJQYQKWCC-SFHVURJKSA-N 332.423 2.002 30 40 EEEB COCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 2308021 BTTMQMZUPJINCY-ZDUSSCGKSA-N 340.383 2.027 30 40 EEEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc([N+](=O)[O-])cc1 5009269 DLWFVQFXXUXTBW-UHFFFAOYSA-N 335.323 2.188 30 40 EEEB N#CCCn1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)n1 70037467 OTQGUDSIFINSOS-CQSZACIVSA-N 343.431 2.307 30 40 EEEB C=CCNC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 69570529 FVDLVCFTVDYDIT-UHFFFAOYSA-N 325.771 2.133 30 40 EEEB C[C@@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)N1CCCCC1=O 95431826 FSSHNHIEXLMUFH-HNAYVOBHSA-N 327.428 2.419 30 40 EEEB C#CCOc1ccc(CCNC(=O)N[C@H](C)c2cnn(C)c2)cc1 95404550 OJWQEVGFJJTCOM-CQSZACIVSA-N 326.400 2.035 30 40 EEEB N#Cc1ccc(OCCNC(=O)N2CCC[C@H]2[C@H]2CCCO2)cc1 225459094 GLTAIUTTWYSVIZ-DLBZAZTESA-N 329.400 2.290 30 40 EEEB C(#Cc1ccccc1)CNCCSc1nnnn1-c1ccccc1 9249990 LZUWCUCQOBEANV-UHFFFAOYSA-N 335.436 2.396 30 40 EEEB Cc1cc(C)n(-c2ccc(C(=O)[C@H](C#N)C(=O)N3CCCC3)cc2)n1 103502726 IRRBAQWVXMWLNC-KRWDZBQOSA-N 336.395 2.434 30 40 EEEB CC(C)C[C@H](C(=O)NC(C)(C)C#N)N1C(=O)c2ccccc2C1=O 62161342 AYDXFMUZXYFBEW-CQSZACIVSA-N 327.384 2.116 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(CCCc2nc3ccccc3o2)c1 58357885 AUYBLGVNKISKPO-UHFFFAOYSA-N 337.335 2.281 30 40 EEEB Cn1cc(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 58394327 AXKUXIAJYLALAN-UHFFFAOYSA-N 330.347 2.036 30 40 EEEB O=S(=O)(/N=C(\O)CC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 48470507 RRLLUHQRLJGCEC-LLVKDONJSA-N 341.385 2.062 30 40 EEEB O=C1C[C@@H](/C(O)=N/S(=O)(=O)c2ccccc2)CN1C1CCCC1 48404987 WZFGLZLGWARSKJ-GFCCVEGCSA-N 336.413 2.123 30 40 EEEB N#Cc1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2C[C@@H]2CCCO2)cc1 69742450 MHKPMXUPFRCDGX-YQQAZPJKSA-N 328.368 2.102 30 40 EEEB CCCc1nc(CN2CC[C@H](CNc3ncccc3C#N)C2)no1 65531917 IFMVZODJVYAZKB-CYBMUJFWSA-N 326.404 2.223 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(C(N)=O)c1 65564401 DEYPOONTFQMDSB-UHFFFAOYSA-N 336.395 2.041 30 40 EEEB N#Cc1ncn(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 14143035 PIOQPIHOSZOZHP-UHFFFAOYSA-N 329.669 2.461 30 40 EEEB COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1c(C)nn(C)c1C 18260324 VDYNMEMCBUOHEU-LBPRGKRZSA-N 328.372 2.323 30 40 EEEB CN(C)c1ccc(/C=N/[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 4733000 MQGSWEZTORQHAY-FCGSJESLSA-N 343.383 2.174 30 40 EEEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C#N)cc1 218456646 VSMYOWCNBUPIGG-KZNAEPCWSA-N 326.421 2.410 30 40 EEEB CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@@H]1c1csnn1 84148721 AJLWRYREPOFSCH-CQSZACIVSA-N 330.438 2.366 30 40 EEEB N#CCCCS(=O)(=O)NC(=O)c1cc2ccccc2n1CC1CC1 195580220 UBIANHFYFJHACD-UHFFFAOYSA-N 345.424 2.415 30 40 EEEB C/N=C(\NCc1cccc(N(C)C)n1)NC[C@@H]1CCO[C@@H]1C(C)(C)C 96484697 SQCLPYHZKKOXCM-YOEHRIQHSA-N 347.507 2.264 30 40 EEEB CN1C[C@@H](C(=O)N2CCC(C#N)CC2)[C@@H]2COc3ccccc3[C@@H]21 1772595856 OSZQAGOUUDOYLT-RYRKJORJSA-N 325.412 2.060 30 40 EEEB Cc1cc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c(C)o1 225482425 WYWWTCVXVIDNIZ-CYBMUJFWSA-N 326.356 2.242 30 40 EEEB C[C@@H]1CCc2c(sc(NC(=O)c3nc4ncccn4n3)c2C#N)C1 924006 HWTLQDHPLIFPBU-SECBINFHSA-N 338.396 2.435 30 40 EEEB CSc1nc(N)c(C#N)c(SCC(=O)OCc2ccccc2)n1 2765431 VHSWFGMPZKLMRK-UHFFFAOYSA-N 346.437 2.488 30 40 EEEB N#Cc1ccc(Cn2nnn(-c3ccccc3Cl)c2=O)c(F)c1 10198649 UVSYXFJCXOUBNW-UHFFFAOYSA-N 329.722 2.141 30 40 EEEB Cc1ccc(NC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)nn1 70005025 VOJNHLFXIBUCSR-UHFFFAOYSA-N 335.411 2.302 30 40 EEEB COc1ccc(OC)c(CN2CCN(c3ccc(C#N)cn3)CC2)c1 71889261 DWTBQCXTTOBUCJ-UHFFFAOYSA-N 338.411 2.293 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N\Cc3ccco3)C2=O)c1 408528852 XBDBUCYVUWNNEV-FNHQQPGVSA-N 325.324 2.058 30 40 EEEB CCNC(=S)NCCNc1nc2ccc(OC)cc2cc1C#N 35312331 QIJCRYIDHIZJJZ-UHFFFAOYSA-N 329.429 2.011 30 40 EEEB C=CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cccnc1OC)C2 96039741 FPECYLSVAOETKQ-QFBILLFUSA-N 346.427 2.304 30 40 EEEB CC(C)NC(=O)N1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 96238918 IMCUFKNOWBGDIX-GOSISDBHSA-N 326.400 2.105 30 40 EEEB Cc1ccncc1[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 585140106 IQCOOQMLRUNSJD-OAHLLOKOSA-N 327.409 2.440 30 40 EEEB N#Cc1c(F)cccc1N1CCC(C(=O)Nc2ncccn2)CC1 58327771 VACAVTXABXJYLZ-UHFFFAOYSA-N 325.347 2.342 30 40 EEEB Cc1cnc(C(C)(C)NC(=O)CNC(=O)c2ccc(C#N)cc2)s1 155218839 OCWRTXPEYWFDDY-UHFFFAOYSA-N 342.424 2.105 30 40 EEEB COC(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(C#N)cc1 25179280 YFBTVGUYEKJGET-UHFFFAOYSA-N 336.347 2.313 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1 32616442 LCLVERHSKKZAIR-UHFFFAOYSA-N 342.420 2.375 30 40 EEEB Cc1noc(C)c1COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 32739668 VKXDZTOBYFNGJM-UHFFFAOYSA-N 329.356 2.144 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cc2ccsc2)CC1 47460538 BZLNFXOGLOQHER-UHFFFAOYSA-N 342.424 2.376 30 40 EEEB O=S(=O)(/N=C(\O)COCCOc1ccccc1)c1ccccc1 48407037 YHSWOEZLFIFGDD-UHFFFAOYSA-N 335.381 2.427 30 40 EEEB CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(C#N)c1 67496636 HYTOBJYJUXHVPH-UHFFFAOYSA-N 341.342 2.351 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](N2CCCC2)C1 69420905 JYXVSKWVWZIVFT-DOTOQJQBSA-N 327.428 2.412 30 40 EEEB N#Cc1cc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)ccc1[N+](=O)[O-] 97145233 GUCICUQZXMLRED-LLVKDONJSA-N 342.277 2.432 30 40 EEEB CCn1ccc(=O)nc1SCc1nnc(-c2ccc(C#N)cc2)o1 95401589 SRSTWULPTJPAEU-UHFFFAOYSA-N 339.380 2.477 30 40 EEEB COc1ccccc1[C@@H](C)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 95406911 SZFSQXRIHGYPIC-CQSZACIVSA-N 338.411 2.414 30 40 EEEB N#Cc1ccccc1N1CCC[C@H](NC(=O)CC2(O)CCCC2)C1 73499067 PLCCZBZSUSCHST-INIZCTEOSA-N 327.428 2.338 30 40 EEEB C=CCSCC(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 75145747 ZYFQLVRSCXZQMM-NVXWUHKLSA-N 334.485 2.311 30 40 EEEB CN1C[C@@H]2[C@@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1 4273417 KOHMZZHVNVAGOM-IMFGXOCKSA-N 340.467 2.437 30 40 EEEB biogenic O=C(NCC#CCN1CCOCC1)Nc1ccccc1C(F)(F)F 75164926 SXJCOPBJBJAEOT-UHFFFAOYSA-N 341.333 2.163 30 40 EEEB Cc1ccc(S(=O)(=O)ON/N=c2/ccn(C)c3ccccc23)cc1 31761202 RGTCGLIGJHBPKI-VLGSPTGOSA-N 343.408 2.213 30 40 EEEB C=CCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 223782869 GGDADXIDUDTHMZ-UHFFFAOYSA-N 328.459 2.467 30 40 EEEB CC(C)Cc1n[nH]c(/N=C(\O)COc2ccccc2-n2cnnc2)n1 95474103 LMJKYZHIIVWQRN-UHFFFAOYSA-N 341.375 2.251 30 40 EEEB CCO[C@@H]1C[C@H](O)C12CCN(c1nc3ncccc3cc1C#N)CC2 596143680 GIZQVQPTKNPTRT-JKSUJKDBSA-N 338.411 2.258 30 40 EEEB CC(C)=NN(C(=S)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 575420035 DLSGWZRWAJMWEI-CYBMUJFWSA-N 325.459 2.268 30 40 EEEB N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl 100968108 WJAIALNSNAKJTF-CHWSQXEVSA-N 343.770 2.101 30 40 EEEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)c(OC)c1 222592 GYIURBTTYXIOKU-INIZCTEOSA-N 326.356 2.317 30 40 EEEB C[C@@H]1[C@@H](NC(=O)COC(=O)COc2ccc(C#N)cc2)CCC[C@H]1C 102241818 AUBMZDATDBAYQC-KEYYUXOJSA-N 344.411 2.421 30 40 EEEB O=C1C(=O)N(CCO)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102802537 MAOKUODNNLWWLE-IBOXJLQUSA-N 341.338 2.240 30 40 EEEB CCOC(=O)CC(C#N)(CC(=O)OCC)c1nc2ccccc2n1C 12560505 UWBGVZWPGIHILN-UHFFFAOYSA-N 343.383 2.241 30 40 EEEB C[C@@H]1CN(C[C@@H](C#N)CCC#N)CCN1C[C@H](O)c1ccccc1 106785550 GGJVYLMRTBWNMT-LMMKCTJWSA-N 326.444 2.170 30 40 EEEB COc1ccc([C@@H]2CC(=O)C=C(Nc3nonc3N)C2)cc1OC 102331002 GSKTXXVOLMLNMD-JTQLQIEISA-N 330.344 2.112 30 40 EEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1OC 104750647 PUZPLQBZONHLMQ-FBJXDXQOSA-N 340.379 2.235 30 40 EEEB Cc1nc([C@@H](NC(=O)c2ccc(C#N)c(C)n2)c2ccccc2)n[nH]1 69812710 KLCMSNZSPXVJDS-INIZCTEOSA-N 332.367 2.208 30 40 EEEB C=CCOc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OC 13123904 JFZVMBGEIFPVOK-ALCCZGGFSA-N 345.311 2.128 30 40 EEEB N#Cc1ncn(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)n1 14144252 NTIKFWJGPGIAJQ-MRXNPFEDSA-N 341.371 2.256 30 40 EEEB CC(C)[C@H](Sc1ncc(C#N)c(N)n1)C(=O)NCc1ccccc1 9221201 VUGSRQQSPQERLU-AWEZNQCLSA-N 341.440 2.364 30 40 EEEB Cc1cc(C)n(C[C@H]2CN(CCOc3cccc(C#N)c3)CCO2)n1 69351405 HVQGVZVNRACXNW-LJQANCHMSA-N 340.427 2.151 30 40 EEEB CCO[C@H]1C[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 71802096 GOTPKOBTSZKARR-ROUUACIJSA-N 327.428 2.018 30 40 EEEB CC/N=C(/NCc1nnc2n1CCC2)NCC1(c2ccccc2)CC1 95948140 QRPAMPFNPQCCHM-UHFFFAOYSA-N 338.459 2.011 30 40 EEEB CCCNC(=O)C1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1 89960173 LOQXPHUYISTELA-UHFFFAOYSA-N 343.427 2.083 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N\Cc2ccccc2)C1=O 408526573 DWSWOEQRCROAIY-GEYIUBJWSA-N 335.363 2.465 30 40 EEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)/C=C/c2cccs2)C1 225480412 XFGAONMOGGJROJ-GFUIURDCSA-N 340.408 2.493 30 40 EEEB CCCCCCCn1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12 97993313 PVGMDASWTXEIPK-UHFFFAOYSA-N 345.447 2.274 30 40 EEEB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1ccc(C#N)cc1 245287231 BOVOZMYZZLITSB-UOVPBQLFSA-N 326.396 2.195 30 40 EEEB Cc1nc2c(c(N3C[C@@H]4CN(c5ccc(C#N)nc5)C[C@@H]4C3)n1)CCC2 1888866844 FNATWUPUVTUCGR-GASCZTMLSA-N 346.438 2.113 30 40 EEEB N#CCC[C@H](C#N)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 28921585 QSBMNGORQDLPTF-CQSZACIVSA-N 328.391 2.463 30 40 EEEB COc1ccc(CNC(=O)NCCNc2ncccc2C#N)cc1C 69375224 KIMIEZYQKWMCHX-UHFFFAOYSA-N 339.399 2.182 30 40 EEEB N#C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 104394471 XWDJWHWVFZBUOW-AEFFLSMTSA-N 349.390 2.083 30 40 EEEB CN(C)/C=N/c1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1 100452326 HPIBBTRLLYUCAF-ODCIPOBUSA-N 335.293 2.451 30 40 EEEB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)[C@@H](C#N)c1ccccn1)C2=O 49457168 SBQQZRCYVKHVHV-DOMZBBRYSA-N 333.347 2.251 30 40 EEEB O=C1CSC(N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)=N1 4672730 GBYCUGAUHRQUOS-VCHYOVAHSA-N 339.376 2.459 30 40 EEEB CN([C@H](CCO)c1ccccc1)S(=O)(=O)c1ccc(F)c(C#N)c1 89310235 OHPRPWRNCYVJOJ-QGZVFWFLSA-N 348.399 2.442 30 40 EEEB COc1cccc(CN2C(=O)C(=O)N(Cc3ccc(C#N)cc3)C2=O)c1 69452498 LUTPDRPFBYBOIV-UHFFFAOYSA-N 349.346 2.058 30 40 EEEB C=CCN/C(=N/[C@@H](C)[C@H]1CCCO1)NC[C@H](O)c1ccc(OC)cc1 75583370 BHVMGCNTLWECGK-JCGIZDLHSA-N 347.459 2.017 30 40 EEEB COc1cc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)ccc1O 5408752 RVZBDLJODSTZRD-HNNXBMFYSA-N 325.320 2.267 30 40 EEEB C=C(C)CN(CC)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC 6583827 OFQPPFRXBUVCOE-OAHLLOKOSA-N 337.416 2.120 30 40 EEEB CCCCCCCCN1C(=O)/C(=C\NCCC)C(=O)NC1=S 103009918 IEDLDNODCYLHDO-SEYXRHQNSA-N 325.478 2.474 30 40 EEEB C=CCSc1nc2ccccc2n1CN1CCC[C@@H](C(N)=O)C1 25605892 KNAWYLGWNINYFP-CYBMUJFWSA-N 330.457 2.469 30 40 EEEB C#CCCN1CCN(C(=O)c2cc3ccc(OC)cc3nc2C)CC1 58168600 GBIJCTAWZJNBCL-UHFFFAOYSA-N 337.423 2.333 30 40 EEEB COc1cc(OC)c(/C=N/Nc2ncccc2[N+](=O)[O-])c(OC)c1 409103603 CREYSOYHYCPDBE-RQZCQDPDSA-N 332.316 2.462 30 40 EEEB Cc1ccccc1-n1c(S[C@@H](C)C#N)nnc1N1CCOCC1 17840365 SOQIIEQZEHTKEY-ZDUSSCGKSA-N 329.429 2.417 30 40 EEEB CCOc1cc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)ccc1O 5458364 WPEBFUNSBRHQBM-LZYBPNLTSA-N 344.400 2.252 30 40 EEEB C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(C#N)cc1 65828678 LXPNSNWQBLOREL-JTQLQIEISA-N 334.335 2.325 30 40 EEEB CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1nncs1 65987081 PEPQRKWOKIOTOE-UHFFFAOYSA-N 330.417 2.005 30 40 EEEB N#Cc1ccc(NC(=O)CN2CCCC[C@H]2C2OCCO2)cc1Cl 69463794 UJUUEMGLQPNPSY-HNNXBMFYSA-N 349.818 2.378 30 40 EEEB Cc1cc(C)c(C#N)c(N[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1 84111487 PCJYDCNBRSSDEZ-LBPRGKRZSA-N 330.413 2.391 30 40 EEEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)CC 218344632 JPIYBDSJJAMLLX-VYDXJSESSA-N 335.425 2.223 30 40 EEEB N#Cc1ccccc1NC(=O)C(=O)c1c(O)c2ccccc2oc1=O 6513766 MGJDGMITBKIAHX-UHFFFAOYSA-N 334.287 2.192 30 40 EEEB Cc1nn(C)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1C#N 585129558 NOQVYPUYYRRQTA-UHFFFAOYSA-N 334.401 2.188 30 40 EEEB Cc1nnc(Oc2ccc(S(=O)(=O)N(C)C)cc2)c(C#N)c1C 69950904 VCNNTMYHNILYJE-UHFFFAOYSA-N 332.385 2.008 30 40 EEEB COc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2O)cc1OC 5341683 FUNGVAKAOKDPJC-VCHYOVAHSA-N 340.339 2.097 30 40 EEEB Cc1cnn(C[C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)c1 71875800 SZQHXESZWDSLPP-KRWDZBQOSA-N 343.475 2.341 30 40 EEEB N#Cc1nc(COc2ccc(F)cc2)oc1NCCN1CCOCC1 19973725 JYVWUVPIWOJRMO-UHFFFAOYSA-N 346.362 2.008 30 40 EEEB O=S(=O)(CC1CCC1)/N=C(\O)c1cnc([C@H]2CCCO2)s1 89986941 ZUNASXYAZIUDBP-SNVBAGLBSA-N 330.431 2.429 30 40 EEEB C=CCOc1ccc(NC(=O)[C@]2(C)CCCN(C)S2(=O)=O)cc1 225952835 ZPECZSKUJZKCQL-INIZCTEOSA-N 338.429 2.004 30 40 EEEB Cc1nnc(SCCn2c(=O)oc3cccnc32)c(C#N)c1C 97237222 PQQITCMNDOZPLO-UHFFFAOYSA-N 327.369 2.060 30 40 EEEB C=CCn1c(N)nnc1SC[C@H]1CCCN(C(=O)C(C)(C)C)C1 585093529 NETOKJZPTRBACE-LBPRGKRZSA-N 337.493 2.423 30 40 EEEB O=C1C=C2CN([C@H](C(=O)C3CC3)c3ccccc3F)CC[C@@]2(O)S1 95935646 OHANBBNBMKFHBI-FUHWJXTLSA-N 347.411 2.440 30 40 EEEB in-vitro COC[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(C)=CCC[C@]1(C)O[C@@H]21 1534691062 PLORWQGZQGHMBG-CNRFMZSYSA-N 338.400 2.010 30 40 EEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)c1OC 4305447 HGNLXMZZPNMQLU-AEBUYWAESA-N 340.379 2.235 30 40 EEEB O=C(CCC1=CCCN(c2cc(Nc3nccs3)ncn2)C1)NO 643551027 VDOBGRFNLMLQDQ-UHFFFAOYSA-N 346.416 2.099 30 40 EEEB CO[C@@H]1C[C@@H](c2nncn2C)N(c2ncc(Cl)c(C)c2C#N)C1 583616852 MZFUQEZILJQMHK-MFKMUULPSA-N 332.795 2.010 30 40 EEEB CC[C@H](C)CC(=O)O[C@@H]1C(=O)C(CO)=C[C@@H](OC(C)=O)[C@H]1C(C)C 35457767 MPXXSICHRNCHHK-XBLNEZIDSA-N 340.416 2.040 30 40 EEEB biogenic,in-vitro C#CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40506388 JPDMNOUNSXMVBV-ZDUSSCGKSA-N 325.195 2.347 30 40 EEEB C#CCNC(=O)c1ccc(N2CCO[C@@H](c3cccc(F)c3)C2)nc1 79031128 JEERIQSLLODDJR-QGZVFWFLSA-N 339.370 2.162 30 40 EEEB N#Cc1c(CCCNC(=O)c2cc3ccccc3s2)n[nH]c1N 12628307 NTTWRWJRTJBITI-UHFFFAOYSA-N 325.397 2.441 30 40 EEEB CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1ccc(C#N)cc1 44969003 PNKMNRUDWHTJJG-UHFFFAOYSA-N 346.394 2.481 30 40 EEEB C=C(Br)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 97142029 YVOGTCSKEYJQQF-UHFFFAOYSA-N 336.189 2.239 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(\O)c2c(C)noc2C)c(OC)c1 48611633 PQAUQHDIDXCBHE-UHFFFAOYSA-N 340.357 2.002 30 40 EEEB Oc1nc(N/N=C/c2ccc3c(c2)OCO3)nnc1-c1ccccc1 4158773 KXYXGKGEGFFBDT-GIJQJNRQSA-N 335.323 2.419 30 40 EEEB O=C1CCCC2=C1[C@H](c1cccc(Cl)c1)c1c([nH]c(=O)[nH]c1=O)N2 18199450 WPLVFXQDDWKWQR-LBPRGKRZSA-N 343.770 2.281 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 71863626 LMYFVWSZMPRSOT-LJQANCHMSA-N 335.407 2.050 30 40 EEEB CS(=O)(=O)/N=C(\O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95393156 ABSPGTHYIQFGTP-UHFFFAOYSA-N 335.263 2.020 30 40 EEEB Cc1nsc(N2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)n1 88393225 TYMCHBZMXNGPEP-UHFFFAOYSA-N 346.391 2.211 30 40 EEEB N#Cc1cc(N2CCO[C@@H](Cn3cncn3)C2)ccc1C(F)(F)F 613274140 APIQWEUJGDNDNP-CYBMUJFWSA-N 337.305 2.074 30 40 EEEB CCOC(=O)[C@@H]1CCCN(/C=C2\Oc3c(ccc(O)c3C)C2=O)C1 12442415 HDSIJDLILVYHGI-DYTQJMLRSA-N 331.368 2.392 30 40 EEEB CC1=C/C(=N\OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C=CC1=O 16779829 GGPGMJVLNQPIMH-GDNBJRDFSA-N 331.240 2.101 30 40 EEEB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(C#N)c2)C[C@@H](C)O1 58309444 YRGAGXWGSYPXGP-RKVPGOIHSA-N 327.428 2.272 30 40 EEEB Cc1ncsc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 48354707 KKNROVSLEFFUOX-UHFFFAOYSA-N 326.425 2.281 30 40 EEEB Cc1nn(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(=O)c(C#N)c1C 29502387 DLBFEIULFXGARL-CYBMUJFWSA-N 342.374 2.091 30 40 EEEB N#Cc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 14240597 NBIRSYAGLIWGTQ-UHFFFAOYSA-N 338.323 2.225 30 40 EEEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(OC[C@H]2CCCO2)cc1 7463296 OWHWLYFZCOFVMI-CZUORRHYSA-N 333.384 2.092 30 40 EEEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)[C@@H]1CCOc2ccccc21 77558818 HHYPBEXDWGFXKH-CYBMUJFWSA-N 349.412 2.248 30 40 EEEB C#CC1(O)CC(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)C1 1615586368 LSNJXRMSVBUEOF-XIWWETDGSA-N 331.412 2.436 30 40 EEEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1 169683689 FEIFNQZDWYBITD-NXKDQJSNSA-N 325.324 2.126 30 40 EEEB C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 8225311 QRZPJBVSWAGDER-GFCCVEGCSA-N 344.392 2.369 30 40 EEEB N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc4cn[nH]c4c3)C2=O)cc1 25791552 WFQXXNWYNUSGIZ-KRWDZBQOSA-N 346.346 2.397 30 40 EEEB Oc1ccc(O)c(/C=N/NC(=S)N[C@@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c1 102881360 OFXIRPMFRVBDKI-DRCCZIOZSA-N 343.452 2.497 30 40 EEEB C/N=C1/S/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)N1C 13881382 OWKDJZWQDAGOBX-XVZOTVTFSA-N 331.441 2.364 30 40 EEEB CCOc1cc(/C=N/Nc2ccccn2)ccc1OCC(=O)N(C)C 7159672 FSAWRRBGTGMYBF-UDWIEESQSA-N 342.399 2.393 30 40 EEEB Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(C#N)cc3F)cc12 89267638 WUMMRKUGFDDZDH-UHFFFAOYSA-N 331.332 2.078 30 40 EEEB C=CC/N=C(\NCc1ccccn1)NC[C@H](O)c1ccc(F)c(F)c1 75583203 MDGMJIXJDWMQMH-KRWDZBQOSA-N 346.381 2.315 30 40 EEEB C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)O 504320729 XNZSRYSTBKQWGZ-QTXNHLGWSA-N 348.439 2.305 30 40 EEEB C[C@@H](CC#N)NC(=O)COc1cccc(I)c1 194473419 GBBREGMNENYNPM-VIFPVBQESA-N 344.152 2.088 30 40 EEEB COc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccc(C#N)c2)ncn1 96184777 IPAXUHLJLROGBL-SJORKVTESA-N 335.411 2.210 30 40 EEEB N#Cc1cccc(CN2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c1 96185045 CDMJYJZSAHFMEJ-ZCNNSNEGSA-N 342.439 2.201 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(C[C@H](O)c3cccs3)CC2)c1 49031185 ZLMXPWFSPXDGHK-INIZCTEOSA-N 341.436 2.111 30 40 EEEB CC1(C)[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@@H]21 101364265 WJRIUKQFNSOMMQ-HOTGVXAUSA-N 339.443 2.219 30 40 EEEB CSc1nc(NN)cc([C@H](C#N)c2nc3ccccc3n2C)n1 534357 NZQVLIBKPUQNPA-VIFPVBQESA-N 325.401 2.026 30 40 EEEB C=CCNC(=S)N/C=C(\C(C)=O)C(=O)Nc1ccc(Cl)cc1 104305223 HVXIPDPOWTXUIJ-UKTHLTGXSA-N 337.832 2.402 30 40 EEEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)CCCNC(=O)C2CC2)c1 48472274 DBBFYCXIMAIUMX-UHFFFAOYSA-N 338.429 2.255 30 40 EEEB Cc1ccc2nc3c(cc(C#N)c(=O)n3Cc3ccccc3)c(=O)n2c1 6809471 PHLGFRFWYZCQCR-UHFFFAOYSA-N 342.358 2.238 30 40 EEEB N#Cc1ccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)c(F)c1 81015352 OZHFCLFRXZCTAX-UHFFFAOYSA-N 345.399 2.298 30 40 EEEB CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(C#N)cn1 96010227 XBHHWSSSVDPZLZ-UHFFFAOYSA-N 333.355 2.440 30 40 EEEB CCN(C[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C1)CC(F)(F)F 89969144 VAFKNQAHUXCDCY-ZDUSSCGKSA-N 340.349 2.300 30 40 EEEB N#CC1(NC(=O)CSc2nncn2-c2ccccc2F)CCCC1 4891134 CCHYZRFPTNTSFH-UHFFFAOYSA-N 345.403 2.451 30 40 EEEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C(=O)O1 47748893 UCAXITYQETVWCM-XYBNCVKDSA-N 348.738 2.339 30 40 EEEB COc1cc(C#N)ccc1OCCN1C[C@H](OC)C[C@H]1c1ncc[nH]1 591653799 YNJHSESTVCQPTF-CABCVRRESA-N 342.399 2.131 30 40 EEEB C=C(C)CN1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1 12421735 HGOGLMUPJRAKPW-UHFFFAOYSA-N 340.353 2.150 30 40 EEEB CC(C)Oc1ccc(C(=O)NC2(C#N)CCC3(CC2)OCCO3)cn1 78510882 GNIIRSCHHGEQMH-UHFFFAOYSA-N 345.399 2.178 30 40 EEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 101312521 SDBGKGISJZKUGD-QVDVFPETSA-N 338.454 2.006 30 40 EEEB O=c1[nH]c2ccccc2cc1/C(O)=N/c1nc(-c2ccccn2)n[nH]1 44944172 FNNXVECYXNDWAK-UHFFFAOYSA-N 332.323 2.345 30 40 EEEB N#Cc1ccc(CNC(=O)N2CCN(c3nccs3)CC2)cc1 44968990 POEGKISWIZZOMK-UHFFFAOYSA-N 327.413 2.047 30 40 EEEB N#CC1(NC(=O)CN2CCCC[C@H]2Cn2cccn2)CCCCCC1 69777808 SVFAQWJXWFBAMD-KRWDZBQOSA-N 343.475 2.470 30 40 EEEB CC(C)(C)c1ccc([C@H](C#N)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 66397327 SBBVRWHSKRZTBH-CJNGLKHVSA-N 348.468 2.490 30 40 EEEB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCOc1ccc(C#N)cc1 71880470 UMHYPZMJWBMTOL-MOPGFXCFSA-N 327.428 2.412 30 40 EEEB Cn1c([C@H](C#N)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21 95455113 FXWHAYYGRILHEY-ZDUSSCGKSA-N 348.362 2.226 30 40 EEEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)O 504320726 XNZSRYSTBKQWGZ-BHNPYSKESA-N 348.439 2.305 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2c[nH]c3ccccc23)C1 225799886 ZZYGLQMJKUMMFQ-GFCCVEGCSA-N 333.351 2.123 30 40 EEEB N#C[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252516470 SSIJPRGSGPHKOC-INMHGKMJSA-N 345.351 2.360 30 40 EEEB C=CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)cc2)C1=O 1157389 IBSVRURBZIVWRA-UKTHLTGXSA-N 333.365 2.461 30 40 EEEB N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 31399894 IHFGZJOJXAVRES-UHFFFAOYSA-N 339.374 2.260 30 40 EEEB COc1ccc2c(=O)c(/C=N/c3cc(=O)[nH]c(=S)[nH]3)coc2c1 100750589 OYHOCVJWMNVIOK-OMCISZLKSA-N 329.337 2.298 30 40 EEEB biogenic N#Cc1nc(C2CC2)oc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 32827767 VZXHPBUASLJRLF-UHFFFAOYSA-N 340.343 2.053 30 40 EEEB CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCOC)cc1 4540494 MPQYRPSLBIIYFK-INIZCTEOSA-N 333.384 2.406 30 40 EEEB COc1ccccc1C1CC(=O)C(=C2N[C@@H]3CCCC[C@H]3N2)C(=O)C1 9287922 XRIWSSPARJEELU-HUUCEWRRSA-N 340.423 2.426 30 40 EEEB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccccc2C#N)c1 3219213 OYQHRLKPLHAXPT-UHFFFAOYSA-N 340.335 2.371 30 40 EEEB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)/N=C1/NCCS1 36724885 CQJUGUFJLRGCBU-LBPRGKRZSA-N 339.848 2.313 30 40 EEEB CS[C@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)O)C(=O)N1C 62716218 CFFVPOBHADGGSB-HNNXBMFYSA-N 339.800 2.455 30 40 EEEB N#Cc1cccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 66239607 GWTKENFKIWXSAD-UHFFFAOYSA-N 328.335 2.450 30 40 EEEB Cc1cc(C)n2nc(C(=O)OCc3cn4ccccc4c3C#N)nc2n1 14852438 AQVDCTFNGMBFRX-UHFFFAOYSA-N 346.350 2.223 30 40 EEEB C=C(C)CN1CCN(C[C@@H](O)Cn2cc(C=O)c3ccccc32)CC1 19891688 OZDKIMFNGGSLPQ-GOSISDBHSA-N 341.455 2.008 30 40 EEEB C=CCN(CC(=O)OCC)C(=O)COc1ccc(CCC(C)=O)cc1 95385776 ZMHMQXKEUFFQBR-UHFFFAOYSA-N 347.411 2.165 30 40 EEEB C=CCO[C@@H]1CCN(C(=O)Cc2ccsc2)[C@H]1Cc1cnn(C)c1 306127195 FRIHZCGTNRISKL-DLBZAZTESA-N 345.468 2.439 30 40 EEEB COC[C@]1(C#N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218190093 WPIZZNCIYSQCIX-AVGNSLFASA-N 344.230 2.116 30 40 EEEB CCN(Cc1ccoc1)S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] 96421229 WTNAZDDTAOLUPV-UHFFFAOYSA-N 335.341 2.270 30 40 EEEB CCOc1ncccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 47974500 CHTJYPAJXBERMY-UHFFFAOYSA-N 340.383 2.228 30 40 EEEB NC(=S)N/N=C1\C[C@@H]2c3ccccc3CCN2C2=C1C(=O)CCC2 12656687 MWNZFSXOZBMGGW-OOWUWCJESA-N 340.452 2.186 30 40 EEEB biogenic COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCC(C)(C)N(C)C 40468564 XFTGSOFVJGGFDR-LBPRGKRZSA-N 341.415 2.162 30 40 EEEB Cn1c(=O)c2ccccc2n2c(COc3cccc(C#N)c3)nnc12 32724086 OSFARKVQTYOYNL-UHFFFAOYSA-N 331.335 2.032 30 40 EEEB C=CCN(CCO)C(=O)Nc1cccc(I)c1 71909976 NLRQLWBFSMSACB-UHFFFAOYSA-N 346.168 2.303 30 40 EEEB CCn1cc(C#N)c(=O)n(Cc2csc(C3CCCCC3)n2)c1=O 65530544 WGUCOBXSIWOXBQ-UHFFFAOYSA-N 344.440 2.454 30 40 EEEB CN(C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)C1(C#N)CCC1 66321933 UNSNMGKYEYGRKS-UHFFFAOYSA-N 346.452 2.244 30 40 EEEB CN(C(=O)C1(C#N)CCCCC1)[C@H]1CCN(CC(F)(F)F)C1=O 79002122 IHVONUYGYQEAOV-NSHDSACASA-N 331.338 2.082 30 40 EEEB CC(=O)N1CCCN(C[C@H]2CCCN(c3ccc(C#N)cc3)C2)CC1 570249323 HDMGGWLEJUAGEE-LJQANCHMSA-N 340.471 2.329 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222323888 CYIRFOHUIPKUIU-RSHXJTIPSA-N 335.407 2.140 30 40 EEEB CC(C)n1cc([C@]2(O)CCCN(Cc3ccc(C#N)c(F)c3)C2)nn1 583617956 NCNGKCBDGKOANX-SFHVURJKSA-N 343.406 2.353 30 40 EEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)c4ccncc4)C3)CC2=O)cc1 96238847 QIGHZESUGGXPAY-FQEVSTJZSA-N 346.390 2.222 30 40 EEEB N#CC1(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)CCCC1 97373197 WIUVCUCBKQSREO-SFHVURJKSA-N 341.455 2.343 30 40 EEEB COCC/N=C(/NCCc1ccc(OC)cc1)NCc1nccs1 76091070 NZHNBPQPGKZOTH-UHFFFAOYSA-N 348.472 2.076 30 40 EEEB CN(C)C(=O)CN/C(=N/Cc1cccs1)NCc1ccc(F)cc1 78808858 LGENTMRUGPRZCY-UHFFFAOYSA-N 348.447 2.211 30 40 EEEB Cc1cc(NC(=O)Cn2nc(C)c(C#N)c2N)ccc1Br 79065165 MRXGMYUJJPUFKI-UHFFFAOYSA-N 348.204 2.355 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57276304 SZTUJHLYHVQZML-QFBILLFUSA-N 343.446 2.256 30 40 EEEB N#Cc1cc(S(=O)(=O)Nc2nc3ccccn3n2)ccc1Cl 97143790 VZGSNBJBUXOKMS-UHFFFAOYSA-N 333.760 2.055 30 40 EEEB COc1cc(/C=N\Nc2ccc(C(=O)O)cc2)cc([N+](=O)[O-])c1O 32227836 KXVRBJUAMICLSH-PXNMLYILSA-N 331.284 2.453 30 40 EEEB CC(=O)Oc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 408756069 XHZKZSQDEHDPLC-GZTJUZNOSA-N 332.381 2.233 30 40 EEEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)CCc2cnn(C)c2)cc1F 96474025 YXAILHJWUNVTRV-UHFFFAOYSA-N 343.355 2.285 30 40 EEEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C#N)cc1 242548024 KZDUVAMHEDGNLN-SQNIBIBYSA-N 326.421 2.464 30 40 EEEB CC(C)(C)SCCNc1ccc(C#N)cc1CS(N)(=O)=O 585092605 GQRKEGPMXHZKSS-UHFFFAOYSA-N 327.475 2.290 30 40 EEEB O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\CCc2ccccc2)cc1 17284225 MCPAPVJNCYFCEH-VBKFSLOCSA-N 333.369 2.492 30 40 EEEB N#Cc1ccnc(OCC2CCN(C(=O)c3ccncc3F)CC2)c1 1775995758 HNVRJGKRZHQARA-UHFFFAOYSA-N 340.358 2.419 30 40 EEEB C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 101356007 CLJLQLWOMBOQIG-OAHLLOKOSA-N 329.375 2.316 30 40 EEEB Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc(N2CCCC2)c(F)c1 101916700 CEYCNBBMXBRFOO-ZDUSSCGKSA-N 340.358 2.365 30 40 EEEB CCOC1(OCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3F)[C@@]12C#N 103010370 JLVQOIUVWRBVHK-VNQPRFMTSA-N 328.347 2.040 30 40 EEEB O=C(O)c1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1 56678348 BMKQAVSHJVGEBQ-ZDLGFXPLSA-N 343.364 2.179 30 40 EEEB C=CCS(=O)(=O)N1[C@H](COc2cccc(OC)c2)[C@@H]2CC[C@@H]1C2 100112333 GDFMOYYTKCYUAD-CKEIUWERSA-N 337.441 2.443 30 40 EEEB Cc1nn(CC(=O)N2CCC[C@H]2c2cccs2)c(=O)c(C#N)c1C 27945001 UYDJUHLEACWJMC-AWEZNQCLSA-N 342.424 2.157 30 40 EEEB CCCc1ccc(S(=O)(=O)/N=C(\O)CCNC(=O)OCC)cc1 48563140 LVLBDZGUQVSQMA-UHFFFAOYSA-N 342.417 2.421 30 40 EEEB C=CCNC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 5060304 LUMXVKHRSWNHAE-UHFFFAOYSA-N 342.420 2.473 30 40 EEEB CC/N=C1/S/C(=C/c2ccc(OCC(=O)O)cc2)C(=O)N1CC 408930524 YDKVHXMUEYWJFN-YDNXFKBOSA-N 334.397 2.462 30 40 EEEB C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](C)CO1 69740777 OPNCEUDXDAQRNO-HZPDHXFCSA-N 343.427 2.349 30 40 EEEB Cc1nc(C)c(F)c(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 356661495 IUAYOULSWGSJES-UHFFFAOYSA-N 325.391 2.426 30 40 EEEB Cc1ccsc1C/N=C(/O)Nc1ccn(C2CCN(C)CC2)n1 330206363 FAVIKJWTILIRGQ-UHFFFAOYSA-N 333.461 3.046 30 40 EEEB CC1(Nc2nc(CC(=O)N3CCOC[C@H]3C#N)cs2)CCCC1 1616038152 HQWJQARMXWFSAY-CYBMUJFWSA-N 334.445 2.181 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc(O)c1 6240753 KEXQJMMEHGKVCQ-YFEUJDIGSA-N 339.376 2.159 30 40 EEEB N#Cc1ccc(N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cn1 1888916371 BRIMEALSIUXVNH-GJZGRUSLSA-N 332.411 2.193 30 40 EEEB COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1O 12390757 XELFOJPONNVDSM-CQSZACIVSA-N 328.328 2.370 30 40 EEEB C=CCSCC(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1 58210327 CXUKZGZBJGULQX-NSHDSACASA-N 325.459 2.239 30 40 EEEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccccc2[N+](=O)[O-])n1 7653439 CPVGYADJOXSUQH-NSHDSACASA-N 345.336 2.393 30 40 EEEB Cc1cc(F)ccc1S(=O)(=O)N(CCC#N)C[C@H]1CCOC1 69654484 KOCYEIIFGGQNRW-CYBMUJFWSA-N 326.393 2.075 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccs1 17909708 NCIVUOBWKHLWFA-UHFFFAOYSA-N 329.425 2.216 30 40 EEEB N#Cc1ccccc1OCCN1CCN(C(=O)C2CCCC2)CC1 71821735 OPSPWOCNLCDZLH-UHFFFAOYSA-N 327.428 2.271 30 40 EEEB N#Cc1ccc(CN2CCN(c3ncccc3Cl)CC2=O)cc1 95964918 IXRRLMZRIZKKID-UHFFFAOYSA-N 326.787 2.455 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(C[C@@H](O)c3cccs3)CC2)c1 49031188 ZLMXPWFSPXDGHK-MRXNPFEDSA-N 341.436 2.111 30 40 EEEB C#Cc1cccc(NC(=O)CN(C)c2cncc(-n3ccnc3C)n2)c1 97104668 NLANXYGNRJSRMK-UHFFFAOYSA-N 346.394 2.027 30 40 EEEB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccccc2C#N)[C@@H]1C 4979608 WCIVOLDYSFAQFS-IIAWOOMASA-N 344.411 2.421 30 40 EEEB C#CCOc1c(CC=C)cc(/C=C2\NC(=O)NC2=O)cc1OCC 2980420 MWTJEKUHMHPALD-UVTDQMKNSA-N 326.352 2.006 30 40 EEEB CCOC(=O)C1=C(NC(C)=O)S[C@H]2C(Cl)=C(/C=N/O)CC[C@@H]12 9193846 IZWZFDZCMRHNNA-UNXKGWLMSA-N 344.820 2.376 30 40 EEEB O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2ccsc2)c2ccccc21 18201178 DDYLNPMYXUJLLG-LLVKDONJSA-N 349.371 2.290 30 40 EEEB CC(C)OC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238258 YSLUPZCSQIBCPH-UHFFFAOYSA-N 329.381 2.352 30 40 EEEB CC[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(Br)cc1 14143879 IUKGSPPFYXCRFF-GFCCVEGCSA-N 348.204 2.180 30 40 EEEB C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H](c2ccc(F)cc2)O1 96428328 QIEHDLGZMQKRHK-IUODEOHRSA-N 326.393 2.221 30 40 EEEB CCc1nc([C@@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)no1 67951706 UPGKEIFPXIYYSG-CYBMUJFWSA-N 346.412 2.072 30 40 EEEB Cc1cc(C)n(C[C@H]2CN(Cc3ccc(C#N)cc3F)CCO2)n1 69349937 WXWUZIVELGTROH-QGZVFWFLSA-N 328.391 2.412 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1CN1CCCC1 69415945 FGHVSHKFLCTURD-MRXNPFEDSA-N 343.427 2.032 30 40 EEEB C#CCN(Cc1ccco1)C(=O)NCCn1c(=O)oc2ccccc21 72270237 UYRINWXXDBGJIX-UHFFFAOYSA-N 339.351 2.033 30 40 EEEB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1/C(O)=N/c1nc(C(F)(F)F)n[nH]1 95393237 WEHZRQWFGZAKIU-IWSPIJDZSA-N 345.325 2.449 30 40 EEEB C/C(=N\NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 98055324 XOUUBLDIHRWGJY-SFQUDFHCSA-N 332.381 2.259 30 40 EEEB C/N=C(/NCc1ncc(C)s1)N1CCN(Cc2cccs2)CC1 75076973 XITNJEHSFXHOGQ-UHFFFAOYSA-N 349.529 2.406 30 40 EEEB CC1=C(C)/C(=N\OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=CC1=O 33803859 IDQGAVNNRRJYHJ-VBKFSLOCSA-N 345.267 2.491 30 40 EEEB CN(Cc1cnc(Cl)s1)S(=O)(=O)c1ccc(C#N)cc1 96485491 WTKKDQHYPFQXDY-UHFFFAOYSA-N 327.818 2.489 30 40 EEEB Cn1cnc(S(=O)(=O)N2CCCc3cc(C#N)ccc32)c1Cl 585128420 ARNODXHLGWLGCS-UHFFFAOYSA-N 336.804 2.087 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(CC#N)c2ccccn2)C1 585125394 QIENSMWSFIXGGM-ZDUSSCGKSA-N 330.388 2.195 30 40 EEEB CN(c1ccccc1)[C@H]1CCN(C(=O)CC2(C#N)CCOCC2)C1 598379296 SJUFXSHJAKUORC-KRWDZBQOSA-N 327.428 2.434 30 40 EEEB O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)C1CC1 8355472 ANWDPTZWQVGUPG-UHFFFAOYSA-N 335.429 2.286 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)c1 6316185 UBRDPVPOJPPNDK-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB Cc1ccc2nc3c(cc(C#N)c(=N)n3Cc3ccccc3)c(=O)n2c1 100321040 SKXOASPOUXSPLY-UHFFFAOYSA-N 341.374 2.357 30 40 EEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1 2649320 ANYZNTLMHLAWFO-UHFFFAOYSA-N 343.383 2.098 30 40 EEEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1[N+](=O)[O-] 22608009 JUHZVQBDDYNJDR-BJOHPYRUSA-N 325.328 2.454 30 40 EEEB N#Cc1ccc(CN2CCCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 23254086 SUFFXWJDNGXWEF-UHFFFAOYSA-N 348.450 2.365 30 40 EEEB C[C@@H](NC(=O)C1(C#N)CCCC1)c1cccc(NS(C)(=O)=O)c1 57294617 CAPZUGZICYKTOX-GFCCVEGCSA-N 335.429 2.319 30 40 EEEB COc1ccccc1/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 48505040 YNRFNWMHFXOGAT-UHFFFAOYSA-N 330.365 2.401 30 40 EEEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4O)c(O)nc3c2c1 8742561 DCVAJICOGZOCBL-DJKKODMXSA-N 334.335 2.480 30 40 EEEB C=CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC 5201207 ZBEALKXXHMOJNW-UHFFFAOYSA-N 344.367 2.084 30 40 EEEB C=CCCO[C@@H](C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 65532715 ITUIRVBEYDZARF-KRWDZBQOSA-N 345.487 2.031 30 40 EEEB COc1ccccc1-n1c(N)c(C#N)c2c(c1=O)CO[C@@H](C(C)C)C2 6759240 VRHXIFCCTCZZSD-QGZVFWFLSA-N 339.395 2.397 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C(=O)N1CCSCC1 71904191 FQOFSYWDVQMWFD-OAHLLOKOSA-N 346.412 2.011 30 40 EEEB N#Cc1cccc(CNC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 72271791 BHXUREUHJUYWTK-SFHVURJKSA-N 348.406 2.159 30 40 EEEB OC1CCC(N/C(=N\C2CCCCC2)NCCN2CCCC2)CC1 73400833 HUOGLZYVCZYDCQ-UHFFFAOYSA-N 336.524 2.254 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccccc1O 408739599 CVPVGMVGKGAEPV-NNLQFVHNSA-N 339.376 2.159 30 40 EEEB N#Cc1cccc(OC[C@@H]2CO[C@@H]3CN(Cc4ccncc4)C[C@H]23)c1 96209635 PCDGNNJTLFEATB-MISYRCLQSA-N 335.407 2.479 30 40 EEEB CN(C/C(O)=N/S(=O)(=O)c1ccc(F)cc1)C(=O)OC(C)(C)C 96404844 ILHAADSNVCOEBU-UHFFFAOYSA-N 346.380 2.338 30 40 EEEB CSc1nc(O)c(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1C#N 608839116 LSZQMQRXYOXLTA-JTQLQIEISA-N 343.412 2.124 30 40 EEEB CCc1nc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)cn1CC1CC1 585098354 PETSEYDZSZKHKT-MRXNPFEDSA-N 336.461 2.168 30 40 EEEB C#CCN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 40051248 XKOVDHAIPJKHAD-UHFFFAOYSA-N 329.407 2.447 30 40 EEEB C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 8225312 BDXZQPYMNUGYAU-LBPRGKRZSA-N 344.392 2.369 30 40 EEEB COC1=C[C@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)CC1=O 1280592 INYYVPJSBIVGPH-JMERFSKESA-N 329.396 2.018 30 40 EEEB biogenic,in-vitro C/N=C1/S[C@@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)N1C 100880403 VSHJUQWQJTVCPD-KDSBZSBUSA-N 343.355 2.176 30 40 EEEB C=CCn1cnnc1SCc1cccc(S(=O)(=O)N(C)C)c1 25253191 YKSNAWQIAGMSET-UHFFFAOYSA-N 338.458 2.007 30 40 EEEB N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1 28040966 ZENUSDZBECFPLL-UHFFFAOYSA-N 342.424 2.032 30 40 EEEB COc1ccc(CNCCCCCc2n[nH]c(N)c2C#N)cc1OC 8706393 OHMAXUBAMXRMJY-UHFFFAOYSA-N 343.431 2.383 30 40 EEEB Cc1c(N2CCN(c3ccc(N)nc3)CC2)cc(C#N)cc1[N+](=O)[O-] 92624617 VHIGFYXSNYEKAW-UHFFFAOYSA-N 338.371 2.079 30 40 EEEB N#Cc1ccc(OC2CCC(NC(=O)CCn3cccn3)CC2)nc1 92615079 VSQCCNABMYAUAW-UHFFFAOYSA-N 339.399 2.046 30 40 EEEB N#Cc1nccnc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 92964095 ZMUGXAYBKMAXAP-NSHDSACASA-N 335.289 2.420 30 40 EEEB N#CC1(NC(=O)CN(CCCO)[C@H]2CCc3ccccc32)CCCC1 71907418 KWZXYHFBCBRAPH-SFHVURJKSA-N 341.455 2.311 30 40 EEEB CCOC(=O)c1cnn([C@H]2CCCN(Cc3ccc(C#N)o3)C2)c1 97051930 OFBLCGDZUAILOD-AWEZNQCLSA-N 328.372 2.362 30 40 EEEB Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(C#N)cc3)C2)no1 72232016 RRVUBSPDROZBPL-CQSZACIVSA-N 326.356 2.035 30 40 EEEB CCCn1c(C)nnc1COC(=O)[C@@H](C)Oc1ccccc1C#N 95447828 ZTXREMQWAPFGBH-GFCCVEGCSA-N 328.372 2.379 30 40 EEEB O=C(C#Cc1ccccc1)N1CCn2c(Cc3ccccc3)nnc2C1 95406190 JSWDCUKCYDWBFM-UHFFFAOYSA-N 342.402 2.263 30 40 EEEB N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cc1 225458985 GLTAIUTTWYSVIZ-SJORKVTESA-N 329.400 2.290 30 40 EEEB COCC(=O)N1CCC(Nc2c(C#N)cnc3c(C)cccc23)CC1 96429183 JEJAMQJTDHTTND-UHFFFAOYSA-N 338.411 2.464 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 242649062 RTICLIAEWARKHG-GZBFAFLISA-N 341.816 2.314 30 40 EEEB C=CCNC(=S)NN=Cc1cc2c(cc1Br)OCO2 254406989 PNVYDFWPGXGGAA-UHFFFAOYSA-N 342.218 2.162 30 40 EEEB Cc1ccnc(Sc2nc3c(C)cccn3c(=O)c2/C=N/O)n1 567563 PNUCFIDIMCGKSC-CAOOACKPSA-N 327.369 2.061 30 40 EEEB COc1ccc(/C=C2/CN(c3ccc(C(=O)O)cc3)C(=O)C2=O)cc1 16954572 JVGHCDFCVAOAHR-UVTDQMKNSA-N 337.331 2.393 30 40 EEEB CC1(C)Cc2c(C#N)c(N3CCNCC3)nc(-c3ccco3)c2CO1 20100309 OVRBNSYFEUAUAT-UHFFFAOYSA-N 338.411 2.474 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCc2c(C(N)=O)cccc21 40515599 UTDCDZQLMMPZLD-ZDUSSCGKSA-N 349.390 2.404 30 40 EEEB CCCC/N=C(/N)SCc1cc(=O)n2nc(CC)sc2n1 24514375 MCYHSMSKTGKEJG-UHFFFAOYSA-N 325.463 2.061 30 40 EEEB C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccccc1C#N 24977322 BQIPZXYUYFZIFJ-GFCCVEGCSA-N 334.335 2.390 30 40 EEEB COCCN1CC(=O)C(c2nc(-c3ccc(F)cc3)cs2)=C1N 3231072 BIFZGMSAQXXDFY-UHFFFAOYSA-N 333.388 2.108 30 40 EEEB C#CCN1CCC(C(=O)NC[C@@](C)(O)c2ccccc2Cl)CC1 97143397 WNRYUTOCHISMFM-GOSISDBHSA-N 334.847 2.009 30 40 EEEB Cc1cccc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c1 13957767 YMGYHJGOHPQTKP-UHFFFAOYSA-N 329.312 2.146 30 40 EEEB N#C[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(F)cc1F 97083154 JDJCHHQLGIORFP-OAHLLOKOSA-N 347.296 2.215 30 40 EEEB CC(C)N1C(=O)N[C@@]2(CCN([C@@H](C)c3ccc(C#N)cc3)C2)C1=O 84597293 CFYZZHAAPHJWFT-SCLBCKFNSA-N 326.400 2.024 30 40 EEEB CN(CCCc1n[nH]c(N)c1C#N)c1cncc(Br)c1 89346086 YTZYJFMDDIJAJV-UHFFFAOYSA-N 335.209 2.090 30 40 EEEB N#Cc1ccc(O[C@H]2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)nc1 306123874 AZGJEDIAHJSWBB-KRWDZBQOSA-N 349.394 2.050 30 40 EEEB COCc1cc(C)nc(SCC(=O)Nc2nnc(C)s2)c1C#N 408599513 IGPMAOLATHNTKL-UHFFFAOYSA-N 349.441 2.299 30 40 EEEB Cc1nc(C)c(C#N)c(SCCCN2CCN(C(C)C)CC2)n1 188290715 SQVHZCVBQIKDDX-UHFFFAOYSA-N 333.505 2.473 30 40 EEEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C(N)=O)C1 96417008 VMBAJRQNKFDDNP-SNVBAGLBSA-N 342.317 2.218 30 40 EEEB C=CCOC[C@@H]1CN(C)C(=O)[C@@H]2CCN(Cc3cc(C)on3)CC[C@H]12 96066443 OQKUHXWZCSENML-CGTJXYLNSA-N 347.459 2.102 30 40 EEEB CO[C@@H](C)c1noc(CNC2(c3cccc(C#N)c3)CCOCC2)n1 595764705 LVYKQASWIRUXBM-ZDUSSCGKSA-N 342.399 2.444 30 40 EEEB CC1=NN(C(N)=S)C(=O)/C1=N/Nc1ccc(Cl)c(Cl)c1 100006029 UQNYGYOJCINHNM-CXUHLZMHSA-N 330.200 2.223 30 40 EEEB C=C(C)CN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 69666429 YZQSNVYSCDJPMA-HNNXBMFYSA-N 344.411 2.445 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccco1 25119325 YNVXMEBZUGWIEM-MRXNPFEDSA-N 337.379 2.414 30 40 EEEB C/C(=N\NC(=S)NC1CC1)c1ccc(NC(=O)NC2CC2)cc1 47950341 ZXVMTPBJTDXKCO-KEBDBYFISA-N 331.445 2.321 30 40 EEEB CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238263 CQUQFCOHPUZKRP-SNVBAGLBSA-N 329.381 2.352 30 40 EEEB Oc1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 5460978 DTQHUNKBXGTPLA-LZYBPNLTSA-N 326.385 2.033 30 40 EEEB N#CC1(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)CCCCC1 7046933 HXVNDRMJYMJVBV-UHFFFAOYSA-N 331.416 2.038 30 40 EEEB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O 8325729 ZOGVXABLWLHUGF-MGPLVRAMSA-N 346.412 2.059 30 40 EEEB CC[C@H](CO)N1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 72306191 UVMAWQBDTAEMNU-OAHLLOKOSA-N 347.463 2.035 30 40 EEEB Cc1cc(N(C)CCCc2n[nH]c(N)c2C#N)nc(-c2ccncc2)n1 71899438 KGUMHBOWQYSSBF-UHFFFAOYSA-N 348.414 2.093 30 40 EEEB N#C[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218436194 RHTDWAWNXDHRHS-VYDXJSESSA-N 345.351 2.360 30 40 EEEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218105601 NLAXDUJKZPBIPJ-OKZBNKHCSA-N 342.420 2.164 30 40 EEEB C[C@@H](CC#N)NS(=O)(=O)c1cnc(N2CC=CCC2)c(Cl)c1 1615045902 HHUAPPVDSLJZTM-NSHDSACASA-N 340.836 2.082 30 40 EEEB C=CCNc1nnc(S(=O)(=O)Cc2cccc(OC)c2)s1 97101201 IOUVASOFQACRKX-UHFFFAOYSA-N 325.415 2.119 30 40 EEEB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1 3311508 WPVUUEQQGXBQBH-UHFFFAOYSA-N 337.335 2.312 30 40 EEEB N#CCn1c(CN2CCc3ccccc3C2)nc2ccccc2c1=O 29032018 CMLZTWHSRVVPDL-UHFFFAOYSA-N 330.391 2.478 30 40 EEEB C=C(C)COc1cccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 67320548 DCCRPWYIIPPUHG-ZDUSSCGKSA-N 338.429 2.198 30 40 EEEB CNC(=O)CN1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 67350140 VIAWOOKLRZZLHN-UHFFFAOYSA-N 340.349 2.199 30 40 EEEB N#Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 16043906 CQOIPNYHXFJQOD-HUUCEWRRSA-N 325.368 2.062 30 40 EEEB C#CCOc1ccc(CCNC(=O)N2CCC[C@H]([C@@H](C)O)C2)cc1 96483255 MJWQVESFLCVQSJ-WBVHZDCISA-N 330.428 2.044 30 40 EEEB N#Cc1cnc2c(F)cc(F)cc2c1NCCCN1C(=O)CCC1=O 71900389 FRONFHCGWNTCQF-UHFFFAOYSA-N 344.321 2.336 30 40 EEEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\Nc1ccc([N+](=O)[O-])cn1 408750860 SPCFRSFALJPGOP-APSNUPSMSA-N 347.287 2.361 30 40 EEEB N#Cc1cccc(N2C[C@]3(CCN(C(=O)c4ccncc4)C3)CC2=O)c1 96238896 QAVRVDMRTFGMIU-HXUWFJFHSA-N 346.390 2.222 30 40 EEEB CC(=O)C1=C(O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 12437132 OACSUKAIVHQATB-ZACQAIPSSA-N 333.340 2.439 30 40 EEEB C#Cc1cccc(NC(=O)CN(C)c2nc3ccccn3c2C#N)c1 97104635 RAYQFWCILZIFQC-UHFFFAOYSA-N 329.363 2.262 30 40 EEEB N/C(=N/OCC(=O)Nc1ccc2c(c1)OCCCO2)C1CCCC1 54211113 VIMZUSLLONWOGX-UHFFFAOYSA-N 333.388 2.265 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CC1 102817896 GHIGRDADUISATB-NTODXPRQSA-N 329.396 2.156 30 40 EEEB Cc1nn(CCC(=O)OCCOc2ccc(C#N)cc2)c(C)c1C=O 58289680 QCQCOCMHJKXKDZ-UHFFFAOYSA-N 341.367 2.196 30 40 EEEB Cc1n(CCO)c([N+](=O)[O-])c[n+]1CC(=O)c1ccc2ccccc2c1 8714612 LQQRXWLCQNBITJ-UHFFFAOYSA-N 340.359 2.021 30 40 EEEB O=C(O)C[C@@H]1S/C(=N\c2ccc(Br)cc2)NC1=O 15015073 OPEIXTBPYIKSTI-QMMMGPOBSA-N 329.175 2.143 30 40 EEEB C=CCNC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 8390225 MPUSQDZYOCXJIN-UHFFFAOYSA-N 330.215 2.166 30 40 EEEB C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 96309080 CYFYRUNMVOBTIB-APHBMKBZSA-N 340.379 2.165 30 40 EEEB C=CCN(Cc1cccs1)C(=O)NCCN1C(=O)CSC1=O 71803190 UYHGEMINLXNNDW-UHFFFAOYSA-N 339.442 2.141 30 40 EEEB CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N(C)c2ncccc2C#N)C1 97085623 UICUBQQHRHZKST-HIFRSBDPSA-N 328.416 2.201 30 40 EEEB CC(C)(C)[C@H](C#N)NC(=O)c1cncc(I)c1 95441320 KXEWVIQFJMTBPK-JTQLQIEISA-N 343.168 2.354 30 40 EEEB CC1(C)[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@H]21 95404562 WJRIUKQFNSOMMQ-IYBDPMFKSA-N 339.443 2.219 30 40 EEEB Cc1ccccc1[C@H](O)CNS(=O)(=O)Cc1cccc(C#N)c1 89689200 KGBYHFCHCFQLLF-QGZVFWFLSA-N 330.409 2.020 30 40 EEEB N#Cc1ccc(OC[C@H]2CN3Cc4ccccc4C[C@H]3C(=O)O2)cc1 48264139 QLTRAUNQGHLTGZ-MOPGFXCFSA-N 334.375 2.289 30 40 EEEB COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 48496813 RQSOSOGRGWPIQY-UHFFFAOYSA-N 346.364 2.269 30 40 EEEB C=CCN1C(=O)[C@H](C)S/C1=N/S(=O)(=O)c1ccc(CC)cc1 4538061 DACFUEPUWXTYTH-RJLNKPMYSA-N 338.454 2.444 30 40 EEEB COC1=C[C@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O 181 INYYVPJSBIVGPH-WTOJCKNJSA-N 329.396 2.018 30 40 EEEB biogenic,in-vitro CCOc1ccc(C#N)cc1NC(=O)N1CCN(CC(F)F)CC1 61776916 UKOZTWMSFLMSDN-UHFFFAOYSA-N 338.358 2.372 30 40 EEEB N#Cc1ccc(OC/C(O)=N/c2nc(N3CCCCC3)n[nH]2)cc1 57885306 XCZLYVQZBPGETO-UHFFFAOYSA-N 326.360 2.334 30 40 EEEB N#Cc1ccccc1N1CCCN(CCCN2CCCC2=O)CC1 71824739 NKDBOBHGCXEKLU-UHFFFAOYSA-N 326.444 2.083 30 40 EEEB COC(=O)[C@H](NCc1csc(N(C)C)n1)c1cccc(C#N)c1 89326850 OBPMZZAZNHGLPQ-CQSZACIVSA-N 330.413 2.085 30 40 EEEB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C1(C#N)CCC1 75328355 VVRZPLIDZVZEKP-UHFFFAOYSA-N 342.443 2.469 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 7384838 JZYZURCGFMWNPD-KRWDZBQOSA-N 344.440 2.001 30 40 EEEB C=CCN(Cc1cccs1)C(=O)CN(C)c1ncnc2[nH]cnc12 56384606 QPMDICAEQKJARX-UHFFFAOYSA-N 342.428 2.065 30 40 EEEB C/C(Cc1ccccc1)=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16969776 MDLYJQMAOSZFKC-FOWTUZBSSA-N 333.369 2.492 30 40 EEEB C[C@@H]1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])c3)c2C#N)C1 31804501 HPCQHBVMEJDJCD-SECBINFHSA-N 345.384 2.488 30 40 EEEB C=CCn1c(N2CCN(C)CC2)nc2sc3c(c2c1=O)CCCC3 12321793 IDXMKUIADXXABY-UHFFFAOYSA-N 344.484 2.275 30 40 EEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccs1 8743538 WRWBEDAGZRAITG-SXWSKBOKSA-N 346.408 2.324 30 40 EEEB Cc1nnc(NCc2cccc(CN3CCOCC3)c2)c(C#N)c1C 44976755 XKDTUJZRARVPBC-UHFFFAOYSA-N 337.427 2.409 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 58427053 JDVCVLYAXAVTKB-DKRLNXSXSA-N 342.399 2.300 30 40 EEEB Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1sccc1Br 119504967 PNCLVQBSYWZJIX-SSDOTTSWSA-N 338.186 2.449 30 40 EEEB C[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CCN1CC(F)(F)F 95447199 WCILUILJAFWTRF-GFCCVEGCSA-N 340.349 2.336 30 40 EEEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccccc1[N+](=O)[O-] 409205580 INWQRXQGSHKGDW-MYILWVEVSA-N 325.324 2.126 30 40 EEEB CC(C)(C#N)c1ccccc1CN1CCC[C@H](N2CCNC2=O)C1 95425728 BEVLVGUQCAKCKU-INIZCTEOSA-N 326.444 2.477 30 40 EEEB CC[S@+](C)CC[S@+](C)CC[S@@+](C)CC[S@@+](C)CC 247647245 KSFVLIQDMPBFDX-XSLAGTTESA-N 330.694 2.019 30 40 EEEB COc1ccc(OC)c(/C=N/N2CCN(c3ccccn3)CC2)c1 16712312 FAONJDKDGDEDJA-XSFVSMFZSA-N 326.400 2.255 30 40 EEEB COC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 5009280 UUDLPMLZJZCPJJ-UHFFFAOYSA-N 348.362 2.066 30 40 EEEB CC(C)c1nccn1CC1CN(S(=O)(=O)c2ccc(C#N)cc2)C1 1849672811 XSJDAUODXQNWPH-UHFFFAOYSA-N 344.440 2.199 30 40 EEEB COc1ccc(CCNC(=O)CO/N=C/c2cccs2)cc1OC 3290308 GKVXUBNXRBWHSE-YBFXNURJSA-N 348.424 2.475 30 40 EEEB C#CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409357847 RTKWXLZZYSCLMC-UHFFFAOYSA-N 349.346 2.005 30 40 EEEB Cc1nc(CN2CCN(c3nnc(C)c(C)c3C#N)CC2)cs1 29441221 VQFSFIFXFWKUGL-UHFFFAOYSA-N 328.445 2.052 30 40 EEEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc(CC)[nH]1 11714158 XIOMYNNXCNXFQX-UHFFFAOYSA-N 337.430 2.351 30 40 EEEB N#CCc1ccc(OCC(=O)N2CCC[C@H](N3CCCC3)C2)cc1 63826398 YPVUSSUZAUXJLC-KRWDZBQOSA-N 327.428 2.218 30 40 EEEB CCN(C)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 65520406 QQOUGVBJKAEQEA-UHFFFAOYSA-N 349.438 2.372 30 40 EEEB C#CCNC(=O)COC(=O)c1csc(-c2ccc(CC)cc2)n1 7077835 YOSWJOLRONOTFX-UHFFFAOYSA-N 328.393 2.279 30 40 EEEB C=CCN1C(SCc2cccc(F)c2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 9306516 NBJYMRWDIZKRDC-KGLIPLIRSA-N 340.445 2.082 30 40 EEEB C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccc(C)cc2)CC1 72268171 OJZFYRSNMRNKNC-SFHVURJKSA-N 331.460 2.368 30 40 EEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C 408709569 UGVDDZWOUMDBET-DZGCQCFKSA-N 343.427 2.236 30 40 EEEB C=CCN(Cc1nccn1CC)S(=O)(=O)c1ccc(OC)cc1 69705807 VGLCJIMJACETGY-UHFFFAOYSA-N 335.429 2.289 30 40 EEEB CN(C)c1ccc(/C=N/[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 493723 MQGSWEZTORQHAY-FHIITYSISA-N 343.383 2.174 30 40 EEEB C#Cc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2O)c1 58381226 JEFUQPQQMAXLGI-UHFFFAOYSA-N 331.349 2.181 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@@H](C#N)C(=O)c2ccoc2)nc1 69697822 HWYCHCMOUZZLDS-CQSZACIVSA-N 347.396 2.195 30 40 EEEB O=C(Nc1ccccc1C#Cc1ccccc1)N(CCO)CCCO 83576051 QSRAJSVRRQWQSJ-UHFFFAOYSA-N 338.407 2.295 30 40 EEEB CC(C)CCc1nc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)cs1 71830878 FWTYJSLYEMKVRH-UHFFFAOYSA-N 344.440 2.310 30 40 EEEB N#CCCN(CCN1CCOCC1)C(=O)Nc1cccc(Cl)c1 72306511 GRUVZLJZWLFDGD-UHFFFAOYSA-N 336.823 2.420 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)N(CCO)Cc2ccccc2)c1 74808893 HTLFSESBYIMOBE-UHFFFAOYSA-N 327.359 2.401 30 40 EEEB C[C@@H]1C[C@H]1Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1C#N 95417562 ZNJRORCTFRBGCD-PRHODGIISA-N 333.335 2.219 30 40 EEEB C=CCn1c(N)nnc1SCC[C@@H]1Sc2ccccc2NC1=O 585093536 QDEPJWWWBGMXLP-LBPRGKRZSA-N 347.469 2.642 30 40 EEEB Cc1ccc2occ(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c(=O)c2c1 257346793 OSEQKJAITJZJAM-NPQUFMRQSA-N 348.358 2.242 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc(O)c1 45683 KEXQJMMEHGKVCQ-XKYMITNMSA-N 339.376 2.159 30 40 EEEB N#Cc1cc2c(nc1N1CC(Cn3nc(C4CC4)ccc3=O)C1)CCC2 585602936 RSKCNSBKGWELJH-UHFFFAOYSA-N 347.422 2.012 30 40 EEEB C[C@@H]1CN(C(=O)C(C)(C)c2cccc(C#N)c2)C[C@@H]1N1CCOCC1 76052911 YXLNFHYGNKACPW-QAPCUYQASA-N 341.455 2.015 30 40 EEEB Cc1sc(NS(=O)(=O)c2ncn(C)c2Cl)c(C#N)c1C 38104870 NDGIHTCQGNBQLQ-UHFFFAOYSA-N 330.822 2.424 30 40 EEEB COC(=O)C1=CN(c2cccc(C#N)c2)c2ccccc2S1(=O)=O 64979288 JGYVSTCTCRVNIK-UHFFFAOYSA-N 340.360 2.498 30 40 EEEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1ncn(-c2ccccc2)n1 96007308 ZWIMUFIJVCGBFY-UHFFFAOYSA-N 339.380 2.248 30 40 EEEB CCCc1noc(CN(C2CC2)S(=O)(=O)c2ccc(C#N)cc2)n1 96428856 BDNXNCWEXPPPFF-UHFFFAOYSA-N 346.412 2.247 30 40 EEEB CC(=O)C1=C(C)OC(=O)[C@]1(NC(=O)c1ccc(F)cc1)C(F)(F)F 96232814 ZIAABZSMKFSPKJ-AWEZNQCLSA-N 345.248 2.276 30 40 EEEB Cc1nc(CN2CCC[C@H](N(C)Cc3ccc(C#N)cc3F)C2)no1 71870501 QUKRJJZYRMMCLN-INIZCTEOSA-N 343.406 2.485 30 40 EEEB C#CCn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 409408567 RJDQBUWPUXBBEM-KODHJQJWSA-N 343.386 2.416 30 40 EEEB N#Cc1ccccc1COc1ccc([C@@H]2CC(=O)N=C3N=CNN32)cc1 409377509 HPDMCSXWWYIFFS-KRWDZBQOSA-N 345.362 2.313 30 40 EEEB Cn1c([C@@H](C#N)C(=O)c2sccc2-n2cnnn2)nc2ccccc21 123042799 MEZVRROXARKYSN-JTQLQIEISA-N 349.379 2.101 30 40 EEEB O=C1c2ccccc2C(=O)C1(Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 5685314 KJEOSAYTHRMRSS-UHFFFAOYSA-N 326.264 2.232 30 40 EEEB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 11372162 UQINCKODSCOHAE-UHFFFAOYSA-N 343.408 2.038 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])c3)c2C#N)C1 31804504 HPCQHBVMEJDJCD-VIFPVBQESA-N 345.384 2.488 30 40 EEEB O=C(O)COc1ccccc1/C=N/NC(=S)NCc1ccccc1 2658394 QMNYZOWTMVUUHI-YBFXNURJSA-N 343.408 2.148 30 40 EEEB CCOc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCOC)ccc1O 4540510 MVTCMGLSKAHJLZ-MRXNPFEDSA-N 349.383 2.112 30 40 EEEB Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2F)cc1[N+](=O)[O-] 4907242 LKJXRFLQIHXJAB-CXUHLZMHSA-N 337.332 2.355 30 40 EEEB CCN1/C(=N\C(=O)CCC2CCCC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 101314946 XFBWWMYAILUIFX-PUSDIMDNSA-N 344.502 2.074 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c1 44576646 MHXSYKYROFPZDK-UHFFFAOYSA-N 340.427 2.358 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Nc1ccccc1N1CCOC1=O 58333129 CHLLYLSTINSTFJ-UHFFFAOYSA-N 343.364 2.316 30 40 EEEB C#CCOc1ccc(CCNC(=O)N2CCC[C@@H]([C@H](C)O)C2)cc1 96483252 MJWQVESFLCVQSJ-DOTOQJQBSA-N 330.428 2.044 30 40 EEEB N#Cc1cnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)nc1N 6978148 WWQCUBCZJSQICY-AWEZNQCLSA-N 339.424 2.386 30 40 EEEB CCOc1ccccc1NC(=O)CO/N=C(/N)CN1CCCC[C@H]1C 69378731 SXOKOZIVYGYDDI-CQSZACIVSA-N 348.447 2.187 30 40 EEEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)[C@H]1COc2ccccc21 71905041 LJCKVNJZRWNGNS-YPMHNXCESA-N 325.386 2.018 30 40 EEEB Cc1ccccc1OCCN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 95406917 XMZHAESHLMBUCX-UHFFFAOYSA-N 338.411 2.032 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 25100851 VWKSQDCVGFUYQE-UHFFFAOYSA-N 347.374 2.484 30 40 EEEB C=CCn1c(NCc2ccccc2OC)nc2c(C)nn(C)c2c1=O 32652638 LVUSGCNFYUPJNI-UHFFFAOYSA-N 339.399 2.245 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ccc(C#N)cc2)C1 89223507 QDQDIFAJLHFBPN-CQSZACIVSA-N 336.413 2.341 30 40 EEEB N#Cc1ncn(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)c1C#N 97379947 RXSWRVXBGICKQC-UHFFFAOYSA-N 330.229 2.142 30 40 EEEB O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 19367653 RYIRYRJWGGJWLR-QUJDQHDRSA-N 343.427 2.162 30 40 EEEB O=C(O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 20081875 MHTBBKNZURGJCO-INIZCTEOSA-N 337.331 2.350 30 40 EEEB N#Cc1c(F)cccc1N1CCN(Cc2noc(C3CC3)n2)CC1 69707364 DAYMDYAMUXRQHG-UHFFFAOYSA-N 327.363 2.280 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 69706529 MVMPZKFHTWCLFS-NSHDSACASA-N 332.404 2.382 30 40 EEEB Cc1ccn(CC(=O)Nc2ccc(C#N)c(Cl)c2)c(=O)c1C#N 97141206 WLPJNARBJABAIY-UHFFFAOYSA-N 326.743 2.192 30 40 EEEB CNC(=S)N/N=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl 13684718 NPGFNUAMXHYAGM-REZTVBANSA-N 325.800 2.401 30 40 EEEB COC(=O)c1ccc(N(Cc2ccccc2C#N)S(C)(=O)=O)cc1 71186301 FWPZZRDVBRPFTP-UHFFFAOYSA-N 344.392 2.311 30 40 EEEB N#Cc1ccc(OC[C@@H](O)CN2CCCC[C@H]2Cn2cccn2)cc1 71875233 SIJJJVFNOBBWPR-ROUUACIJSA-N 340.427 2.049 30 40 EEEB C=CCNC(=O)c1ccc(N2CCC[C@H](Cc3noc(C)n3)C2)nc1 97047818 LHKSARXVCKAFDZ-CQSZACIVSA-N 341.415 2.148 30 40 EEEB N#Cc1ccc(NC(=O)C(=O)NCCCc2nc3ccccc3[nH]2)cc1 72291085 XVLYZEUYWBILTQ-UHFFFAOYSA-N 347.378 2.122 30 40 EEEB C/N=C(\NCc1nc(C)no1)NC[C@@H](C)Oc1ccc(Cl)cc1 95406712 FBSJGAVUANZAJL-SNVBAGLBSA-N 337.811 2.164 30 40 EEEB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccnc(C#N)c1 225818557 AUVRLPFTBFIVPE-UHFFFAOYSA-N 345.424 2.262 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)CCc2cn(C)nc2C)c(F)c1 96444356 DTYCLYKUBSWMDQ-UHFFFAOYSA-N 339.392 2.454 30 40 EEEB CCn1cc(S(=O)(=O)N[C@](C)(C#N)CCc2ccccc2)cn1 96484829 PHUKVOPHCZATTI-INIZCTEOSA-N 332.429 2.096 30 40 EEEB CC(C)Oc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1C#N 1565504929 QMWJJERRKUNECE-UHFFFAOYSA-N 330.340 2.477 30 40 EEEB O=C(CC1=[N+]([O-])[C@@H]2CCCC[C@@H]2N(O)C1=O)c1ccc(Cl)cc1 1406010 NFWXVEMFRLRWKR-OLZOCXBDSA-N 336.775 2.407 30 40 EEEB COc1ccccc1N/N=C1\C(=O)N(CN2CCCCC2)N=C1C 4712303 UWWYHJZIXJVLIY-MNDPQUGUSA-N 329.404 2.125 30 40 EEEB C/N=C1/S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C 105789640 NVZJXSARVOWIQW-OIRDJALBSA-N 329.784 2.367 30 40 EEEB Cc1nn(C[C@@H](O)COc2ccccc2C(C)C)c(=O)c(C#N)c1C 12766211 CDRGMPMQPOFIGR-OAHLLOKOSA-N 341.411 2.295 30 40 EEEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)cc1 48503379 YBWWAFJNPCHDDZ-UHFFFAOYSA-N 328.349 2.187 30 40 EEEB Cc1cc(S(=O)(=O)N(CCC#N)C[C@@H]2CCOC2)ccc1F 65626756 SJTDBRHMPYNEJG-ZDUSSCGKSA-N 326.393 2.075 30 40 EEEB CN(CCOc1ccc(C#N)cc1)C[C@@H]1CCCN1c1cccnn1 71859949 GHULJRDKXRZKFG-KRWDZBQOSA-N 337.427 2.328 30 40 EEEB CO[C@@H]1C[C@@H](c2nncn2C)N(c2cc(C#N)c3ccccc3n2)C1 583616898 WFZLSBZXZNCACK-CJNGLKHVSA-N 334.383 2.201 30 40 EEEB C#Cc1cccc(N(CCC(=O)NC(N)=O)Cc2cccs2)c1 69324517 NAZHXFAHTVCDQC-UHFFFAOYSA-N 327.409 2.321 30 40 EEEB N#CCCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)cnc1N 95433729 NKRRTFKVBXJBTK-UHFFFAOYSA-N 340.792 2.015 30 40 EEEB N#Cc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 12655084 QSIITDHPGFSIQN-UHFFFAOYSA-N 334.335 2.090 30 40 EEEB O=C(CC1=[N+]([O-])[C@H]2CCCC[C@H]2N(O)C1=O)c1ccc(Cl)cc1 1406002 NFWXVEMFRLRWKR-QWHCGFSZSA-N 336.775 2.407 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(Cc2ccccc2Br)c1 32907174 ANAJGEKUHJSHJV-UHFFFAOYSA-N 347.168 2.317 30 40 EEEB O=C1CC[C@@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)CN1 78973410 JGRMBIXUBWULJL-QGZVFWFLSA-N 333.391 2.487 30 40 EEEB Cc1nc(CC/N=C(\O)N2CCN(Cc3ccco3)CC2)cs1 44967743 RWLDPKSPCILIGI-UHFFFAOYSA-N 334.445 2.319 30 40 EEEB Cc1cc(NC(=O)NCCCN(C)CC(F)(F)F)n(CCC#N)n1 45983251 IBUZPZMPODGDTN-UHFFFAOYSA-N 346.357 2.111 30 40 EEEB Cc1ccccc1-n1c(S[C@H](C)C#N)nnc1N1CCOCC1 17840364 SOQIIEQZEHTKEY-CYBMUJFWSA-N 329.429 2.417 30 40 EEEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CO)cc1 18088343 RSNFETWWZIRPOF-MRXNPFEDSA-N 339.347 2.223 30 40 EEEB Cc1ccc2oc(N/C(=N\C(=O)C3CC3)NC(=O)C3CC3)nc2c1 4507488 OZGKILYPCGINPI-UHFFFAOYSA-N 326.356 2.367 30 40 EEEB N#Cc1cccc(COC(=O)C[C@@H](NC(N)=O)c2cccs2)c1 14412659 ZCHGDMZSDCWLCW-CYBMUJFWSA-N 329.381 2.463 30 40 EEEB N#Cc1ccc(-c2noc(CCc3nc(-c4ccncc4)no3)n2)nc1 90107302 IMARMCYMVBELNQ-UHFFFAOYSA-N 345.322 2.233 30 40 EEEB N#CCN(CC#N)C(=O)CCN1CCCc2cc(OC(F)F)ccc21 69380496 PXXZYCIIUBWOFC-UHFFFAOYSA-N 348.353 2.306 30 40 EEEB C[C@@H]1CCc2sc3ncnc(N4CCN(CC#N)CC4)c3c2C1 19972625 OTVCQSFXPFRHQP-GFCCVEGCSA-N 327.457 2.462 30 40 EEEB C#Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1 72296073 FHSSNVQNIRJHSD-MRXNPFEDSA-N 343.452 2.240 30 40 EEEB CC/N=C(/NC[C@@H]1CCCO1)NC[C@H]1CCO[C@@H]1c1ccccc1 95406376 RUAFYMVOKZLWSJ-FGTMMUONSA-N 331.460 2.498 30 40 EEEB COC(=O)[C@H](O)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 89396140 VXXOVBLANIGNHG-CQSZACIVSA-N 342.317 2.327 30 40 EEEB Cc1cc(C)nc([C@@H](C#N)C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)n1 76820688 UBKKBVMAGCYFFR-QFYYESIMSA-N 325.416 2.499 30 40 EEEB C[C@H](O)CNC(=O)c1cccc(OCc2ccc(C#N)c(F)c2)c1 195579730 KGKVIDJDKRRZPH-LBPRGKRZSA-N 328.343 2.387 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@@H]2C=O)cc1 242522187 ILELVJOZBHFXDY-BMGDILEWSA-N 344.388 2.479 30 40 EEEB CN([C@@H](c1ccc(F)cc1)c1ncc[nH]1)S(=O)(=O)CCCC#N 585115434 ZUHZXSXBZLNSIT-AWEZNQCLSA-N 336.392 2.204 30 40 EEEB C[C@H](C#N)CN(C)c1cc(Cl)nc(I)n1 1615551922 QHCUBFONBREGQK-ZCFIWIBFSA-N 336.564 2.330 30 40 EEEB Cn1nc(C(=O)OCCOc2ccc(C#N)cc2)c2ccccc2c1=O 22148707 WJUFAOUAJVBFOP-UHFFFAOYSA-N 349.346 2.041 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 225801175 GXJGSKKVQLDBOY-AWEZNQCLSA-N 333.351 2.123 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 104637461 OJDDUZKUJQVSRB-GLKLPLOUSA-N 340.379 2.235 30 40 EEEB C#CCNC(=O)[C@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 22690911 BXIXIPHUWOSQQK-FUHWJXTLSA-N 328.412 2.134 30 40 EEEB CC(C)(C)c1nc(C#N)c(N/N=C/c2ccc(OCC(N)=O)cc2)o1 27698814 DICYJQVYIDQZQU-AWQFTUOYSA-N 341.371 2.154 30 40 EEEB CC/N=C1\S[C@H](C(=O)NCCc2ccccc2)CC(=O)N1CC 13115820 RKLCRMMECYBUFL-DNZUHHBVSA-N 333.457 2.075 30 40 EEEB N#Cc1cccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c1 13349416 DJOQGUABPLQACZ-OAHLLOKOSA-N 348.355 2.192 30 40 EEEB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)[C@H](C#N)c1ccccn1)C2=O 49457170 SBQQZRCYVKHVHV-IUODEOHRSA-N 333.347 2.251 30 40 EEEB COc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1OC 5415750 FIIHJMNLDNEXPY-GZTJUZNOSA-N 334.397 2.325 30 40 EEEB CCn1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)cn1 6637163 VFUJFXRLYWIBRE-CYBMUJFWSA-N 330.417 2.238 30 40 EEEB C/N=C(/N)NCC1(c2ccc(Br)cc2)CCOCC1 66246677 ZGLAQATZXWPSFT-UHFFFAOYSA-N 326.238 2.031 30 40 EEEB C=CCN(CC=C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 67470280 VJXQEMKSZVPRBH-UHFFFAOYSA-N 325.416 2.306 30 40 EEEB CC1(C)C[C@](CCC#N)(C2N3CC4(C)CN2CC(C)(C3)C4O)CCO1 19331541 ZIFJKFKHHJEKHG-MNWHUMDKSA-N 347.503 2.210 30 40 EEEB biogenic COc1ccccc1CN(CCO)c1ccc([N+](=O)[O-])cc1C#N 71920554 PDSKVKKDAQMLLR-UHFFFAOYSA-N 327.340 2.474 30 40 EEEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccco1 217493039 RDEDSXRYIOXSJB-UHFFFAOYSA-N 336.369 2.054 30 40 EEEB N#Cc1cccnc1NCCOC(=O)c1cc2ccccc2oc1=O 78554272 CDQQXRASURVESO-UHFFFAOYSA-N 335.319 2.329 30 40 EEEB C[C@H]1CN(CCN(C)C(=O)Nc2ccc(CC#N)cc2)C[C@@H](C)O1 193731528 BFKADIMOGGNVNJ-GASCZTMLSA-N 330.432 2.326 30 40 EEEB Cc1c(N2CCC[C@H]2CN2CCOCC2)cc(C#N)cc1[N+](=O)[O-] 195570807 RFYJWFIIHWNLRJ-HNNXBMFYSA-N 330.388 2.076 30 40 EEEB N#Cc1ccc(OCCN2CCNC(=O)[C@H]2c2cccs2)cc1 96443542 AJYVXDRLXQBAGL-MRXNPFEDSA-N 327.409 2.172 30 40 EEEB Cn1cc([C@@H]2C[C@H]2C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)cn1 245343812 VUGFDPYXBXMAHW-XHSDSOJGSA-N 346.394 2.196 30 40 EEEB N#C/C(=N\Nc1ccc(Br)cc1)C(=N)N1CCOCC1 67840 RZHVRHKZJWVBON-JAYOHMJJSA-N 336.193 2.050 30 40 EEEB N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccc(F)cc2)c1=N 101067598 SMHXYFIZWPLGAH-UHFFFAOYSA-N 345.337 2.188 30 40 EEEB CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccccc2C#N)CC1 54485592 MRWZVKYBYRSMJJ-UHFFFAOYSA-N 345.399 2.016 30 40 EEEB N#CCc1ccc(OCC(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 64102221 WIAPTFDSPIMDPX-INIZCTEOSA-N 349.394 2.326 30 40 EEEB N#Cc1ccc(OCCN2CCCN(c3ncccc3C#N)CC2)cc1 71824882 KOLXKHNLIAHHCU-UHFFFAOYSA-N 347.422 2.416 30 40 EEEB C/N=C(/NCc1nncn1C)NCC1(c2cccs2)CCCCC1 95963330 NTFWKMWJXHHSDA-UHFFFAOYSA-N 346.504 2.444 30 40 EEEB COC[C@](C)(C#N)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 95991408 NLPBMEDWNHVBJE-INIZCTEOSA-N 332.791 2.493 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/Cc3ccco3)C2=O)c1 408528857 XBDBUCYVUWNNEV-YFEUJDIGSA-N 325.324 2.058 30 40 EEEB CN(CCCS(C)(=O)=O)Cc1ccc(C#N)cc1Br 95994232 QSGMPCROXOGEIA-UHFFFAOYSA-N 345.262 2.187 30 40 EEEB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 96120102 UFXSFBCTWZOZKU-INIZCTEOSA-N 348.468 2.305 30 40 EEEB COCCOc1ncccc1N=C(O)N1CCOC[C@H](C2CCC2)C1 330324052 ICLQWWBFFSMTFG-OAHLLOKOSA-N 349.431 2.401 30 40 EEEB Cc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(-c2ccncc2)n1 85558599 BHIFDXGZFVRYRD-UHFFFAOYSA-N 345.362 2.124 30 40 EEEB CS(=O)(=O)Nc1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1 273656607 DHOLTTCTORIACC-UHFFFAOYSA-N 332.385 2.443 30 40 EEEB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/Nc1ccc([N+](=O)[O-])cc1 6471932 MNHPZSLFBBAGDS-UHFFFAOYSA-N 327.256 2.271 30 40 EEEB Cc1cc(C(=O)Nc2cc(C)nn2CCC#N)c2c(C)nn(C)c2n1 58282709 QVWTZVNNONAJRI-UHFFFAOYSA-N 337.387 2.256 30 40 EEEB COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)nn2CCC#N)c1C 58330131 IGMWMBSLXCLXMP-UHFFFAOYSA-N 329.360 2.089 30 40 EEEB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(C#N)ccc1F 10927012 XNEHGKGHKZCHGK-NSHDSACASA-N 345.399 2.296 30 40 EEEB N#CC1(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])CCCCC1 6060045 DBUALPJWMPBLNI-UHFFFAOYSA-N 331.328 2.094 30 40 EEEB CSc1nc(N2CCN(C)CC2)c2c(c1C#N)CC(C)(C)OC2 4844209 AGTCPCCQTKEKEV-UHFFFAOYSA-N 332.473 2.278 30 40 EEEB CCOc1ccc(NC(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)cc1 7204445 GEEDAKKYLIKHFO-JTQLQIEISA-N 343.412 2.448 30 40 EEEB CC[C@@H]1CN(/C(=N/C)NCc2nncn2C)CC[C@H]1c1ccccc1 97021801 GCYUWWDRNLZBEW-NVXWUHKLSA-N 340.475 2.406 30 40 EEEB C=CCNC(=O)CNC(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 96495649 SZXIQFWDHXJXEH-UHFFFAOYSA-N 341.415 2.221 30 40 EEEB CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc(F)cc3C#N)C2)nn1 583617834 XWBNCJPFUSDPTM-GOSISDBHSA-N 343.406 2.353 30 40 EEEB CCc1cc(N2CCN(c3ncccc3C#N)CC2)nc(SC)n1 1888863609 ZMGIQFJYHIHOFO-UHFFFAOYSA-N 340.456 2.354 30 40 EEEB CCN=C1S[C@@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CC 2032946158 MDFPOSVOUYLSKV-ZDUSSCGKSA-N 335.429 2.364 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 40135224 WJGSYSQYDJVXQJ-HXUWFJFHSA-N 339.483 2.440 30 40 EEEB Cn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O 32480741 SRUJCGHSMDKKEK-UHFFFAOYSA-N 334.335 2.088 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 104055690 XHGRMCOCANZHEW-GXTWGEPZSA-N 334.335 2.068 30 40 EEEB COc1cc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1 3527526 ZPWZTYAMECANAQ-WOJGMQOQSA-N 331.372 2.292 30 40 EEEB CCOC(=O)c1nnsc1/N=C/Nc1ccc(NC(C)=O)cc1 4477824 MHRDLTTWAAOQRM-UHFFFAOYSA-N 333.373 2.445 30 40 EEEB Cc1ccc(S(=O)(=O)N/N=C/c2cccc3nccnc23)cc1 5576312 MNUQPAWDVNPDEU-YBFXNURJSA-N 326.381 2.251 30 40 EEEB N#Cc1c(F)cccc1N1CCN(c2ncccc2C(=O)O)CC1 69153783 CBQKFYDFQYOBJV-UHFFFAOYSA-N 326.331 2.117 30 40 EEEB CCCN(CC#N)C(=O)CNC(=O)c1ccc(Br)s1 97162738 CYSPVUPZPNJPPE-UHFFFAOYSA-N 344.234 2.003 30 40 EEEB C=CCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216890497 UNWNAPXKVCDVOA-UHFFFAOYSA-N 328.393 2.408 30 40 EEEB C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccnc1OCCCC 585101668 MAQZDZIYZSSAKC-INIZCTEOSA-N 333.432 2.348 30 40 EEEB C=CCNC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888875665 OFONOCJOLFEJDT-CALCHBBNSA-N 349.438 2.407 30 40 EEEB CC1=NN(C(N)=S)C(=O)/C1=N\Nc1cc(Cl)ccc1Cl 100005894 PCQKUBCQWLSEKB-SXGWCWSVSA-N 330.200 2.223 30 40 EEEB Cc1cc(C)nc([C@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)n2)n1 76018651 YECFQEAESMCZOL-CQSZACIVSA-N 336.330 2.303 30 40 EEEB Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccc(C#N)cc1F 78555855 SDVWMTSUJGUYBW-HNNXBMFYSA-N 327.363 2.308 30 40 EEEB C=CCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N\c1ccc(F)cc1 4980129 GXOBNHPYHNYRQD-KMJMQOOCSA-N 335.404 2.469 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2nc(C3CC3)no2)CC1 29228991 DKNYVQTVBYRMSO-UHFFFAOYSA-N 340.387 2.006 30 40 EEEB CCCCN1C(=O)C(C#N)=NN(c2ccc(OC)cc2)[C@@H]1OCC 3772042 QKCNCLZSOKCFGD-QGZVFWFLSA-N 330.388 2.344 30 40 EEEB COc1ccc(/C=N/Nc2nnc3c(n2)C(=O)c2ccccc2-3)cc1O 5661789 WPUQUNMCDNEABA-DJKKODMXSA-N 347.334 2.243 30 40 EEEB COc1ccc([C@@H](CN2CCOCC2)Nc2ccc(C#N)cn2)cc1 71841041 TXXTXWWRNBBAQC-GOSISDBHSA-N 338.411 2.447 30 40 EEEB C[C@@](C#N)(CCc1ccccc1)NC(=O)CS(=O)(=O)C1CCCC1 71896431 LOVJIPAICADKBH-SFHVURJKSA-N 348.468 2.375 30 40 EEEB Cc1nc(-c2ccc(CC/N=C(/N)N3CCOCC3)s2)cs1 97001221 VBVGFGCEFFABMQ-UHFFFAOYSA-N 336.486 2.369 30 40 EEEB C#Cc1cccc(NC(=O)N(C)CC(C)(C)CN2CCOCC2)c1 95977176 QKYXENMEQKSPSL-UHFFFAOYSA-N 329.444 2.490 30 40 EEEB C/N=C(\NCc1noc(C)n1)NC[C@@H](C)Oc1ccc(Cl)cc1 88926695 PPPRFKVLFAMBGR-SNVBAGLBSA-N 337.811 2.164 30 40 EEEB CCCc1cc(=O)[nH]c(SCC(=O)Nc2sccc2C#N)n1 9963975 OIGJJCXVACRQGI-UHFFFAOYSA-N 334.426 2.386 30 40 EEEB Cn1cc([C@@](C)(O)CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 96421843 FROHMGVFPXOIRL-SFHVURJKSA-N 341.415 2.250 30 40 EEEB CN(C)CCN1CCN(Cc2cccc(C#N)c2)Cc2cccnc21 96198832 PYULMAXGWQHUAN-UHFFFAOYSA-N 335.455 2.337 30 40 EEEB Cc1cn(C[C@](C)(O)C(F)(F)F)c(=O)n1-c1ccc(C#N)cc1 281840531 LMDKMNZTLVRHAG-AWEZNQCLSA-N 325.290 2.132 30 40 EEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccco1 104229387 NGTCDAQWFICEJY-SXWSKBOKSA-N 346.408 2.324 30 40 EEEB CC[C@@H](C)c1ccccc1N1C[C@@H](/C(O)=N/S(C)(=O)=O)CC1=O 40129815 VBZIUKPCOKFUGD-NEPJUHHUSA-N 338.429 2.469 30 40 EEEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc3c(c2)OCCO3)c1 3474336 WSIGTTDIVUFXOD-WOJGMQOQSA-N 346.408 2.387 30 40 EEEB COc1cccc(-n2c(N)c(C#N)c3c(c2=O)CO[C@H](C(C)C)C3)c1 6760620 FJKMXBFQYLAQEI-KRWDZBQOSA-N 339.395 2.397 30 40 EEEB COc1cc(C(=O)O/N=C2\C=CC(=O)C=C2C)cc(OC)c1OC 4837616 SCOWMESNGFMXFR-QGOAFFKASA-N 331.324 2.310 30 40 EEEB C/N=C(\NCc1nc(C)no1)NC[C@H](C)Oc1ccc(Cl)cc1 95406713 FBSJGAVUANZAJL-JTQLQIEISA-N 337.811 2.164 30 40 EEEB C[C@@H]1CN([C@@H](C/N=C(\N)N(C)C)c2c(F)cccc2Cl)CCO1 170912653 WWVIKNYFFNTSTI-RISCZKNCSA-N 342.846 2.117 30 40 EEEB COC[C@H](C)S(=O)(=O)/N=C(\O)c1csc(-c2ccccc2)n1 73838602 JKKATJJOYWASAX-JTQLQIEISA-N 340.426 2.479 30 40 EEEB CN(C)c1cc[n+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4309957 DIPVJYBBTNWXDB-UHFFFAOYSA-O 335.771 2.240 30 40 EEEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)c1cccs1 36612065 AZMYHLJFELPJRC-UHFFFAOYSA-N 332.307 2.401 30 40 EEEB N#Cc1cnc2c(F)ccc(Cl)c2c1N[C@@H]1CCS(=O)(=O)C1 48343062 ZRAXSURHIXDYNW-SECBINFHSA-N 339.779 2.498 30 40 EEEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c(C)c1 6809466 RQDRCHDJNMIHKF-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB C#CCCN(C)CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 72284314 YMLVHWUBHGPKHV-INIZCTEOSA-N 333.501 2.031 30 40 EEEB N#Cc1ccc(OCCNC(=O)Cn2cc(-c3ccccc3)nn2)cc1 95416879 UXYCKNOMYBHHFW-UHFFFAOYSA-N 347.378 2.012 30 40 EEEB N#Cc1cccc(CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 40069716 YNPMXQBTJZOUQS-UHFFFAOYSA-N 332.363 2.357 30 40 EEEB CC(C)(C#N)C(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 55388450 NINOUMGIKOPFLM-UHFFFAOYSA-N 337.782 2.313 30 40 EEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 101312136 UMTFUYSOVJKKDE-PUSDIMDNSA-N 338.454 2.006 30 40 EEEB COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(C#N)cn3)C2)c1 96409295 HCIUBAYLFBWTNM-OAHLLOKOSA-N 336.395 2.361 30 40 EEEB CCc1cnc(CN(C)C(=O)C#Cc2ccc3c(c2)OCO3)s1 89289657 CQEFORFUJFGBBQ-UHFFFAOYSA-N 328.393 2.444 30 40 EEEB CCOc1cc([N+](=O)[O-])cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1O 408909361 GSCSIJUUOFSGIK-APSNUPSMSA-N 347.287 2.448 30 40 EEEB COCCOc1ncccc1N=C(O)N1CCOC[C@@H](C2CCC2)C1 330324051 ICLQWWBFFSMTFG-HNNXBMFYSA-N 349.431 2.401 30 40 EEEB C=CCO[C@@H]1CCN(Cc2cccnc2OC)[C@H]1Cc1cnn(C)c1 96200244 TUOOUDGDLZOOOF-ZWKOTPCHSA-N 342.443 2.212 30 40 EEEB C[C@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)S1 96424095 ZRUILYUDVLFVOM-NSHDSACASA-N 331.401 2.080 30 40 EEEB N#C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242649236 RXZOEDGZRDOTRR-XYPHTWIQSA-N 327.361 2.495 30 40 EEEB COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2C#N)cc1 30521734 SETRJJHCYAQKRD-UHFFFAOYSA-N 344.392 2.166 30 40 EEEB CC[C@@]1(C)C[C@@]2(CCCN(CC#CCN3CCOCC3)C2)CCO1 4764459 QCWLWXCLQMWJSW-VQTJNVASSA-N 334.504 2.383 30 40 EEEB N#Cc1ccccc1OCCSc1nnnn1Cc1ccco1 58159313 RTUDWVCAMNTSOU-UHFFFAOYSA-N 327.369 2.357 30 40 EEEB Cc1cc(NC(=O)C2CCN(c3nnc(C)c(C)c3C#N)CC2)no1 29441130 MOEJNYKEHBGNAV-UHFFFAOYSA-N 340.387 2.117 30 40 EEEB C=CCN1C(=O)/C(=C/C=C/c2ccc(OC)cc2)C(=O)NC1=S 408965750 LTTBOAUZHRLCEM-GQLYJEGOSA-N 328.393 2.064 30 40 EEEB C/N=C1\S[C@@H](CC(=O)Nc2ccccc2OC(F)F)C(=O)N1C 13471217 UEPRAXTWCPGZBP-PXAAABLISA-N 343.355 2.176 30 40 EEEB CCOC(=O)c1cs/c(=N/N=C/c2cccc([N+](=O)[O-])c2)n1C 5242412 RHXKMLCLSUPDFX-FHDNEQPZSA-N 334.357 2.106 30 40 EEEB C[C@H](CN1CCCC1=O)NC(=O)CCSc1ccc(C#N)cc1 69744824 VAAPXMJFDBLAAE-CYBMUJFWSA-N 331.441 2.168 30 40 EEEB N#Cc1ccc(OCCNC(=O)N2CCC[C@@H]2[C@H]2CCCO2)cc1 225459059 GLTAIUTTWYSVIZ-IAGOWNOFSA-N 329.400 2.290 30 40 EEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C#N)cc1 242574941 NLAXDUJKZPBIPJ-KURKYZTESA-N 342.420 2.164 30 40 EEEB N#CCN1CCC[C@@H](c2ccnc(Nc3nc(C(=O)O)cs3)n2)C1 585291922 HCCHICJUBPENBS-SNVBAGLBSA-N 344.400 2.078 30 40 EEEB CC(C)c1nc(CN2CCCN(c3ncccc3C#N)CC2)no1 64632819 PADKJPMITGHURE-UHFFFAOYSA-N 326.404 2.172 30 40 EEEB COCCCCN/C(=N/[C@@H](C)[C@@H]1CCCO1)NCc1ccccn1 71804092 ROWWRHMVNGDMJT-RDJZCZTQSA-N 334.464 2.111 30 40 EEEB N#Cc1cccnc1N1CCN(c2ccc(-c3ccccn3)nn2)CC1 1775973650 LZUTXLUQJPXWKQ-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB C[C@@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@@H]1C(=O)O 11616937 UQWLOWFDKAFKAP-WCFLWFBJSA-N 325.455 2.399 30 40 EEEB CC[C@]1(C)C[C@]2(CCCN(CC#CCN3CCOCC3)C2)CCO1 4764464 QCWLWXCLQMWJSW-UXHICEINSA-N 334.504 2.383 30 40 EEEB COC(=O)C(=O)C1=C(c2ccco2)NC(=S)N[C@@H]1c1cccs1 102703149 KVOFTZOIBJSBIL-GFCCVEGCSA-N 348.405 2.013 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)NCc3ccsc3)CC2)nc1 50112549 YKFKTONGZNQCEL-UHFFFAOYSA-N 327.413 2.047 30 40 EEEB Cc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)o1 39516839 FZOLCEDTCHNQPG-UHFFFAOYSA-N 327.384 2.356 30 40 EEEB C/C(=N/Nc1cc(C)nc(N2CCOCC2)n1)c1ccc(O)cc1 4812618 SYFWSMLXBMIHNL-MOSHPQCFSA-N 327.388 2.163 30 40 EEEB Cc1ccc2nc(C3=C(N)N(c4cccc(C(=O)O)c4)CC3=O)[nH]c2c1 7995054 PXQTWVLQSYDZGY-UHFFFAOYSA-N 348.362 2.286 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(N2CCCC2=O)c(F)c1 95395541 VWOBNHPXQUQMFK-SFHVURJKSA-N 346.406 2.419 30 40 EEEB CC/N=C(\NCC)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 66244143 SMUDSGWFKHTAGI-HZPDHXFCSA-N 332.492 2.371 30 40 EEEB C[C@H](O)CC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1C#N 96502227 UBUGEUMACPASEW-JTQLQIEISA-N 330.837 2.287 30 40 EEEB C[C@@H](CCc1cccn1C)NS(=O)(=O)Cc1cccc(C#N)c1 96428559 MBXHHNFWZBLUSR-AWEZNQCLSA-N 331.441 2.337 30 40 EEEB O=C1C[C@H](/C(O)=N/S(=O)(=O)c2cccs2)CN1C1CCCC1 48427896 OZBBRPHDTYMUIH-JTQLQIEISA-N 342.442 2.184 30 40 EEEB C[C@@H](CNc1ccc(Br)cc1C#N)N1CCN(C)CC1 97083846 UOEVDQUKMFMKJO-LBPRGKRZSA-N 337.265 2.369 30 40 EEEB COc1cc(OC)c(-c2c(C#N)c(N)nc(OC)c2C#N)c(OC)c1 19152660 OGZJRIIUCOPAFL-UHFFFAOYSA-N 340.339 2.109 30 40 EEEB O=C1N/C(=N\S(=O)(=O)c2ccccc2)S/C1=C/c1cccnc1 19830920 RSYDPBQSNWRHDG-UKTHLTGXSA-N 345.405 2.030 30 40 EEEB CC[S@+](C)CC[S@@+](C)CC[S@@+](C)CC[S@@+](C)CC 100930235 KSFVLIQDMPBFDX-TVFCKZIOSA-N 330.694 2.019 30 40 EEEB Cc1ccc(C)c(OC[C@@H](O)Cn2nc(C)c(C)c(C#N)c2=O)c1C 28915741 UCQLAHCJOARZLI-INIZCTEOSA-N 341.411 2.097 30 40 EEEB Cn1c(=O)c2ccccc2n2c(CNc3ccc(CC#N)cc3)nnc12 12739780 VEQFBCWJYFRTJF-UHFFFAOYSA-N 344.378 2.259 30 40 EEEB Cc1cccc([C@@H]2C[C@H]2C(=O)NS(=O)(=O)c2ccc(C#N)cc2)c1 69570294 YUFANVGBOBJBOX-DLBZAZTESA-N 340.404 2.475 30 40 EEEB C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 69778310 YLKPZXWNWRYBAO-IUODEOHRSA-N 335.835 2.068 30 40 EEEB C#CC(CC)(CC)NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 7781266 JSTMURVAZZFEOY-UHFFFAOYSA-N 337.379 2.451 30 40 EEEB CCOc1cc(/C=C2/SC(=S)N(N)C2=O)ccc1OCC#N 9235029 NQLCAAYIRSYBDA-XYOKQWHBSA-N 335.410 2.063 30 40 EEEB CN(CC(=O)NCC#N)[C@]1(c2ccccc2Cl)CCCCC1=O 71912088 OCWDPLJABSRCTE-KRWDZBQOSA-N 333.819 2.250 30 40 EEEB CC#CCCNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 95467878 LJCVZBZZJOCQAI-NSHDSACASA-N 325.334 2.438 30 40 EEEB COc1cncc(O[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 225498422 LLILZEVOSXALOF-OAHLLOKOSA-N 338.367 2.040 30 40 EEEB COC(=O)C[C@H](NC(=O)CC#N)c1cccc(Br)c1 97377891 FNMNMLFGPWOTJC-NSHDSACASA-N 325.162 2.083 30 40 EEEB C/C(=C\C(=O)[C@@H](C#N)C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 585145974 WDVKFNLOEGZCRE-IEWAYXNBSA-N 330.359 2.233 30 40 EEEB C=CC[C@@H]1N(c2ccccc2OC)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 169620162 KPUKZZKOAUICJR-NTODXPRQSA-N 341.363 2.011 30 40 EEEB N#Cc1cccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889096183 BBEWUKVUWMJLMK-UHFFFAOYSA-N 334.370 2.427 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)c1 2298049587 KFGMRZQMYYVPST-UHFFFAOYSA-N 348.410 2.023 30 40 EEEB COc1ccc(C(=O)[C@H](C#N)C(=O)NC2CCCCC2)cc1OC 103503873 RNZJBXQSHMTNDX-AWEZNQCLSA-N 330.384 2.475 30 40 EEEB CCCc1ccc(S(=O)(=O)/N=C(\O)c2ccc(C(N)=O)cc2)cc1 45098399 CIOHQFYDERKXHC-UHFFFAOYSA-N 346.408 2.432 30 40 EEEB Cc1nc([C@H](NC(=O)c2ccc(C#N)c(C)n2)c2ccccc2)n[nH]1 69812711 KLCMSNZSPXVJDS-MRXNPFEDSA-N 332.367 2.208 30 40 EEEB N#Cc1csc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 93667410 IYPIPVBIYLUCFF-HNNXBMFYSA-N 333.457 2.223 30 40 EEEB CN(C(=O)c1cccc(CC#N)c1)[C@@H](C(N)=O)c1cccc(F)c1 71883930 WPAPNMWMAXTYGN-MRXNPFEDSA-N 325.343 2.190 30 40 EEEB N#Cc1ccccc1OCCN1CCN(C(=O)c2ccsc2)CC1 71821760 CMIODBCBAXDARF-UHFFFAOYSA-N 341.436 2.457 30 40 EEEB C#CC[C@@H](NC(=O)Nc1ccc(OC2CCCC2)c(F)c1)C(N)=O 95942675 QOTHOPDPTPEHEE-CQSZACIVSA-N 333.363 2.146 30 40 EEEB C=CCN(C(=O)c1coc(S(=O)(=O)N(C)C)c1)c1ccccc1 89319533 ICHBQUYTOOSVBP-UHFFFAOYSA-N 334.397 2.363 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1C=C[C@H]2CC1 408724238 ISQAPWPYMXNMQV-BESYPLHISA-N 331.353 2.187 30 40 EEEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccccc2O)C1=O 409081473 PLOUIJBIMRWADN-XFXZXTDPSA-N 347.392 2.350 30 40 EEEB C=CCN1C(=O)COC2(CCN(C(=O)Cc3ccsc3)CC2)[C@H]1C 96201552 BQRVFMLTRUPQQM-CQSZACIVSA-N 348.468 2.085 30 40 EEEB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1cnc(C#N)n1 21914936 MHJPFXCSMMBUTQ-UHFFFAOYSA-N 339.443 2.423 30 40 EEEB C=CCn1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1 10010713 UPLHZFHPCAARSX-UHFFFAOYSA-N 328.159 2.427 30 40 EEEB CCn1nnc2cc(/C(O)=N/c3nc(-c4ccccn4)n[nH]3)ccc21 53524008 UNQOAMZTQPVDLI-UHFFFAOYSA-N 334.343 2.268 30 40 EEEB Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)C(=O)NC(C)C)cc2)n1 103718649 CVGLOYBRNIJFMW-QGZVFWFLSA-N 338.411 2.395 30 40 EEEB CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238221 PPKMIOSTAIZPBQ-LLVKDONJSA-N 342.424 2.315 30 40 EEEB CC(C)n1cc(C#N)c(NC(=O)NC[C@](C)(O)c2cccs2)n1 89894016 HCHNHJCMFCVUAO-HNNXBMFYSA-N 333.417 2.426 30 40 EEEB C=CCOC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2nccn2C1 96187855 LYTNAVCMSXFYTH-HNNXBMFYSA-N 331.441 2.348 30 40 EEEB N#CCN1CCC2(CC1)CC(=O)N(C[C@H]1CCCO1)c1ccccc12 96080258 IOWVAPRWXUIDRK-MRXNPFEDSA-N 339.439 2.459 30 40 EEEB CCNC(=O)Nc1nc2cc(B3OC(C)(C)C(C)(C)O3)cnc2s1 201461186 NZZLECBWDDORQM-UHFFFAOYSA-N 348.237 2.132 30 40 EEEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C/C(=O)C(C)(C)C)C(=O)O2 100904567 OQFCZWWXMYULTF-FMIVXFBMSA-N 337.397 2.310 30 40 EEEB Cc1cccc(/N=C\c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c1 101581571 OWODQZBGVDKMKN-JMIUGGIZSA-N 339.326 2.430 30 40 EEEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(CC(=O)O)c1 78938721 BBYBOZODDLIFBS-UHFFFAOYSA-N 330.365 2.295 30 40 EEEB O=C1CCCC2=C1[C@](O)(C(F)(F)F)C(=O)N2Cc1ccccc1 2504190 KKPSSYKVGIGRGH-OAHLLOKOSA-N 325.286 2.329 30 40 EEEB N#Cc1ccc(OCCN2CCC[C@H]2C(=O)NCc2ccco2)cc1 27142182 MKYRDPGBDCWJGM-SFHVURJKSA-N 339.395 2.311 30 40 EEEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccccc2)s1 27664394 IUEGWKYKBMJGFT-UHFFFAOYSA-N 341.414 2.389 30 40 EEEB Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 48302238 MRTOSPQDFDKXJP-UHFFFAOYSA-N 337.383 2.090 30 40 EEEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC2(O)CCCCC2)C1=O 58323820 VHJUIJYKUTUTEI-QGZVFWFLSA-N 327.384 2.020 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(\O)Cc2ccc3ccccc3c2)cn1 48675981 CSTCZVIAYLDNCD-UHFFFAOYSA-N 329.381 2.461 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(C#N)cc2)C1=O 408526787 GBZSODGVBLYQSW-HNNXBMFYSA-N 346.346 2.468 30 40 EEEB C=CCOc1cccc(NC(=S)NCCCN2CCOCC2)c1 63790958 JCGFVVZXUIUKGY-UHFFFAOYSA-N 335.473 2.260 30 40 EEEB Cc1noc([C@H](C)N2CCN(Cc3ccc(C#N)cc3F)CC2)n1 69351387 GVOBXHIBPLQPTL-LBPRGKRZSA-N 329.379 2.268 30 40 EEEB C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 71914226 YIGWYYNRNRZFDX-DOTOQJQBSA-N 330.428 2.133 30 40 EEEB CC[C@@](C)(CCO)NC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 95972104 MUBBUBOGZNHOEP-IBGZPJMESA-N 344.459 2.377 30 40 EEEB N#CCCN(CC1CC1)C(=O)c1cc(I)c[nH]1 79361740 UFEFVKXCXYGUEK-UHFFFAOYSA-N 343.168 2.385 30 40 EEEB COC(=O)c1cc(NC(=O)[C@](C)(C#N)c2ccccc2)cnc1OC 225960792 XGCNYKHNEZUGGG-GOSISDBHSA-N 339.351 2.297 30 40 EEEB C[C@H](CCc1cccn1C)NS(=O)(=O)Cc1cccc(C#N)c1 96428560 MBXHHNFWZBLUSR-CQSZACIVSA-N 331.441 2.337 30 40 EEEB COc1ncccc1NC(=O)Nc1sc2c(c1C#N)CCNC2 50076294 FZPPSTHMSNHMPS-UHFFFAOYSA-N 329.385 2.313 30 40 EEEB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(N(C)C)ccc1C#N 79072961 LKEZCMLIXABIEA-VXGBXAGGSA-N 331.420 2.049 30 40 EEEB C[C@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 58380455 VXUXLNIIKDPYBX-MINVATMOSA-N 335.429 2.094 30 40 EEEB Cc1cc(C)cc(N(CCC#N)C(=O)CNC(C)(C)C(=O)N(C)C)c1 69814321 BEFGOTXIQOJBSW-UHFFFAOYSA-N 344.459 2.007 30 40 EEEB COc1ccc(COC[C@@H](O)CNC(=O)C2(C#N)CCCCC2)cc1 69841879 WZTZUSCXOLKVHW-INIZCTEOSA-N 346.427 2.163 30 40 EEEB O/N=C/c1ccc(OCC(O)COc2ccc(/C=N/O)cc2)cc1 13115885 OOANQIVEPJLZLF-VNIJRHKQSA-N 330.340 2.122 30 40 EEEB C#CCOc1ccc(CCNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 66192807 CRHVKRZMNAHYFJ-GOSISDBHSA-N 341.455 2.121 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)CSC)cc1OC 67001068 YLYDMLWCDRSQBA-VIFPVBQESA-N 333.431 2.348 30 40 EEEB CCOC(=O)N1CCC(N/C(N)=N/C[C@@H](C)c2ccccc2)CC1 71847210 CGFYMZPVUDDYLY-CQSZACIVSA-N 332.448 2.315 30 40 EEEB CNC(=O)COc1ccc(/C=C/C(=O)c2cccnc2)cc1OC 44012937 PTNJQPSWGFUHBW-FNORWQNLSA-N 326.352 2.111 30 40 EEEB C[C@H](c1cccc(C#N)c1)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 249269357 JWBZWGZLLDIQQK-RHSMWYFYSA-N 333.457 2.119 30 40 EEEB C[C@@H]1CN([C@H]2/C(=N/O)[C@H]3CC[C@H]2C3)CCN1[C@@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345286 NVGJHFALHAUOTL-PTZRFJDISA-N 346.475 2.250 30 40 EEEB C/N=C(\NCCCOC[C@H]1CCCO1)NCc1ccc(COC)cc1 95397726 CNTJYDMDIZWRHH-GOSISDBHSA-N 349.475 2.084 30 40 EEEB Cc1cc(N2CCN(C[C@@H](C#N)CCC#N)CC2)nc(C(C)C)n1 25694293 MHDHHRAOHXAYJS-MRXNPFEDSA-N 326.448 2.474 30 40 EEEB COCCN1C(=O)CCC12CCC(NC(=O)C1(C#N)CCCC1)CC2 2055819378 XWVLWIGHKJLSON-UHFFFAOYSA-N 347.459 2.137 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 225798608 POJKUBCQKLQQCW-AWEZNQCLSA-N 347.378 2.052 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)NCCCN1CCCCCC1=O 40501975 RZIGNGJRQYHZBH-OAHLLOKOSA-N 343.427 2.234 30 40 EEEB C[C@@H](NC(=O)c1cccc(C#N)c1)c1cccc(NS(C)(=O)=O)c1 40515951 MYYCUXHMKWNDRJ-GFCCVEGCSA-N 343.408 2.421 30 40 EEEB N#Cc1ccc(-c2ccccn2)nc1SCCN1CCOCC1 20622583 VFXAODCJIWDKEE-UHFFFAOYSA-N 326.425 2.440 30 40 EEEB COc1nc(N)nc(N2CCCC2)c1/C=N/OCc1ccccc1 32905776 CNJDIDXELXJUSB-YBFXNURJSA-N 327.388 2.218 30 40 EEEB N#C[C@@H](C(=O)CNC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 41495415 KVAGHMHHJJSLFP-AWEZNQCLSA-N 332.363 2.098 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102654603 CYIRFOHUIPKUIU-KKTSLMHWSA-N 335.407 2.140 30 40 EEEB N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCCc2ccccc21 58411565 JCMDIOPSKRZIGR-LJQANCHMSA-N 341.455 2.181 30 40 EEEB N#CC1(NC(=O)CNc2ccccc2C(=O)NC2CC2)CCCCC1 10763249 SLQPUPHKCSUQNP-UHFFFAOYSA-N 340.427 2.333 30 40 EEEB C/N=C1\S[C@H](CC(=O)Nc2ccccc2OC(F)F)C(=O)N1C 13471220 UEPRAXTWCPGZBP-BXWLNTHASA-N 343.355 2.176 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1/C=N/[C@H]1C[C@H]2CC[C@H]1C2 408528305 VRTYOBJYXKFUQX-WQSPYXSOSA-N 343.427 2.129 30 40 EEEB N#Cc1cccc(CC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c1 562715983 HRYOHYKIJBVTKL-XLIONFOSSA-N 333.391 2.237 30 40 EEEB Cc1nc(N2CCC[C@H](CN3CC[C@H](O)C3)C2)c(Cl)cc1C#N 585132801 WOXOUUVBUUMOPG-HIFRSBDPSA-N 334.851 2.198 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 225799742 NVRNWENYWZCYAB-CYBMUJFWSA-N 334.335 2.388 30 40 EEEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)CCO2)c1cccnc1 77945203 QSVQTSDTXHRDCT-GQCTYLIASA-N 330.365 2.375 30 40 EEEB C#CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 20503939 MFSCSGBXHMMZNQ-JENIJYKNSA-N 340.471 2.084 30 40 EEEB biogenic,in-vitro C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1nccn1C(F)F 72766327 FDYNHEVNLOACJS-LBPRGKRZSA-N 339.390 2.441 30 40 EEEB CCCC(=O)N1CCC[C@@H]1/C(O)=N/S(=O)(=O)c1ccc(C)s1 58341893 BTDAUWJMQFADHG-LLVKDONJSA-N 344.458 2.493 30 40 EEEB CCN1C(C(C)=O)=C(OC(=O)C(C)C)c2ccccc2S1(=O)=O 13625410 MMJDTBPDKYICKU-UHFFFAOYSA-N 337.397 2.168 30 40 EEEB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)CC#N)c1 65488263 LIKDAIVEYLVKDA-CYBMUJFWSA-N 337.445 2.091 30 40 EEEB Cc1nn(C(N)=S)c(O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N 6556322 MVRIBBSKOVPODF-ZDUSSCGKSA-N 345.815 2.437 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N\[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408527091 KPOWHHFMHSNGMV-RTWORNNGSA-N 339.395 2.453 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1/C=N/Cc1ccccc1 408526392 AGFPDSJGQAXNKW-XGSJZKQDSA-N 339.395 2.141 30 40 EEEB COC(=O)c1coc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 88524096 LLWAJDOOZXWDSO-SFHVURJKSA-N 339.395 2.449 30 40 EEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(c4ccccn4)C3)C2)n1 96229095 GHSQJPPJHOESIN-FQEVSTJZSA-N 349.438 2.472 30 40 EEEB COC(=O)[C@H](C#N)[C@](C#N)(C(=O)OC)[C@H]1C[C@@H](C(C)(C)C)CCC1=O 248201003 VVYTXKBROITZSS-PAKFGRKTSA-N 348.399 2.014 30 40 EEEB CCOc1ccccc1N1C(=O)C(=O)N(Cc2ccccc2C#N)C1=O 55337570 IXYYEPHGABHVOZ-UHFFFAOYSA-N 349.346 2.452 30 40 EEEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)O1 3299566 KSFFOZCUBWSLPM-LYKUJDHUSA-N 335.699 2.476 30 40 EEEB CCCc1n[nH]c([C@@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1 76049501 LQHMKPDNNZZQTC-HNNXBMFYSA-N 329.379 2.341 30 40 EEEB Cc1ccc(S(=O)(=O)O[C@@H](C(N)=O)c2c[nH]c3ccccc23)cc1 1716961 HNPMMJACKKDAIS-MRXNPFEDSA-N 344.392 2.408 30 40 EEEB N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 47359322 LTNKDHZHZXSYBY-JSGCOSHPSA-N 348.362 2.381 30 40 EEEB C=CCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1COc1cccc(OC)c1 100112489 GDFMOYYTKCYUAD-ZQIUZPCESA-N 337.441 2.443 30 40 EEEB N#CC1(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)CCCC1 53815084 ZOBAGJWKPSCTBE-UHFFFAOYSA-N 325.412 2.434 30 40 EEEB Cn1c(=O)c2ccccc2n2c(CNc3ccc(C#N)cc3)nnc12 12591271 KBVWYZWCYXVNOM-UHFFFAOYSA-N 330.351 2.065 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)c1 27133864 BBKOOLRGQOXVKP-UHFFFAOYSA-N 332.407 2.334 30 40 EEEB C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 12981381 CULHDLKHHUHKLK-LLVKDONJSA-N 337.217 2.413 30 40 EEEB C#CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 13005562 UKVFPUJNASTRHW-UHFFFAOYSA-N 346.383 2.298 30 40 EEEB Cc1c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(C#N)n1C 93534412 RKHLOSLFGGEJME-CQSZACIVSA-N 340.387 2.195 30 40 EEEB CN(C(=O)CN1CCC[C@H]1Cn1cccn1)C1(C#N)CCCCC1 69626991 OEXJLEIRIPTHHZ-INIZCTEOSA-N 329.448 2.032 30 40 EEEB N#Cc1ccc(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)c(F)c1 95417157 IDORUCFNNHBZQM-INIZCTEOSA-N 340.358 2.455 30 40 EEEB N#Cc1cc(NC(=O)Cc2cccnc2)ccc1N1CCC(O)CC1 75180801 ZYHLOGHLIPDXDQ-UHFFFAOYSA-N 336.395 2.096 30 40 EEEB COCCn1nc(Cc2ccc(Br)cc2)c(C#N)c1N 225837967 UEJJPRZTNDQLLQ-UHFFFAOYSA-N 335.205 2.337 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)c(F)c1 377301 FNEAMGZQLBPEED-ZDUSSCGKSA-N 335.306 2.429 30 40 EEEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)C[C@H]1CCCO1 54489606 SATUWAKXMDVEEJ-LLVKDONJSA-N 328.346 2.118 30 40 EEEB Cc1ccsc1/C=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 5414086 SCHNSCVFLLKIRG-VGOFMYFVSA-N 340.386 2.058 30 40 EEEB COc1ccccc1-n1c(N)c(C#N)c2c(c1=O)CO[C@H](C(C)C)C2 6759239 VRHXIFCCTCZZSD-KRWDZBQOSA-N 339.395 2.397 30 40 EEEB N#Cc1cnc(SCC(=O)N(C2=CCCCC2)C2CC2)nc1N 7813618 YRGPDROQWUZLBE-UHFFFAOYSA-N 329.429 2.471 30 40 EEEB CC[C@@H](NC(=O)NCCn1cc(C#N)cn1)c1cc(F)ccc1F 84733987 GROFRZLRKMQXLZ-OAHLLOKOSA-N 333.342 2.483 30 40 EEEB CC[C@H](NC(=O)NCCn1cc(C#N)cn1)c1cc(F)ccc1F 84733983 GROFRZLRKMQXLZ-HNNXBMFYSA-N 333.342 2.483 30 40 EEEB N#CCC(=O)N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 97097472 WBAJJCFGLZXSSJ-CYBMUJFWSA-N 339.317 2.226 30 40 EEEB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCCc1cccc(C#N)c1 252490523 KWEXVNZZQNXPAV-LSDHHAIUSA-N 342.443 2.189 30 40 EEEB COc1ccnc(N2CCC[C@H](COc3cc(C#N)ccn3)C2)n1 1776007718 BFLGYELENUVUME-AWEZNQCLSA-N 325.372 2.047 30 40 EEEB C=CCSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C 4139180 VUSMEHDBSMALOP-UHFFFAOYSA-N 346.437 2.034 30 40 EEEB N=C(N)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 102238991 OLMIXSSGPZMRFX-XSFVSMFZSA-N 327.775 2.074 30 40 EEEB COc1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1OC 103502588 MIWZZPKQMXGLNF-HZRUHFOJSA-N 328.368 2.048 30 40 EEEB C=CCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21 2361352 SHXZDDDWMMWYOQ-UHFFFAOYSA-N 326.356 2.156 30 40 EEEB N#Cc1ccc(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 12976884 GTSJLVVZICTEFE-MRXNPFEDSA-N 330.409 2.341 30 40 EEEB CC[C@@H](CNC(=O)c1ccc(C#N)cc1)NC(=O)c1ccc(C#N)cc1 65490588 MBWBYZLPSXYQSX-SFHVURJKSA-N 346.390 2.368 30 40 EEEB Cn1c(N[C@@H]2c3ccccc3CCC2(C)C)c(C#N)c(=O)n(C)c1=O 84673605 TXVKKMGHZWUNLK-OAHLLOKOSA-N 338.411 2.081 30 40 EEEB Cc1cccc2nc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cn12 68944243 PVZGNUFDECNSOS-UHFFFAOYSA-N 344.371 2.132 30 40 EEEB Cc1ccc(N(CCC#N)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 69485443 YDUJYCMJKGOLQT-UHFFFAOYSA-N 327.344 2.437 30 40 EEEB CCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1OCC 97940154 KFAJNYGCCUDKDX-UXBLZVDNSA-N 333.340 2.104 30 40 EEEB N#Cc1cccc([C@@H]2CN(c3ncnc4c3nnn4C3CC3)CCO2)c1 1615585793 LJLRPZNOMCLUDH-HNNXBMFYSA-N 347.382 2.006 30 40 EEEB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(O)c1 22123524 FTBXUMDEZMVEEK-DIFFPNOSSA-N 334.372 2.001 30 40 EEEB C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C 100233160 SDBITTRHSROXCY-SVSKDHLKSA-N 334.456 2.233 30 40 EEEB biogenic,in-vitro COc1ccc(OC)c2c1CN(c1nnc(C)c(C)c1C#N)C[C@H]2O 24054948 RXHKRYSQOZFVQA-CQSZACIVSA-N 340.383 2.036 30 40 EEEB Cc1nn(CCC(=O)Nc2ccccc2Cl)c(=O)c(C#N)c1C 12817419 QOGNBLSAAAGRSL-UHFFFAOYSA-N 330.775 2.414 30 40 EEEB C/N=C1\S/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)C(=O)N1C 4704692 IJZNKIIVZLXZOJ-IJVIYKIMSA-N 340.788 2.335 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1N1CCCC1=O 15361468 JYBRWKSJIUVNLH-SFHVURJKSA-N 328.416 2.280 30 40 EEEB C=CCNC(=O)NC(=O)CSc1nc(NCC)c2ccccc2n1 9690469 AMIVOJFZGQVUPV-UHFFFAOYSA-N 345.428 2.166 30 40 EEEB COc1cccc2c(C)nc(Nc3nc(C)c(CC#N)c(=O)[nH]3)nc12 20673251 NAOLQQZYSCOINA-UHFFFAOYSA-N 336.355 2.148 30 40 EEEB COC(=O)CCCS(=O)(=O)/N=C(O)/C=C(\C)c1cccc(F)c1 96457160 DWDSPKZOEMDZSE-PKNBQFBNSA-N 343.376 2.469 30 40 EEEB COCCN/C(=N/[C@@H]1CCOc2ccccc21)NCc1ccco1 95405053 UBWZWOURQPLHIX-MRXNPFEDSA-N 329.400 2.485 30 40 EEEB N/C(=N/Cc1cc(F)cc(F)c1)N1CCN(c2nccs2)CC1 95948310 LTYUXYIZRCZDKV-UHFFFAOYSA-N 337.399 2.058 30 40 EEEB COc1cc(C(C)=O)ccc1OCC(=O)N(C[C@@H](C)C#N)C1CC1 89895854 YBNLFDRBQKRSAJ-LBPRGKRZSA-N 330.384 2.427 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccccc1F 408528045 QMJSOEIVWDHQHE-JUFZMCDQSA-N 343.358 2.411 30 40 EEEB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)cc1 583622021 YDZMXIHFNPFEFS-PKOBYXMFSA-N 339.395 2.407 30 40 EEEB C[C@H](NC(=O)COc1ccccc1C#N)[C@H](O)c1ccc(F)cc1 95430027 JYRKWVDNWUJBLU-SGTLLEGYSA-N 328.343 2.314 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3)CC2)cc1 253402353 ODXKEDSHWQGCSJ-UHFFFAOYSA-N 343.408 2.185 30 40 EEEB Cc1c(C#N)c(SCCN2C(=O)NC(C)(C)C2=O)nc2c1CCC2 31445674 JEOUHRHJPOXXRT-UHFFFAOYSA-N 344.440 2.173 30 40 EEEB Cn1cccc1/C=N/n1c(O)nc2c([nH]c3ccc(Cl)cc32)c1=O 8743258 ZCMNVGLVYAXZMB-QGMBQPNBSA-N 341.758 2.458 30 40 EEEB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 52828299 MEESVGVSMNLJKE-GFCCVEGCSA-N 336.399 2.111 30 40 EEEB CN(CCC#N)c1ccc(CNCC(C)(C)N2CCOCC2)cc1 22784168 DVJBDBJOCUCZBG-UHFFFAOYSA-N 330.476 2.237 30 40 EEEB C#CCN1CCC(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 71888896 IPADINUCXYIHDN-UHFFFAOYSA-N 341.455 2.417 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 5165112 RIFWWYUEEOSOLB-UHFFFAOYSA-N 339.351 2.163 30 40 EEEB N#Cc1cccnc1NCCNC(=O)CNc1cccc(Cl)c1 69490949 YWQLRVJBPHRLRI-UHFFFAOYSA-N 329.791 2.247 30 40 EEEB C=CCO[C@H](C)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 72278424 GTAPPGVTVYLPCL-SNVBAGLBSA-N 330.306 2.395 30 40 EEEB N#Cc1cc(F)ccc1NC1CCN(CC(=O)N2CCCC2)CC1 95403113 RUHACGSDLLPVAC-UHFFFAOYSA-N 330.407 2.196 30 40 EEEB CS(=O)(=O)c1cccc(N2CCC[C@@H](N3CCCC3)C2)c1C#N 95997095 IFOHQMADVCGORA-CQSZACIVSA-N 333.457 2.026 30 40 EEEB N#CC1(C(=O)NCc2cc(Br)c3c(c2)OCO3)CCC1 89764295 SQNWJCTUBFZACA-UHFFFAOYSA-N 337.173 2.488 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1/C=N/Cc1ccccc1 408526389 AGFPDSJGQAXNKW-DGRVGJGTSA-N 339.395 2.141 30 40 EEEB Cn1cc([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cn1 78556536 VUGFDPYXBXMAHW-HRCADAONSA-N 346.394 2.196 30 40 EEEB O=C(NCC#CCN1CCc2ccccc2C1)c1cc(C2CC2)on1 75165048 JEKZXZIHXKYVGB-UHFFFAOYSA-N 335.407 2.344 30 40 EEEB COC(=O)[C@H](C#N)[C@](C#N)(C(=O)OC)[C@@H]1C[C@H](C(C)(C)C)CCC1=O 230289057 VVYTXKBROITZSS-ZIVKBKJYSA-N 348.399 2.014 30 40 EEEB C=CCOc1ccccc1C(=O)N[C@H]1C[C@H](N2CCOCC2)C1(C)C 585130521 SPWSORJNTCYWRS-ROUUACIJSA-N 344.455 2.481 30 40 EEEB C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(C#N)cc1 1615587798 KWBJWAQONLSECJ-ZDUSSCGKSA-N 334.441 2.310 30 40 EEEB N#Cc1cccc(C(=O)NCC#CCN2CCc3ccccc3C2)c1 75165041 MCZMEISLHHLIAB-UHFFFAOYSA-N 329.403 2.350 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1C1OCCO1 69484421 SFLMSGUAAZNRSG-ZFWWWQNUSA-N 330.384 2.080 30 40 EEEB Cc1nc(C#N)c(N2CCN(C(=O)CSc3ccccc3)CC2)o1 58247156 BDCBGOHVTDELCS-UHFFFAOYSA-N 342.424 2.296 30 40 EEEB N#Cc1cccnc1N1CCCN(CCC(=O)Nc2ccccc2)CC1 58438511 YZDXJCBWMJJKSY-UHFFFAOYSA-N 349.438 2.494 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1 10524325 JINNWMFEWZJTOC-JEJOPICUSA-N 345.395 2.103 30 40 EEEB CC(C)Oc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cn1 48609328 XQRMOCBRCSLAIF-UHFFFAOYSA-N 345.380 2.434 30 40 EEEB COC(=O)[C@@H](C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 69586162 LXDOIZWZTSGJOR-SNVBAGLBSA-N 335.791 2.176 30 40 EEEB C=CCN/C(=N/[C@H](C)[C@@H]1CCCO1)NCc1cccc(NC(C)=O)c1 95350551 XIWQBWSSEDAGGY-KDOFPFPSSA-N 344.459 2.434 30 40 EEEB C/N=C(/NCCNc1ncccc1C#N)N[C@H](C)c1ccc(C)o1 95397523 MDJOXFVRLAXNGZ-CYBMUJFWSA-N 326.404 2.193 30 40 EEEB CCc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)no1 67951702 OOTUDSOETTXEKK-CYBMUJFWSA-N 346.412 2.072 30 40 EEEB N#CCCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 24169809 WIYRWWPMHCKXQH-UHFFFAOYSA-N 348.255 2.213 30 40 EEEB Cc1cc(C)c(C#N)c(N[C@H](C)c2cccc(S(N)(=O)=O)c2)n1 84111491 PCJYDCNBRSSDEZ-GFCCVEGCSA-N 330.413 2.391 30 40 EEEB C=CC1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 97050584 CCUHQRARHWTACB-GJZGRUSLSA-N 332.425 2.115 30 40 EEEB Cc1cnc(N2CC[C@]3(CC(=O)N(c4ccc(C#N)cc4)C3)C2)nc1 96238823 AKTZVMHVZKSICT-IBGZPJMESA-N 333.395 2.290 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C=O)[C@H]2c2ccc3c(c2)OCO3)cc1 242522188 ILELVJOZBHFXDY-ZTFGCOKTSA-N 344.388 2.479 30 40 EEEB COc1cc(C(=O)[C@@H](C#N)C(=O)NCc2cccc(C)c2)cc(C)n1 252509280 YJFAXWDYMYNFPW-MRXNPFEDSA-N 337.379 2.346 30 40 EEEB CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C/C(=N\O)c2sccc21 5714105 QPJOCIVAEUBKKN-CHVKRKBBSA-N 325.390 2.012 30 40 EEEB C#CCn1/c(=N/C(=O)CSC(C)=O)sc2cc(OC)ccc21 100825276 IMUDVYHOTYLZRM-NXVVXOECSA-N 334.422 2.052 30 40 EEEB Cc1ccc(-c2nnn(C[C@@H](O)COc3ccc(CC#N)cc3)n2)cc1 40493457 UPSLWYNUFZLZSE-QGZVFWFLSA-N 349.394 2.155 30 40 EEEB Cc1nnc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 47938760 MGRDVZNWZPVKNF-UHFFFAOYSA-N 344.444 2.314 30 40 EEEB Cc1ccc(C(=O)[C@H](C#N)C(=O)C2CCN(C(=O)N(C)C)CC2)s1 102763778 GKBKMJADOUBOHR-CYBMUJFWSA-N 347.440 2.342 30 40 EEEB C=CCOc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)c1OC 27018023 CLOYBJLALUYVJM-AWEZNQCLSA-N 348.424 2.226 30 40 EEEB C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(c2cc[nH]n2)CC1 58265341 CBTFCQWWTDAXQN-AWEZNQCLSA-N 329.448 2.320 30 40 EEEB CC1CCN(CC(=O)Nc2sc3c(c2C#N)CCN(C)C3)CC1 408581240 HUSKZCUULLPSHG-UHFFFAOYSA-N 332.473 2.278 30 40 EEEB C#CCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 8883715 IJSQMKVTNOIPCG-UHFFFAOYSA-N 328.441 2.274 30 40 EEEB N#CCN(CC#N)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 69898211 RUCZLXBKRNCPJI-UHFFFAOYSA-N 326.337 2.028 30 40 EEEB CN(CCCc1n[nH]c(N)c1C#N)c1cnc2cc(F)c(F)cc2n1 69843932 NBYZQLXODVLFAY-UHFFFAOYSA-N 343.341 2.154 30 40 EEEB Cc1nc(CN2CCN(CCOc3cccc(C#N)c3)CC2)oc1C 71847151 ADPOCDLLVGXSFS-UHFFFAOYSA-N 340.427 2.360 30 40 EEEB C#CCOc1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1 98016252 SWNSEXLJEKTEGB-HNNXBMFYSA-N 327.302 2.228 30 40 EEEB N#Cc1nccnc1NCC(=O)N1CCC(Cc2ccccc2)CC1 75091942 CSDHZKKTKFTWDJ-UHFFFAOYSA-N 335.411 2.241 30 40 EEEB C#CC(C)(C)OC[C@@H](O)C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCC1 226071913 NNDZOKDWEVFNAL-SFHVURJKSA-N 347.435 2.495 30 40 EEEB COc1cc(NS(=O)(=O)C[C@@H]2CCCCO2)c(F)cc1C#N 585136953 ZYHASGDCAUGKJP-NSHDSACASA-N 328.365 2.017 30 40 EEEB CC(C)(C)OC(=O)CCSCc1cc(O)n2ncc(C#N)c2n1 252496070 PEPSCCJEQZKMRR-UHFFFAOYSA-N 334.401 2.272 30 40 EEEB CC(C)Cc1noc(CN2CCCN(c3ncccc3C#N)CC2)n1 58438571 XMYUPEMWRGNZHD-UHFFFAOYSA-N 340.431 2.247 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C[C@@H](O)c2ccccc2)CC1 29226974 OVANAUUBDQDYPO-QGZVFWFLSA-N 338.411 2.279 30 40 EEEB CC[C@H](CO)N1CC(=O)C(c2nc(-c3ccc(C)cc3)cs2)=C1N 6935943 ZARWROBRLLLGGG-CYBMUJFWSA-N 343.452 2.401 30 40 EEEB C#CCNC(=O)COC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 7398971 DMTWWRMTESYEFF-UHFFFAOYSA-N 342.399 2.042 30 40 EEEB C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 8225313 BDXZQPYMNUGYAU-GFCCVEGCSA-N 344.392 2.369 30 40 EEEB N#Cc1cccc(CNC(=O)C(=O)Nc2cccc(N3CCCC3)c2)c1 69618145 KKBBVTFBGXJAHG-UHFFFAOYSA-N 348.406 2.413 30 40 EEEB C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 71903745 PUUHPEIJMCWLCI-DOTOQJQBSA-N 342.443 2.197 30 40 EEEB CCCn1nc(C)c(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1C 95414051 YOJJWFKJDVEALV-MRXNPFEDSA-N 331.464 2.216 30 40 EEEB C#CCOc1ccc(/C=C2/NC(=O)N(CC=C)C2=O)cc1OCC 409127873 RUQPPJXWZCXETL-SDNWHVSQSA-N 326.352 2.176 30 40 EEEB CCOc1ccccc1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 409370656 BTYUAKRAUBJTJM-FWNGOYHISA-N 336.391 2.472 30 40 EEEB C#Cc1cccc(NC(=O)CN(C)c2ccc3nnc(C4CC4)n3n2)c1 195575544 TYOWQVJTFQTMSG-UHFFFAOYSA-N 346.394 2.058 30 40 EEEB CCc1ncnc(N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)c1F 1889078097 NJQLCDUWXYJJPG-DZGCQCFKSA-N 338.390 2.160 30 40 EEEB N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 13470901 QXQAFIAKTXDYFI-KRWDZBQOSA-N 337.379 2.164 30 40 EEEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)cc1 50204788 PAAPDJCQLPIFAZ-UHFFFAOYSA-N 328.349 2.282 30 40 EEEB CC[C@]1(C)C[C@@]2(CCCN(CC#CCN3CCOCC3)C2)CCO1 4764456 QCWLWXCLQMWJSW-WOJBJXKFSA-N 334.504 2.383 30 40 EEEB COc1cc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)ccc1OC(C)C 103502729 NKSFWDIRNFLYJE-CQSZACIVSA-N 330.384 2.427 30 40 EEEB CCN(CC)/C(CC(=O)C(C)(C)C)=N\CCCN1CCN(C)CC1 104200940 IDEPOYYXPUJJHZ-ZZEZOPTASA-N 338.540 2.370 30 40 EEEB C#CCOc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OCC 4363960 XCQQQQPZSSTFLL-RAXLEYEMSA-N 330.409 2.127 30 40 EEEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 4570843 SUXSWKCWZYDIHZ-QGZVFWFLSA-N 338.363 2.381 30 40 EEEB Cc1cc(S(=O)(=O)/N=C(\O)c2c[nH]c(C#N)c2)c(F)cc1F 97049071 LIYHNSNRERPRFK-UHFFFAOYSA-N 325.296 2.167 30 40 EEEB N#Cc1ccccc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8186632 DEDQEXNCRCRVBO-IBGZPJMESA-N 333.347 2.288 30 40 EEEB C#Cc1cccc(N(CC(=O)N2CCC(C(=O)OC)CC2)C(C)C)c1 69348623 VPYVIUUZBIFFOV-UHFFFAOYSA-N 342.439 2.294 30 40 EEEB COc1cc(/C=N/O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409065297 FQUMRJUVSKYPIS-RQZCQDPDSA-N 345.311 2.429 30 40 EEEB N#Cc1cccc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1 96067049 DANIIFLFWHOBRI-SFHVURJKSA-N 332.411 2.283 30 40 EEEB N#Cc1ccc(CS(=O)(=O)Nc2cnn(-c3ccccn3)c2)cc1 97231038 JCVYUVSDZMUXDX-UHFFFAOYSA-N 339.380 2.081 30 40 EEEB Nc1nc(N)c2c(n1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1 10339103 NMIBEBYEPQAJFV-LBPRGKRZSA-N 325.347 2.345 30 40 EEEB C=CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 2170583 YRJBPYUSWPVPES-QGZVFWFLSA-N 344.436 2.295 30 40 EEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O 36784497 HRUCQSQIONJSOK-LJQANCHMSA-N 330.347 2.397 30 40 EEEB C=CCNc1nc(-c2ccc(CCNS(C)(=O)=O)cc2)cs1 8734126 PQQORLJMWNPWGO-UHFFFAOYSA-N 337.470 2.500 30 40 EEEB COc1cccc(CNC(=O)COc2ccccc2C#N)c1OC 6750549 JMTBRYLJBCRGRZ-UHFFFAOYSA-N 326.352 2.271 30 40 EEEB Cn1c(CCC(=O)OCc2ccccc2C#N)nc2ccccc2c1=O 7269184 IRDGKSYNJPMULV-UHFFFAOYSA-N 347.374 2.481 30 40 EEEB Cc1cc([C@@H]2CCCN(CC(=O)NC3(C#N)CCCCC3)C2)n[nH]1 84110925 KTZJQRNXADOMFF-OAHLLOKOSA-N 329.448 2.240 30 40 EEEB N#C[C@@H](C(=O)c1nccn2c(Br)cnc12)c1ccccn1 95455834 PKINUCHKRZOPKC-SECBINFHSA-N 342.156 2.377 30 40 EEEB CN(C(=O)c1cc(C#N)c[nH]1)[C@@H](CO)c1cccc(Br)c1 96487577 ZIMDAQTVPGBMSV-AWEZNQCLSA-N 348.200 2.454 30 40 EEEB C[C@H]1CN(c2nccnc2C#N)CCN1c1ccc(C(F)(F)F)cn1 252548738 QJMSETLWQKGLKF-NSHDSACASA-N 348.332 2.477 30 40 EEEB COc1ccc(OC)c(/C=C2\N=C(N3CCOCC3)SC2=O)c1 5017392 DVFMBZHVWYAPLM-RAXLEYEMSA-N 334.397 2.006 30 40 EEEB C#CCn1cc(CN(C)C(=O)c2cnc3c(C)cccc3c2O)cn1 164975377 VXANVGMSOBBKFA-UHFFFAOYSA-N 334.379 2.351 30 40 EEEB CCCN(CCC)C[C@H]1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)O1 4722219 NHHQAESAQPUBLU-LWLPBDFMSA-N 338.364 2.465 30 40 EEEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1O 12349104 NQBFIEQNRJESQL-HNNXBMFYSA-N 341.371 2.045 30 40 EEEB Cn1cc(/C(N)=N/OCC(=O)Nc2ccc(-c3ccccc3)cc2)cn1 54273052 FHPALBYBRGBVTF-UHFFFAOYSA-N 349.394 2.363 30 40 EEEB C=CCOC[C@H]1CNC(=O)[C@@H]2CCN(Cc3c(C)noc3C)CC[C@H]12 107714978 RFLDISOPNYYISM-BRWVUGGUSA-N 347.459 2.068 30 40 EEEB COc1ccc(-c2csc(C3=C(N)N(C4CC4)CC3=O)n2)cc1 9576019 HQVMNMPNQXNHBE-UHFFFAOYSA-N 327.409 2.493 30 40 EEEB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 3262212 ZDQXBUJDSMYRRC-UHFFFAOYSA-N 337.335 2.312 30 40 EEEB N#CC1(NC(=O)Cn2nnc(-c3cc4ccccc4o3)n2)CCCC1 58324826 SWTAYJLBTYIBLN-UHFFFAOYSA-N 336.355 2.039 30 40 EEEB Cc1cc(C)n2nc(SCC(=O)Nc3sccc3C#N)nc2n1 3466997 BDBZMOZPJSHVGG-UHFFFAOYSA-N 344.425 2.405 30 40 EEEB CNC(=O)c1ccc(/C=C/C(=O)N[C@H](C#N)c2ccccc2OC)cc1 65609460 PXPLDCTURHRQPL-XLNAKTSKSA-N 349.390 2.449 30 40 EEEB CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 19902587 NWBQZFLOWPDTGP-CYBMUJFWSA-N 346.500 2.321 30 40 EEEB C[C@@H](NC(=O)NCc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C 71924623 KFEJHVHKFIEJOM-ZIAGYGMSSA-N 328.416 2.147 30 40 EEEB CC(C)[C@@H](O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 84410381 UEJPWEYRRNWXNU-HNNXBMFYSA-N 328.368 2.477 30 40 EEEB Cc1cccc([C@@H](C(=O)N2CCCn3nc(C#N)cc3C2)N(C)C)c1 65397348 NURZDTLZESFMOE-SFHVURJKSA-N 337.427 2.098 30 40 EEEB N#C[C@]1(C(=O)O)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 218033119 FXZHTSSYVPDVHL-VYDXJSESSA-N 327.361 2.221 30 40 EEEB Cc1nc(CN2CCN(c3c(C#N)cnc4c(C)cccc34)CC2)no1 78251758 OISZQTUHECBETF-UHFFFAOYSA-N 348.410 2.429 30 40 EEEB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cccc(C#N)c2)cn1 96186485 APCRCLYBBAIEJT-QZTJIDSGSA-N 335.411 2.062 30 40 EEEB C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2F)C[C@@H](C)N1CC#N 585126640 DYRQDBANFVLUMY-RKDXNWHRSA-N 329.297 2.301 30 40 EEEB CC(C)c1nc(CN2CCCN(C[C@H](C#N)CCC#N)CC2)no1 69974067 OYVCWADCVFQUSC-HNNXBMFYSA-N 330.436 2.144 30 40 EEEB CC(=O)C1=C(O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 5624870 OACSUKAIVHQATB-GVDBMIGSSA-N 333.340 2.439 30 40 EEEB N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@H]1c1cccnc1 14163300 CZFZGYPEGBEBIU-KGLIPLIRSA-N 331.335 2.197 30 40 EEEB CC1(C)OB(c2cnc(N3CCC(F)(F)CC3)nc2)OC1(C)C 169747354 MOJYSMZHROABNI-UHFFFAOYSA-N 325.168 2.011 30 40 EEEB C=CCOC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cn2)O1 1565548668 HPVNJEDGCXNSEM-BRWVUGGUSA-N 334.391 2.114 30 40 EEEB Cc1cccc(C)c1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776347 LHCCMRNYBASBQF-UHFFFAOYSA-N 328.397 2.298 30 40 EEEB CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc2c(c1)OCO2 34822 FUVPXJLPHWGWDT-MRXNPFEDSA-N 341.319 2.493 30 40 EEEB CCCOc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nnnn21 4368781 CADQBJNINOJPCE-INIZCTEOSA-N 325.372 2.484 30 40 EEEB N#Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24573812 XPFPWCQPCADDCE-LJQANCHMSA-N 335.407 2.362 30 40 EEEB CCCC(=O)N1CCC[C@H]1/C(O)=N/S(=O)(=O)c1ccc(C)s1 58341894 BTDAUWJMQFADHG-NSHDSACASA-N 344.458 2.493 30 40 EEEB C[C@H](Sc1ncnc2c1cnn2C)C(=O)NC1(C#N)CCCCC1 11681691 ATJBURQSWJHCOX-NSHDSACASA-N 344.444 2.187 30 40 EEEB C=CCSC/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 48536264 LFDPNPKVMGFKFC-UHFFFAOYSA-N 343.426 2.412 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@@H](C#N)C(=O)C2CCC2)nc1 69869433 KWZFJSOPZATVRC-CQSZACIVSA-N 335.429 2.088 30 40 EEEB CS(=O)(=O)N=C1C=CC(=C(O)Nc2ccc3c(c2)OCO3)C=C1 409416061 PYFJDOZWVVGJOW-UHFFFAOYSA-N 334.353 2.123 30 40 EEEB Cc1ccc(OC[C@H](C)NC(=O)CN(C)c2ccc(C#N)cn2)cc1 65626287 QKPWMTMILOXIOJ-HNNXBMFYSA-N 338.411 2.282 30 40 EEEB COc1cccc(/C=N/CCNS(=O)(=O)c2ccc(C)cc2)c1 4681947 OOMCXZNIBPNOJP-QGOAFFKASA-N 332.425 2.401 30 40 EEEB C=CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 6904948 SJCPVILWBCPZHC-UHFFFAOYSA-N 325.390 2.367 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccsc1 72277040 VJGOFWKWYUGEOD-UHFFFAOYSA-N 329.425 2.216 30 40 EEEB C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1 95433099 YQWFSJHDNYGAQC-CXAGYDPISA-N 330.409 2.001 30 40 EEEB C=CCN(CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 89893962 ZOTAPADMVPCJRE-AWEZNQCLSA-N 329.849 2.394 30 40 EEEB C=CCNC(=O)CN1Cc2cccn2-c2ccc(Cl)cc2C1=O 225379257 IVWCAGVVEFKNIX-UHFFFAOYSA-N 329.787 2.389 30 40 EEEB Cc1cc2ncc(C#N)c(NC(=O)c3ccc([N+](=O)[O-])cc3C)n2n1 96409205 ZEMGEAUUIREIDI-UHFFFAOYSA-N 336.311 2.378 30 40 EEEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccc2c1OCCO2 96065764 QNFAKXAOHSBCNA-YXJHDRRASA-N 345.395 2.032 30 40 EEEB CC(C)(C)C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(F)c(C#N)c1 275028480 PTNYKVRCOUYCFC-NSHDSACASA-N 342.392 2.255 30 40 EEEB Cc1cc(C(=O)N2C[C@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)c(C)o1 1888856989 IYGHHCPMOISJGO-HZPDHXFCSA-N 336.395 2.372 30 40 EEEB Cn1ncc(C#N)c1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4505118 BVVDNVJWDQLKET-CYBMUJFWSA-N 329.747 2.077 30 40 EEEB N#Cc1cc(NCCS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] 97144615 YIPNYGOHQPVPTK-UHFFFAOYSA-N 331.353 2.352 30 40 EEEB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)Nc2oc(C)c(C)c2C#N)c1 69917855 FQAFBXVAXWXQCR-CHWSQXEVSA-N 329.404 2.451 30 40 EEEB Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C#N)CCC2(CC1)OCCO2 69950603 QEQDZYHIRILPPU-UHFFFAOYSA-N 345.355 2.213 30 40 EEEB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NC1(C#N)CCCCC1 6370853 JSFVVHGNCXMDJH-GFCCVEGCSA-N 340.383 2.451 30 40 EEEB CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 65621009 MQTADMZLWQMESW-QGZVFWFLSA-N 342.443 2.252 30 40 EEEB N#Cc1ccc2nc(N3CCC(N4CCC[C@H]4C(N)=O)CC3)ccc2c1 92924224 ODCATCRTLMUXSQ-SFHVURJKSA-N 349.438 2.025 30 40 EEEB C[C@@H]1CCC[C@H](NC(=O)COC(=O)COc2ccccc2C#N)[C@@H]1C 4979605 WCIVOLDYSFAQFS-FMKPAKJESA-N 344.411 2.421 30 40 EEEB CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1cccc(CC#N)c1 71908073 SGXCUBBQGDZMJV-HNNXBMFYSA-N 346.427 2.431 30 40 EEEB CC(C)(C)[C@H](C#N)NC(=O)CCN1CCN(c2ccccc2)CC1 85438093 VTXNZAHMMBQQMF-KRWDZBQOSA-N 328.460 2.253 30 40 EEEB CC[C@H](CN/C(=N/C)NCc1ccnn1C)Oc1cccc(F)c1 95975028 GJXHHUFJGSOWCI-OAHLLOKOSA-N 333.411 2.082 30 40 EEEB O=C(C1=C(NNS(=O)(=O)c2ccccc2)CCC1)C(F)(F)F 409108532 UZQWYEGQKGMIAH-UHFFFAOYSA-N 334.319 2.039 30 40 EEEB Cc1c(C#N)cccc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 186718509 JMMIUKUHZUVNET-ZDUSSCGKSA-N 330.432 2.176 30 40 EEEB CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCC#Cc2ccccc2)C1 78075803 DPUJRUDSASHZCV-GOSISDBHSA-N 341.455 2.232 30 40 EEEB COc1cc2nc(N3CCC(CC#N)CC3)nc(N)c2cc1OC 542863328 MEGVSCUXJVUHLE-UHFFFAOYSA-N 327.388 2.359 30 40 EEEB N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc2[nH]ccc12 133059424 FUGXLQYQJAZFEI-UHFFFAOYSA-N 347.378 2.444 30 40 EEEB C/N=C(\NCc1cccc(N(C)C)n1)NC[C@H]1CCO[C@@H]1C(C)(C)C 96484699 SQCLPYHZKKOXCM-PBHICJAKSA-N 347.507 2.264 30 40 EEEB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)cc1 583622020 YDZMXIHFNPFEFS-MJGOQNOKSA-N 339.395 2.407 30 40 EEEB CCn1nc(C)c(S(=O)(=O)Nc2ccc(C#N)c(C#N)c2C)c1C 585129187 ATOADPCZVBARFY-UHFFFAOYSA-N 343.412 2.372 30 40 EEEB CCNC(=O)c1ccc(C)c(NCC(=O)NC2(C#N)CCCC2)c1 55857947 ZOSXQWXEBGECJC-UHFFFAOYSA-N 328.416 2.109 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 101372576 AIYGVAUMELHMGK-CYBMUJFWSA-N 340.383 2.394 30 40 EEEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(CC)C1=O 4744526 PUZSPJNHKIVURN-TZFAWSOVSA-N 326.443 2.414 30 40 EEEB CCCCCCCCNC(=S)N(CCC(=O)O)CCC(=O)O 100934592 CWDWHFJYJBSMKG-UHFFFAOYSA-N 332.466 2.473 30 40 EEEB N#C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(OCc2ccccc2)cc1 104393949 HJLBXFPUIUGEEB-MSOLQXFVSA-N 349.390 2.225 30 40 EEEB CNC(=O)[C@H]1CN(Cc2cn3ccccc3c2C#N)c2ccccc2O1 58171403 ZSLXDSCSHBFJFB-LJQANCHMSA-N 346.390 2.325 30 40 EEEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 24092196 OELYWZVAXZUVNA-LPHOPBHVSA-N 335.363 2.059 30 40 EEEB C=CCn1c(SCC(=O)NCC(C)C)nnc1-c1ccncc1 3279696 MNMOUOLQNQUDIX-UHFFFAOYSA-N 331.445 2.390 30 40 EEEB Cn1c(Nc2ccc(OC3CCCC3)cc2)c(C#N)c(=O)n(C)c1=O 29531038 TUQRZPHDMBTKHM-UHFFFAOYSA-N 340.383 2.021 30 40 EEEB N#C[C@@H](C(=O)NC[C@@H]1CCCO1)C(=O)C1(c2ccc(F)cc2)CCC1 48977136 WQFGDMUDALDISQ-JKSUJKDBSA-N 344.386 2.251 30 40 EEEB Cc1ccc(N2NC(=O)/C(=C/c3ccccc3OCC#N)C2=O)cc1 5541394 RQLPMHNRMPBHQP-VBKFSLOCSA-N 333.347 2.359 30 40 EEEB CN(Cc1ccco1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 67090856 BVNYCROXCBDUEO-UHFFFAOYSA-N 339.399 2.357 30 40 EEEB CN(CCN1CCOCC1)C(=O)Nc1ccccc1SCCC#N 67577828 YXLGBLASDWLGQG-UHFFFAOYSA-N 348.472 2.488 30 40 EEEB CC(=O)c1cccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2cccnc2)c1 68901085 YUAMEGBOBSMRIE-GFCCVEGCSA-N 348.380 2.397 30 40 EEEB Cc1c(C#N)cccc1NC(=O)N1CCCN(C(=O)C2CC2)CC1 186718435 KALSCOGGOVJDJR-UHFFFAOYSA-N 326.400 2.343 30 40 EEEB N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(Cl)s1 47280678 UFNVFNJJLRZTMT-UHFFFAOYSA-N 342.833 2.059 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Nc2cccs2)C1 225488616 NNUSGJNJPRWVFL-LLVKDONJSA-N 329.385 2.485 30 40 EEEB CC(=O)N1C[C@@H](Nc2ccc(C)c(C#N)n2)CC[C@@H]1C(F)(F)F 583616726 JESJFUAZWIWYRQ-WCQYABFASA-N 326.322 2.615 30 40 EEEB N#Cc1ccc(C(F)(F)F)cc1NCCCn1cc(CO)nn1 1616033686 BHWBBYLRNOZSMD-UHFFFAOYSA-N 325.294 2.163 30 40 EEEB C=CCN1C(=O)[C@@H](CC)S/C1=N/S(=O)(=O)c1ccc(F)cc1 4537968 FICWTXPVIZUBPT-GASGDFKYSA-N 342.417 2.410 30 40 EEEB COc1cc(NCC(=O)NC2(C#N)CCCC2)cc(OC)c1OC 40460998 RVCYQPGUQPRHQV-UHFFFAOYSA-N 333.388 2.077 30 40 EEEB C=CCN(C(=O)CN1CSCC1=O)c1nc2c(s1)CCCC2 32966772 WZFHUONNRSQDKL-UHFFFAOYSA-N 337.470 2.074 30 40 EEEB COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c1 26017754 FLPLBQWLMHVCCA-NSHDSACASA-N 340.335 2.456 30 40 EEEB COCCN1CC2(CCC1=O)CCN(Cc1ccc(C#N)cc1)CC2 108529859 YOODZXUQNGYYBB-UHFFFAOYSA-N 341.455 2.409 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCCN(C(C)C)C1 58208865 WJEDXUWRIQMOFP-MRXNPFEDSA-N 345.443 2.182 30 40 EEEB O/N=C1\[C@H]2CC[C@@H](C2)[C@@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 100950415 RYIRYRJWGGJWLR-XOMLZULUSA-N 343.427 2.162 30 40 EEEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)CCc1ccccc1 71803632 HJNZNIYBOAOHKB-ZFWWWQNUSA-N 341.429 2.100 30 40 EEEB NC(=O)c1ccc[n+](CC(=O)Nc2ccccc2-c2ccccc2)c1 6652441 CHKFTSWDKYQKNA-UHFFFAOYSA-O 332.383 2.379 30 40 EEEB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(C)CCC#N)cc2)n1 6945272 SFSSWVYFFZYCJI-UHFFFAOYSA-N 340.383 2.018 30 40 EEEB C[C@H](Cn1cncn1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 72281324 UIQRBJBXFZZKFZ-OAHLLOKOSA-N 346.394 2.283 30 40 EEEB CC(C)(CNS(=O)(=O)CC#N)c1ccccc1Br 95975111 UREDWPVTMARLDS-UHFFFAOYSA-N 331.235 2.170 30 40 EEEB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2nc(C)ccc2C#N)C1 548006532 KPLRLQNWOISYHV-KRWDZBQOSA-N 341.440 2.268 30 40 EEEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2ccc(C)cc2)cc1 31623494 UHMNRYFLNGLFBV-BOPFTXTBSA-N 331.397 2.266 30 40 EEEB COc1cnc(N/C(O)=N/[C@@H]2CCCN(c3ccc(C)nn3)C2)s1 329248492 SMYBWGZTVCKUJD-LLVKDONJSA-N 348.432 2.245 30 40 EEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 222286164 CQGBJIWEJYYPTB-SBZFCQSISA-N 339.351 2.434 30 40 EEEB COC[C@@H]1CN(Cc2cc(C#N)ccc2OC)C[C@H]1c1cnn(C)c1 585655550 RDVWUMKDOVXXOZ-ROUUACIJSA-N 340.427 2.162 30 40 EEEB C#CCN1C(=O)S/C(=C\c2ccc(OCC(=O)OCC)cc2)C1=O 15012751 ZNLSDZPQTPBRAF-UVTDQMKNSA-N 345.376 2.298 30 40 EEEB CCCC/N=C(/NCCc1ccn(C(C)C)n1)NCc1nccn1C 78971916 ZGJVBQPPMHOFCR-UHFFFAOYSA-N 345.495 2.276 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)c2cccs2)c1 58188540 ZURYFDSCFGZTPB-UHFFFAOYSA-N 325.367 2.228 30 40 EEEB N#CCCN(CCC#N)C(=O)Cc1csc(-c2cccnc2)n1 58306304 GUHKICKOJSQIDW-UHFFFAOYSA-N 325.397 2.404 30 40 EEEB O=[N+]([O-])c1ccccc1NC(=S)N/N=C/c1ccc(O)c(O)c1O 5694509 AOOQGIHBBWDFHM-VIZOYTHASA-N 348.340 2.032 30 40 EEEB C[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 67470274 SIHATIYRLQPNJB-CQSZACIVSA-N 327.432 2.364 30 40 EEEB N#Cc1cccnc1NCCNC(=O)c1cnc2ccc(F)cc2c1 95442681 PGJKDYCBDZJLFM-UHFFFAOYSA-N 335.342 2.482 30 40 EEEB CCOC(=O)c1cccc(/N=C\c2ccc(OCC(N)=O)cc2)c1 408904903 QFJDEYNGOVBJQP-JAIQZWGSSA-N 326.352 2.478 30 40 EEEB C=CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1C 408764985 AWWPDELKQLRMBR-RAXLEYEMSA-N 328.324 2.453 30 40 EEEB CN1C(=O)C(=Cc2ccc(-c3ccccc3C#N)o2)C(=O)N(C)C1=O 409006258 IKKUOYAJMYAVRY-UHFFFAOYSA-N 335.319 2.252 30 40 EEEB C#CCCCC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 585126157 QKSQDZFOJIUYBU-QHCPKHFHSA-N 335.429 2.143 30 40 EEEB COc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)cc1OC 13111604 ZEHUTGJKFLTPQQ-SFQUDFHCSA-N 334.397 2.406 30 40 EEEB N#CCc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 13688762 VOLMQEPHUQQEPA-IYBDPMFKSA-N 337.379 2.032 30 40 EEEB C=CCc1cc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cc(OC)c1OC 78894890 YYUFGDIXPYKQOD-CJNGLKHVSA-N 332.444 2.454 30 40 EEEB CN([C@]1(C#N)CCOC1)S(=O)(=O)Cc1ccccc1C(F)(F)F 97165113 JHQMWAVGJWACKN-ZDUSSCGKSA-N 348.346 2.150 30 40 EEEB C#CCN1CCC[C@H]1C(=O)Nc1ccc(OCc2nccn2C)cc1 75134030 CBCGEFVKMOLGJR-KRWDZBQOSA-N 338.411 2.035 30 40 EEEB CCN1CCOC1=C1C(=O)CC(c2ccc(OC)c(OC)c2)CC1=O 20800894 WNSAUTAVYGTGQL-UHFFFAOYSA-N 345.395 2.283 30 40 EEEB Cc1nccn1-c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cn1 78556740 VKVLQAOEMFEXLO-UHFFFAOYSA-N 339.380 2.248 30 40 EEEB C[C@@H]1C[C@@H](OC[C@H](S)CN2CCN(CCO)CC2)CC(C)(C)C1 19361279 PURXJYWXKBULRX-BRWVUGGUSA-N 344.565 2.126 30 40 EEEB CCc1cc(=O)n2nc(N(C)Cc3cccc(C#N)c3)sc2n1 44975404 CEYNRZBWPHLRET-UHFFFAOYSA-N 325.397 2.221 30 40 EEEB N/C(=N/OCC(=O)N1CCC(c2ccccc2)=N1)c1cccs1 58537849 ASKSDFSVBILCRT-UHFFFAOYSA-N 328.397 2.022 30 40 EEEB COc1cccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1O 39489276 LJDPXXIZDNVKLS-GFCCVEGCSA-N 346.383 2.289 30 40 EEEB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(CC#N)c1 67732353 JYJLZAZYACAHCP-CQSZACIVSA-N 331.441 2.182 30 40 EEEB COc1ccc(C(=O)NC2(C#N)CC2)c(I)c1 89432763 AZACEWFOFSFZPL-UHFFFAOYSA-N 342.136 2.086 30 40 EEEB N#Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2F)cc1 548232865 XIUJANYEDPFFIV-OAHLLOKOSA-N 348.355 2.192 30 40 EEEB CCOC(=O)c1ccc(N2N=C(C#N)C(=O)N3CCCCC[C@@H]32)cc1 33436175 ITGQTZYABUAKTM-INIZCTEOSA-N 340.383 2.292 30 40 EEEB C=CCN1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 96182315 KLULRQFJYTVEOG-UHFFFAOYSA-N 334.416 2.093 30 40 EEEB CS(=O)(=O)/N=C(\O)COc1ccc(C(=O)c2ccccc2)cc1 48478951 MJRZQQLSPDDHTR-UHFFFAOYSA-N 333.365 2.213 30 40 EEEB COCCN(C)C(=O)[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 95413173 NJRGQYIBRGTPEI-HNNXBMFYSA-N 333.407 2.014 30 40 EEEB N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 12979865 PPFYPCSGQVRECR-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB CCOc1c/c(=N\N=C(\C)c2ccc(Cl)cc2)n(C)c(=O)n1C 17120398 YLCIXWQIBQXSPM-ZKVVTGIPSA-N 334.807 2.101 30 40 EEEB Cc1nc(C(F)F)cc(N2CCN(c3ncccc3C#N)CC2)n1 1888842822 IXSDGFQULMDPAQ-UHFFFAOYSA-N 330.342 2.316 30 40 EEEB C=CCNC(=O)[C@@H](C)OC(=O)c1cnn(Cc2ccccc2Cl)c1 32850601 URGODYGPCALARA-GFCCVEGCSA-N 347.802 2.432 30 40 EEEB Cc1cc(N[C@H]2CCN(c3sccc3C#N)C2=O)ccc1C(N)=O 79048386 WLMGLEPJDZPHBG-AWEZNQCLSA-N 340.408 2.245 30 40 EEEB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1C#N 22278905 CYAYUBGTXLROGV-UHFFFAOYSA-N 344.392 2.498 30 40 EEEB C[C@H](NC(=O)NCC#Cc1ccccc1)C(=O)N1CCCC[C@H]1C 69737756 NIXJXHOTGMMLPG-CVEARBPZSA-N 327.428 2.127 30 40 EEEB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2sccc2C#N)cc1 9501142 JFGCKYBIVLFJFN-UHFFFAOYSA-N 349.437 2.187 30 40 EEEB Cc1ccc(C(=O)N(CC#N)CC#N)cc1I 69529451 AWZAHCJFUQIRPN-UHFFFAOYSA-N 339.136 2.089 30 40 EEEB O/C(=N\CCNc1nccc(C(F)(F)F)n1)c1ncccc1O 71893773 MOCROZYDUVVQKN-UHFFFAOYSA-N 327.266 2.013 30 40 EEEB CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O 53007738 WEYVVCKOOFYHRW-SFHVURJKSA-N 344.319 2.127 30 40 EEEB in-vitro C=C(Br)CN1CCN(C(=O)c2ccccc2O)CC1 95432162 NDJVSDBRLMFXIS-UHFFFAOYSA-N 325.206 2.059 30 40 EEEB C[C@@H](/N=C(/NCCCn1cccn1)NCc1ccco1)[C@H]1CCCO1 95948110 RHQKUJRMNMXLNP-NVXWUHKLSA-N 345.447 2.169 30 40 EEEB C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(C#N)c(C#N)[nH]1 79098848 JGDVFXZHSWJSTK-ZETCQYMHSA-N 333.710 2.352 30 40 EEEB CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 253532655 JZEZLAAJRKPOFM-UGMPVZRSSA-N 346.467 2.377 30 40 EEEB biogenic,in-vitro C#CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 72268226 SWCUXJVZCACLIJ-CJNGLKHVSA-N 331.372 2.480 30 40 EEEB C=CCNC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O 13711857 FCPVUKPBWPQVSN-CYBMUJFWSA-N 330.837 2.187 30 40 EEEB CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 17169598 MJFLHPTUFDDZAL-CYBMUJFWSA-N 330.384 2.127 30 40 EEEB CNc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N 12421061 CIPANDLAVXRKHJ-UHFFFAOYSA-N 346.412 2.430 30 40 EEEB COc1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc1OC 429960 NBYOICWMHJMNAT-VCHYOVAHSA-N 340.387 2.288 30 40 EEEB COc1cc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)ccc1O 500441 TVCVSSGKHFFQAZ-AWQFTUOYSA-N 334.335 2.474 30 40 EEEB N#Cc1ccc(CS(=O)(=O)/N=C(\O)c2ccnc(Cl)c2)cc1 54425964 BBMPQIQNLZYQJJ-UHFFFAOYSA-N 335.772 2.441 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cc1 12508177 IMVAWPFGJKPCIB-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)/N=C(O)/C=C/c2ccco2)c1 58188475 IYIYJWAVCHMTAK-BQYQJAHWSA-N 335.337 2.425 30 40 EEEB CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@@H]1c1cccc(C#N)c1 11201807 LTQWUJLFSRCGQA-MRXNPFEDSA-N 343.383 2.108 30 40 EEEB N#CCSCC(=O)Nc1ccccc1I 48374236 SIRMYUPGOMKASX-UHFFFAOYSA-N 332.166 2.486 30 40 EEEB CN(CCCNC(=O)NCc1ccc(C#N)cc1)CC(F)(F)F 46044296 IJFASKZHJVVTBS-UHFFFAOYSA-N 328.338 2.242 30 40 EEEB N/C(=N\OCC(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 39992613 SCTMAHKZVRZRRG-UHFFFAOYSA-N 347.758 2.344 30 40 EEEB N#CCCn1ncc2c(NC[C@@H](O)c3ccc(F)cc3F)ncnc21 65520104 IYBJVBVEOQTDSD-CQSZACIVSA-N 344.325 2.164 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 96002012 MVMHJALQGBRWEV-OCCSQVGLSA-N 340.832 2.401 30 40 EEEB CC1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 69326084 JVKGHUHYPOGNIZ-UHFFFAOYSA-N 326.400 2.012 30 40 EEEB N#Cc1c(N2CC[C@@H](OCCN3CCCCC3)C2)nc2ccccn12 97082671 SVSICICLESRHHL-MRXNPFEDSA-N 339.443 2.287 30 40 EEEB C=CCN/C(=N/C1CCOCC1)NCc1cccc(OCCOC)c1 72745725 LDFPJORSOCBXRH-UHFFFAOYSA-N 347.459 2.112 30 40 EEEB CCOCCCN/C(=N/[C@H](C)[C@@H]1CCCO1)NCc1ccccn1 95350520 PIVUWKRPTFJPHQ-WBVHZDCISA-N 334.464 2.111 30 40 EEEB C=CC/N=C(\NCCOC)NCc1cccc(NC(=O)CCC)c1 75583056 JLHIJCAMQMEFTR-UHFFFAOYSA-N 332.448 2.293 30 40 EEEB C=CCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)C(=O)NC1=S 223032239 FFCWVJVWUGIHJD-JXMROGBWSA-N 336.800 2.161 30 40 EEEB Cc1cc(C)c(C#N)c(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)n1 519528048 ZGJXRAUINNJFKT-ZDUSSCGKSA-N 341.440 2.378 30 40 EEEB C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 131956124 ZUKWNRPPVVGHLC-LBPRGKRZSA-N 332.379 2.125 30 40 EEEB COc1nn(C)cc1N=C(O)N1CCCN2c3ccccc3C[C@H]2C1 329420268 HGWINEHDGDHZFJ-AWEZNQCLSA-N 341.415 2.111 30 40 EEEB O=C(NC/C(O)=N/c1nc(-c2ccoc2)n[nH]1)c1cc(F)cc(F)c1 71888479 FORWNBRXSUXBCH-UHFFFAOYSA-N 347.281 2.361 30 40 EEEB CCOCCC/N=C(/NCCN1CCCCC1)NCc1ccccn1 75583269 HLIFKVRVWZGMOF-UHFFFAOYSA-N 347.507 2.029 30 40 EEEB N#Cc1ccc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)cc1 108529928 VRUFUFVNJHALCM-UHFFFAOYSA-N 333.395 2.455 30 40 EEEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(N)nc(N)c32)cc1 10339106 KDGHBBDGACRPPR-ZDUSSCGKSA-N 337.383 2.214 30 40 EEEB N#Cc1cccc(OS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 57764946 GCNMBGUSNXMLBN-UHFFFAOYSA-N 328.349 2.211 30 40 EEEB C#CCN(C(=O)/C=C/c1ccc(OCC(N)=O)cc1)C1CCCCC1 65538889 JIDHTIQFRUEHAH-JLHYYAGUSA-N 340.423 2.358 30 40 EEEB COc1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@H]4N3)C(=O)C2)cc1 9287823 RTXBEJBENSJEGR-VHRNVKJDSA-N 340.423 2.426 30 40 EEEB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)/C(O)=N/S(C)(=O)=O 97047346 DYMSPVGOGMRQMP-LURJTMIESA-N 327.328 2.082 30 40 EEEB C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)c2cccc(C#N)c2)CC1 69487408 IXLSVDHWGLQLOT-IRXDYDNUSA-N 340.471 2.189 30 40 EEEB C=CCOc1ccccc1CNS(=O)(=O)c1c(C)nn(C)c1C 69808601 JOOMRLVUHQRXRY-UHFFFAOYSA-N 335.429 2.080 30 40 EEEB CC[C@H](C#N)S(=O)(=O)N(C)C1CCN(Cc2ccccc2)CC1 95439696 HPFLOAYYPWTBTB-QGZVFWFLSA-N 335.473 2.215 30 40 EEEB N#CCCCN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95999727 ANBAWDAQOSTGPY-SFHVURJKSA-N 326.444 2.103 30 40 EEEB CN(C)c1ccc(/C=N\Nc2cn[nH]c(=O)c2Br)cc1 96300394 JUNKVTAHROYPFO-CHHVJCJISA-N 336.193 2.044 30 40 EEEB C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C(=O)NC)c2)CC1 75133472 QVPJHTCBPOBBCG-UHFFFAOYSA-N 348.422 2.347 30 40 EEEB C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\N1CCN(C)CC1 392145 GPDYCZPGOGMDED-HNENSFHCSA-N 344.484 2.474 30 40 EEEB N#Cc1cc2c(nc1N1CC(n3cnc4ccccc43)C1)CCOC2 1775974142 CABNYECACZHXAO-UHFFFAOYSA-N 331.379 2.437 30 40 EEEB Cc1cc(=O)[nH]c(SCC(=O)N(CCC#N)c2ccccc2)n1 15379026 IFXLKJUKFSTLSN-UHFFFAOYSA-N 328.397 2.117 30 40 EEEB CCOC(=O)C1=C(NC(C)=O)S[C@@H]2C(Cl)=C(/C=N/O)CC[C@@H]12 9193850 IZWZFDZCMRHNNA-UOIJQLRPSA-N 344.820 2.376 30 40 EEEB C=CCC1([C@@H](CC(=O)CC)c2ccccc2)C(=O)NC(=O)NC1=O 59369447 KVSVVRONVLHFSR-AWEZNQCLSA-N 328.368 2.068 30 40 EEEB C=CCNC(=O)NC(=O)[C@H](C)Nc1cccc(N2CCCCC2=O)c1 27049108 VJLCYIALVGHMAZ-ZDUSSCGKSA-N 344.415 2.016 30 40 EEEB N#Cc1ccc(NC(=O)CCn2nc(-c3cccs3)oc2=O)cc1 12814818 UOAYVTWCTSXCKZ-UHFFFAOYSA-N 340.364 2.465 30 40 EEEB COc1ccc(/C=N/[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 4371448 UGPNXGYAEZANPN-NGJGBPPBSA-N 330.340 2.117 30 40 EEEB CC[C@@H](C)Oc1cc(C)ccc1CN/C(=N/C)NCc1ncnn1C 95975811 JQHKABATVUGREV-CQSZACIVSA-N 344.463 2.166 30 40 EEEB C=CCN1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)NC1=S 20807364 JVMMSFURFCQBOS-CSNJMMPQSA-N 341.436 2.122 30 40 EEEB N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 96427890 MJIRUEIDOYRAFH-CQSZACIVSA-N 339.848 2.070 30 40 EEEB C#CCN(CC#C)C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 97031917 PGTMDRMJNFZWKZ-HNNXBMFYSA-N 330.428 2.119 30 40 EEEB CSc1ncc(C)c(N2CCN(c3ccc(C#N)cn3)CC2)n1 1888856527 NXZVTNFKCMRKPW-UHFFFAOYSA-N 326.429 2.100 30 40 EEEB NC(=S)N/N=C/c1ccccc1OC(=O)/C=C/c1ccccc1 1465077 MLFVRRPSMGUBNV-OFAWCBBISA-N 325.393 2.473 30 40 EEEB N#Cc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 23386627 DJMOQTLYCVLOPJ-IBGZPJMESA-N 337.423 2.120 30 40 EEEB Cn1cncc1CN1CC[C@@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1 107225980 QMEPEBBTVBUHJS-IEBWSBKVSA-N 337.427 2.137 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1OC 28605442 ZATMQEBIPALTJS-SUQGKYDKSA-N 342.347 2.488 30 40 EEEB N#Cc1cccc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c1 69872392 FFWLOXUEACJWBC-MRXNPFEDSA-N 343.452 2.266 30 40 EEEB CN(C(=O)COc1ccc(CC(=O)O)cc1)C1(C#N)CCCCC1 13421255 IFHUCTIBBJMCKN-UHFFFAOYSA-N 330.384 2.377 30 40 EEEB CC/N=C(/NC1CC1)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 83521679 DYUWTCIVNFTQDQ-AWEZNQCLSA-N 332.448 2.000 30 40 EEEB CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(C)C 71915433 FYEOLGUVCCCWBF-CVEARBPZSA-N 345.443 2.116 30 40 EEEB Cc1ccc(C(=O)N2CCN(Cc3cc(C#N)n(C)c3C)CC2)cc1 97050890 JCDSYHGTJQFJTF-UHFFFAOYSA-N 336.439 2.472 30 40 EEEB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C#N)C=O 225642640 MBXACVAIKIXSNJ-RWMBFGLXSA-N 342.214 2.058 30 40 EEEB COC(=O)C1CCC(Nc2cnn(-c3ncccc3C#N)c2)CC1 192447758 VIWTUOCSIKZKIG-UHFFFAOYSA-N 325.372 2.283 30 40 EEEB Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)oc2c1C(=O)CCC2 193532604 GRHJYKSQOLOXPB-LLVKDONJSA-N 337.335 2.463 30 40 EEEB N#C[C@@H](C(=O)CCS(=O)(=O)C1CCCC1)c1nc2ccccc2[nH]1 48813463 RVEFCLMZTOMXPS-ZDUSSCGKSA-N 345.424 2.487 30 40 EEEB C/C(=N/N=C(\S)N1CCN(c2ccccn2)CC1)c1nccs1 5503060 YEZYPWUWHPJFLE-PDGQHHTCSA-N 346.485 2.370 30 40 EEEB C/C(=N\OCc1nc2c3cnn(C)c3ncn2n1)c1cccs1 5559660 DLJRWAFWQDYZQF-DJKKODMXSA-N 327.373 2.013 30 40 EEEB C=CCN1C(=S)N(c2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 8059706 RVMLRNABIGJCIT-HUUCEWRRSA-N 336.482 2.062 30 40 EEEB Cc1nc(CN2CCN(CCOc3ccccc3C#N)CC2)oc1C 69872015 REBQTWNJJFUTRY-UHFFFAOYSA-N 340.427 2.360 30 40 EEEB C#CCOc1ccc(/C=N/NC(=S)NCC)cc1Br 6843273 UIRCIGRMVBTJCM-CXUHLZMHSA-N 340.246 2.279 30 40 EEEB CCNS(=O)(=O)[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 97163659 GAIKQDLZSGCXTO-NSHDSACASA-N 347.362 2.095 30 40 EEEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnc3ccccc3n2)c1 47194352 JXVUBDSNSPZZHW-UHFFFAOYSA-N 344.374 2.322 30 40 EEEB CC[C@@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 42844014 KEYGCDSXDAWOHH-GFCCVEGCSA-N 343.387 2.436 30 40 EEEB CC/C(=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O 17072523 AVYOUWSUWYQHAU-PEZBUJJGSA-N 349.368 2.393 30 40 EEEB COC(=O)[C@@H](NC(=O)c1ccc(C#N)cc1)c1cc(F)ccc1F 69527736 ROIJCGUBYXTSIT-HNNXBMFYSA-N 330.290 2.481 30 40 EEEB Cc1ccc(C)c(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)c1 69592086 JMDHEJYDICPVHR-UHFFFAOYSA-N 328.393 2.223 30 40 EEEB N#CC1(NC(=O)CN2CC[C@@H](CNc3ccccn3)C2)CCCCC1 97200575 ACTUYEHBBHKMHQ-INIZCTEOSA-N 341.459 2.158 30 40 EEEB N#Cc1c(F)cccc1S(=O)(=O)Nc1ccc(-n2cncn2)cc1 71916103 HVICHWWTLGIFNJ-UHFFFAOYSA-N 343.343 2.079 30 40 EEEB Cc1cc(CN2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)no1 41823548 SOKUQXMYEJEJJB-UHFFFAOYSA-N 338.411 2.132 30 40 EEEB Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c1C 78379941 ZHFLAFNQUQYSGH-NSHDSACASA-N 331.420 2.411 30 40 EEEB N#Cc1ccc(OCCOC(=O)c2ccccc2NCCO)cc1 22148442 FPFWTPCWESMVIY-UHFFFAOYSA-N 326.352 2.198 30 40 EEEB Cc1nc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1C#N 91757587 XAZAEEQDEKERBS-CXAGYDPISA-N 343.333 2.488 30 40 EEEB C=CCO[C@@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1 58111612 GGGVYGCNEIIYOZ-LBPRGKRZSA-N 342.395 2.430 30 40 EEEB CCc1ccc(O)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 58291959 UWRCMAFPBZMHOZ-UHFFFAOYSA-N 336.395 2.184 30 40 EEEB Cc1ccccc1-n1cc(C(=O)NCCNc2ncccc2C#N)cn1 69696692 RBXJIHYYPUXDEZ-UHFFFAOYSA-N 346.394 2.289 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)NCCNC(=O)CC1CCCC1 65622093 LEPPVGRRXWTTJB-UHFFFAOYSA-N 342.443 2.396 30 40 EEEB C=CCCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccsc1C(=O)OC 67785105 UEXFWYFNCKOGBP-SECBINFHSA-N 347.414 2.161 30 40 EEEB Cn1c(Cl)cnc1CN1CCCN(c2ncccc2C#N)CC1 71824872 KNVYBYDVEQTPEF-UHFFFAOYSA-N 330.823 2.052 30 40 EEEB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1cc(C#N)n(C)c1C 72298353 NLRVGTIFVVTOOU-BEFAXECRSA-N 341.459 2.423 30 40 EEEB N/C(=N\Cc1ccc(OCc2ccccn2)cc1)NC[C@@H]1CCCO1 72280352 UITBXGKFOCMOFU-SFHVURJKSA-N 340.427 2.244 30 40 EEEB CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409355130 BVAKYHAJOVYFRY-UHFFFAOYSA-N 339.351 2.392 30 40 EEEB C[C@@H]1CC(=O)C2=C(CC[C@@]3(O)[C@@H](O)c4c(O)cccc4C(=O)[C@H]23)C1 36378717 CRULJZWXPCYLAC-OSXYSESHSA-N 328.364 2.059 30 40 EEEB biogenic,in-vitro Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCSCC3)C2)n1 377933819 XPAZVLVERGMTSO-HNNXBMFYSA-N 330.457 2.054 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)nn1 75172701 ZMEOGEBGOSDIQG-UHFFFAOYSA-N 343.774 2.091 30 40 EEEB C=CCN1CCC(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 226747171 MCKMWJHXCMWCCV-LJQANCHMSA-N 345.418 2.475 30 40 EEEB N#CCCn1ncc2c(NC[C@H]3COc4ccccc4C3)ncnc21 97199905 GECGETIMOPQVFC-ZDUSSCGKSA-N 334.383 2.403 30 40 EEEB N#Cc1ccc(S(=O)(=O)CCn2ccnc2-c2ccncc2)cc1 96450100 JRWZKPZMNCSPEH-UHFFFAOYSA-N 338.392 2.291 30 40 EEEB C[C@@H](CC#N)NS(=O)(=O)c1cnc(N2CCC[C@@H]2C)c(Cl)c1 1615046054 UHMPELKUCWDGNI-QWRGUYRKSA-N 342.852 2.304 30 40 EEEB CC(C)NS(=O)(=O)c1cccnc1N1Cc2ccc(C#N)cc2C1 594603570 KEJRKMKEGNZNHC-UHFFFAOYSA-N 342.424 2.160 30 40 EEEB O=C(O)c1ccc(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 4920234 MCSXOTNOLOIHTL-FRKPEAEDSA-N 329.268 2.468 30 40 EEEB CC/N=C1/S[C@@H](C(=O)NCCc2ccccc2)CC(=O)N1CC 100109820 RKLCRMMECYBUFL-IAFNSTAXSA-N 333.457 2.075 30 40 EEEB O=C(O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 20081879 MHTBBKNZURGJCO-MRXNPFEDSA-N 337.331 2.350 30 40 EEEB COc1ccc(F)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 31080994 YUSWNTQAOYVXJX-UHFFFAOYSA-N 340.358 2.063 30 40 EEEB CCCCCCCCCOC(=O)[C@@H](CC(=O)O)N1CCOCC1 8829133 ICFYFSBXKOOUGB-OAHLLOKOSA-N 329.437 2.456 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2cc(C)cc(C)c2)c(=O)c1C#N 583000 FHESDQOCRGRNBE-UHFFFAOYSA-N 339.395 2.430 30 40 EEEB COc1ccc(CCC(=O)[C@@H](C#N)C(=O)N2CCCCC2)cc1OC 103502516 FLADZFQKVPDLBP-OAHLLOKOSA-N 344.411 2.358 30 40 EEEB N#Cc1ccccc1COC(=O)CCN1C(=O)c2ccccc2C1=O 6884557 HXOZNWQFDYLNSQ-UHFFFAOYSA-N 334.331 2.288 30 40 EEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 5377120 TZHILZQQHPRLHL-UBQVSUSGSA-N 338.454 2.006 30 40 EEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 5377233 UMTFUYSOVJKKDE-UBQVSUSGSA-N 338.454 2.006 30 40 EEEB C#CCOc1cc(F)ccc1NC(=O)NCc1nncn1C1CC1 95409754 AFIFCFHVDNGLQX-UHFFFAOYSA-N 329.335 2.086 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cc1 89780990 ZLWDDFXXVQMUKC-IRXDYDNUSA-N 337.354 2.099 30 40 EEEB CCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc(F)c2ncccc12 95350221 HRUUEACUKPJDMB-SECBINFHSA-N 326.349 2.444 30 40 EEEB N#Cc1cccc(OC[C@H]2CO[C@@H]3CN(C4CCOCC4)C[C@@H]32)c1 96219586 VFWRQANCKRDCTE-KFKAGJAMSA-N 328.412 2.063 30 40 EEEB O=C1CSC(=S)N1/N=C/c1cc(Br)ccc1O 1513831 CXUQOYKAJBBLPQ-UUILKARUSA-N 331.216 2.349 30 40 EEEB CC(=O)NCCC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 100828020 ITLZYNNJLDVWCV-JTQLQIEISA-N 342.182 2.167 30 40 EEEB N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1Cc1cccc(F)c1 54989974 ORVOLNFCVXQDLL-SFHVURJKSA-N 342.418 2.489 30 40 EEEB Cc1cc(N2CCN(C[C@H](C#N)CCC#N)CC2)nc(C(C)C)n1 25694290 MHDHHRAOHXAYJS-INIZCTEOSA-N 326.448 2.474 30 40 EEEB N#Cc1cccnc1NCCNC(=O)NCCc1c(F)cccc1F 58169102 ZDMQRISHGOXXNI-UHFFFAOYSA-N 345.353 2.185 30 40 EEEB C#CCNC(=O)[C@@H](C)N1CCC(Oc2ccccc2OCC)CC1 58218325 QMSOUOZNNGEPIV-OAHLLOKOSA-N 330.428 2.066 30 40 EEEB N#Cc1cccc(CNC(=O)N2CCN(c3nccs3)CC2)c1 44968965 HFEGDNTVWFQOER-UHFFFAOYSA-N 327.413 2.047 30 40 EEEB N#Cc1nc(CN2C(=O)c3ccccc3C2=O)oc1N1CCCCC1 11614603 ZFOLAHHFEYFUPI-UHFFFAOYSA-N 336.351 2.333 30 40 EEEB Cc1nc(NC(=O)CNC(=O)C2CCCC2)sc1SCC#N 48356229 ZFWFUVCPTILSCS-UHFFFAOYSA-N 338.458 2.312 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)N(CCC#N)Cc2ccco2)c1 12874779 DPVLIPVEQNTGHV-UHFFFAOYSA-N 348.380 2.171 30 40 EEEB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C#N)cc1 7054561 NSDJBOZVOFDLAW-UHFFFAOYSA-N 343.408 2.499 30 40 EEEB Cn1c([C@@H](C#N)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21 95455112 FXWHAYYGRILHEY-CYBMUJFWSA-N 348.362 2.226 30 40 EEEB CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118917232 JZEZLAAJRKPOFM-KJNKGYKISA-N 346.467 2.377 30 40 EEEB biogenic,in-vitro CC1(C)OB(c2ccc(F)c(NC(=O)CN3CCCC3)c2)OC1(C)C 675038127 YYUWLVOVGMBPNI-UHFFFAOYSA-N 348.227 2.159 30 40 EEEB N#CCCN(CCC#N)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4277575 AQWMRWWYEAOMJA-UHFFFAOYSA-N 342.764 2.066 30 40 EEEB CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2[C@@H]2O[C@H](c3ccccc3)OC[C@H]21 257157322 QQJPAXYKZQBUAX-DGADGQDISA-N 333.384 2.487 30 40 EEEB in-vitro N#Cc1cccc(CN2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2087132256 MCQSVKQFAJSFLH-INIZCTEOSA-N 349.381 2.017 30 40 EEEB N#Cc1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc1 44978873 UYUWNKPRGUNQNW-MRXNPFEDSA-N 335.411 2.267 30 40 EEEB COC(=O)[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 83030884 WYAMDXVWXDPOQM-MRXNPFEDSA-N 325.324 2.470 30 40 EEEB N#Cc1ccccc1COC(=O)CCc1nc2ccccc2c(=O)[nH]1 7244477 VISQBVPIQSEAFH-UHFFFAOYSA-N 333.347 2.471 30 40 EEEB N#CCc1cccc(C(=O)NCC[S@](=O)Cc2ccccc2)c1 75136865 LZBSTNAXHWTQQC-HSZRJFAPSA-N 326.421 2.431 30 40 EEEB CCCC/N=C(/NCCCn1nc(C)cc1C)NCc1cnn(C)c1 75611997 JNZICRMHHZUHRS-UHFFFAOYSA-N 345.495 2.159 30 40 EEEB Cn1ccnc1CN1CC[C@@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1 96218878 FZUFKLLDPCIILT-PKOBYXMFSA-N 337.427 2.137 30 40 EEEB N#Cc1cc(CNc2ccc(S(=O)(=O)CCO)cc2)ccc1F 97096523 MJKNEMSBGDTSHK-UHFFFAOYSA-N 334.372 2.075 30 40 EEEB NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(Cl)s1 90743875 HVADIVVREYCOFZ-UHFFFAOYSA-N 348.811 2.313 30 40 EEEB C=C1CCN(c2cccc(S(=O)(=O)N3CCC[C@H]4C[C@@H]43)n2)CC1 1615046314 PJYSOLYAGUIEAY-GJZGRUSLSA-N 333.457 2.411 30 40 EEEB C=CC/N=C(\NC[C@@H]1CCN(CCOC)C1)N[C@H](C)c1ccccc1 75583134 IGCZZKBJBISPNJ-MSOLQXFVSA-N 344.503 2.437 30 40 EEEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)[C@@H](C)c2cnn(C)c2)cc1F 95416028 BWUZXWQPTQAOGX-VIFPVBQESA-N 343.355 2.456 30 40 EEEB CC(C)(C)OC(=O)N[C@H]1CC2(C=C(Cl)C(=O)C(Cl)=C2)OC1=O 5714492 CBYOCXODWUSVKK-VIFPVBQESA-N 348.182 2.394 30 40 EEEB CN(/N=C/c1ccccc1[N+](=O)[O-])C1=NS(=O)(=O)c2ccccc21 182780 JWFCIYUATFIWCR-MHWRWJLKSA-N 344.352 2.010 30 40 EEEB N#Cc1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 22748897 RUSQTJIMFLVQLK-IBGZPJMESA-N 335.407 2.362 30 40 EEEB N#Cc1cccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 58331867 BZQSDYOMMRMUNY-UHFFFAOYSA-N 337.383 2.066 30 40 EEEB CN(C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1(C#N)CCC1 58393926 DXPSBPSVHLAQIF-UHFFFAOYSA-N 326.805 2.262 30 40 EEEB N#Cc1ccc(CN2CCN(C(=O)CC[C@@H]3CCCO3)CC2)cc1 46148762 ILLINZNMVIUQNN-SFHVURJKSA-N 327.428 2.162 30 40 EEEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccco3)C(=O)NC2=S)cc1 408766934 XDXBLTFVAUVSEC-CHROMADKSA-N 327.365 2.354 30 40 EEEB C=CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 8271287 RHSLGUQUXJYYIT-UHFFFAOYSA-N 333.413 2.084 30 40 EEEB CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 97034445 RLSVMWKBTVERIP-AWEZNQCLSA-N 343.452 2.458 30 40 EEEB CCO[C@@H]1C[C@H](O)C12CCN(c1nnc(CC)c(CC)c1C#N)CC2 95412081 PDAHWPAYOJDRQO-DLBZAZTESA-N 344.459 2.229 30 40 EEEB CC[C@@H](C#N)S(=O)(=O)NCc1ccc(Br)cc1C 95439682 QTSAFSPIMJTRHT-LBPRGKRZSA-N 331.235 2.479 30 40 EEEB C=CCNC(=O)CCOc1nn(C)c2ccc(Br)cc12 226865447 QFNNKDZCFZXOJU-UHFFFAOYSA-N 338.205 2.407 30 40 EEEB C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c(C)noc1C 96198489 BMFKIAOVJZNWDD-INIZCTEOSA-N 331.420 2.205 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)cc1C(F)(F)F 95441144 BEFYEEVAMCJKGD-GWCFXTLKSA-N 348.346 2.016 30 40 EEEB C/C=C1\C[N@+]2(C)CC[C@]34c5cccc(O)c5N[C@@H]3[C@H](C=O)[C@H]1C[C@H]42 254698153 PJCKBNVXZFTIME-JCNMKYEVSA-O 325.432 2.438 30 40 EEEB biogenic,in-vitro CN1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1C(C)(C)C 585127205 SSDHIKYWZGNPOG-QZTJIDSGSA-N 338.455 2.429 30 40 EEEB N#C[C@H](NS(=O)(=O)c1c[nH]cn1)c1ccc(Cl)c(Cl)c1 92385021 BDCHFNWESPBWDG-JTQLQIEISA-N 331.184 2.260 30 40 EEEB COCCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)n[nH]c1=O 60710996 ROJKWCDITKUTIH-CQSZACIVSA-N 332.429 2.143 30 40 EEEB N#CC1(NC(=O)c2cc(F)c(F)cc2I)CC1 96472799 YUQNUEKARKXTNQ-UHFFFAOYSA-N 348.090 2.355 30 40 EEEB CC(C)(C)n1cc(/C(O)=N/S(=O)(=O)N2CCc3ccccc32)cn1 71859318 MTSYRYYFFPGEJR-UHFFFAOYSA-N 348.428 2.250 30 40 EEEB C#CCn1/c(=N\C(=O)c2cc(C)no2)sc2cc(OC)ccc21 101135204 YLNCUGILUONTJG-WUKNDPDISA-N 327.365 2.382 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)c1 65620809 DVPJHWRVLNBTJR-UHFFFAOYSA-N 335.407 2.031 30 40 EEEB C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 5687058 YXZVRWVQISMPBS-BLLLJJGKSA-N 338.363 2.041 30 40 EEEB Cc1sc2ncn(CC(=O)N[C@@](C)(C#N)C(C)C)c(=O)c2c1C 7382823 CXEHALCDFYPNJL-INIZCTEOSA-N 332.429 2.129 30 40 EEEB N#CCSCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 68532107 JLOGYCQNPXTBHV-CYBMUJFWSA-N 332.404 2.039 30 40 EEEB C=CCSCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 69414535 CDIVCJWHNZRYPS-INIZCTEOSA-N 332.469 2.256 30 40 EEEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(O)c1 408592102 XQTVBULQRYAKDY-JIXVTDHBSA-N 340.379 2.320 30 40 EEEB C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 225921245 HUOXGJWPRBOTBO-HNNXBMFYSA-N 336.457 2.006 30 40 EEEB CC(C)(C)c1ccc(S(=O)(=O)/N=C(/O)CCn2ccnn2)s1 330032296 LRXVMRHWLIWCSV-UHFFFAOYSA-N 342.446 2.373 30 40 EEEB Cn1cncc1CN1CC[C@@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1 96218884 QMEPEBBTVBUHJS-PKOBYXMFSA-N 337.427 2.137 30 40 EEEB CN1CCC[C@@H]1c1cc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)n[nH]1 1631012291 NRDXFMSIICCMGZ-OAHLLOKOSA-N 335.371 2.177 30 40 EEEB CC[C@@H](C)N/C(=N/Cc1ccccc1)NC[C@@H]1CCN(CCOC)C1 72271832 CHPYBNWEEVYJKO-MJGOQNOKSA-N 346.519 2.489 30 40 EEEB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)/N=C1/NCCS1 53160655 YTHKUOFAJJBXPR-UHFFFAOYSA-N 326.805 2.263 30 40 EEEB Cc1cc(-c2ccc(/C=N/NC(=N)N[N+](=O)[O-])o2)c([N+](=O)[O-])cc1C 2190221 CIWOLLSZEDFKRE-FRKPEAEDSA-N 346.303 2.111 30 40 EEEB CCOC(=O)/C(=N\Nc1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F 5457190 MTQLIGXZJKRJDF-MFOYZWKCSA-N 333.222 2.057 30 40 EEEB C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccc(OC)c2)c1 40554102 HMZGNZZOUYMFOV-UHFFFAOYSA-N 336.391 2.316 30 40 EEEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCO)cc1 102798852 MOKAQXHDEUPJSX-GROYHEBESA-N 337.375 2.409 30 40 EEEB N#Cc1cccn(C(=O)CCN2CCSC2=O)/c1=N/C1CCCC1 104006794 MYTVORCVTYHSGO-KNTRCKAVSA-N 344.440 2.402 30 40 EEEB N#CCCNC(=O)CN1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106183676 NYULTMUUKNJJHS-RBUKOAKNSA-N 340.471 2.145 30 40 EEEB C[C@H](Oc1cccc(/C=C2\CCc3c(cnn3C)C2=O)c1)C(=O)O 58297163 CEIPWSMLYURQHP-ZWSXMNCCSA-N 326.352 2.485 30 40 EEEB CCCn1c(=O)n(CC(=O)N(CC)C[C@@H](C)C#N)c2ccccc21 48367374 HRSYTCBHSHRDPI-AWEZNQCLSA-N 328.416 2.221 30 40 EEEB C=CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 14185128 YJCMJMLZWWLPPZ-UHFFFAOYSA-N 344.436 2.180 30 40 EEEB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1cccc(C#N)c1 96439205 UQBOLRVRCSEAKI-GFCCVEGCSA-N 325.416 2.339 30 40 EEEB Cc1nc(C)n(C[C@H]2CCCN2CCOc2ccc(C#N)cc2)n1 69464249 ZQMOKSDFADPWAC-QGZVFWFLSA-N 325.416 2.310 30 40 EEEB C[C@H](C(=O)N[C@@](C)(C#N)CCc1ccccc1)N1CCCCC1=O 95431827 FSSHNHIEXLMUFH-DNVCBOLYSA-N 327.428 2.419 30 40 EEEB N#CCCN(CCN1CCOCC1)C(=O)Nc1cc(F)ccc1F 80171819 BIGUYMGJMNGDGK-UHFFFAOYSA-N 338.358 2.045 30 40 EEEB N#Cc1cccc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 96183394 KQMSRISUQMWCSK-LEWJYISDSA-N 348.450 2.429 30 40 EEEB N#Cc1cccc(N2CCC[C@]3(C2)CN(c2cnccn2)CCO3)c1 96074744 AKJWWGQBKJYGFO-IBGZPJMESA-N 335.411 2.224 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)NCCC#N)C1 1615571375 KNPIMYXXSOWPQS-KBPBESRZSA-N 336.436 2.331 30 40 EEEB C=CCNC(=O)COc1c(F)cc(Br)cc1C(C)=O 96009559 MBTHOFFFXTXWFR-UHFFFAOYSA-N 330.153 2.472 30 40 EEEB CCOC(=O)c1[nH]c(CS/C(=N/C)NC)c(C(=O)OCC)c1C 6488968 OOAZAPYNVNRSPH-UHFFFAOYSA-N 341.433 2.115 30 40 EEEB C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)CC1 79033088 YWSROZCESXQPFZ-OALUTQOASA-N 326.440 2.448 30 40 EEEB C[C@@H](NC(=O)NCC#Cc1ccccc1)C(=O)N1CCCC[C@H]1C 69737754 NIXJXHOTGMMLPG-HZPDHXFCSA-N 327.428 2.127 30 40 EEEB CCCCS(=O)(=O)OCCCCOS(=O)(=O)CCCC 104334352 SKJFOVJJWAYVNQ-UHFFFAOYSA-N 330.468 2.060 30 40 EEEB C=CCNC(=S)NNC(=S)Nc1ccc(Br)cc1 9189534 OHPYFJPNCBTFKU-UHFFFAOYSA-N 345.291 2.301 30 40 EEEB CCCCN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 103541747 YVEVAAHLEQKBBW-ICBNADEASA-N 345.439 2.088 30 40 EEEB in-vitro O=C(CO/N=C/c1cccs1)N1CCN(c2ccccc2)CC1 3290304 BQEKTEPNVCBCMT-QGOAFFKASA-N 329.425 2.447 30 40 EEEB CCCn1c(=O)n(C)c(=O)c2c(S[C@H](C)C#N)nc(C(C)C)nc21 36810967 AHZSUMBTYLCGNM-SNVBAGLBSA-N 347.444 2.028 30 40 EEEB CS(=O)(=O)Cc1ccc(C(=O)OCc2cccc(C#N)c2)cc1 5621923 TVOGGHOOHMIZMP-UHFFFAOYSA-N 329.377 2.460 30 40 EEEB COC(=O)COc1ccc(/C=N/NCc2ccccc2OC)cc1 20761360 XCNFNWLHMVTSRL-YBFXNURJSA-N 328.368 2.371 30 40 EEEB Cc1cc(C(=O)N2CCN(Cc3cn4ccccc4c3C#N)CC2)on1 69328971 ZTKFPDGSWMZEMJ-UHFFFAOYSA-N 349.394 2.065 30 40 EEEB C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 97033027 LJHFPIUOLRVGIY-FZKQIMNGSA-N 346.394 2.016 30 40 EEEB C[C@H]1OCCN(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1C 95424456 IHCNDCWFHPCXNN-HUUCEWRRSA-N 342.443 2.346 30 40 EEEB CS[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(C#N)ccc1F 95980836 QNGVRTIQRMZHHU-UONOGXRCSA-N 328.434 2.401 30 40 EEEB O[C@@H](CN/C(=N/C1CCOCC1)NCc1ccccc1)c1ccco1 95962621 JPCQZPSBQBXCPP-KRWDZBQOSA-N 343.427 2.227 30 40 EEEB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cc(C#N)n(C)c1C 89948827 YCMKXNIEDSFDSM-RDTXWAMCSA-N 328.460 2.332 30 40 EEEB Cc1cc(C)c(C#N)c(N2CCN(Cc3nccn3C(F)F)CC2)n1 80677177 AVZPMWWZVSAASN-UHFFFAOYSA-N 346.385 2.484 30 40 EEEB CCOCC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 96428009 CAWTXYIJKCYVJJ-UHFFFAOYSA-N 326.393 2.135 30 40 EEEB COC(=O)[C@H](C#N)[C@](C#N)(C(=O)OC)[C@H]1C[C@H](C(C)(C)C)CCC1=O 248201002 VVYTXKBROITZSS-OVSNFEJUSA-N 348.399 2.014 30 40 EEEB Cc1nnc([C@H]2CN(Cc3cn4ccccc4c3C#N)C[C@@H](C)O2)o1 595796895 ZCAHRGBQQJXHMY-SJKOYZFVSA-N 337.383 2.464 30 40 EEEB CCc1nn(C[C@H](O)c2cc(F)ccc2F)c(=O)c(C#N)c1CC 83817734 LWYCTEABBXDOGO-INIZCTEOSA-N 333.338 2.252 30 40 EEEB CCN(C)S(=O)(=O)c1c(C)nn(Cc2ccccc2C#N)c1C 58064439 ZLIIXRREUVUSOG-UHFFFAOYSA-N 332.429 2.060 30 40 EEEB COc1cccc2cc(C(=O)C[n+]3ccc(N(C)C)cc3)c(=O)oc12 2480666 XTINAQIMLIPNAC-UHFFFAOYSA-N 339.371 2.038 30 40 EEEB CN1/C(=C\C(=O)CSc2nnnn2C)C(C)(C)c2ccccc21 12603574 ZYWIRPBJZQTOCS-ZROIWOOFSA-N 329.429 2.183 30 40 EEEB N#Cc1nc(CF)oc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 35681906 WWRSBARDTUKZJR-UHFFFAOYSA-N 344.346 2.067 30 40 EEEB C[C@@H](NC(=O)OC(C)(C)C)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 48454478 ZBANPYBSHUYMEY-SECBINFHSA-N 346.380 2.384 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1F 5270142 SUHYSYZFCKWOTK-UHFFFAOYSA-N 327.359 2.252 30 40 EEEB N#Cc1ncn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 14142947 AHLDQEUNEMNRMZ-UHFFFAOYSA-N 329.669 2.461 30 40 EEEB C=CCN(Cc1nc(O)c2cnn(C)c2n1)Cc1ccccc1F 96179438 QKPCCCFXDJKBCR-UHFFFAOYSA-N 327.363 2.396 30 40 EEEB C[C@@H]1CCc2ccccc2N1C(=O)CSc1ncc(C#N)c(N)n1 9338765 FUQZRJNSRUAPCA-LLVKDONJSA-N 339.424 2.390 30 40 EEEB C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cn2)c1 69674981 DNVWVFIBQJRHFD-UHFFFAOYSA-N 331.397 2.107 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(Cc2nccn2CC(F)(F)F)CC1 71897194 GCOQLQIWRWNXLE-CYBMUJFWSA-N 329.370 2.111 30 40 EEEB CCn1cc(CN2CCCN(C(=O)c3cccc(C#N)c3)CC2)cn1 69571686 ONOSFXPAWNKNAL-UHFFFAOYSA-N 337.427 2.123 30 40 EEEB CCC[C@H](C)CS(=O)(=O)/N=C(\O)[C@@H]1CCCN(C(=O)C2CC2)C1 79029227 BYLGNOGMVURYOE-GXTWGEPZSA-N 344.477 2.358 30 40 EEEB CC[C@H](CC#N)NC(=O)[C@@H](CC(C)(C)O)N(C)C(=O)OC(C)(C)C 585135523 OOHJZWOEJNNACR-CHWSQXEVSA-N 341.452 2.191 30 40 EEEB Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(C#N)cc1 609443087 IJMZZQOFYWDTHE-IBGZPJMESA-N 345.406 2.188 30 40 EEEB Cc1csc(C2=C(N)N(C3CC(C)(C)NC(C)(C)C3)CC2=O)n1 13693051 RYEMXZPQKLCKQE-UHFFFAOYSA-N 334.489 2.273 30 40 EEEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O 51316044 QRFUJBSKCJLVQR-UHFFFAOYSA-N 349.390 2.296 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 51643077 LEIXWSMEOMFIOU-UHFFFAOYSA-N 348.362 2.221 30 40 EEEB C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)c1 23371048 LUWLVGKYIWABNE-UHFFFAOYSA-N 331.349 2.176 30 40 EEEB CC(C)CO[C@H](C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 44953971 XEGYVVYBIAEFOK-MRXNPFEDSA-N 329.444 2.264 30 40 EEEB COC(=O)c1sccc1S(=O)(=O)/N=C(\O)CC[C@@H]1CCCO1 48513683 ZHRQMHPLEZCFDZ-VIFPVBQESA-N 347.414 2.139 30 40 EEEB COc1cccc(-c2nc(C#N)c(NC[C@@H](C)N3CCOCC3)o2)c1 96346080 IJMDZKFVKLEEHG-CYBMUJFWSA-N 342.399 2.354 30 40 EEEB O=C1CN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CCN1 84374424 ASHROTLWWVDADF-UHFFFAOYSA-N 325.393 2.112 30 40 EEEB C[C@@H]1C[C@@H]1C(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1 89920428 RMLHQJLNMIRZPX-QAPCUYQASA-N 327.428 2.127 30 40 EEEB CCOC(=O)c1ccc(CNC(=O)NCC#Cc2ccccc2)o1 80063898 FAORGGULZVDCLP-UHFFFAOYSA-N 326.352 2.307 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 225801153 GXJGSKKVQLDBOY-CQSZACIVSA-N 333.351 2.123 30 40 EEEB COc1c(Br)cccc1CCN=C(N(C)C)N(C)C 195546356 WMHIZVIFIPYSDM-UHFFFAOYSA-N 328.254 2.479 30 40 EEEB CC(=O)C1=C(O)C[C@H]2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O 1563323 UCEDYRRYYRYVBN-MLCYQJTMSA-N 346.335 2.001 30 40 EEEB C=CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1C1CCCCC1 2620449 YJXYVVWMTNFYND-SNVBAGLBSA-N 337.449 2.187 30 40 EEEB CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(C#N)c2)C1 67244488 RBAIDHJQEMABGF-MRXNPFEDSA-N 341.436 2.240 30 40 EEEB N#Cc1cc(F)c(NC[C@]2(N3CCOCC3)CCSC2)c(F)c1 68938298 ZXUSMYORFZZHLN-MRXNPFEDSA-N 339.411 2.456 30 40 EEEB Cc1noc([C@H]2CCCN(CCC(=O)Nc3ccccc3C#N)C2)n1 69703747 IJAJOPGRMJZMNZ-HNNXBMFYSA-N 339.399 2.458 30 40 EEEB CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cnc(C)cn2)C1=O 98050534 YXKSFGJNCSKLBV-KRWDZBQOSA-N 347.419 2.101 30 40 EEEB CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(C#N)cc2F)c1 89323061 ZVVDJJXQKGLCLD-UHFFFAOYSA-N 344.371 2.436 30 40 EEEB CS(=O)(=O)CCN1CCC(Nc2c(Cl)cccc2C#N)CC1 96429459 JPJMWPHMVZRYHS-UHFFFAOYSA-N 341.864 2.133 30 40 EEEB COc1cccc(C(=O)N2CCCN(c3ccc(C#N)nc3)CC2)c1 97227384 JNFGNUZVXJHRFN-UHFFFAOYSA-N 336.395 2.314 30 40 EEEB C=CCn1c(N)nnc1SC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 585093528 NETOKJZPTRBACE-GFCCVEGCSA-N 337.493 2.423 30 40 EEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(N)C#N)cc1 242574942 NLAXDUJKZPBIPJ-SQNIBIBYSA-N 342.420 2.164 30 40 EEEB COc1cc(OC)cc(N2CC[C@@H](CN=C(N(C)C)N(C)C)C2)c1 89121039 YPMYXSLLPZUQRH-AWEZNQCLSA-N 334.464 2.009 30 40 EEEB CCOc1c(Br)cc(/C=N/NC(N)=S)cc1OC 13747374 XGZRPEPADFCOIJ-MKMNVTDBSA-N 332.223 2.024 30 40 EEEB O=C1NC(=S)N=C(O)/C1=N\Nc1ccc(SC(F)F)cc1 6017156 XKNUJXQZRHQQIA-UHFFFAOYSA-N 330.341 2.140 30 40 EEEB COCCCNC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CC[C@H](C)C2 103259693 KKTYTTFHUAZNIS-AAEUAGOBSA-N 334.441 2.348 30 40 EEEB CCN(CC)C(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N 4945419 DSIZBPIYPCVZOL-UHFFFAOYSA-N 337.426 2.127 30 40 EEEB COc1ccccc1CN/N=C/c1ccc(OCC(=O)O)c(OC)c1 20762944 OLSLPHQLDKCDRV-VXLYETTFSA-N 344.367 2.291 30 40 EEEB C#CCOc1ccc(/C=C2\NC(=S)N(CCC)C2=O)cc1OC 3667761 SQDGYKUKDZVKCD-RAXLEYEMSA-N 330.409 2.175 30 40 EEEB N#CC1(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)CCC1 65536141 HMAFOVPUQFUDDP-UHFFFAOYSA-N 349.188 2.463 30 40 EEEB Cc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)NCC#N 69444528 KOOPPCSTNQFUJX-UHFFFAOYSA-N 349.456 2.202 30 40 EEEB CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(n2ccnn2)CC1 95979298 BKRPVNFWWFMDLZ-UHFFFAOYSA-N 339.399 2.171 30 40 EEEB CCc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)C(F)(F)F)cc1 34869601 RIZXNMGMCLEPQI-FMIVXFBMSA-N 339.321 2.259 30 40 EEEB CN1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1c1nc(C2CC2)no1 583617678 DEMUXDMDXBRECA-INIZCTEOSA-N 341.390 2.446 30 40 EEEB COc1cc(B2OC(C)(C)C(C)(C)O2)c(Br)c(OC)n1 642814838 ZBNUFIJXZPMTSZ-UHFFFAOYSA-N 344.014 2.161 30 40 EEEB N#C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1CC1 97096063 JRYKJPAJFKQKNA-LBPRGKRZSA-N 326.183 2.142 30 40 EEEB N#Cc1nc(-c2ccc(F)cc2)oc1NCCCN1CCOCC1 19862940 HLTDXANTFUCEHH-UHFFFAOYSA-N 330.363 2.487 30 40 EEEB Cc1cc(C)c(C#N)c(N2CCC[C@@H](C(=O)N3CCSCC3)C2)n1 1889101379 IOLVTECMPDTSLT-OAHLLOKOSA-N 344.484 2.362 30 40 EEEB C[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1cc(C#N)ccc1F 30382583 BXKIEXMBQNOOKR-GFCCVEGCSA-N 325.409 2.248 30 40 EEEB C=CCn1c(SCC(=O)NCCC(C)C)nc2ncccc2c1=O 31614934 UDZBDDPCGQDWAI-UHFFFAOYSA-N 346.456 2.232 30 40 EEEB COc1ccc(NC(=O)NCCCCCc2n[nH]c(N)c2C#N)cc1 32824194 PXXJKPBYSOLGTI-UHFFFAOYSA-N 342.403 2.407 30 40 EEEB N#C[C@H](C(=O)CNC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 41495412 KVAGHMHHJJSLFP-CQSZACIVSA-N 332.363 2.098 30 40 EEEB Cc1ccsc1-c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12 19299370 ICHPHAFPQURPMA-UHFFFAOYSA-N 329.410 2.468 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-] 500638 DYZVINKXLVASDM-ZDUSSCGKSA-N 344.323 2.059 30 40 EEEB C/N=C1/S[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C 105789634 NVZJXSARVOWIQW-CDSOTZFASA-N 329.784 2.367 30 40 EEEB C=CCn1cccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 1397105 NLCLDDICYILGIS-UHFFFAOYSA-N 344.367 2.312 30 40 EEEB CC(=O)N1CCN(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)CC1 108857231 UUYQUDSISOJFFI-UYRXBGFRSA-N 341.455 2.031 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)CCc3ccccc3F)CC2)nc1 58015745 OWGZMDIQYIYMJH-UHFFFAOYSA-N 338.386 2.374 30 40 EEEB C#CCN1C(=O)S/C(=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)C1=O 409054272 FEQSHVPFYYTIPV-XYOKQWHBSA-N 348.336 2.369 30 40 EEEB CN(CCCOc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1S(C)(=O)=O 89346058 XQDHYEPOMMCCJQ-SJORKVTESA-N 336.457 2.225 30 40 EEEB C[C@](NC(=O)c1ccc(C#N)cc1)(C(N)=O)c1cccc(Cl)c1 89905185 LWNCVDWTEFMZFI-QGZVFWFLSA-N 327.771 2.342 30 40 EEEB C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409128924 PYBICIVUILCWIM-RVDMUPIBSA-N 337.335 2.254 30 40 EEEB C=CCN(Cc1ccn(-c2cccc(F)c2)n1)[C@H]1CCS(=O)(=O)C1 66559788 VREBRAZUMQBVDG-KRWDZBQOSA-N 349.431 2.187 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2)c1 78814057 LDBCQKWIZGACFM-SFHVURJKSA-N 347.418 2.310 30 40 EEEB N#Cc1cccc(CS(=O)(=O)NCCNC2CCCCCC2)c1 95972369 PZLZLLVJFDMSFJ-UHFFFAOYSA-N 335.473 2.290 30 40 EEEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(-n2ccnc2)cc1 101918689 OMWNOKJYQHLARR-OAHLLOKOSA-N 331.335 2.228 30 40 EEEB O=C(Oc1ccc(/C=N/n2cnnc2)cc1)c1cccc([N+](=O)[O-])c1 3194993 NACXBMVHMJQKLP-DJKKODMXSA-N 337.295 2.288 30 40 EEEB N#CCCN1CCN(C2=NC(=O)/C(=C\c3cccs3)S2)CC1 19342584 KOPHRAJFSWLCSC-ACCUITESSA-N 332.454 2.250 30 40 EEEB CCN(CC)C(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2 32074970 SPURWKQUINIVQY-UHFFFAOYSA-N 331.416 2.360 30 40 EEEB C=CCn1c(S[C@@H]2CCCCNC2=O)nc2ccccc2c1=O 32871678 VCGVOIAHKLVWDS-CQSZACIVSA-N 329.425 2.343 30 40 EEEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C)CC(=O)N2 4944195 YUMDZXKWWHLIKD-GFCCVEGCSA-N 325.393 2.278 30 40 EEEB N#Cc1ccc(OCCN2CCN(Cc3cscn3)CC2)cc1 58194835 NIUAEWOOCKBFFB-UHFFFAOYSA-N 328.441 2.211 30 40 EEEB CN(CCOc1ccccc1F)S(=O)(=O)c1ccccc1C#N 12846554 DDOUTCJJBUFNTP-UHFFFAOYSA-N 334.372 2.397 30 40 EEEB C[C@H]1C(=O)N(CC(=O)Nc2ccc(C#N)cc2)C(=O)N1c1ccccc1 14160072 CHYJPXTYHOLWMP-ZDUSSCGKSA-N 348.362 2.354 30 40 EEEB CC(C)(C)[C@@H](CCO)NS(=O)(=O)c1ccc(C#N)cc1Cl 96001970 XWNIUYVSYMPGTF-CYBMUJFWSA-N 330.837 2.287 30 40 EEEB O=C(C#Cc1ccccc1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 89830424 NKPDQTIXXGXOBX-FQEVSTJZSA-N 346.430 2.388 30 40 EEEB CC/N=C(\NCC)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 66243296 HKTFKFQPYXEVOP-HZPDHXFCSA-N 332.492 2.371 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CC(=O)O)[C@@H]1c1ccc(Cl)cc1Cl 36619638 MCSANQYMXNDFPX-GFCCVEGCSA-N 344.150 2.362 30 40 EEEB COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c(C(N)=O)cnn21 40267543 JMIBRDUNFHNCNZ-INIZCTEOSA-N 338.367 2.013 30 40 EEEB O=S(=O)(/N=C(\O)c1ccoc1)c1cnn(Cc2ccccc2)c1 96452591 QMGYZIQFFBKQKE-UHFFFAOYSA-N 331.353 2.218 30 40 EEEB C=CCOC[C@H]1CN(C)C(=O)[C@@H]2CCN(Cc3ccccn3)CC[C@H]12 96065565 LUZYLOSOMDSKKK-BHIYHBOVSA-N 343.471 2.201 30 40 EEEB C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1C#N 96502228 UBUGEUMACPASEW-SNVBAGLBSA-N 330.837 2.287 30 40 EEEB CCOC(=O)/C(=N/NC1=C(C)[C@@H](C)[C@@H](c2ccccc2)C1=O)C(C)=O 1554503324 CQJZNFDEYNYICN-LXJAYBITSA-N 342.395 2.361 30 40 EEEB N#Cc1ccc(CN2CCN(c3nc(C4CC4)ns3)CC2=O)cc1 95408647 HJXVVTSKAYXBJG-UHFFFAOYSA-N 339.424 2.136 30 40 EEEB Cc1ccc(N/N=C2/C(=O)N(C(N)=S)N=C2c2ccccc2)cc1 100006079 GDGFMKILCRDREF-HMMYKYKNSA-N 337.408 2.253 30 40 EEEB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C#N)cc1 57842310 KZHKIZQJJUQDHL-ZDUSSCGKSA-N 329.425 2.399 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc1 58015554 LWKDKVIQIYNSHA-UHFFFAOYSA-N 338.386 2.374 30 40 EEEB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cccc(C#N)c1 27556332 ATSXPQWINKBROL-LBPRGKRZSA-N 327.409 2.157 30 40 EEEB CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc(C#N)c3ccccc32)C1 51319046 CURSCDRYHGBJKY-AWEZNQCLSA-N 339.395 2.315 30 40 EEEB N#Cc1ccccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 23466461 CFZHFSMUJPUBED-UHFFFAOYSA-N 335.407 2.281 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C=C/c2ccncc2)CC1 29174052 DNTODAZJGBHCQK-DAFODLJHSA-N 349.394 2.181 30 40 EEEB C=CCN(CC=C)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 67469339 XOOONOIQTMLURL-ZDUSSCGKSA-N 337.445 2.039 30 40 EEEB N#Cc1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)nc1 87499814 MNJXQZRBDWNNMO-LBPRGKRZSA-N 328.322 2.240 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1/C=N/Cc1ccccc1 408527039 JEBVXGUABFDSGQ-HSWQHBDASA-N 339.326 2.296 30 40 EEEB O=C1N/C(=N\N=C2\C(=O)Nc3ccccc32)S/C1=C/c1ccco1 38188153 UPVRGZPDPAEDNZ-XYOKQWHBSA-N 338.348 2.196 30 40 EEEB N#Cc1ccc(N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)nc1 78440872 OLSFDIMLGGAUAR-UHFFFAOYSA-N 341.346 2.323 30 40 EEEB C=CCO[C@H](C)C(=O)Nc1ccc(I)cn1 96423220 GEFOVWGCRRBWPQ-MRVPVSSYSA-N 332.141 2.216 30 40 EEEB C[C@H](NC(=O)NCCc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C 252490521 KWEXVNZZQNXPAV-GJZGRUSLSA-N 342.443 2.189 30 40 EEEB CN(C(=O)c1cccc(CC#N)c1)[C@H](C(N)=O)c1cccc(F)c1 71883929 WPAPNMWMAXTYGN-INIZCTEOSA-N 325.343 2.190 30 40 EEEB O=C(/C=C/c1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)Nc2ccccc21 316468 AJJYRWYJJMMKIT-XZXOBPBMSA-N 337.331 2.228 30 40 EEEB N#Cc1ccc(N2CCC(COc3ccc4nccn4n3)CC2)cn1 1888875742 WXSVDYWLJKADKM-UHFFFAOYSA-N 334.383 2.291 30 40 EEEB CCOC(=O)/C(C#N)=N\OCC(=O)c1ccc(Br)cc1 4653754 PFGHMWANIYJRHE-WJDWOHSUSA-N 339.145 2.091 30 40 EEEB N#Cc1nccnc1N1CCN(c2cccc(Br)c2)CC1 286681628 IQMDIWMYEFUOGZ-UHFFFAOYSA-N 344.216 2.437 30 40 EEEB CCCn1nnnc1SCC(=O)Nc1sc(C)c(C)c1C#N 4882784 FOJDRRAFZBQKCO-UHFFFAOYSA-N 336.446 2.364 30 40 EEEB C[C@@H]1[C@@H](NC(=O)COC(=O)COc2ccccc2C#N)CCC[C@H]1C 3240231 WCIVOLDYSFAQFS-YCPHGPKFSA-N 344.411 2.421 30 40 EEEB Cc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)o1 48535803 QBMDIESYHUXWCG-UHFFFAOYSA-N 337.353 2.443 30 40 EEEB N#Cc1ccccc1CSCCNC(=O)c1ccc(C(N)=O)cc1 14241448 QLSZNMULICETKI-UHFFFAOYSA-N 339.420 2.320 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCO2)s1 69283255 MZDYCDVKQMHQOO-QWRGUYRKSA-N 333.431 2.286 30 40 EEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225636646 WELLFUVXPYRHHG-KURKYZTESA-N 341.388 2.344 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)Cc2ccccc2Cl)C1 225800118 HRRRSQIBDXCERQ-CYBMUJFWSA-N 342.786 2.224 30 40 EEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1nc3ccccc3s1)C2 225681060 IGUJDNNHYTWRCN-UHFFFAOYSA-N 336.376 2.055 30 40 EEEB N#Cc1ccc(C(=O)N2CC[C@@H](Nc3ncnc4c3CCC4)C2)cc1 75877020 XUONVLJFOVETHI-OAHLLOKOSA-N 333.395 2.164 30 40 EEEB C[C@@H](Oc1ccccc1C#N)/C(O)=N/S(=O)(=O)N1CCCCC1 52795392 ZGSMZSVEHAKPGS-GFCCVEGCSA-N 337.401 2.013 30 40 EEEB CCNc1nc(NCC)nc(N/N=C/c2cccc(OC)c2OC)n1 36271740 PRIURGIAMIMQQJ-VXLYETTFSA-N 345.407 2.198 30 40 EEEB Cc1ccc(C)c(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1 5152665 YGXLETRZOOBYCL-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCO3)C2)c(F)c1 69377790 UXKIKJSORPORDC-GJZGRUSLSA-N 346.406 2.144 30 40 EEEB C=CCNC(=S)N/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12 5830674 XIOVZPXALDHDHA-RQZCQDPDSA-N 330.369 2.438 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 84185652 FGDDCHXBOLHJRE-SJORKVTESA-N 341.411 2.365 30 40 EEEB N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cccc2nonc12 95420518 MOZKDLAZVGXDQN-UHFFFAOYSA-N 346.343 2.471 30 40 EEEB N#Cc1cccc(NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1 27907555 MPVMEURXQQTQCS-UHFFFAOYSA-N 348.406 2.260 30 40 EEEB CN(CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C1CCCC1 96410766 KYKHSUZKMKSUOB-UHFFFAOYSA-N 348.834 2.141 30 40 EEEB CN(CCc1ccccn1)C(=O)CNc1nc2c(cc1C#N)CCCC2 95452069 NHVRVERWYPZPJV-UHFFFAOYSA-N 349.438 2.340 30 40 EEEB CN(CCOc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 81097954 GPYBSABMHZXHOL-SJORKVTESA-N 336.457 2.225 30 40 EEEB COC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 169805451 SAHGSNVBPWJTIF-UHFFFAOYSA-N 345.399 2.402 30 40 EEEB CC1(C)C[C@@H](C2(CCC#N)N3CC4(C)CN2CC(C)(C3)C4=O)CCO1 19330052 ZJCXUZCIRCPUPB-HFHZODOMSA-N 345.487 2.418 30 40 EEEB biogenic O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)c1c([nH]c(=O)[nH]c1=O)N2 18199448 WPLVFXQDDWKWQR-GFCCVEGCSA-N 343.770 2.281 30 40 EEEB N#Cc1c[nH]c(C(=O)N2CCN(CCSc3ccccc3)CC2)c1 95406889 RLUHABTUTYVUIA-UHFFFAOYSA-N 340.452 2.436 30 40 EEEB Cc1ccc(C(N)=O)cc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 89646906 DAWXUMCZMPQOQT-MRXNPFEDSA-N 334.379 2.183 30 40 EEEB C=CCc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(OC)c1O 409145676 RFBOTOWRZUKZGF-KPKJPENVSA-N 349.364 2.250 30 40 EEEB CC(C)N1C[C@@]2(COCCN(Cc3ccc(C#N)cc3)C2)CC1=O 585103635 DZDDNYWLHYIKNY-LJQANCHMSA-N 327.428 2.018 30 40 EEEB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\C(C#N)C#N)cc2)n1 104123271 VNPAEOJKPPELQG-VXPUYCOJSA-N 341.356 2.085 30 40 EEEB C=CCN1C(=O)N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 409136614 SAQDHLJZUNMEFQ-RVDMUPIBSA-N 338.323 2.464 30 40 EEEB COc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)c(OC)c1 5163824 WBRFZJJYQZHJKQ-SFQUDFHCSA-N 334.397 2.406 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 4548208 FRDJXXOCAJSCJO-UHFFFAOYSA-N 346.774 2.015 30 40 EEEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OC(C)=O 408751268 YQSWTQJXTPHAKK-IUXPMGMMSA-N 330.300 2.370 30 40 EEEB Cc1cc(OS(C)(=O)=O)cc2c1C(=O)/C(=C/c1ccncc1)O2 6672268 NDWISFHUCTXZLY-ZSOIEALJSA-N 331.349 2.345 30 40 EEEB C#CCN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 96000195 VPXHXRJRLTYTJM-OAHLLOKOSA-N 338.411 2.483 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 5853605 ZUGMGVJZIZVRCF-HNNXBMFYSA-N 348.424 2.226 30 40 EEEB COc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)cc1F 71889263 UIZVKKZTZCMIGZ-UHFFFAOYSA-N 326.375 2.423 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(Cc2cc(C)nc3ccccc23)c1 71905491 JGZJTUAEAJANMS-UHFFFAOYSA-N 333.347 2.412 30 40 EEEB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)/N=C1\NCCS1)CC2 95411910 KWSSMJQQQAHQLV-QMMMGPOBSA-N 344.362 2.128 30 40 EEEB C#CCN(Cc1cccc(C)n1)C(=O)c1ccc(-n2ccnn2)cc1 95444855 KVPSWSXMYILRGF-UHFFFAOYSA-N 331.379 2.246 30 40 EEEB C=CC/N=C(\NCCS(C)(=O)=O)N[C@@H](C)c1ccccc1Cl 73808186 UEEXXRSKTGVWIY-LBPRGKRZSA-N 343.880 2.167 30 40 EEEB C=CCOc1ccc(C(=O)NCCn2cnnc2C(C)C)cc1OC 75144404 CGFNYZJNZVHCBS-UHFFFAOYSA-N 344.415 2.405 30 40 EEEB CC(=O)Oc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1 408752689 JJJDMPYCFZLBME-GZTJUZNOSA-N 332.381 2.233 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/Cc2ccccc2)C1=O 408526575 DWSWOEQRCROAIY-SLDJAQPHSA-N 335.363 2.465 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(\O)CCCn2cccn2)cc1C 78556557 QIHYGXFOXNMRID-UHFFFAOYSA-N 337.401 2.326 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(N)C#N)cc1 218505337 GSILCGDVBPSOLJ-BBWFWOEESA-N 330.384 2.295 30 40 EEEB OC[C@@H](O)CN(CC#Cc1ccc(Cl)cc1)CCC(F)(F)F 84867812 VCZPPPXJLMZMNK-AWEZNQCLSA-N 335.753 2.299 30 40 EEEB C[C@@H](CC#N)N(C)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 86293137 IWVIWSUOWJWJDR-ZDUSSCGKSA-N 333.411 2.343 30 40 EEEB CC[C@H](CC#N)NS(=O)(=O)c1ccc(C#N)cc1N1CC=CCC1 1615053372 IYIUXMVZRLGRGV-OAHLLOKOSA-N 344.440 2.295 30 40 EEEB C[C@@H](c1ccccc1F)N1CCN(CC(=O)N(C)C(C)(C)C#N)CC1 69350062 AUGCGUXXKGNUEJ-HNNXBMFYSA-N 346.450 2.265 30 40 EEEB Cc1nc(N2CCN(c3nccc(C#N)n3)CC2)cc(C(C)(C)C)n1 1888843334 MWHWHTMSWIIURQ-UHFFFAOYSA-N 337.431 2.071 30 40 EEEB O=c1[nH]cc(/C(O)=N/S(=O)(=O)c2ccccc2Cl)cc1Cl 54428633 BWCLGJAXHBHRQX-UHFFFAOYSA-N 347.179 2.375 30 40 EEEB N#Cc1cccc(S(=O)(=O)/N=C(\O)CCOCC(F)(F)F)c1 48608959 LCRXGHZCEJSNEI-UHFFFAOYSA-N 336.291 2.172 30 40 EEEB Cc1cccc(NC[C@H]2CCN(CC(=O)NC3(C#N)CCCC3)C2)n1 65590137 VNGHGFPNFZUZBI-MRXNPFEDSA-N 341.459 2.076 30 40 EEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 5377114 TZHILZQQHPRLHL-JJLJGCLUSA-N 338.454 2.006 30 40 EEEB Cc1cc(=O)c(C(=O)NC2(C#N)CCCC2)nn1-c1ccccc1F 84072165 BYUMFMKVDDHVTC-UHFFFAOYSA-N 340.358 2.246 30 40 EEEB Cc1cc(N2CCCN(CCO)CC2)n2c(nc3ccccc32)c1C#N 69651978 QHRLOTYKFUFZQK-UHFFFAOYSA-N 349.438 2.172 30 40 EEEB N#C[C@H](NC(=O)CNC(=O)NCc1ccco1)c1cccc(Cl)c1 69900618 DTXVRENSYHLKOG-AWEZNQCLSA-N 346.774 2.113 30 40 EEEB CNC(=O)[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 75119311 UAKOIDRTRJEHMX-OAHLLOKOSA-N 344.321 2.445 30 40 EEEB N#Cc1c(Cl)nsc1N1CCC[C@@H]1C(=O)N1CCSCC1 75048902 URRBZIOBHHMVIT-SNVBAGLBSA-N 342.877 2.212 30 40 EEEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225651339 XILCKBKWOVHBSH-KSZLIROESA-N 327.405 2.437 30 40 EEEB CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CCc2ccc(C#N)cc2)C1 569269941 DPIUFCAJMOFGKT-OALUTQOASA-N 341.455 2.203 30 40 EEEB CCN(C[C@@H](C)C#N)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 40539800 CTQKYRQDHDHZDI-RSPDNQDQSA-N 335.429 2.079 30 40 EEEB CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 10843863 YDMXRFFUJJMUPI-UHFFFAOYSA-N 345.399 2.016 30 40 EEEB C#CCN1CCC(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 50033549 JRBZBYZECFWFLC-UHFFFAOYSA-N 341.333 2.306 30 40 EEEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 72293458 HSVNLSIQVUXKPV-UHFFFAOYSA-N 339.380 2.453 30 40 EEEB NC(=S)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 9265591 GNSWARLNZRAWKD-CNHKJKLMSA-N 342.380 2.148 30 40 EEEB Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 26267631 FAFLHBPURUCXAP-UHFFFAOYSA-N 338.352 2.359 30 40 EEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 101312128 UMTFUYSOVJKKDE-MMEFHMBZSA-N 338.454 2.006 30 40 EEEB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccccc2)NC(=O)N1C 12821485 KXLROUGNDCGQHP-CQSZACIVSA-N 340.335 2.286 30 40 EEEB N#CCCN(Cc1ccco1)S(=O)(=O)c1cccc(C(=O)O)c1 12880322 MLEBBEBSYJJJGH-UHFFFAOYSA-N 334.353 2.082 30 40 EEEB O=C1/C(=C/c2cnc(N3CCOCC3)nc2)CCc2cc(O)ccc21 70040248 MDJCVEFBAIKLHD-OQLLNIDSSA-N 337.379 2.231 30 40 EEEB COC(=O)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(F)cc1F 195533841 VPZDANOAADUPPR-CYBMUJFWSA-N 333.294 2.199 30 40 EEEB COC(=O)C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 96453930 VVLXGXMVZBYSRL-GFCCVEGCSA-N 328.290 2.345 30 40 EEEB C=CCN1C[C@H]2CN(C(=O)[C@H]3CCCO3)CC[C@]2(c2ccccc2)C1 96083268 RPRCGOWIULOATA-QKNQBKEWSA-N 340.467 2.454 30 40 EEEB C#CCCCCC(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)OC 1616033030 YJUNGSMRMFRBSU-LJQANCHMSA-N 341.411 2.278 30 40 EEEB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(c2nccnc2C#N)C3)nc1 1888863542 NRUKHAFMVCXGDQ-KDOFPFPSSA-N 336.399 2.132 30 40 EEEB N#Cc1cccnc1N1C[C@@H]2CN(c3nnc(C4CC4)s3)C[C@H]2C1 2086954117 ZBNDEDUWOACMTG-ZIAGYGMSSA-N 338.440 2.255 30 40 EEEB C=CCN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C 4070228 KHZBWYUHQOZIDO-AWEZNQCLSA-N 331.328 2.294 30 40 EEEB Cc1nc(C(=O)N2CCC[C@H](Oc3cc(C#N)ccn3)C2)cs1 575605081 HDEMFWYLDJLGGG-ZDUSSCGKSA-N 328.397 2.402 30 40 EEEB CSc1ncc(C#N)c(N2CCC[C@@H](COc3cnccn3)C2)n1 2298188623 KJRQJZDNDSOGHI-GFCCVEGCSA-N 342.428 2.156 30 40 EEEB CC(C)S(=O)(=O)N1CC[C@H](NCc2cccc(C#N)c2)[C@H](C)C1 72300624 DOQVORJTTOOIBW-PBHICJAKSA-N 335.473 2.096 30 40 EEEB O=c1cnc(-c2ccccc2)cn1C/C(O)=N/c1nc(C2CC2)n[nH]1 95473843 HTLMACYSRPJVQF-UHFFFAOYSA-N 336.355 2.194 30 40 EEEB CC[C@@H]1CCCCN1C(=O)COC(=O)COc1ccc(C#N)cc1 3259545 NBNQNSIIBAJPLY-OAHLLOKOSA-N 330.384 2.271 30 40 EEEB C[C@H](C(=O)N[C@](C)(C#N)CCc1ccccc1)N1CCCCC1=O 95431825 FSSHNHIEXLMUFH-BEFAXECRSA-N 327.428 2.419 30 40 EEEB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccc(C#N)cc1 71880464 UMHYPZMJWBMTOL-RBUKOAKNSA-N 327.428 2.412 30 40 EEEB Cc1nn(Cc2cc(Cl)c3c(c2)OCCO3)c(=O)c(C#N)c1C 14234215 GPEDTCOQHDRUHK-UHFFFAOYSA-N 331.759 2.205 30 40 EEEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)c(F)c1 69284222 JRQIXGFGXSRANP-VHSXEESVSA-N 349.355 2.194 30 40 EEEB N#Cc1ccc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)cc1Cl 69463791 UJUUEMGLQPNPSY-OAHLLOKOSA-N 349.818 2.378 30 40 EEEB C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1 69772608 KDKCAMHTVYEHAB-HZMBPMFUSA-N 331.759 2.432 30 40 EEEB C/N=C(\NCc1c(C)nn(-c2ccccc2)c1C)N[C@H](C)COC 73583397 BFNQZQIRFDHOSR-CYBMUJFWSA-N 329.448 2.189 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(C)c1 409135935 WPTCJZUNVGHPGX-OAHLLOKOSA-N 343.379 2.468 30 40 EEEB C=CCn1nc(C)c(CCC(=O)N2CCC(C(=O)OCC)CC2)c1C 72242987 VFDXWUDFUREVSQ-UHFFFAOYSA-N 347.459 2.420 30 40 EEEB N#CCCn1ccc(NC(=O)N2CCN(c3cccs3)CC2)n1 135932144 ATQCWRYFAAYFEZ-UHFFFAOYSA-N 330.417 2.212 30 40 EEEB COc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C#N)cc1OC 594836221 ZZZSECANTBXNAL-PWSUYJOCSA-N 342.392 2.204 30 40 EEEB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2cc(C#N)ccn2)C1 298588541 HPDKIDHIVNVWRD-GXTWGEPZSA-N 347.440 2.236 30 40 EEEB C=CCSCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 65588216 ZDGQVQOXKBUZAX-UHFFFAOYSA-N 343.452 2.372 30 40 EEEB N#Cc1ccccc1CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 96797847 DWXXJEDTWJJAAQ-MRXNPFEDSA-N 330.409 2.341 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 20458928 PIYJFVCWKRLZMC-UHFFFAOYSA-N 341.436 2.065 30 40 EEEB CC[C@H]1Cc2c(nc(N)c3c(N)nc(N(CC)CC)c(C#N)c23)O1 20268336 NXOFKTRYGXSRCY-VIFPVBQESA-N 326.404 2.226 30 40 EEEB COC(=O)[C@H](C#N)[C@@](C#N)(C(=O)OC)[C@H]1C[C@H](C(C)(C)C)CCC1=O 85409337 VVYTXKBROITZSS-OXRQTFEDSA-N 348.399 2.014 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103767984 PGQZAXMIIAZTKT-RKLWJJNISA-N 326.352 2.418 30 40 EEEB Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C#N)c1C 29528684 YJVAFINWKCUDDT-UHFFFAOYSA-N 339.374 2.067 30 40 EEEB C=CCn1c(SCC(=O)NCC)nc2sc3c(c2c1=O)CCC3 3320027 JHFQGQIZSUFGLT-UHFFFAOYSA-N 349.481 2.361 30 40 EEEB COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1OC 3474597 CAPFCZZATCFIQP-UHFFFAOYSA-N 340.335 2.371 30 40 EEEB CCn1c(-c2cnc(N3CCOCC3)nc2)nc2cc(C#N)ccc21 95442615 FHTBCDCHKREKKH-UHFFFAOYSA-N 334.383 2.221 30 40 EEEB N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2O)CC1 34854048 DINSINZNUWRYTA-UHFFFAOYSA-N 342.424 2.086 30 40 EEEB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1cccc(C#N)c1)C2 225493624 WITYMLYGFMEFLC-IBGZPJMESA-N 336.439 2.465 30 40 EEEB biogenic,in-vitro C/N=C(/NC[C@H]1CCOC1)N1CCN(c2cccc(C)c2C)CC1 195530270 SGAKUZKNRZZOBD-QGZVFWFLSA-N 330.476 2.037 30 40 EEEB CN(C)c1ncnc2c1CN(Cc1cn3ccccc3c1C#N)CC2 97200437 SXKDCFCWKZRJEF-UHFFFAOYSA-N 332.411 2.225 30 40 EEEB Cn1ncc(I)c1NC(=O)C1(C#N)CCCC1 585124473 FCUGUSLZGWEUJU-UHFFFAOYSA-N 344.156 2.047 30 40 EEEB N#Cc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1 96365450 HSPNNLNBEXSNSE-QGZVFWFLSA-N 340.404 2.247 30 40 EEEB CN(Cc1ccc(C#N)cc1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 68881375 GIEWKOKIZKSKKZ-UHFFFAOYSA-N 336.399 2.383 30 40 EEEB N#CC1(NC(=O)Cn2nnc(-c3cccc(F)c3)n2)CCCCCC1 40050503 KWSFSWPNUPBPIV-UHFFFAOYSA-N 342.378 2.212 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2N(C)CC)c1 71883856 YMLQHSJFOAZWOO-UHFFFAOYSA-N 335.407 2.379 30 40 EEEB C=CCSCC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 56082688 KINNLJKFZPVBRG-AWEZNQCLSA-N 333.457 2.486 30 40 EEEB Cn1cc([C@H]2CC(c3ccc(C#N)cc3)=NN2c2cnccn2)cn1 48250958 MNHFKRKXGFOLHM-QGZVFWFLSA-N 329.367 2.437 30 40 EEEB CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@]2(C#N)C(=N)O[C@]1(C)C2(C#N)C#N 102937414 KLXOIVABBVGCQQ-BDEJMISXSA-N 348.362 2.273 30 40 EEEB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(C#N)ccc1F 10927006 XNEHGKGHKZCHGK-LLVKDONJSA-N 345.399 2.296 30 40 EEEB C=C(Br)CNC(=O)NC[C@@H]1COc2ccccc2O1 49286911 FKKJYCYPOYSAAC-SNVBAGLBSA-N 327.178 2.034 30 40 EEEB N#Cc1cccc(COC(=O)CN2C(=O)CCOc3ccccc32)c1 7532877 ARBBJBJSMOKELW-UHFFFAOYSA-N 336.347 2.417 30 40 EEEB N#Cc1cccnc1N1CCCN(c2nc(C3CC3)ns2)CC1 80786638 QLHXIKDDDHMXQO-UHFFFAOYSA-N 326.429 2.399 30 40 EEEB Cc1nc2ccccc2n1CCNC(=O)COc1ccc(C#N)cc1 8134840 LLPDEPZLVKUYJB-UHFFFAOYSA-N 334.379 2.412 30 40 EEEB COCCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)n[nH]c1=O 72635806 ROJKWCDITKUTIH-AWEZNQCLSA-N 332.429 2.143 30 40 EEEB CN(CC(=O)Nc1cnn(-c2ccccc2)c1)c1ccc(C#N)cn1 96999526 PVVJFLLQOWOWBW-UHFFFAOYSA-N 332.367 2.214 30 40 EEEB N#Cc1cccc(Cl)c1N1CCN(c2ncccc2C(N)=O)CC1 89768068 YOQYVWQULYGZNQ-UHFFFAOYSA-N 341.802 2.032 30 40 EEEB CC(=O)N[C@H]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 188910041 UIXKJHMYIVMVES-HNNXBMFYSA-N 338.329 2.184 30 40 EEEB CC(C)Cc1nc(C[S@@](=O)CC(=O)Nc2cccc(C#N)c2)no1 79324564 MCIZRRJQCLNYKD-DEOSSOPVSA-N 346.412 2.027 30 40 EEEB N#Cc1ccccc1NC(=O)C(=O)NCC1(c2ccsc2)CC1 1888922191 DJQLFCOOQHGLHR-UHFFFAOYSA-N 325.393 2.406 30 40 EEEB C=C(C)CN(CC)C(=O)c1ccc2c(=O)n(C(C)C)c(=O)[nH]c2c1 32924449 JNJMHUUHTFMKIY-UHFFFAOYSA-N 329.400 2.309 30 40 EEEB N#Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3383938 ZFNBPNXIYTYWTK-UHFFFAOYSA-N 325.280 2.262 30 40 EEEB CN(C[C@@H]1COc2ccccc2O1)C(=O)COc1ccccc1C#N 23183659 LFIDBXPRERRSIV-OAHLLOKOSA-N 338.363 2.235 30 40 EEEB COC(=O)C[C@H](NC(=O)COc1ccc(C#N)cc1)c1cccs1 48264205 ZJKLJIPHTZFRCZ-AWEZNQCLSA-N 344.392 2.419 30 40 EEEB Cc1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C#N)c1C 5144842 WNLQLFANUXQPND-UHFFFAOYSA-N 339.376 2.471 30 40 EEEB CC(C)/C(N)=N/OC(=O)c1ccc(I)cc1 4576883 OUYYTPNOWNXEGD-UHFFFAOYSA-N 332.141 2.376 30 40 EEEB CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=S)n1C 66625376 YXNZEYCSDRTWAY-AWEZNQCLSA-N 345.428 2.069 30 40 EEEB C[C@H]1CN(Cc2cc(C#N)ccc2F)CCN1Cc1nccn1C 70020923 PPWPIPRKWQDPOJ-AWEZNQCLSA-N 327.407 2.137 30 40 EEEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218033274 FXZHTSSYVPDVHL-ZOBUZTSGSA-N 327.361 2.221 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 87236766 VBJUDHUCXJDYAR-QGZVFWFLSA-N 344.415 2.220 30 40 EEEB C=CCNC(=O)[C@H](C)Nc1ccc(N2CCN(CC)CC2)cc1C 56170302 GEACNMGNHSHBQL-INIZCTEOSA-N 330.476 2.240 30 40 EEEB Cc1cc(C)nc(SC/C(=N/NC(N)=S)c2ccccc2)n1 495341 ABXLETMRMBMFNJ-UYRXBGFRSA-N 331.470 2.423 30 40 EEEB CC(C)N1CCO[C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)CC[C@H]2C1 1565547057 MQZHKLQJFLYKKA-RBUKOAKNSA-N 341.455 2.058 30 40 EEEB Cc1nc(C(=O)N[C@@H](C#N)c2cnn(-c3ccccc3)c2)ccc1C#N 78771904 UDGBLNHPGWFCOV-SFHVURJKSA-N 342.362 2.442 30 40 EEEB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc(C#N)cc1)C(=O)C2 103573136 UBSOTUWBKYGMDS-MAUKXSAKSA-N 346.452 2.373 30 40 EEEB Cc1ccccc1N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O 23125249 HYMPCJUJTCNXPM-UHFFFAOYSA-N 343.408 2.271 30 40 EEEB C[S@](=O)c1ccc(C(=O)NCCNc2cccc(F)c2C#N)cc1 65493169 ARXAPVKOLSEKRU-XMMPIXPASA-N 345.399 2.277 30 40 EEEB C=C(C)CN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 69666433 YZQSNVYSCDJPMA-OAHLLOKOSA-N 344.411 2.445 30 40 EEEB C[C@H](CNc1ccc(Br)cc1C#N)N1CCN(C)CC1 97083847 UOEVDQUKMFMKJO-GFCCVEGCSA-N 337.265 2.369 30 40 EEEB CC(C)c1nc([C@H]2CCCN(C(=O)c3ccc(C#N)cn3)C2)no1 72271438 CKIRXEHFWQWTLF-ZDUSSCGKSA-N 325.372 2.479 30 40 EEEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2ccncc21 95467837 AJWYPJTXHAQLLR-UHFFFAOYSA-N 346.394 2.135 30 40 EEEB Cc1cc2c(cc1Br)N(S(=O)(=O)CC#N)C[C@@H](C)O2 95439794 MZNJLVYOUIOCNG-SECBINFHSA-N 345.218 2.198 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N\Cc2ccco2)C1=O 408527976 PSVSZMDFERCTOS-CCOVPTLTSA-N 325.324 2.058 30 40 EEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1cccnc1 408526947 IEZFXAGYXZBKRT-ZDUSSCGKSA-N 342.742 2.337 30 40 EEEB CCc1noc([C@@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 42652062 SAHDSECXIXUTIK-CQSZACIVSA-N 325.416 2.382 30 40 EEEB N#C[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 218154851 RXZOEDGZRDOTRR-COXVUDFISA-N 327.361 2.495 30 40 EEEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(C3CC3)n2)o1 225894196 VMXMFSOJPAMKPB-UHFFFAOYSA-N 330.369 2.480 30 40 EEEB Cc1ccnc2ccc(C(=O)N3CCc4[nH]c(=O)c(C#N)cc4C3)cc12 225682121 VAFZSNYBVYYNPL-UHFFFAOYSA-N 344.374 2.302 30 40 EEEB C=C(C)C(=O)OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F 96395116 VQOPAPHAKJCJTK-UHFFFAOYSA-N 326.164 2.482 30 40 EEEB C/C(=N\O)[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1(C)C 585120915 WTLFWNOHNRTWKW-FQENCPGESA-N 349.475 2.264 30 40 EEEB N#Cc1cc(F)ccc1CN1CCC[C@@H]1C(=O)N1CCSCC1 67117583 WULLPEJZPLTFAK-MRXNPFEDSA-N 333.432 2.237 30 40 EEEB CCOc1cc2c(cc1/C=C/C(O)=N/S(C)(=O)=O)O[C@@H](C)C2 48479814 JKIMXCDVLPNTCX-PORFMDCZSA-N 325.386 2.338 30 40 EEEB C=CCN(Cc1nnc(C)n1C1CC1)S(=O)(=O)c1cccs1 91591615 JTILFWCRFMYXHB-UHFFFAOYSA-N 338.458 2.360 30 40 EEEB CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(C(=O)O)c2)CC1 169805441 XCQFZTSHCDFCKN-UHFFFAOYSA-N 331.372 2.314 30 40 EEEB CC1(C)OB(c2cccc(C(=O)N3CCSCC3)c2)OC1(C)C 217487111 CTUWNZFIUFUEJK-UHFFFAOYSA-N 333.262 2.175 30 40 EEEB N#Cc1cccnc1N1CCN(c2cc(C(F)(F)F)ncn2)CC1 1166763035 HKMVMRSKCWPNBA-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2Oc2ccccc2)CC1 79033095 YWSROZCESXQPFZ-RTBURBONSA-N 326.440 2.448 30 40 EEEB N#Cc1c(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)nc2ccccn12 97082470 PTCIHMOBHIAHLM-CYBMUJFWSA-N 337.358 2.101 30 40 EEEB C=CCO[C@@H](C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 95418564 QIMIVIIQKOAMID-HNNXBMFYSA-N 332.444 2.421 30 40 EEEB C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(C#N)cc1 95433098 YQWFSJHDNYGAQC-SUMWQHHRSA-N 330.409 2.001 30 40 EEEB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)cc1 408741399 IQDNOQIEHYWJKY-GIJQJNRQSA-N 330.413 2.048 30 40 EEEB COc1cccc(/C=N/c2ccc(NC(C)=O)cc2)c1OCC(N)=O 361099 BGLRAMYGHAQGFP-KEBDBYFISA-N 341.367 2.268 30 40 EEEB C=CCSc1nnc(NS(=O)(=O)c2c(C)noc2C)s1 225826870 QWJFJRWAOIWCQT-UHFFFAOYSA-N 332.432 2.222 30 40 EEEB C=CC[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@H](C(=O)OCC)[C@H]3C=C[C@]21O3 245380194 SWEOKISNCSPDIY-QRXRQMIZSA-N 339.391 2.481 30 40 EEEB CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)NC2CC2)c1C#N 10711636 HLVQHVWMNNJYPI-SECBINFHSA-N 345.424 2.376 30 40 EEEB N#Cc1cccc(N2CC(n3nc(-c4cccc(F)c4)ccc3=O)C2)n1 1775974340 XWJOQALVKSLUOX-UHFFFAOYSA-N 347.353 2.377 30 40 EEEB O=C1/C(=C/c2ccncc2)Oc2c1ccc(O)c2CN1CCOCC1 20503846 MMNNJKQPIHSXQK-BOPFTXTBSA-N 338.363 2.236 30 40 EEEB O=C(C[C@@H]1S/C(=N/C2CCCC2)NC1=O)NCc1ccccc1 21132129 AZEFCELEDFNNSX-AWEZNQCLSA-N 331.441 2.223 30 40 EEEB N#CCCn1c(SCCN2C(=O)CCC2=O)nc2ccccc21 12553686 UJBFWPRUCUQIED-UHFFFAOYSA-N 328.397 2.191 30 40 EEEB O=C(O)c1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1 28912712 KCLHKESAZANBIX-UKTHLTGXSA-N 328.345 2.438 30 40 EEEB CS(=O)(=O)N1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 67348846 VVWLGLXVZIESRV-UHFFFAOYSA-N 347.362 2.413 30 40 EEEB C#CCN1CCC(C(=O)OCC(=O)N(CC)C2CCCCC2)CC1 70021881 HFYPLFXVVLBGIB-UHFFFAOYSA-N 334.460 2.056 30 40 EEEB C=CCN(C(=O)c1cc(C)n(C2CC2)c1C)[C@@H]1CCS(=O)(=O)C1 71824225 NCDDVPJBNUYBDG-OAHLLOKOSA-N 336.457 2.255 30 40 EEEB CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 408586436 CCCVOWYDVDEWTM-ICRPYMEDSA-N 336.391 2.472 30 40 EEEB COc1ccccc1/C(N)=N/OCC(=O)Nc1ccc(C)c(F)c1 39992598 NTNPTFKWKKSPQX-UHFFFAOYSA-N 331.347 2.418 30 40 EEEB C=CCN1C(=O)CC[C@@]12CCCN(S(=O)(=O)c1ccccc1)CC2 96217842 KVWNDMHJALSBCD-GOSISDBHSA-N 348.468 2.408 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N(CC#N)c2ccccn2)C1 585125393 QIENSMWSFIXGGM-CYBMUJFWSA-N 330.388 2.195 30 40 EEEB CC1(C)[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@@H]1c1ccccc1 599373644 DCCHTAUMDJTAFH-HOTGVXAUSA-N 327.409 2.424 30 40 EEEB C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2 13963805 BKOUJTNGDCBRKT-SFQUDFHCSA-N 332.381 2.426 30 40 EEEB CC(C)n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 21739666 JHFVCACRRABMFT-UHFFFAOYSA-N 348.457 2.407 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 46493959 QUKDSZASHNFPJF-LSDHHAIUSA-N 330.384 2.116 30 40 EEEB CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1 69617737 IZJWUUSSCVGLGI-UHFFFAOYSA-N 336.804 2.473 30 40 EEEB N#C[C@H]1C(=O)NC(=O)[C@H](C#N)C12c1ccccc1Oc1ccccc12 1588768 LQKWFEKGXUJKQU-KBPBESRZSA-N 329.315 2.014 30 40 EEEB CCOC(=O)c1sc(NN=C(C#N)C#N)c(C(=O)OCC)c1C 1958083 JZJDYAMZYDLBQM-UHFFFAOYSA-N 334.357 2.225 30 40 EEEB Cc1ccc(C[C@H](C#N)Sc2nnnn2C[C@@H]2CCCO2)cc1 48324088 DRNCYVQQMQYIBL-LSDHHAIUSA-N 329.429 2.388 30 40 EEEB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)c1cccc(C#N)c1 63346559 UXKOESATEIULOO-UHFFFAOYSA-N 330.365 2.390 30 40 EEEB CC[C@H](C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 65586653 PHQNGOSOLATZCW-QMMMGPOBSA-N 334.319 2.428 30 40 EEEB N#Cc1ccc(OCC(=O)OCC(=O)N2CCCCCCC2)cc1 7276204 BJOZHYWRZLMKSX-UHFFFAOYSA-N 330.384 2.273 30 40 EEEB N#Cc1cccc(S(=O)(=O)NCc2cccc(-n3cccn3)c2)c1 71910242 UKGBDYQHLZSAIM-UHFFFAOYSA-N 338.392 2.222 30 40 EEEB C[C@H](NC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccc(C#N)cc1 517711718 QZCBTIYHKNDEDA-WMLDXEAASA-N 340.427 2.416 30 40 EEEB C[C@](O)(CNc1cc(C#N)ccc1C(F)(F)F)CN1CCOCC1 125525077 NIHUWXICTUBCAO-HNNXBMFYSA-N 343.349 2.072 30 40 EEEB CC[C@H]1C[C@@H](CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)CCO1 560671362 QGEYARVEGYWWAA-JSGCOSHPSA-N 327.384 2.439 30 40 EEEB CC1CCN(CCCCNS(=O)(=O)c2cccc(C#N)c2)CC1 40157090 JKBBAPIXVNXHOI-UHFFFAOYSA-N 335.473 2.349 30 40 EEEB COc1cccc(OC)c1C=Nn1c(S)nnc1C(F)(F)F 245240925 VFRAVVJZUYYUMR-UHFFFAOYSA-N 332.307 2.485 30 40 EEEB COc1ccc(OC)c(/C=N/n2c(S)nnc2C(F)(F)F)c1 5558506 DRCJKZQIRZYOIK-OMCISZLKSA-N 332.307 2.485 30 40 EEEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 4570842 SUXSWKCWZYDIHZ-KRWDZBQOSA-N 338.363 2.381 30 40 EEEB COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1 4275785 LFTYOPDKCIGLTI-UHFFFAOYSA-N 329.337 2.368 30 40 EEEB N#CCCN1CCN([C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32097126 AEKBAUPFDUUTLU-INIZCTEOSA-N 346.818 2.478 30 40 EEEB N#C[C@@H]1C(=O)NC(=O)[C@@H](C#N)C12c1ccccc1Oc1ccccc12 1588769 LQKWFEKGXUJKQU-ZIAGYGMSSA-N 329.315 2.014 30 40 EEEB C=CCN1C[C@H](c2nc3ccccc3n2CC(=O)OCC)CC1=O 27792524 YWXPRSYFZZEJGM-CYBMUJFWSA-N 327.384 2.101 30 40 EEEB CCOc1nnc(CN2CC[C@@H](CNc3ncccc3C#N)C2)s1 65517672 WNKFVIFRSUSQFW-LBPRGKRZSA-N 344.444 2.137 30 40 EEEB Cc1sc2ncn(CC(=O)N[C@](C)(C#N)C(C)C)c(=O)c2c1C 7382850 CXEHALCDFYPNJL-MRXNPFEDSA-N 332.429 2.129 30 40 EEEB C=CCn1c(SCC(=O)Nc2ccccc2C)nc(O)cc1=O 15994433 CFCZBVUSFKUPFE-UHFFFAOYSA-N 331.397 2.174 30 40 EEEB C[C@H](C#N)CN(C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 71824921 NJEIQNLLTAXBHL-CQSZACIVSA-N 334.851 2.080 30 40 EEEB N#Cc1cccc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@@H]3C2)c1 67897045 STXKMDYQBAQXPG-MOPGFXCFSA-N 333.391 2.174 30 40 EEEB biogenic,in-vitro N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCSCC1 96415029 IDPPQNIGXOJYML-UHFFFAOYSA-N 336.360 2.315 30 40 EEEB O=C(O)c1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1 1720838 BMKQAVSHJVGEBQ-VCHYOVAHSA-N 343.364 2.179 30 40 EEEB C=CCN1C(=S)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 8059708 ACICRKOLNTYEII-LSDHHAIUSA-N 336.482 2.062 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@H]1c1ccc(O)cc1 40357828 LJXGIURCNFJGCW-INIZCTEOSA-N 333.384 2.492 30 40 EEEB CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(=O)N(C)C)c1C#N 32850664 GLHPPECKIFJNFW-SECBINFHSA-N 333.413 2.186 30 40 EEEB Cn1cc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3C#N)C2)cn1 76063854 PJMLIVCNFMEREM-CYBMUJFWSA-N 326.360 2.281 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 103508209 MVCZZODNGKSOQR-OAHLLOKOSA-N 336.395 2.210 30 40 EEEB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@H](C)CC#N)C2)cc1 106183706 QKIYWYYYJFGERC-HZPDHXFCSA-N 335.473 2.288 30 40 EEEB Cn1cncc1CN1CC[C@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1 107225983 QMEPEBBTVBUHJS-MJGOQNOKSA-N 337.427 2.137 30 40 EEEB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 3251502 NUFPGGOZPYMXAV-UHFFFAOYSA-N 337.335 2.312 30 40 EEEB N#Cc1nncn1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12762888 XFENSKYKXNLNJD-UHFFFAOYSA-N 339.355 2.220 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 48382527 OGHUMLUMUJMOOB-GJZGRUSLSA-N 328.368 2.208 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1CN1CCCC1 69415947 FGHVSHKFLCTURD-INIZCTEOSA-N 343.427 2.032 30 40 EEEB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2)c1 71803500 XQDJLZXHAQRYPE-LLVKDONJSA-N 339.351 2.088 30 40 EEEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(\O)c1scnc1C1CC1 89968246 PMOZXRIILKCAMM-JTQLQIEISA-N 330.431 2.224 30 40 EEEB C=CCNS(=O)(=O)c1ccc(N[C@H](C)CCC)c(C(=O)O)c1 217570426 IOWMZQLPPNULKO-LLVKDONJSA-N 326.418 2.450 30 40 EEEB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(C#N)n1C 597953838 BFBSEYKTPQEPMF-SUMWQHHRSA-N 341.415 2.011 30 40 EEEB N#Cc1cccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1 7250030 YARUWWLPINBJQT-UHFFFAOYSA-N 326.337 2.075 30 40 EEEB C=CCn1cnnc1S[C@@H](C(=O)NCc1cccnc1)C(C)C 50247331 HCWPFMRTIHXDCD-CQSZACIVSA-N 331.445 2.292 30 40 EEEB Cc1cc(CN(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 40528117 FNLGIDJLQMMDAE-UHFFFAOYSA-N 325.777 2.329 30 40 EEEB C=CC[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)OCC)[C@H]3C=C[C@]21O3 355911 SWEOKISNCSPDIY-XFEYQPKCSA-N 339.391 2.481 30 40 EEEB biogenic N#CCn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3 2657854 JDUPELCTGSABPS-UHFFFAOYSA-N 328.441 2.456 30 40 EEEB CC(C)NC(=O)[C@H](C#N)C(=O)c1cnn(-c2cccc(Cl)c2)c1 103590665 QTYOQGTVJQYIMU-CQSZACIVSA-N 330.775 2.373 30 40 EEEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 12345661 JJKIUNLIBITPPK-OAHLLOKOSA-N 325.372 2.340 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 25120378 OSRKTCPECLRBQK-INIZCTEOSA-N 337.379 2.158 30 40 EEEB CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c1 58393048 JNBSKQKJIMKTMG-JXMROGBWSA-N 345.376 2.189 30 40 EEEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1nn(C)c3ccccc13)CCO2 106763403 FQFOOKNAYDWOJO-NUJGCVRESA-N 341.411 2.148 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CC1 100781514 GHIGRDADUISATB-FDQIELQPSA-N 329.396 2.156 30 40 EEEB CCNC(=O)[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OCC)C1 69563748 MUPPOIFOYARBPC-AWEZNQCLSA-N 344.415 2.337 30 40 EEEB N#CCN(CC#N)C(=O)c1ccn(-c2cccc(Br)c2)n1 69817962 LXMLFUCKANVMSY-UHFFFAOYSA-N 344.172 2.124 30 40 EEEB C#CCCN(C)CC(=O)N[C@H](CC(=O)OC)c1ccccc1Cl 72284297 HFBWDGFDCILYPN-OAHLLOKOSA-N 336.819 2.016 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 89780987 ZLWDDFXXVQMUKC-IAGOWNOFSA-N 337.354 2.099 30 40 EEEB Cc1c(C#N)cccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C 186718527 JMMIUKUHZUVNET-CYBMUJFWSA-N 330.432 2.176 30 40 EEEB C#CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N(C)C 226279310 JSUNHHFWXBRPMP-UHFFFAOYSA-N 328.290 2.068 30 40 EEEB C[C@@H]1C[C@H](C/N=C(/N)N2CCSCC2)CN1Cc1ccccc1 97229332 UUAVSIHVTCICLE-NVXWUHKLSA-N 332.517 2.261 30 40 EEEB C#CCOc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 250642180 HXUQIKAKBLYFBU-YRLUDSIJSA-N 346.386 2.086 30 40 EEEB N#Cc1cccc(CNC(=O)N2CCC(N3CCCCC3=O)CC2)c1 95418643 ZPVKTHYWHWDZCO-UHFFFAOYSA-N 340.427 2.245 30 40 EEEB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 12759362 CKVRMNRJTYGEBT-CZUORRHYSA-N 349.456 2.187 30 40 EEEB O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1ccc(-c2ccccc2)cc1 19319369 PBJXXWUOAZVHEP-UHFFFAOYSA-N 335.431 2.045 30 40 EEEB aggregator,in-vitro CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)o1 6462910 NINXSHOTVGYYPD-QEDIBCMASA-N 327.384 2.267 30 40 EEEB Cc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1 566212 GTNBKKQDIVAXPW-UFFVCSGVSA-N 335.367 2.486 30 40 EEEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)C1=NO[C@@H](c2ccccc2)C1 104055552 CEQIFSRTPJYEOJ-DZGCQCFKSA-N 334.335 2.247 30 40 EEEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)CCn2cc([N+](=O)[O-])cn2)c(C)c1 102707535 CEISXOYOLYSVHV-HNNXBMFYSA-N 340.339 2.390 30 40 EEEB Cc1ccc([C@@H](NC(=O)Cn2cnc(C#N)n2)c2cccs2)cc1 14144102 BWEJMUPLCIIHPG-QGZVFWFLSA-N 337.408 2.426 30 40 EEEB COc1cccc(-n2c(N)c(C#N)c3c(c2=O)CO[C@@H](C(C)C)C3)c1 6760621 FJKMXBFQYLAQEI-QGZVFWFLSA-N 339.395 2.397 30 40 EEEB C=CCNS(=O)(=O)c1ccc(OCC)c(NC(=O)OCC)c1 408585739 IXAXLZDOXSKKFH-UHFFFAOYSA-N 328.390 2.118 30 40 EEEB Cc1noc([C@H]2CN(CCOc3ccc(C#N)cc3)C[C@@H](C)O2)n1 599611263 OUDIJENBOWXMRG-MLGOLLRUSA-N 328.372 2.091 30 40 EEEB N#Cc1nccnc1N1CCC(CNC(=O)Nc2cccs2)CC1 206608365 XLLUCBRYSUHRON-UHFFFAOYSA-N 342.428 2.448 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)/C=C/c3cccs3)CC[C@@H]2C1 1565548614 GJGNZGOAMURHCC-AMFYOEQGSA-N 332.469 2.497 30 40 EEEB N#Cc1nccnc1N1CCC(CNC(=O)/C=C/c2ccccc2)CC1 206601475 HLUROEMPTXXTSI-VOTSOKGWSA-N 347.422 2.394 30 40 EEEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)C(=O)O1 24002488 IOWGXARUWVWCCY-BAABZTOOSA-N 334.711 2.297 30 40 EEEB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OCCCC#N)c1 65621516 YPPDYHIKGJANFC-OAHLLOKOSA-N 345.424 2.335 30 40 EEEB C=CCNC(=O)C[C@@H](C)CC(=O)N1CCN(c2ccccc2F)CC1 4704283 LBUARZMWSRMMRW-OAHLLOKOSA-N 347.434 2.193 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@@H](C#N)C(=O)C2CCCC2)nc1 69696491 NXRAABNVBLGNNY-OAHLLOKOSA-N 349.456 2.479 30 40 EEEB Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2C)n1 71920971 VIJVZZOEUCMXQX-ZDUSSCGKSA-N 332.429 2.047 30 40 EEEB OC[C@@H](O)COCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083806358 MOFSZYLQHJKVKN-RXMQYKEDSA-N 338.166 2.420 30 40 EEEB CCO[C@H](C)c1nc(Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cs1 95401563 PJCFDYGMTJRZPR-SECBINFHSA-N 334.357 2.230 30 40 EEEB COc1ccc([C@@H]2NC(=O)C(=O)/C2=C(/O)c2ccccc2)cc1OC 103542443 BWTROINMJPDKNZ-UYTDBDHRSA-N 339.347 2.413 30 40 EEEB Cc1c(C(=O)[C@H](C#N)C(=O)NC(C)C)nnn1-c1cccc(Cl)c1 103590701 UZDRWRZGKFVMOT-ZDUSSCGKSA-N 345.790 2.076 30 40 EEEB Cc1occc1C(=O)N1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 58226750 XLUAGLYQTYOMDD-VOTSOKGWSA-N 349.390 2.458 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C 69415000 FEIFGAAONHHRLX-GOSISDBHSA-N 339.439 2.313 30 40 EEEB N#Cc1ccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c(Br)c1 97046765 PVMGHDYDLASUDK-UHFFFAOYSA-N 334.129 2.439 30 40 EEEB Cn1ccnc1C[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 98020509 ZNTFDDVOKGICLZ-SFHVURJKSA-N 336.439 2.436 30 40 EEEB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C#N)cc1 27555364 WPMLDYBRQMNMKQ-LBPRGKRZSA-N 327.409 2.157 30 40 EEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(C#N)C=O 218200046 MBXACVAIKIXSNJ-XQQFMLRXSA-N 342.214 2.058 30 40 EEEB N#Cc1cccc(C(=O)N2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1 96161431 UKYBSGHZLYDXPA-NQIIRXRSSA-N 345.402 2.304 30 40 EEEB COc1ccc(/C=N/Nc2ccc(S(=O)(=O)O)cc2)cc1OC 17002171 JBWUPOARFJCZAE-MHWRWJLKSA-N 336.369 2.397 30 40 EEEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCC#N)cc2)cc1 8079428 QKXFSODDEQHOSH-LDADJPATSA-N 329.381 2.210 30 40 EEEB Cc1cc(C)nc([C@@H](C#N)C(=O)c2cnn(-c3ccc(F)cc3)n2)n1 76018649 YECFQEAESMCZOL-AWEZNQCLSA-N 336.330 2.303 30 40 EEEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 27972101 DYHMVWZNUUOEDN-UHFFFAOYSA-N 335.363 2.283 30 40 EEEB C#CCOc1ccc(C(=O)N[C@H]2CCC[C@H](C(=O)NC3CC3)C2)cc1 83812708 BZQSJWSXBOJHQM-RDJZCZTQSA-N 340.423 2.266 30 40 EEEB C=C(C)COc1cccc(NC(=O)C(=O)NCc2cscn2)c1 67562035 GHAPCRMVPRKDMK-UHFFFAOYSA-N 331.397 2.353 30 40 EEEB N#CC1(NC(=O)Cc2csc(N3CCCC3=O)n2)CCCCC1 71815544 LHKUHDRPHJXYAJ-UHFFFAOYSA-N 332.429 2.155 30 40 EEEB C[C@@H](CC#N)NC(=O)c1cc(Br)c2c(c1)OCCO2 69842061 TZQLLUCXABKYFM-QMMMGPOBSA-N 325.162 2.252 30 40 EEEB Cc1noc(C)c1C/C(O)=N/S(=O)(=O)c1ccc(F)c(C#N)c1 66737220 WEAYYSPDTICWMJ-UHFFFAOYSA-N 337.332 2.190 30 40 EEEB C/N=C(/NCCc1c(C)noc1C)N(C)Cc1ccc2c(c1)OCO2 97013719 BEEGVYHAEAYAKZ-UHFFFAOYSA-N 344.415 2.270 30 40 EEEB C#CCn1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c2ccccc21 409141239 HIWZPBSXJDLMHR-RIYZIHGNSA-N 340.360 2.395 30 40 EEEB CC[C@@H]1C[C@H](CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)CCO1 560671364 QGEYARVEGYWWAA-TZMCWYRMSA-N 327.384 2.439 30 40 EEEB CN(C)c1c[nH]ccc1=NC(=O)N1CCc2c(CC#N)cccc2C1 585123582 GIAKJRZUEOZTLO-UHFFFAOYSA-N 335.411 2.226 30 40 EEEB CC[S@+](C)CC[S@@+](C)CC[S@@+](C)CC[S@@+](C)CC 247647242 KSFVLIQDMPBFDX-XLAORIBOSA-N 330.694 2.019 30 40 EEEB CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCCCOC 1615050725 BMIKJMQAXRRRBH-UHFFFAOYSA-N 339.461 2.475 30 40 EEEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2n[nH]c(N)n2)c1 5472725 LPHYKPAUQMCRET-UHFFFAOYSA-N 330.417 2.043 30 40 EEEB N#Cc1ccc(/C=N\N2CCN(/N=C/c3ccc(C#N)cc3)CC2)cc1 17422799 QAVBCVHVDILAKT-REPVBDINSA-N 342.406 2.416 30 40 EEEB Cc1ccc2c(c1)[C@@]1(C)C=C(CN3CCN(C)CC3)C(=O)C[C@@H]1O2 19364748 ZULLLCBLCVVHKZ-VQTJNVASSA-N 326.440 2.160 30 40 EEEB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)nc1 1889138873 POJCYWWEKQYUKQ-KRWDZBQOSA-N 335.411 2.398 30 40 EEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)c4cc[nH]c4)C3)CC2=O)cc1 1565542609 FJXYLVNDTHIMHH-IBGZPJMESA-N 334.379 2.156 30 40 EEEB C=CC/N=C1/S/C(=C/C(=O)OC)C(=O)N1c1ccc(OC)cc1 101384823 IZTMBCIINDMBSS-VTRAWOOYSA-N 332.381 2.374 30 40 EEEB O=C1CCc2cc(/C(O)=N/S(=O)(=O)c3ccc(F)cc3)ccc2N1 42249762 HECFWZXVMBNJER-UHFFFAOYSA-N 348.355 2.404 30 40 EEEB CN(C)c1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 47139147 RDYYIHYAWYJINX-UHFFFAOYSA-N 349.438 2.372 30 40 EEEB Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2OCC#N)cc1 59146567 PPYWCLADOPVEKQ-LDADJPATSA-N 329.381 2.210 30 40 EEEB N#Cc1cccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 14094020 MSIRXXBODZAUSN-UHFFFAOYSA-N 333.347 2.460 30 40 EEEB C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCCC(C)(C)[C@H]1C=O)COC3=O 14448958 KIJKAQHLSSAHOL-HZWIUQJVSA-N 346.423 2.067 30 40 EEEB biogenic,in-vitro C=CCNC(=O)COC(=O)CCC(=O)c1ccc(OCCC)cc1 7778458 CDDHXMTUCSFIKV-UHFFFAOYSA-N 333.384 2.284 30 40 EEEB CC(C)c1nnc2n1CCN(CCC(=O)Nc1sccc1C#N)C2 69696967 ADFHJLPQUQWJJH-UHFFFAOYSA-N 344.444 2.179 30 40 EEEB Cn1ccnc1SCC(=O)NCCSCc1ccccc1C#N 8724609 VZUPVWYNAIKOTF-UHFFFAOYSA-N 346.481 2.433 30 40 EEEB CCOCCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCC2 71859273 ODNSVCZNQXHBNL-GFCCVEGCSA-N 341.429 2.262 30 40 EEEB O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1C=C[C@H]2C12CC2 408723598 XMGFCHXHRGJZRX-JJUHELCGSA-N 343.364 2.187 30 40 EEEB C#CCN1C(=O)S/C(=C\c2ccc(OCC#N)c(OC)c2)C1=O 409377682 KJGPBHBTMPGJFU-UVTDQMKNSA-N 328.349 2.267 30 40 EEEB N#Cc1ccsc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 34872283 QVPBVMNNKHOWNW-UHFFFAOYSA-N 342.424 2.086 30 40 EEEB COc1ccc2ccccc2c1CNS(=O)(=O)N(C)[C@H](C)CC#N 225752226 IEUSDZZMMZEMQP-CYBMUJFWSA-N 347.440 2.417 30 40 EEEB Cc1nsc(NCc2cccc(OCC(=O)N(C)C)c2)c1C#N 283525194 KPHSLJQVNCHDTD-UHFFFAOYSA-N 330.413 2.402 30 40 EEEB C=CCN1C(=S)N(c2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@@H]21 1236221 ACICRKOLNTYEII-GJZGRUSLSA-N 336.482 2.062 30 40 EEEB O=C1C=C(NCCNc2c(F)c(F)c(CO)c(F)c2F)CCC1 100556712 NGFGLYDPEQFTEG-UHFFFAOYSA-N 332.297 2.374 30 40 EEEB N#Cc1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)c1 28040968 NTCCZKDWTZCCBR-UHFFFAOYSA-N 342.424 2.032 30 40 EEEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1 15502887 MWKHFHDBSJZIEE-GOSISDBHSA-N 337.379 2.303 30 40 EEEB CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(C)C 71915432 FYEOLGUVCCCWBF-HZPDHXFCSA-N 345.443 2.116 30 40 EEEB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCC#Cc1ccccc1 69737755 NIXJXHOTGMMLPG-JKSUJKDBSA-N 327.428 2.127 30 40 EEEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)c1ccc2ccccc2n1 69897691 OLZODYCLDCDYJP-CYBMUJFWSA-N 334.397 2.438 30 40 EEEB Cc1cc(C)n(CC(=O)Nc2ccc(F)c(F)c2F)c(=O)c1C#N 409412413 WIQDNBMDDXDEJR-UHFFFAOYSA-N 335.285 2.393 30 40 EEEB CC(=O)N1CCC(=NOC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 408609096 NWRMINGPAACBEE-UHFFFAOYSA-N 339.735 2.403 30 40 EEEB N#Cc1cccnc1NCCOC(=O)c1cnn(-c2ccccc2)c1 78985021 VHOLQCILJYRDSQ-UHFFFAOYSA-N 333.351 2.408 30 40 EEEB N#Cc1ccc(N)c(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c1 521398346 VKZPHVPFXOGLOV-UHFFFAOYSA-N 341.436 2.038 30 40 EEEB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21 36148332 INNRUYVCMFAMHU-UHFFFAOYSA-N 343.364 2.287 30 40 EEEB CN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cn1 69417569 OVVWAKKEXSLDHK-LBPRGKRZSA-N 326.322 2.190 30 40 EEEB COCC[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N 96420723 WRMFCHXREKIWIF-LBPRGKRZSA-N 325.206 2.284 30 40 EEEB CC1=CC(=NOS(=O)(=O)c2cccc([N+](=O)[O-])c2)C=C(C)C1=O 5482556 OAIFKAMKVKCHOX-UHFFFAOYSA-N 336.325 2.131 30 40 EEEB C=CCS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@@H]1COc1cccc(OC)c1 12085313 GDFMOYYTKCYUAD-KEYYUXOJSA-N 337.441 2.443 30 40 EEEB COCCC(=O)NC1(C#Cc2ccc(NC(C)=O)nc2)CCCCC1 12219579 WZSOXUQKTUZGPJ-UHFFFAOYSA-N 343.427 2.247 30 40 EEEB CN(C)/C=C(/C(=O)C(F)(F)F)c1nnnn1-c1ccc(Cl)cc1 33410792 VOQJFDFNFMMISM-YFHOEESVSA-N 345.712 2.350 30 40 EEEB N#Cc1cc(Br)cnc1N1CCC(C(=O)NC2CC2)CC1 2086868957 ISQRYQDYNDGBTP-UHFFFAOYSA-N 349.232 2.211 30 40 EEEB C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 21676202 KYLUIDJCPKGSTA-LBPRGKRZSA-N 328.393 2.453 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2c(C)cccc2C)c(=O)c1C#N 582999 BTQNRLPDPOAICZ-UHFFFAOYSA-N 339.395 2.430 30 40 EEEB C#CCN1C(=O)[C@](O)(CC(=O)c2cccc(OC)c2)c2ccccc21 565181 PCUNJFMVQVOUQU-FQEVSTJZSA-N 335.359 2.136 30 40 EEEB C=CCNC(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 2729217 KIWDQOXRWCOHRD-UHFFFAOYSA-N 336.735 2.397 30 40 EEEB Cc1cc(O)c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c(=O)o1 4817197 FOTIPHOANGGJAC-QPJJXVBHSA-N 341.363 2.387 30 40 EEEB COc1ccccc1[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1nccn1C 45307223 XWCYZRTZQPVHAG-BBRMVZONSA-N 341.415 2.319 30 40 EEEB N#C[C@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccccc1F 71889058 ZAVGUSCKLIASNF-INIZCTEOSA-N 341.342 2.433 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)N(C)CCc2ccccc2OC)c1 72275615 CBBLWMTZUVFXSI-UHFFFAOYSA-N 336.391 2.316 30 40 EEEB O=C(C1CCCC1)N1CCC[C@H]1/C(O)=N/S(=O)(=O)C1CCCC1 86054650 NUOAIXNFDUPEAI-AWEZNQCLSA-N 342.461 2.397 30 40 EEEB Cn1cc([C@@H]2C[C@H]2C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)cn1 78556538 VUGFDPYXBXMAHW-ARFHVFGLSA-N 346.394 2.196 30 40 EEEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)COc1cc(F)ccc1F 78602935 CHBLOFNUWHHQQP-LLVKDONJSA-N 349.355 2.199 30 40 EEEB O=C1/C(=N\Nc2cccnc2)c2cccc(F)c2N1C1CSC1 223757865 CEQSEYXAWUDKKG-ZHZULCJRSA-N 328.372 2.499 30 40 EEEB C[C@@]1(CN/C(=N\C2CCCC2)NCc2nc(C3CC3)no2)CCCO1 195564443 YVXNMMUYDTYBHS-SFHVURJKSA-N 347.463 2.494 30 40 EEEB COC(=O)[C@H]1C(=O)/C(=C/Nc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C 100551703 TWUFVOIVSIRBNQ-BRADTZPFSA-N 346.339 2.248 30 40 EEEB N#Cc1cccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)n1 301251790 BTANDFBWTYTGIS-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB C#CCOCC1CCN(C(=O)NCCc2ccc(OC)cc2)CC1 49028911 GATAWHZJVPUIPV-UHFFFAOYSA-N 330.428 2.309 30 40 EEEB C=CCCC(=O)N1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 225732284 JWVLDUFVZKGHBO-UHFFFAOYSA-N 328.338 2.419 30 40 EEEB Cc1occc1C(=O)[C@@H](C#N)C(=O)CNC(=O)OCc1ccccc1 103935237 UXTWHBJSIWWVAI-HNNXBMFYSA-N 340.335 2.406 30 40 EEEB N#CCc1ccc(NC(=O)COC(=O)c2cnc3ccccc3n2)cc1 6880182 ZAQSWFCRFGZZQP-UHFFFAOYSA-N 346.346 2.491 30 40 EEEB CNC(=O)[C@@H]1CN(Cc2cn3ccccc3c2C#N)c2ccccc2O1 58171402 ZSLXDSCSHBFJFB-IBGZPJMESA-N 346.390 2.325 30 40 EEEB N#CCc1ccc(OCCN2CCN(c3cc(C#N)ccn3)CC2)cc1 71899614 XBJPTSUHHFPWQA-UHFFFAOYSA-N 347.422 2.220 30 40 EEEB N#Cc1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1Cl 12526993 MSGIBONGWLXNGA-UHFFFAOYSA-N 328.759 2.361 30 40 EEEB N#C[C@@H](NC(=O)c1n[nH]c2ccccc2c1=O)c1ccc(F)cc1F 72287891 RBFXILNZLKBCGM-CQSZACIVSA-N 340.289 2.196 30 40 EEEB CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CCO[C@H]2CCC[C@@H]21 95397364 ALZPUNJGZKZWPI-ROUUACIJSA-N 345.418 2.299 30 40 EEEB COc1ccc(Cc2nnnn2Cc2ccc(F)c(C#N)c2)cc1F 95965512 ZEHXWQWXGUDBFD-UHFFFAOYSA-N 341.321 2.471 30 40 EEEB C[C@H]1Cc2cc(S(=O)(=O)N(CC#N)c3ccccn3)ccc2O1 585129857 ZPKRLHQHILTKDE-LBPRGKRZSA-N 329.381 2.124 30 40 EEEB C#CCN1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CC1 76022626 XORZUHPIAKGDSQ-UHFFFAOYSA-N 347.846 2.326 30 40 EEEB N#CCCCSc1nnc(N2CCOCC2)n1-c1ccccc1 12534716 NRCUYSUNICABCF-UHFFFAOYSA-N 329.429 2.500 30 40 EEEB CCCc1noc(CN2CCN(c3ccc(C#N)cc3F)CC2)n1 58333063 PTKOLBJNJZGQDY-UHFFFAOYSA-N 329.379 2.355 30 40 EEEB Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Br 93220633 ITRCSBZXHNNXEG-UHFFFAOYSA-N 336.233 2.475 30 40 EEEB COC(=O)/C(CC(=O)c1ccccc1)=N\N=c1/[nH]cnc2ccccc12 14134875 GNGBVBADJPJMAI-JWGURIENSA-N 348.362 2.266 30 40 EEEB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccccc1C#N 14200306 DYPBOGDMHGCGML-ZHACJKMWSA-N 344.374 2.467 30 40 EEEB C=CCN(Cc1n[nH]c(=O)[nH]1)Cc1cc(Br)ccc1F 91552512 JSEPAMRGBMOKIK-UHFFFAOYSA-N 341.184 2.188 30 40 EEEB Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](CN2CCOCC2)C1 190312252 CCSYZFUMVGZBFQ-HNNXBMFYSA-N 328.416 2.053 30 40 EEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)Cc1c(F)cccc1Cl)C2 225682797 ZRLRRQQMSURJSR-UHFFFAOYSA-N 345.761 2.166 30 40 EEEB C=C[C@](C)(CC)C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 97104385 PWHHQCLSJMNHFV-QFBILLFUSA-N 335.492 2.134 30 40 EEEB N#Cc1cccc(N2CCC[C@@]3(C2)CN(c2ccncn2)CCO3)c1 96074751 HPERJZNGQBWNDI-LJQANCHMSA-N 335.411 2.224 30 40 EEEB CN(C)S(=O)(=O)c1ccc(-c2noc(C3(C#N)CCCC3)n2)cc1 274041776 ZLDQJEHECVASOJ-UHFFFAOYSA-N 346.412 2.322 30 40 EEEB CN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)c2cc([N+](=O)[O-])ccc21 6320592 OKHRIEWOTFNPKR-VKAVYKQESA-N 341.283 2.296 30 40 EEEB C=CCOC(=O)[C@H]1[C@@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@]1(C)O 4908709 NWUXBZWNOPUFOF-JOQOYGCGSA-N 346.358 2.039 30 40 EEEB C=CCN1CCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 67284368 OZXSUGJANKVJKE-UHFFFAOYSA-N 346.822 2.146 30 40 EEEB CS(=O)(=O)c1cccc(C(=O)OCc2ccc(C#N)cc2F)c1 11283907 CVQNPBVQGDJTNS-UHFFFAOYSA-N 333.340 2.458 30 40 EEEB C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 65443298 AKOAVFQMRKEYIB-NSHDSACASA-N 329.404 2.054 30 40 EEEB Cc1nc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)no1 69618810 GLMBUBCERCDQKJ-UHFFFAOYSA-N 345.156 2.375 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1/C=N/[C@H]1C[C@H]2CC[C@H]1C2 408526813 GTIYEWDDRJFJLI-KSIWSJILSA-N 343.358 2.284 30 40 EEEB Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 528970005 UUUOEFXDGULNGZ-CHWSQXEVSA-N 345.305 2.412 30 40 EEEB C=CCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cn1 225925658 OPBRDXSIJDRLQR-UHFFFAOYSA-N 329.400 2.234 30 40 EEEB C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)c1cccc(F)c1 330032829 SBNPFKJGRFKUMQ-GFCCVEGCSA-N 327.425 2.172 30 40 EEEB N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(Cl)cc1 601735853 OIYNCCMLQQWDAE-UHFFFAOYSA-N 331.763 2.024 30 40 EEEB CCc1ncnc(O[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c1F 239611969 FGJOZJXEDVHDLS-AWEZNQCLSA-N 340.358 2.343 30 40 EEEB N#CC1(COC(=O)c2ccn(-c3ccc(F)cc3)n2)CCOCC1 97056737 OWODNNBLYNYECW-UHFFFAOYSA-N 329.331 2.489 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)nc1 58208859 ILRCCMRXCUWMRH-UHFFFAOYSA-N 328.322 2.194 30 40 EEEB Cc1ccc([C@]2(C)NC(=O)N(CCOc3cccc(C#N)c3)C2=O)o1 58293160 RMKNQAAXEIXXGH-SFHVURJKSA-N 339.351 2.306 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)c1cc2c([nH]c1=O)CCCC2=O 58356057 ADKUZYOLPMWPPK-UHFFFAOYSA-N 348.402 2.478 30 40 EEEB COCCN1CCCC2(CCN(Cc3ccc(C#N)cc3)CC2)C1=O 108533762 DXZUGDWTRNREQJ-UHFFFAOYSA-N 341.455 2.409 30 40 EEEB CCc1ccc2nc(NC3=NCN(CCS)CN3)nc(C)c2c1 20634372 MTWHFYNRRRHIIH-UHFFFAOYSA-N 330.461 2.019 30 40 EEEB CC/N=C(/NCCOC)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 81984407 NOXGRIVEAKWMSG-ZBFHGGJFSA-N 338.521 2.333 30 40 EEEB C=C(Br)CN1CCC[C@H](C(=O)NCC(F)(F)F)C1 75928034 JJJNOGIQHUBJHX-VIFPVBQESA-N 329.160 2.286 30 40 EEEB Cc1sc2ccccc2c1S(=O)(=O)N1CCN(CC#N)CC1 84937468 GWOBXXQQVQARMC-UHFFFAOYSA-N 335.454 2.040 30 40 EEEB Cc1nc2c(c(N3C[C@@H]4CN(c5ccc(C#N)nc5)C[C@H]4C3)n1)CCC2 1888866845 FNATWUPUVTUCGR-GJZGRUSLSA-N 346.438 2.113 30 40 EEEB CC(C)(C)c1nc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)cs1 40543286 GMEQNTWYRGBBTD-UHFFFAOYSA-N 330.413 2.019 30 40 EEEB N#Cc1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 21822173 DMFLFWBNBFJJKW-UHFFFAOYSA-N 334.423 2.315 30 40 EEEB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1 2621440 YVKNNIPEELGLID-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB CN(C)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(F)c1 47032801 ZMELAYWEPAUNNB-KRWDZBQOSA-N 347.415 2.279 30 40 EEEB C[C@H]1CN(Cc2csc(NC(=O)c3c[nH]c(C#N)c3)n2)C[C@@H](C)O1 97233612 QAFIUIMYQFEZQE-PHIMTYICSA-N 345.428 2.204 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2ccnc2)c1 58250344 JLCWYUHXWXTLNT-CQSZACIVSA-N 347.378 2.223 30 40 EEEB Cc1nn(C[C@H](O)c2ccccc2C(F)(F)F)c(=O)c(C#N)c1C 58356110 QWJKGGXMZPGAHS-AWEZNQCLSA-N 337.301 2.484 30 40 EEEB COc1ccccc1CN/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 20761436 QYTKEBBHOWMNIJ-RQZCQDPDSA-N 331.328 2.441 30 40 EEEB C=CCO[C@H](C)C(=O)Nc1ncccc1I 69452035 ITELHPLOIYVDFU-MRVPVSSYSA-N 332.141 2.216 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NCc2ccc(OCC)c(F)c2)c1 71880090 DOWZNWSSILAAOD-UHFFFAOYSA-N 340.354 2.461 30 40 EEEB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1sccc1C#N 95983651 WRUZURHSNCOMGQ-CYBMUJFWSA-N 330.413 2.184 30 40 EEEB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N(CC#N)C3CCCC3)cc21 95966120 SMEWVOJFOSPHAW-UHFFFAOYSA-N 347.440 2.373 30 40 EEEB N#CCn1cc(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21 409363422 WMYVXSFWBBXIKS-UHFFFAOYSA-N 343.346 2.463 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2cccc(C#N)c2)C1 89223501 PSVQCZGSKUJKII-CQSZACIVSA-N 336.413 2.341 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)n1 96047668 PYNPSNMPNJYAJW-PBHICJAKSA-N 341.440 2.255 30 40 EEEB C#CCCCCC(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)OC 1616033029 YJUNGSMRMFRBSU-IBGZPJMESA-N 341.411 2.278 30 40 EEEB C/C=C1\C[N@+]2(C)CC[C@]34c5cccc(O)c5N[C@H]3[C@@H](C=O)[C@H]1C[C@H]42 585153194 PJCKBNVXZFTIME-CKIWPYIDSA-O 325.432 2.438 30 40 EEEB biogenic,in-vitro COc1ccc(OC)c(S(=O)(=O)/N=C(\O)c2c(C)noc2C)c1 48493049 CANFOTLBBWFOIM-UHFFFAOYSA-N 340.357 2.002 30 40 EEEB C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C 585081528 YWMSEFJFERLBHA-JCKWVBRZSA-N 344.459 2.333 30 40 EEEB N#Cc1ccc(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1888901320 MFMGJICIXZTQSX-OALUTQOASA-N 345.402 2.175 30 40 EEEB N#Cc1ccc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)cn1 2087012314 UOWUALDDJGVTNX-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB COC(=O)N1CCC(NCc2c(C)c(C#N)n3ccccc23)CC1 84028279 PGZXWKLTTHNZQF-UHFFFAOYSA-N 326.400 2.440 30 40 EEEB C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O 1560625 LVPZJIGICMPWFH-NHYWBVRUSA-N 325.412 2.177 30 40 EEEB biogenic,in-vitro N#Cc1ccc(N2CCC(C(=O)NOCc3ccccc3)CC2)nc1 24060487 UXDSUJRDLJTPER-UHFFFAOYSA-N 336.395 2.418 30 40 EEEB N#Cc1ccccc1N1CCCN(C(=O)NCc2ccncc2)CC1 42881798 DKWFOYNCHCTJAA-UHFFFAOYSA-N 335.411 2.375 30 40 EEEB CCCOc1ccc(C(=O)NCCCc2n[nH]c(N)c2C#N)cc1 12601192 SOIKJIKBIWZUEY-UHFFFAOYSA-N 327.388 2.015 30 40 EEEB N#Cc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3O4)CC2)cc1 108080229 DVODSRMTFXXAPS-KZNAEPCWSA-N 325.412 2.164 30 40 EEEB CN(CCC#N)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 58166095 FXCTYBNLUOSRGB-OAHLLOKOSA-N 331.416 2.494 30 40 EEEB Cc1csc(CNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)n1 44894646 OOQSOYXSJXUQPC-UHFFFAOYSA-N 341.440 2.251 30 40 EEEB C=CCN(CC(F)(F)F)C(=O)CCn1cnc2ccccc2c1=O 58363993 FLQPEUAFRLPLST-UHFFFAOYSA-N 339.317 2.364 30 40 EEEB N#Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1 3460036 HQRRSLZZJJXRSL-UHFFFAOYSA-N 338.319 2.125 30 40 EEEB N#Cc1ccc(OCCN2CCC[C@@H]2C(=O)NCc2ccco2)cc1 27142188 MKYRDPGBDCWJGM-GOSISDBHSA-N 339.395 2.311 30 40 EEEB CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1(C#N)CCC1 66322269 WTBDLNDUUBATGP-UHFFFAOYSA-N 346.330 2.498 30 40 EEEB CN(C)c1ncccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 69417602 VVBFCCFUQWSSPV-UHFFFAOYSA-N 336.804 2.473 30 40 EEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C#N)C=O 225642611 MBXACVAIKIXSNJ-YNEHKIRRSA-N 342.214 2.058 30 40 EEEB CC(C)(O)CN(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 192795571 MFELCGSKCAZVTG-KRWDZBQOSA-N 327.428 2.289 30 40 EEEB C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C1(C#N)CCC1 96422416 WSCDMOVDBBGXQN-MRXNPFEDSA-N 326.444 2.007 30 40 EEEB COc1ccc([C@@H]2CC(=O)C=C(Nc3nonc3N)C2)c(OC)c1 101617839 RZXNCCIBWIPSLE-VIFPVBQESA-N 330.344 2.112 30 40 EEEB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)o1 32801390 ZUACPEZCZHQLBY-UHFFFAOYSA-N 347.396 2.480 30 40 EEEB CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/N=C(/C)c1ccc(OC)cc1 103707792 NDECGRWQUCGLKE-BPXZVOKTSA-N 349.412 2.214 30 40 EEEB COc1ccc(-c2cc(N3CCOCC3)c(C#N)c(=O)o2)cc1OC 35245750 PQHXWZSLPDCYEY-UHFFFAOYSA-N 342.351 2.032 30 40 EEEB N#CCN(C1CCCC1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 96428127 IGUCBAJMYNHRGH-UHFFFAOYSA-N 348.403 2.468 30 40 EEEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cc(F)ccc1F 69282611 BUHVLUMCPVHSOT-GXSJLCMTSA-N 349.355 2.194 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NCC)ccc1C 69375966 MMDPZKKPVGEVAL-QGZVFWFLSA-N 327.428 2.171 30 40 EEEB C=CCN(CC1CCCCC1)S(=O)(=O)[C@@H]1CCCN(C(C)=O)C1 71911231 GIWAZAQXLRHINV-QGZVFWFLSA-N 342.505 2.395 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2OCC(C)C)C1=O 408605982 ZUYBSPACIWGRCG-UVTDQMKNSA-N 328.368 2.369 30 40 EEEB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=N)N[N+](=O)[O-])o1 408718219 BZFYWCBVPAICOH-APSNUPSMSA-N 346.303 2.111 30 40 EEEB CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1cnc(-c2ccccc2)nc1 194814179 PAOAUZBRWVWUHQ-QGZVFWFLSA-N 342.424 2.456 30 40 EEEB C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 224036343 SGQVTMGOXXORMC-UHFFFAOYSA-N 346.408 2.412 30 40 EEEB N#Cc1nccnc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 92964094 ZMUGXAYBKMAXAP-LLVKDONJSA-N 335.289 2.420 30 40 EEEB N#Cc1cccc(N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)n1 1888844401 SZPQTLMMIUTQOO-HUUCEWRRSA-N 332.411 2.193 30 40 EEEB CON=C(C(=O)OC)c1ccccc1CONC(=O)OC(C)(C)C 1857775469 SMHYWHTZUXYXNC-UHFFFAOYSA-N 338.360 2.166 30 40 EEEB C#CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1 4536048 CEVNMXBJSIBZTD-KRWDZBQOSA-N 325.339 2.343 30 40 EEEB C=CCO[C@H]1CN(C(=O)Cc2ccc(OC)c(F)c2)[C@@H]2CCCO[C@H]12 2055759229 AAHYMUCJXAKPFP-AYBZRNKSSA-N 349.402 2.338 30 40 EEEB CCOC(=O)c1sc2ncn(/N=C/c3ccco3)c(=O)c2c1C 1454993 AOPAMQFTKFMNNB-REZTVBANSA-N 331.353 2.418 30 40 EEEB Cc1ccc(C(=O)[C@H](C#N)C(=O)c2cccc(-n3cnnn3)c2)s1 100871568 QVGXHDFLRSUFMS-CYBMUJFWSA-N 337.364 2.238 30 40 EEEB COC(=O)c1sc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C#N)c1C 102204509 KUKOXFGXHCJLLG-NXEZZACHSA-N 330.365 2.170 30 40 EEEB Cc1nc2c([nH]c3ccccc32)c(=O)n1/N=C/c1ccc(O)cc1O 500902 KRMGEEJPEDVZMY-DJKKODMXSA-N 334.335 2.480 30 40 EEEB C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C(C)(C)C#N 72288469 ZKFZXIWZAGFIFA-VXGBXAGGSA-N 339.436 2.413 30 40 EEEB Cc1noc(C)c1CC/C(O)=N/S(=O)(=O)c1cccc(C#N)c1 48598775 SVJUPVCKFCTORW-UHFFFAOYSA-N 333.369 2.441 30 40 EEEB N#CC1(CS(=O)(=O)N2CC(Oc3ccccc3Cl)C2)CC1 97144697 MIOADXDBXUMGNN-UHFFFAOYSA-N 326.805 2.037 30 40 EEEB CN(CC(=O)NCc1ccc(-c2ccn[nH]2)cc1)c1ccc(C#N)cn1 65585443 RCTCNJKTBGYXNH-UHFFFAOYSA-N 346.394 2.096 30 40 EEEB COc1ccc(CN2C[C@@H](C(=O)[C@@H](C#N)c3ccccn3)CC2=O)cc1 71855182 RZCGJGSWAUVXJY-RDJZCZTQSA-N 349.390 2.315 30 40 EEEB N#Cc1ccc(N2CCC(CS(N)(=O)=O)CC2)cc1C(F)(F)F 75051010 BTOYRTSRWQYQDB-UHFFFAOYSA-N 347.362 2.082 30 40 EEEB CC(C)(C)CCS(=O)(=O)/N=C(\O)[C@H]1CS[C@]2(C)CCC(=O)N12 79036980 JPXFHDSJHBUOJW-QMTHXVAHSA-N 348.490 2.163 30 40 EEEB CC[C@@H](C)CS(=O)(=O)/N=C(\O)c1cccc2c1O[C@@H](C)C(=O)N2 79029181 XWNHITPJTLFRRQ-ZJUUUORDSA-N 340.401 2.087 30 40 EEEB CC(=O)C1=C(O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 136618399 OACSUKAIVHQATB-ULQDDVLXSA-N 333.340 2.439 30 40 EEEB CC(C)c1ccccc1OCCNC(=O)NC1CCN(CC#N)CC1 95395175 YJSQRHRBPCQQNI-UHFFFAOYSA-N 344.459 2.476 30 40 EEEB CC(C)n1c(Sc2nccnc2C#N)nnc1C1CCNCC1 96410276 XLPBMCALDGNMLT-UHFFFAOYSA-N 329.433 2.139 30 40 EEEB CC[C@H](C#N)S(=O)(=O)NCc1ccc(Br)cc1C 95439683 QTSAFSPIMJTRHT-GFCCVEGCSA-N 331.235 2.479 30 40 EEEB COc1cccc(/C=N\OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 16972298 RIAFKWNXKGAUAM-UNOMPAQXSA-N 343.339 2.384 30 40 EEEB CCc1ccc(-c2nnn(CC(=O)NC3(C#N)CCCCC3)n2)cc1 7041307 DSCWVOYZPQRQBM-UHFFFAOYSA-N 338.415 2.245 30 40 EEEB N#C/C(=N\Nc1cccc(C(F)(F)F)c1)C(=N)N1CCOCC1 66822 ZVXWHWRRQYRGBN-RARWTCAYSA-N 325.294 2.306 30 40 EEEB N#Cc1cccnc1N1CCN(c2ccc(NC(=O)C3CC3)nc2)CC1 2298049582 FCGXARFACHKQCT-UHFFFAOYSA-N 348.410 2.023 30 40 EEEB CCN(CC)c1nc2sc(C(=O)[C@H](C#N)C(=O)NC)cc2s1 103275589 KYUKSBNNDZOANF-QMMMGPOBSA-N 336.442 2.272 30 40 EEEB N#Cc1ccc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 104126173 MEFGNIQKEKQLDD-HNNXBMFYSA-N 333.347 2.016 30 40 EEEB CCOc1ccc(C(=O)CCC(=O)NC2CCN(CC#N)CC2)cc1 69843329 HGOYYXRPCDKAJF-UHFFFAOYSA-N 343.427 2.152 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 58427057 JDVCVLYAXAVTKB-LXXRFIIISA-N 342.399 2.300 30 40 EEEB N#CC1(NC(=O)c2cc(Br)ccc2F)CCOCC1 71908925 SOOSFPNZLSLURZ-UHFFFAOYSA-N 327.153 2.391 30 40 EEEB C#CC[C@@H](OC(=O)c1ccc(-n2cnnn2)c(C)c1)c1ccccn1 65550446 AYLIQHHECGLUOJ-QGZVFWFLSA-N 333.351 2.287 30 40 EEEB C#CCN(C(=O)c1ccc(S(=O)(=O)NC)cc1)C1CCCCC1 65603870 OBPIUNBODHWHGF-UHFFFAOYSA-N 334.441 2.003 30 40 EEEB C=CCOc1c(Br)cc(CNCCO)cc1OCC 4670801 VYDMXTINWLTIRT-UHFFFAOYSA-N 330.222 2.495 30 40 EEEB C#CCOCCC(=O)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 93245443 PCVXDFRSIRGAMT-GJZGRUSLSA-N 341.329 2.380 30 40 EEEB CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cnc(C)cn2)C1=O 98050533 YXKSFGJNCSKLBV-QGZVFWFLSA-N 347.419 2.101 30 40 EEEB N#Cc1ccc(F)c(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 89780837 SIEBXKIHPXDYOS-UHFFFAOYSA-N 349.343 2.225 30 40 EEEB N#CCc1ccc(OCC(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 75572809 DZKJMODXYXDCBC-KRWDZBQOSA-N 338.363 2.464 30 40 EEEB CC(C)(C)CCS(=O)(=O)/N=C(\O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 79036977 JPXFHDSJHBUOJW-HZMBPMFUSA-N 348.490 2.163 30 40 EEEB CC(C)S(=O)(=O)/N=C(\O)[C@H]1CCCN(C(=O)c2ccccc2)C1 78719153 TUEBESPSWSUINS-AWEZNQCLSA-N 338.429 2.234 30 40 EEEB C/N=C(/NCCn1cc(C)cn1)NC1CCN(c2ccccc2)CC1 131575224 NKOZDHRORIJNCP-UHFFFAOYSA-N 340.475 2.026 30 40 EEEB Cc1nc(CN2CCN(c3cc(C#N)c4ccccc4n3)CC2)no1 76063084 LKNUAUFFNKQNGR-UHFFFAOYSA-N 334.383 2.120 30 40 EEEB CC(C)(C)c1nc(CN(c2cccc(C#N)c2)S(C)(=O)=O)no1 78389768 KFNLNEGBTZNQCY-UHFFFAOYSA-N 334.401 2.205 30 40 EEEB C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 106034155 PXDQCWOLCSGMAZ-MRXNPFEDSA-N 349.519 2.428 30 40 EEEB N#Cc1ccc(CN2CCC(c3ccnn3CCO)CC2)c(F)c1 58289996 KXVUNLXXPGFIDQ-UHFFFAOYSA-N 328.391 2.266 30 40 EEEB CC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238222 PPKMIOSTAIZPBQ-NSHDSACASA-N 342.424 2.315 30 40 EEEB CC/N=C(/NCc1ccc(CN2CCCC2=O)cc1)N1CCCC1 95350507 JRYUNYYIKAKQQM-UHFFFAOYSA-N 328.460 2.370 30 40 EEEB Cc1ccc(N2CCC[C@@H](NCCOc3cccc(C#N)c3)C2)nn1 71859789 WKIKEVDONNEVRU-QGZVFWFLSA-N 337.427 2.294 30 40 EEEB CC(C)c1ncsc1/C(O)=N/[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 331314399 IOEIYNWQCJYDGF-GHMZBOCLSA-N 345.490 2.289 30 40 EEEB COc1cc(F)c(F)cc1NC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 585141043 OKTCGLVAGSCNFU-QWRGUYRKSA-N 338.358 2.423 30 40 EEEB Cc1cc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc(C)c1O 69568057 FRRJBCACROJFLZ-UHFFFAOYSA-N 341.342 2.275 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(C)C)n[nH]1 75123747 OWOXBDGFYGUPRH-UHFFFAOYSA-N 327.388 2.281 30 40 EEEB C#CCNC(=O)c1ccc(=O)n(CCCc2ccc(Cl)cc2)c1 88520237 UDUKJXOIQKCSDT-UHFFFAOYSA-N 328.799 2.498 30 40 EEEB CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2 19118210 VVNOOYSVJDNWQK-UHFFFAOYSA-N 332.473 2.278 30 40 EEEB C=CCN1CC2(CCN(Cc3cccc(OC)c3)CC2)OCC1=O 2055713518 ZNVBQSVXKKSLGB-UHFFFAOYSA-N 330.428 2.075 30 40 EEEB Cc1ccc(C[C@H](C#N)Sc2nnc(Cn3cncn3)o2)cc1 78383471 QRPLFIDGONBFEI-CYBMUJFWSA-N 326.385 2.245 30 40 EEEB C#CCN1C(=O)S/C(=C\c2ccccc2OCC(=O)OCC)C1=O 13881596 KJRZPSURWCCTSJ-UVTDQMKNSA-N 345.376 2.298 30 40 EEEB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(C#N)cc2)C(=O)N1c1ccccc1 14160075 CHYJPXTYHOLWMP-CYBMUJFWSA-N 348.362 2.354 30 40 EEEB C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C(C)(C)CO1 96002038 PZYKEMNYNVFTHV-JTQLQIEISA-N 328.821 2.400 30 40 EEEB C=CCn1c(SCC(=O)NCCOC)nnc1-c1cccc(C)c1 5885332 MJFMJYIHJYLEQU-UHFFFAOYSA-N 346.456 2.294 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CNc1c(F)cccc1-n1cccn1 69814983 KOZVFDHCIICBEJ-KRWDZBQOSA-N 329.379 2.478 30 40 EEEB C=CCS(=O)(=O)/N=C(\O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 89286898 ORMAEOOEQGADKD-JTQLQIEISA-N 342.804 2.165 30 40 EEEB CCN1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2C#N)CC1 226280320 XKACLZMRUIRQAH-UHFFFAOYSA-N 340.349 2.225 30 40 EEEB C=CCn1c(SCc2nccn2Cc2ccccc2)n[nH]c1=O 96469724 DGIATDLSKBADEI-UHFFFAOYSA-N 327.413 2.295 30 40 EEEB N#Cc1cccc(N2CCC[C@]3(CN(Cc4ccncc4)CCO3)C2)n1 96074797 RNHCMBJPTLSXLF-FQEVSTJZSA-N 349.438 2.220 30 40 EEEB C=CCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 252486683 HOOBJSXNVDRBHN-CZUORRHYSA-N 339.461 2.452 30 40 EEEB N#Cc1cccc(C(=O)OCC(=O)COC(=O)c2cccc(C#N)c2)c1 20863367 RGBSNLHSECRDLZ-UHFFFAOYSA-N 348.314 2.013 30 40 EEEB C=C(C)C[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 3231240 IDZVBZRLNMBRMS-MZZPOWALSA-N 325.364 2.392 30 40 EEEB biogenic COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccccc3O)cnc12 526558 CURCDZJVPMRCRF-AWQFTUOYSA-N 334.335 2.474 30 40 EEEB Cc1nnc(O)nc1N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 10257321 FRWAWGFOZYLHQZ-CAOOACKPSA-N 343.778 2.479 30 40 EEEB C=C(C)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 12815074 JIZYCTREBHRGSG-LJQANCHMSA-N 342.395 2.493 30 40 EEEB CC(C)CN1CCC(NC(=O)COc2ccc(CC#N)cc2)CC1 63825305 MCSWGZWFVLVPSS-UHFFFAOYSA-N 329.444 2.368 30 40 EEEB CC(C)n1ccc(=O)nc1SCC(=O)Nc1cccc(C#N)c1 70039567 YVGZPJCVDJQZNF-UHFFFAOYSA-N 328.397 2.427 30 40 EEEB C[C@@H](C#N)CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 69739275 BDEZPEAVKXUZGM-UONOGXRCSA-N 349.456 2.139 30 40 EEEB CC#CCCNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 95467877 LJCVZBZZJOCQAI-LLVKDONJSA-N 325.334 2.438 30 40 EEEB C=CCNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 75110485 CMCWOYSDVMDMGV-NWDGAFQWSA-N 327.425 2.232 30 40 EEEB C[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](CN(C)c2cccnn2)C1 89904740 VGLSZKACOSCBHE-MAUKXSAKSA-N 337.427 2.246 30 40 EEEB CC#CC(=O)N(C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 330032855 SJCFTGCZOJNVRN-UHFFFAOYSA-N 342.420 2.469 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N\Cc3ccco3)C2=O)cc1 408526804 GLZIJFVZHAIFHW-KPYNCUPYSA-N 325.324 2.058 30 40 EEEB CCN(CC#N)S(=O)(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 1615585581 JKAPZEUDWFFPHR-CHWSQXEVSA-N 343.246 2.480 30 40 EEEB C#CCN(Cc1ccc(F)cc1)C(=O)Cn1cnc2ccccc2c1=O 58180595 YPAUHVXVMRIUKQ-UHFFFAOYSA-N 349.365 2.198 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc(O)cc(C(F)(F)F)n1 69629921 IWJVROLMYJEILK-LBPRGKRZSA-N 348.350 2.348 30 40 EEEB C=CCN1C(=O)c2ccccc2NC12CCN(C(=O)C1CC1)CC2 69842800 SQGBVGSTHQPNTM-UHFFFAOYSA-N 325.412 2.469 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)nc1 71821389 MIGWQVQCSQBRBB-UHFFFAOYSA-N 338.436 2.466 30 40 EEEB C=CCNC(=O)NC(C)(C)COc1ncccc1Br 95467181 QRVYXQDVZDLMMK-UHFFFAOYSA-N 328.210 2.487 30 40 EEEB CCO[C@H]1C[C@H](O)C12CCN(c1nnc(CC)c(CC)c1C#N)CC2 95412079 PDAHWPAYOJDRQO-IRXDYDNUSA-N 344.459 2.229 30 40 EEEB Cc1nc(CN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cs1 75124547 NLVVROGALPQNPI-UHFFFAOYSA-N 344.440 2.220 30 40 EEEB Cc1cccc(N[C@@H]2CCN(c3sccc3C#N)C2=O)c1C(N)=O 89686268 SDAUJEXZBMHIID-CYBMUJFWSA-N 340.408 2.245 30 40 EEEB N#CCCN1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1 28120611 KOPHRAJFSWLCSC-QBFSEMIESA-N 332.454 2.250 30 40 EEEB C=CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 409057759 QROCCHDOVFIZHM-UHFFFAOYSA-N 341.150 2.308 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 225799769 NVRNWENYWZCYAB-ZDUSSCGKSA-N 334.335 2.388 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 96410073 FBUNMLOBOLRTPZ-SFHVURJKSA-N 337.427 2.178 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)CN3CCO[C@H](C)C3)c2C#N)C1 36390060 XIOFORDSZYDHPS-NWDGAFQWSA-N 333.457 2.404 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1Cc2ccccc21 75118108 DDXGGQVPGJIJJQ-HNNXBMFYSA-N 335.407 2.252 30 40 EEEB O=c1c2[nH]c3ccccc3c2nc(O)n1/N=C/c1ccc([N+](=O)[O-])cc1 17029078 LMJBHZBMYXJLOG-GIJQJNRQSA-N 349.306 2.374 30 40 EEEB Cc1cc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)c(C)o1 206601235 FGOAKCDYQOTWQA-UHFFFAOYSA-N 339.399 2.205 30 40 EEEB C=CC[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)OCC)[C@H]3C=C[C@]21O3 485851 SWEOKISNCSPDIY-GFAJBQDWSA-N 339.391 2.481 30 40 EEEB biogenic CSCCC(=O)[C@@H](C#N)c1nc(N)nc(Nc2ccccc2)n1 69842145 CYPVPHQJPJOCPC-LLVKDONJSA-N 328.401 2.127 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2sccc2C1 12216103 YFSOIFRPYFWSSQ-UHFFFAOYSA-N 341.436 2.442 30 40 EEEB CCCc1n[nH]c([C@H]2CN(Cc3ccc(F)cc3C#N)CCO2)n1 76049506 LQHMKPDNNZZQTC-OAHLLOKOSA-N 329.379 2.341 30 40 EEEB Cn1ncc2c1CCC[C@H]2NC(=O)NCc1ccc(C#N)cc1F 78555854 SDVWMTSUJGUYBW-OAHLLOKOSA-N 327.363 2.308 30 40 EEEB CCc1cc(C#N)c(NC(=O)CCc2c(C)nc(C)[nH]c2=O)s1 79263345 OTQDLBWLPJZTAK-UHFFFAOYSA-N 330.413 2.454 30 40 EEEB COC(=O)C(=O)C1=C(c2ccco2)NC(=S)N[C@H]1c1cccs1 102703150 KVOFTZOIBJSBIL-LBPRGKRZSA-N 348.405 2.013 30 40 EEEB C[C@@H]1CN([C@H](CNc2nccnc2C#N)c2cccs2)CCO1 106906157 WTZNWNWUWYIYRC-TZMCWYRMSA-N 329.429 2.284 30 40 EEEB N#Cc1cccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 11591219 DLTGTVOFIDKHMZ-LJQANCHMSA-N 333.347 2.288 30 40 EEEB CCn1c(C)cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1C 71821440 ADADEEBZKWINGT-UHFFFAOYSA-N 337.427 2.354 30 40 EEEB C[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 97037695 DFOIGDNYLHOROU-QWHCGFSZSA-N 345.447 2.225 30 40 EEEB C=CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC 409026576 SKJGPCILCRIGKX-ZROIWOOFSA-N 332.381 2.366 30 40 EEEB N#Cc1cnc2cc3c(cc2c1N1CCC(C(=O)O)CC1)OCCO3 72221260 WSSHBTKUBXNMGU-UHFFFAOYSA-N 339.351 2.179 30 40 EEEB Cc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)c(F)c1 96446394 XBPYFWMWGKOOFQ-UHFFFAOYSA-N 334.395 2.214 30 40 EEEB C=CCOC(=O)C(NC(=O)OCCCC)NC(=O)OCCCC 5462998 JKXGQLLHZWZCPS-UHFFFAOYSA-N 330.381 2.094 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1OC 169682459 AJOZUAJEQPCWCU-NENZEXLSSA-N 340.379 2.235 30 40 EEEB CN(C)C(=O)COc1ccccc1C(=O)OCc1cccc(C#N)c1 17835985 CBKOYAOINUQZAJ-UHFFFAOYSA-N 338.363 2.382 30 40 EEEB N#Cc1ccc(N2CC(n3nc(-c4cccc(F)c4)ccc3=O)C2)nc1 1775973353 GQGDHUBLTSIOOM-UHFFFAOYSA-N 347.353 2.377 30 40 EEEB CC[C@@]1(c2ccc(OC(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 79017934 QHKJRNXDVVXNHM-IBGZPJMESA-N 349.346 2.222 30 40 EEEB N#CCOc1ccc(Br)cc1/C=C1\SC(=N)NC1=O 6828690 KTOWRBCSTQSWLC-POHAHGRESA-N 338.186 2.490 30 40 EEEB CCOC(=O)C1=C(NC(C)=O)S[C@H]2C(Cl)=C(/C=N\O)CC[C@@H]12 103899479 IZWZFDZCMRHNNA-BUAMAALPSA-N 344.820 2.376 30 40 EEEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CCOCC2)n1 9157500 NPOIJAGMAVESAN-UHFFFAOYSA-N 345.346 2.231 30 40 EEEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(O)c1 408592100 XQTVBULQRYAKDY-AHGCKNSVSA-N 340.379 2.320 30 40 EEEB Cc1c(/C=C/C(O)=N/S(=O)(=O)CCc2ccccc2)cnn1C 95441499 BNDXRLCNBPHEMN-CMDGGOBGSA-N 333.413 2.271 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 95964941 DMLDKZSQEVIAJL-ZFWWWQNUSA-N 342.447 2.101 30 40 EEEB CN(C)CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 95939431 MQOXFOUHTSQIIU-UHFFFAOYSA-N 339.436 2.050 30 40 EEEB Cc1cccc2c(N3CCC[C@@H](N4CCNC4=O)C3)c(C#N)cnc12 75147389 RKSMNQQAFMPMRS-OAHLLOKOSA-N 335.411 2.409 30 40 EEEB CC(C)/N=C(\O)CN1CCN(C(=O)c2ccc3ccccc3n2)CC1 32721376 BZAOBHNKIQVSLM-UHFFFAOYSA-N 340.427 2.358 30 40 EEEB Cc1nn(C[C@H](O)COc2ccc(C#N)cc2)cc1Br 97235804 VMMHPQTWZLLYKW-LBPRGKRZSA-N 336.189 2.266 30 40 EEEB C=C1CCN(S(=O)(=O)c2ccc(C#N)cc2NCCCOC)CC1 1615050981 QSAIKECLYIMENV-UHFFFAOYSA-N 349.456 2.347 30 40 EEEB N#Cc1cn(-c2ccc(NC(=O)/C=C/c3ccncc3)cc2)nc1N 78808686 AIUNSRHXBSJKNT-LZCJLJQNSA-N 330.351 2.373 30 40 EEEB COc1ccc(OC)c(/C=N\n2c(S)nnc2C(F)(F)F)c1 1091206 DRCJKZQIRZYOIK-SOFYXZRVSA-N 332.307 2.485 30 40 EEEB N#Cc1cc(C#N)c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1N 19809506 YNWHUNAFMVYNEK-UHFFFAOYSA-N 342.296 2.375 30 40 EEEB C=CCN1C(=O)COC2(CCN(Cc3cccc(OC)c3)CC2)[C@@H]1C 2055713425 NRCNKYLQEJTFRY-INIZCTEOSA-N 344.455 2.463 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 104055702 XHGRMCOCANZHEW-JSGCOSHPSA-N 334.335 2.068 30 40 EEEB C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cccc(C#N)c2)C[C@@H](C)O1 106152898 YRGAGXWGSYPXGP-IIDMSEBBSA-N 327.428 2.272 30 40 EEEB N#Cc1cnc(N2CCN(Cc3c(F)cccc3Cl)CC2)cn1 106462720 FRVGIYXRPXONQA-UHFFFAOYSA-N 331.782 2.463 30 40 EEEB CCC1([C@](O)(C#CCN(CCO)CCO)c2ccccc2)CCCC1 2287069 RCRWYFXYCCMUGE-NRFANRHFSA-N 345.483 2.135 30 40 EEEB Cc1cc(CN2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)on1 28743498 ABLVLDFPHCDLIM-UHFFFAOYSA-N 327.344 2.085 30 40 EEEB CNC(=O)COc1cccc(Oc2ccc(C#N)cc2[N+](=O)[O-])c1 301915483 DFYHNYZUNPLYQB-UHFFFAOYSA-N 327.296 2.384 30 40 EEEB Cc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1C 65593047 XCHADODBFYKNNY-UHFFFAOYSA-N 327.413 2.023 30 40 EEEB C#CCCN(C)CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 72284316 YMLVHWUBHGPKHV-MRXNPFEDSA-N 333.501 2.031 30 40 EEEB Cc1nc(NC(=O)[C@@H]2Cc3ccccc3O2)n(-c2ccc(C#N)cc2)n1 72292771 FFGHNSOHTLOISE-KRWDZBQOSA-N 345.362 2.390 30 40 EEEB COc1cc(Cl)ccc1CNC(=O)C(=O)Nc1cccc(C#N)c1 71886793 HJVLMADVHVAFLJ-UHFFFAOYSA-N 343.770 2.475 30 40 EEEB Cc1cccc(NC[C@H]2CCCN2CC(=O)N[C@@](C)(C#N)C(C)C)n1 71911955 WZBXUYNGIZNXLP-APWZRJJASA-N 343.475 2.321 30 40 EEEB CCOC(=O)N1CCC(N/C(N)=N/Cc2ccc(OCC)cc2)CC1 70009315 JJVHMQTVOXZCPN-UHFFFAOYSA-N 348.447 2.111 30 40 EEEB C[C@@H](NC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(C#N)cc1 517711713 QZCBTIYHKNDEDA-PBHICJAKSA-N 340.427 2.416 30 40 EEEB C=CCNC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 35311830 NVLFQAANLCKHHO-UHFFFAOYSA-N 327.365 2.229 30 40 EEEB N#Cc1ccc(CNCCC(=O)N2CCN(c3ccccc3)CC2)cc1 133723946 KEFLEVMEVFCIKJ-UHFFFAOYSA-N 348.450 2.387 30 40 EEEB N#Cc1ccnc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 195578578 WMECGKOBDSHODI-UHFFFAOYSA-N 328.275 2.168 30 40 EEEB N#Cc1ccc(S(=O)(=O)CCn2c(=O)sc3ccccc32)cc1 96450971 IIQIMENTPVMMOB-UHFFFAOYSA-N 344.417 2.409 30 40 EEEB N#Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1 538766544 WDLIKWQCKQGKBQ-BLLLJJGKSA-N 329.306 2.180 30 40 EEEB CCOc1ccc2c(c1)[C@H](NC(=O)C#C[C@@H]1CCCOC1)CCO2 1615591290 UCEPYUIGZIPJRT-WMLDXEAASA-N 329.396 2.455 30 40 EEEB Cc1ccc(C(=O)OCCn2ncc(C#N)c2N)cc1Br 80290363 CMYUODFGQXMTTH-UHFFFAOYSA-N 349.188 2.265 30 40 EEEB C/N=C1\S/C(=C/c2ccc(N3CCOCC3)cc2C)C(=O)N1C 1132409 OWKDJZWQDAGOBX-ODVGHASUSA-N 331.441 2.364 30 40 EEEB CC/N=C1\S[C@H](C(=O)Nc2ccccc2OC)CC(=O)N1CC 17952431 GZFBPKGBJPZXAM-WPCFGXOUSA-N 335.429 2.364 30 40 EEEB COC[C@H](C)/N=C1/NC(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S1 6207657 FMFYNXYKMVUXQX-QWHCGFSZSA-N 349.456 2.255 30 40 EEEB C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 58380454 VXUXLNIIKDPYBX-LEIFQPEXSA-N 335.429 2.094 30 40 EEEB C=CCNC(=O)COC(=O)c1cccnc1Nc1ccccc1F 3425540 XDTYSFCGJCFPAJ-UHFFFAOYSA-N 329.331 2.423 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N\Cc3ccco3)C2=O)cc1 408526800 GLZIJFVZHAIFHW-FNHQQPGVSA-N 325.324 2.058 30 40 EEEB CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 63346548 FCKJDVACCZOTPB-UHFFFAOYSA-N 334.328 2.221 30 40 EEEB CCOCCO[C@H](C)/C(O)=N/S(=O)(=O)c1ccccc1Cl 70003707 YOCZPARKBSKLJU-SNVBAGLBSA-N 335.809 2.427 30 40 EEEB COc1cccc([C@H](C#N)NC(=O)c2cccn3ccnc23)c1OC 69740356 VKCUHDDVTIUSFD-AWEZNQCLSA-N 336.351 2.346 30 40 EEEB CS(=O)(=O)N1CCC(CNc2cc(Cl)ccc2C#N)CC1 95398919 PBDZQOYYTSBJTC-UHFFFAOYSA-N 327.837 2.295 30 40 EEEB CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CCCC#N 95997306 RSXCPLFLBWJHKR-UHFFFAOYSA-N 334.401 2.051 30 40 EEEB N#C[C@]1(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CCSC1 75093719 UCXCCLRAZHZEHH-QGZVFWFLSA-N 325.393 2.375 30 40 EEEB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCC#N)o2)c1 22108625 ARXPRXXNURCNOW-UHFFFAOYSA-N 328.324 2.133 30 40 EEEB C/N=C(\NCC(C1CC1)C1CC1)N1CC[C@H](Cc2cnn(C)c2)C1 86543593 YFMSEPAOVYFLJQ-CQSZACIVSA-N 329.492 2.296 30 40 EEEB C=CC[C@@H](CC)NC(=O)NCc1cnc(N2CCOCC2)c(F)c1 225584058 VNDPDUSLRAIMRJ-CQSZACIVSA-N 336.411 2.211 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(CC4CCOCC4)C3)C2)n1 96047700 BQLAIDRJUWJSRV-IEBWSBKVSA-N 342.443 2.025 30 40 EEEB COc1cc(OC)cc(N2CC[C@H](C/N=C(/N)N3CCCCC3)C2)c1 89121023 XVPVXWGTSOTBSC-OAHLLOKOSA-N 346.475 2.331 30 40 EEEB NC(=S)N/N=C1\C[C@H]2c3ccccc3CCN2C2=C1C(=O)CCC2 12656683 MWNZFSXOZBMGGW-NPRIEWAGSA-N 340.452 2.186 30 40 EEEB biogenic CC(=O)N1C(=O)NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 5257563 GFVQQFLKXYPIFT-OAHLLOKOSA-N 329.312 2.215 30 40 EEEB Cc1cc(C)n(CC(=O)NCc2ccccc2Cl)c(=O)c1C#N 9327615 UAIFJLXAQUGXGM-UHFFFAOYSA-N 329.787 2.307 30 40 EEEB N#CC1(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CCCC1 32423789 PPXHMVSKVGJGDJ-UHFFFAOYSA-N 339.439 2.350 30 40 EEEB C#CCN(Cc1cccc(C)n1)C(=O)/C=C/c1ccc(C(N)=O)cc1 78986888 NJROFJDFRQKALE-FMIVXFBMSA-N 333.391 2.164 30 40 EEEB Cc1cc(=O)c(C(=O)NCC#Cc2ccccc2)nn1-c1ccccc1 55317274 YGGYKLQWPCAKEY-UHFFFAOYSA-N 343.386 2.322 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)c1cnc2ccccn2c1=O 58405687 LUWKBTOVXBNAOH-UHFFFAOYSA-N 331.375 2.279 30 40 EEEB N#Cc1cccc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 12984564 LBMSOCGOMRWQOB-KRWDZBQOSA-N 346.383 2.460 30 40 EEEB C[C@H](NC(=O)COc1ccccc1C#N)c1ccc(-n2cncn2)cc1 6541002 HGWYSLWTFKTBLU-AWEZNQCLSA-N 347.378 2.395 30 40 EEEB COCCCCN/C(=N/[C@H](C)[C@@H]1CCCO1)NCc1ccccn1 71804093 ROWWRHMVNGDMJT-WBVHZDCISA-N 334.464 2.111 30 40 EEEB C/N=C(/NCCCOC[C@H]1CCCO1)NCc1ccc(N(C)C)cc1 95959964 SNOLPNGKEPLFJG-GOSISDBHSA-N 348.491 2.003 30 40 EEEB C=CCN1C(=O)/C(=C/c2ccccc2OC(C)C)C(=O)NC1=S 223250424 VMZWAVYFTAMBPX-JLHYYAGUSA-N 330.409 2.287 30 40 EEEB CN(C)C(=O)N1CCC[C@@]2(COCCN(c3cccc(C#N)c3)C2)C1 96229006 RYWHFBQZBYLGFN-IBGZPJMESA-N 342.443 2.159 30 40 EEEB CC[C@@H](CC#N)NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)OC(C)(C)C 585135526 OOHJZWOEJNNACR-STQMWFEESA-N 341.452 2.191 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)Sc1nncn1C 64470846 GWKBMIOZIAUAFL-CQSZACIVSA-N 328.441 2.266 30 40 EEEB Cc1oc(-c2ccccc2)nc1CC1COC(C)(C(=O)NO)OC1 117356721 LMOLCPSRMRHUEJ-UHFFFAOYSA-N 332.356 2.077 30 40 EEEB in-vitro NC(=S)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 5897825 JPEJJDBFVJPFRR-GIJQJNRQSA-N 329.381 2.131 30 40 EEEB CCn1c(C)cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1C 31080650 JBIXZEGNXLEJHR-UHFFFAOYSA-N 337.427 2.354 30 40 EEEB CC(C)N(CC(N)=O)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C 31345433 ZJRCFRDIGUJXKQ-LICLKQGHSA-N 329.444 2.063 30 40 EEEB COc1ccc2[nH]cc(CCN/C(N)=N\c3nc(C)cc(C)n3)c2c1 54254424 BSWPYTAWVFUDIF-UHFFFAOYSA-N 338.415 2.362 30 40 EEEB C=CCN1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2 57531441 OFHPCLQDWOUHGB-ZDUSSCGKSA-N 337.301 2.342 30 40 EEEB C[C@H]1CO[C@H](C)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 69740779 OPNCEUDXDAQRNO-JKSUJKDBSA-N 343.427 2.349 30 40 EEEB N#Cc1csc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c1 95439891 BRMTYROVZUTDIK-LBPRGKRZSA-N 330.365 2.327 30 40 EEEB C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@H](O)c1ccc(F)cc1 95433091 WPBUBCUURJIZMB-PXAZEXFGSA-N 348.399 2.239 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(N)C#N)cc1 218505412 GSILCGDVBPSOLJ-ULQDDVLXSA-N 330.384 2.295 30 40 EEEB C=CCOc1ccccc1CN[C@H]1C[C@@H](C(=O)NCC)N(C(C)C)C1 23363275 ZXKOHBDRLOVDEY-ROUUACIJSA-N 345.487 2.328 30 40 EEEB N#Cc1cc(F)c(N2CCC(CC(=O)N3CCOCC3)CC2)c(F)c1 58225007 BVQDDDQDIFRGJP-UHFFFAOYSA-N 349.381 2.302 30 40 EEEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(O)c1 49547802 GOKXUCZNKSKSEI-MRXNPFEDSA-N 339.351 2.397 30 40 EEEB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(C#N)cc1 15402104 ARFXSVRLEFKFNU-UHFFFAOYSA-N 341.436 2.371 30 40 EEEB COC(=O)[C@H](NCC(=O)NC1(C#N)CCCCCC1)c1ccccc1 68454359 IGYNYISDQOUAJI-QGZVFWFLSA-N 343.427 2.223 30 40 EEEB C[S@@](=O)c1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1 69345308 NWZVLQPSLTXZNS-BSEYFRJRSA-N 342.424 2.232 30 40 EEEB CC(C)Cc1nnc([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)o1 71896950 OMECKCBPXXVKNR-CQSZACIVSA-N 340.431 2.418 30 40 EEEB CC/N=C(/NCc1ccccn1)NCc1ccc(OC)cc1OC 71804096 OZRHDMLWXZGBKM-UHFFFAOYSA-N 328.416 2.354 30 40 EEEB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(N)=S)c1C 33645542 FNZJTCGZGGXALP-VXLYETTFSA-N 344.440 2.438 30 40 EEEB C=CCNc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)O 217652269 XGVNWWFYYUSWBE-UHFFFAOYSA-N 326.418 2.307 30 40 EEEB Cc1nc(CN(C)CCS(=O)(=O)c2ccc(C#N)cc2)cs1 81512832 JGLKYYHDSKYHMJ-UHFFFAOYSA-N 335.454 2.229 30 40 EEEB CCN(CCC#N)C(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 97375574 RWACVPLOUCHOJY-UHFFFAOYSA-N 335.751 2.360 30 40 EEEB CNC(=O)C[C@@]1(O)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 591623150 YKHKOKCUFIEFNN-HNNXBMFYSA-N 341.333 2.044 30 40 EEEB C=CCN1CC[C@]2(CN(C(=O)c3ccc(COC)cc3)C[C@H]2C)C1=O 1614929607 PEKUIRLIAAMNEH-FOIQADDNSA-N 342.439 2.330 30 40 EEEB Cc1noc(C)c1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 31403851 MOYFPVRQQVRWQK-UHFFFAOYSA-N 328.347 2.265 30 40 EEEB C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCOCC1 32957485 MIHCKNJCFDMYGH-CYBMUJFWSA-N 344.440 2.289 30 40 EEEB CN(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 47031700 WTMFFAPSSQHUML-CQSZACIVSA-N 335.454 2.201 30 40 EEEB CCN(C(=O)Cn1c(C)cc(COC)c(C#N)c1=O)c1ccccc1 582986 YXUMBRKPFBKCGY-UHFFFAOYSA-N 339.395 2.228 30 40 EEEB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(O)c1 22123532 FTBXUMDEZMVEEK-PIGZYNQJSA-N 334.372 2.001 30 40 EEEB N#C[C@@]1(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)CCSC1 79034418 OVYMONOJBAEAFY-HNNXBMFYSA-N 336.848 2.464 30 40 EEEB C=CCN(C(=O)c1ccc(-n2cccc2)cc1)[C@H]1CCS(=O)(=O)C1 58222758 OQZKVMOHGFXWCE-KRWDZBQOSA-N 344.436 2.293 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1cc(Br)cc(OC(C)C)c1 102700096 AYBPZCWGJRNNEA-LBPRGKRZSA-N 339.189 2.305 30 40 EEEB N#Cc1ccc(CN2CCC(C(=O)Nc3ncccn3)CC2)c(F)c1 95952958 IKOUAUSGXJFIGM-UHFFFAOYSA-N 339.374 2.338 30 40 EEEB N#CC1(NC(=O)Cc2cccc(I)c2)CC1 89779418 YWENCTCTAUOKFF-UHFFFAOYSA-N 326.137 2.006 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 222351398 TTZLOJRHGLDNSU-YENYUUAQSA-N 336.391 2.472 30 40 EEEB CCn1cc(-c2ccnc(N/N=C/c3cnn(CC)c3F)n2)c(C)n1 252489962 KGGHGJXKZJTZJK-UFWORHAWSA-N 342.382 2.470 30 40 EEEB COc1ccc([C@H]2C[C@H]2C(=O)NCCNc2ncccc2C#N)cc1 69560612 NNBCTYBXRIRRMZ-IAGOWNOFSA-N 336.395 2.294 30 40 EEEB C=CCNC(=O)CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 58344181 KOUQGFMHTSNOTB-CQSZACIVSA-N 344.390 2.357 30 40 EEEB N#CC1(C(=O)N2CCCN(C(=O)C3(C#N)CCCC3)CC2)CCCC1 72297843 NCYCBMYJPQVONQ-UHFFFAOYSA-N 342.443 2.215 30 40 EEEB C=CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 96189017 OJKBNTSRWRGCJM-MRXNPFEDSA-N 341.411 2.446 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 242400260 ASDRLYUVPXOQNJ-UMVBOHGHSA-N 341.816 2.314 30 40 EEEB CCO[C@H]1C[C@@H](O)C12CCN(c1nc3ncccc3cc1C#N)CC2 596143673 GIZQVQPTKNPTRT-CVEARBPZSA-N 338.411 2.258 30 40 EEEB COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)CC1=O 1280593 INYYVPJSBIVGPH-NQCMUKECSA-N 329.396 2.018 30 40 EEEB biogenic,in-vitro COC(=O)[C@@H]1C(=O)/C(=C\Nc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C 100737539 TWUFVOIVSIRBNQ-UQTJOTSZSA-N 346.339 2.248 30 40 EEEB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2C#N)C1 78341833 JOWPFQBOMIEUKX-GRYCIOLGSA-N 343.456 2.392 30 40 EEEB COC/C(O)=N/c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 1279625 MOVOJKLYPOBHAC-JTQLQIEISA-N 335.751 2.098 30 40 EEEB Cc1cc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)on1 106826472 FJXVAOSUSAURFH-NVXWUHKLSA-N 327.384 2.432 30 40 EEEB Cc1noc(C)c1CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 26016688 MDBLLLYSJDEAPL-UHFFFAOYSA-N 342.374 2.194 30 40 EEEB CN(C(=O)CN1CCC(c2cc[nH]n2)CC1)C1(C#N)CCCCC1 58227073 GYYVFFDSBGDPDX-UHFFFAOYSA-N 329.448 2.274 30 40 EEEB N#Cc1ccc(N2CCC(C(=O)NCc3ccc(O)cc3)CC2)nc1 44907102 WAZIHBCEOMWSTM-UHFFFAOYSA-N 336.395 2.192 30 40 EEEB Cc1nc(NC(=O)CNC(=O)c2ccoc2)sc1SCC#N 48363700 OGHSIJPRSDOEGP-UHFFFAOYSA-N 336.398 2.029 30 40 EEEB N#Cc1ccc(OCCN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1 8752440 RVDSBEPBGDXILJ-KRWDZBQOSA-N 335.363 2.100 30 40 EEEB CN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)C(=O)N(C)C1=O 409022693 PMUPEYYDZVFXGP-UHFFFAOYSA-N 335.319 2.252 30 40 EEEB Cc1ccc(-n2nc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc2C)cc1 132068907 DLMDIXFZKJVYHC-ZDUSSCGKSA-N 339.399 2.188 30 40 EEEB Cc1c(C(=O)NC2CCN(CC3CCCC3)CC2)cnn1CCC#N 585128604 HHUMMSFXRGBJFK-UHFFFAOYSA-N 343.475 2.490 30 40 EEEB O=C(O)C[C@@H]1S/C(=N\N=C\c2c(Cl)cccc2Cl)NC1=O 5749278 AFVPZSNVBOVOOC-XDDINVHESA-N 346.195 2.390 30 40 EEEB COc1ccc(/C=C2\CN(c3ccc(C(=O)O)cc3)C(=O)C2=O)cc1 1725292 JVGHCDFCVAOAHR-GXDHUFHOSA-N 337.331 2.393 30 40 EEEB COc1ccc(OC)c(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c1 2742582 KQOJFTRDHPLRGM-VCHYOVAHSA-N 340.387 2.288 30 40 EEEB CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2[C@@H]2O[C@H](c3ccccc3)OC[C@@H]21 257157321 QQJPAXYKZQBUAX-ARKGTOAJSA-N 333.384 2.487 30 40 EEEB in-vitro COC(=O)c1cc2c(nc1C)CCN(C(=O)C1(C#N)CCCC1)CC2 1565551180 KJKZCIRHAMQVNV-UHFFFAOYSA-N 341.411 2.188 30 40 EEEB CN(C)c1cc[n+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 4893574 YICVNAFBEBAXFG-UHFFFAOYSA-O 335.771 2.240 30 40 EEEB COC(=O)c1cc(NCC(=O)NC2(C#N)CCCCC2)ccc1F 23903095 QRFCKPDIRPYNIW-UHFFFAOYSA-N 333.363 2.367 30 40 EEEB COc1ccc(CN2C(=O)C(=O)N(Cc3ccccc3C#N)C2=O)cc1 44978316 WGFSAICHGSHFMQ-UHFFFAOYSA-N 349.346 2.058 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccc(O)c1 104201288 CFHRCFLSTLMAMJ-DPEHCCBOSA-N 343.335 2.053 30 40 EEEB CC[C@@H](C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 65586648 PHQNGOSOLATZCW-MRVPVSSYSA-N 334.319 2.428 30 40 EEEB CN(CCC#N)C(=O)c1ccc(I)c(F)c1 69842561 ICJWYCANCDCETO-UHFFFAOYSA-N 332.116 2.416 30 40 EEEB CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(C#N)cc1 18263289 DKQAGXQMGXFRCE-UHFFFAOYSA-N 330.365 2.287 30 40 EEEB CC1CCN(CC(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)CC1 95966534 DODRUCPKSABMSH-GOSISDBHSA-N 337.427 2.285 30 40 EEEB C[C@H](NC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(C#N)cc1 517711719 QZCBTIYHKNDEDA-YOEHRIQHSA-N 340.427 2.416 30 40 EEEB N#Cc1c(F)cccc1N1CCN(C(=O)c2cccnc2S)CC1 31400644 GUKAPBUQRIYTJS-UHFFFAOYSA-N 342.399 2.343 30 40 EEEB CS(=O)(=O)c1cccc(OCC(=O)Nc2ccc(CC#N)cc2)c1 47364116 UOJSBMOSBHKAHT-UHFFFAOYSA-N 344.392 2.174 30 40 EEEB CC[C@H](C(=O)Nc1nc2cc(C#N)ccc2n1CC)N1CCCC1=O 96487350 FIBBNSFZMYYPPB-CQSZACIVSA-N 339.399 2.267 30 40 EEEB CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)c2ccccc2C1 95463661 IGSYPVXHSDZZQY-UHFFFAOYSA-N 341.436 2.340 30 40 EEEB C#CCCC1(CCC(=O)NCc2ccc(Cl)c(C(=O)O)n2)N=N1 1616032996 YQTPUBWJMAOKOH-UHFFFAOYSA-N 334.763 2.405 30 40 EEEB N#Cc1ccc(Cl)cc1NCCCCN1CCN(CCO)CC1 72290389 FCXJMQARIPJKDE-UHFFFAOYSA-N 336.867 2.014 30 40 EEEB N#Cc1ccc(N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)nc1 1889091550 ATFNQUXXQQGAPM-UHFFFAOYSA-N 347.300 2.220 30 40 EEEB Cc1nn(CC(=O)N[C@@H](c2cccs2)C(C)C)c(=O)c(C#N)c1C 12887844 JOJMUWBVHZLRGB-MRXNPFEDSA-N 344.440 2.307 30 40 EEEB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)Nc1sccc1C#N 69621398 HVHFEDQVZHCUHN-CABCVRRESA-N 346.456 2.034 30 40 EEEB C#CCN1CCC(C(=O)NCCc2nc(C(C)(C)C)cs2)CC1 69811072 MTLHVTBNNDAKLO-UHFFFAOYSA-N 333.501 2.445 30 40 EEEB COc1ccc(/C(CN2CCN(C(=O)OC(C)(C)C)CC2)=N/O)cc1 22113550 WJIZHULBSSWCEO-KNTRCKAVSA-N 349.431 2.426 30 40 EEEB N#CCCN(CCC#N)C(=O)Cn1ncnc1-c1ccccc1Cl 78875537 QZIWYCJNVKABFQ-UHFFFAOYSA-N 342.790 2.254 30 40 EEEB COCCN(C)c1ccc(/C=C/C(=O)c2ncc(C(=O)O)s2)cn1 585136070 OWZGGPZLAPPEPG-HWKANZROSA-N 347.396 2.215 30 40 EEEB C=CCN1C(=O)[C@H](CC)S/C1=N/S(=O)(=O)c1ccc(F)cc1 4537970 FICWTXPVIZUBPT-ZLUHGAPXSA-N 342.417 2.410 30 40 EEEB N#Cc1ccccc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 11988636 VPHLBAATSBQUFZ-UHFFFAOYSA-N 337.354 2.484 30 40 EEEB COc1ccc(OC)c2c1CN(c1nnc(C)c(C)c1C#N)C[C@@H]2O 24054946 RXHKRYSQOZFVQA-AWEZNQCLSA-N 340.383 2.036 30 40 EEEB Cc1nn(CC(=O)N[C@H](c2cccs2)C(C)C)c(=O)c(C#N)c1C 12887850 JOJMUWBVHZLRGB-INIZCTEOSA-N 344.440 2.307 30 40 EEEB CC(C)c1nnc2n1C[C@@H](NC(=O)CCc1ccc(C#N)cc1)CC2 65512285 DCSDGXOXMBTZCT-INIZCTEOSA-N 337.427 2.337 30 40 EEEB Cc1ccc(CNC(=O)N2CCN(c3ccccc3C#N)CC2)cn1 69654643 LDRVJVMXMHINGU-UHFFFAOYSA-N 335.411 2.294 30 40 EEEB N/C(=N\Cc1ccc(OCc2ccccn2)cc1)NC[C@H]1CCCO1 72280353 UITBXGKFOCMOFU-GOSISDBHSA-N 340.427 2.244 30 40 EEEB COc1ccc(CN/C(N)=N/C[C@H](C)CN2CCCCC2)cc1OC 75583775 RMRVQNCLNDQHDL-HNNXBMFYSA-N 348.491 2.230 30 40 EEEB CCc1nnc(S)n1/N=C/c1ccc(O)c(Br)c1 408871577 ZAXSESMTYSTJJG-AWNIVKPZSA-N 327.207 2.480 30 40 EEEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)ccc1OCC#N 30813983 URNDLTHTKODDFL-NVMNQCDNSA-N 327.300 2.347 30 40 EEEB CCCc1[nH]ncc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 128955317 LJSLKXJILMVNID-UHFFFAOYSA-N 341.390 2.335 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(N)C#N)cc1 242718315 XJJIRDXQLFLKQA-BRWVUGGUSA-N 330.384 2.295 30 40 EEEB N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(C(F)F)cc1 601742031 OYULUCRQRZBBTO-UHFFFAOYSA-N 347.325 2.308 30 40 EEEB N#CCc1cccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c1 619471065 ONNBRGYVTTVTFH-UHFFFAOYSA-N 344.392 2.028 30 40 EEEB Cc1nc(C2CC2)nc(N2CCN(c3ccc(C#N)cn3)CC2)c1F 1888853872 NBGGGVWVXZEFMH-UHFFFAOYSA-N 338.390 2.395 30 40 EEEB Cc1ccc(NC(=O)c2nnc(Cn3cnc(C#N)c3C#N)s2)cc1 97146222 NCWDLBXATZEVOI-UHFFFAOYSA-N 349.379 2.087 30 40 EEEB COCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 3088900 QYQDUTFBWMWGNF-HNNXBMFYSA-N 343.379 2.167 30 40 EEEB C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)Oc2ccccc2C#N)c1 58201866 KGWWGSGSAFZPCW-CQSZACIVSA-N 347.374 2.062 30 40 EEEB Cc1cc([C@H]2CCCN(CC(=O)NC3(C#N)CCCCC3)C2)n[nH]1 84110927 KTZJQRNXADOMFF-HNNXBMFYSA-N 329.448 2.240 30 40 EEEB C[C@@H]1C[C@@H](C)CN(C(=O)COCC(=O)Nc2ccc(C#N)cc2)C1 4700045 QGSPEJVOEZIIFE-ZIAGYGMSSA-N 329.400 2.018 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(\O)COCC(F)(F)F)cc1C 66887289 SUHKAIICTQOHDZ-UHFFFAOYSA-N 341.307 2.228 30 40 EEEB O=C(O)c1cc(C(=O)NCC#Cc2ccccc2)n(-c2ccccc2)n1 97017620 ZKQOOCCUKUXKCQ-UHFFFAOYSA-N 345.358 2.352 30 40 EEEB COc1cc([C@H](C#N)NC(=O)c2ccncc2)cc(OC)c1OC 67701468 NDRGBBSFRLCFDM-ZDUSSCGKSA-N 327.340 2.102 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(NC2CC2)s1 7577532 MDOHXJXYXFWMSG-CYBMUJFWSA-N 325.463 2.259 30 40 EEEB C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NC1(C#N)CCCCC1 69618108 YACRSNFBJGWLBP-LLVKDONJSA-N 328.372 2.264 30 40 EEEB CS(=O)(=O)c1ccc(C#N)cc1NC(=O)COc1ccc(F)cc1 69812013 TUBDLYRPFDWYKE-UHFFFAOYSA-N 348.355 2.118 30 40 EEEB C/N=C(/NC[C@H]1CCN(C)C1)N(C)Cc1c(F)cccc1Cl 73772774 CHUHAAVGEWFYLN-GFCCVEGCSA-N 326.847 2.438 30 40 EEEB N#Cc1ccc(OCCNC(=O)N2CCC(N3CCCC3)CC2)cc1 74736801 YNJFVYVPFUEASU-UHFFFAOYSA-N 342.443 2.207 30 40 EEEB C#CCOc1ccc(CCNC(=O)c2cccc(-n3cncn3)c2)cc1 89261860 BQPBOGIDASQDDA-UHFFFAOYSA-N 346.390 2.252 30 40 EEEB COC(=O)C[C@@H](NC(=O)CC#N)c1cccc(Br)c1 97377892 FNMNMLFGPWOTJC-LLVKDONJSA-N 325.162 2.083 30 40 EEEB CO[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1c1cnn[nH]1 591629287 JMJPBHKVQQAQFT-SMDDNHRTSA-N 337.305 2.314 30 40 EEEB C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)N(C)CC3)c1 97108851 WKZVUNVZQTXJCU-UHFFFAOYSA-N 347.418 2.053 30 40 EEEB CCn1cc([C@H]2OCC[C@@H]2CNCc2cc(C#N)n(C)c2C)cn1 83843486 PSYDBKHBZJVLIU-KDOFPFPSSA-N 327.432 2.289 30 40 EEEB O=c1[nH]c(O)c(/C=N/c2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 100967378 SJHIXWFYNPTBNW-AWQFTUOYSA-N 343.289 2.260 30 40 EEEB COc1cccc(/C=C/C(=O)[C@H](C#N)C(=O)N2CCCC2)c1OC 103502711 MAGAWHARMBZCAR-VFNNOXKTSA-N 328.368 2.048 30 40 EEEB CCOc1ccc(C(=O)[C@H](C#N)C(=O)N2CCCC2)cc1OCC 103502679 NUGGCKIOMJGKLM-AWEZNQCLSA-N 330.384 2.429 30 40 EEEB Cc1cc(=O)[nH]c(SCC(=O)NCc2ccc(F)cc2)c1C#N 24775479 YAFFNIUKUQBLQS-UHFFFAOYSA-N 331.372 2.103 30 40 EEEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 101305846 TZHILZQQHPRLHL-PUSDIMDNSA-N 338.454 2.006 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)c1ccc2c(c1)NC(=O)CO2 57475531 VIBNYRQPSWKLPL-UHFFFAOYSA-N 338.319 2.159 30 40 EEEB C#Cc1cccc(NC(=O)CNC(=O)/C=C/c2csc(C)n2)c1 58201995 JHFBALCGSAAXKF-BQYQJAHWSA-N 325.393 2.201 30 40 EEEB C=CCNC(=O)CSc1nnnn1-c1cccc2ccccc12 5016343 FJMRJCXXHFJULB-UHFFFAOYSA-N 325.397 2.210 30 40 EEEB CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2OC)C(=O)N1CC 4681920 XWRWKEZCPQIANA-WPCFGXOUSA-N 335.429 2.364 30 40 EEEB CCOC(=O)c1cc(C#N)c(SCC(=O)NC(C)(C)C)nc1C 7149491 MNHOSSOULYKEOD-UHFFFAOYSA-N 335.429 2.445 30 40 EEEB N#Cc1ccc(N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)nc1 96004969 ROCKDCSNMWZFKG-INIZCTEOSA-N 342.424 2.364 30 40 EEEB O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1ccccn1 16956072 SQEALKIOWACUMB-CXUHLZMHSA-N 326.341 2.419 30 40 EEEB Cc1cccc(N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 91554401 MRDUYIRPIVNWOJ-SFHVURJKSA-N 328.460 2.124 30 40 EEEB C#CCOc1ccccc1CN(C)c1cc(-n2nc(C)cc2N)ncn1 95414920 JYLZQRSSXIBHSO-UHFFFAOYSA-N 348.410 2.201 30 40 EEEB C/N=C(\NCc1ccon1)NC[C@@H]1CCCN1CCc1ccccc1 95974951 JMNHYXFXVFPSGP-SFHVURJKSA-N 341.459 2.047 30 40 EEEB N#Cc1ccc(NCc2ccc(CN3CCS(=O)CC3)cc2)nc1 521398555 NZKLQJKEOLKPDA-UHFFFAOYSA-N 340.452 2.130 30 40 EEEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cnccn1 85474064 QNFWCYMDLGVANP-UHFFFAOYSA-N 335.285 2.308 30 40 EEEB CS(=O)(=O)Nc1cc(NC(=O)C2(C#N)CCCC2)ccc1F 24462473 GWWSBJMUGYNMLY-UHFFFAOYSA-N 325.365 2.220 30 40 EEEB N#Cc1ccccc1OC[C@H](O)CNC[C@H](CCO)c1ccccc1 600741272 DEGQZCJNIJARHU-RBUKOAKNSA-N 340.423 2.054 30 40 EEEB COc1cccc(NC(=O)NCC#CCN2CCCCC2)c1OC 75164793 SCLATJQMUNEGCI-UHFFFAOYSA-N 331.416 2.315 30 40 EEEB CCC[C@H](C#N)NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 103469600 PNZQUXPOWDYSRU-LLVKDONJSA-N 330.413 2.127 30 40 EEEB CO/N=C(\C(=O)O)c1csc(NC(=O)/C=C/c2ccccn2)c1 97162 OSJLDUOFYVSILR-PXLGQBCESA-N 331.353 2.230 30 40 EEEB COc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1O 2654272 KYTPGDPSXGTDAU-LICLKQGHSA-N 334.397 2.330 30 40 EEEB C=CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C 3205637 XNPPIYOLPTVZFL-CQSZACIVSA-N 331.328 2.294 30 40 EEEB N#Cc1cccnc1N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 585612609 MGEFZXWOYNCDEY-HZPDHXFCSA-N 332.411 2.193 30 40 EEEB CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 550624 PYADEZJCZPNOMB-ZDUSSCGKSA-N 340.383 2.025 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)CN3CCOC[C@H]3C)c2C#N)C1 106053953 BVUVBEGZQGRPAK-NWDGAFQWSA-N 333.457 2.404 30 40 EEEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3nccs3)c2)c1 3344436 XCASBGIHYYIBJR-UHFFFAOYSA-N 337.360 2.411 30 40 EEEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(Cc4ccccc4)c3nc12 5152694 HDXJHBNRYFUHOU-UHFFFAOYSA-N 342.358 2.238 30 40 EEEB CCCN1CCC(CNS(=O)(=O)Cc2cccc(C#N)c2)CC1 69978300 LPLWKKPZNWVMOT-UHFFFAOYSA-N 335.473 2.100 30 40 EEEB CC(=O)N1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 97048624 AFBPDUQIWUWNOC-UHFFFAOYSA-N 337.427 2.013 30 40 EEEB Cc1cc(NC(=O)c2cc(C#N)c[nH]2)ccc1NC(=O)Cn1cccn1 95407084 YZEFORLRCCPHGC-UHFFFAOYSA-N 348.366 2.282 30 40 EEEB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 409411853 MGRSPUUGALDLNK-UHFFFAOYSA-N 340.339 2.192 30 40 EEEB CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1cccc(C#N)c1 32936847 OFEFWZUGXRYEBS-UHFFFAOYSA-N 349.456 2.018 30 40 EEEB COc1cc(Br)c(C/N=C(/N)N(C)C2CC2)cc1OC 195559341 NZXSUXKXFFTZHH-UHFFFAOYSA-N 342.237 2.375 30 40 EEEB Cn1ccnc1[C@@H]1OCC[C@H]1CNc1c(C#N)nnc2ccccc12 596506328 YINWDWAMEXGNPN-YVEFUNNKSA-N 334.383 2.425 30 40 EEEB C=CCNC(=O)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 5507890 VWJBYOGQNWFPEU-UHFFFAOYSA-N 338.363 2.308 30 40 EEEB C=CCN1CCC[C@@]2(CC1)CN(C(=O)COC)Cc1ccccc1O2 12365581 OAJDJGOHFPOEMT-HXUWFJFHSA-N 344.455 2.465 30 40 EEEB N#C/C(=N/Nc1ccc(Br)cc1)C(=N)N1CCOCC1 13118410 RZHVRHKZJWVBON-VLAVLTJUSA-N 336.193 2.050 30 40 EEEB C=CCc1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@@H](C)C2)c(OC)c1 19772722 KDUGLTZTMQVDGV-ZOBUZTSGSA-N 335.444 2.273 30 40 EEEB CC/N=C1/S[C@@H](C(=O)Nc2ccccc2OC)CC(=O)N1CC 100105503 GZFBPKGBJPZXAM-PHODEOQFSA-N 335.429 2.364 30 40 EEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1OC 100237127 HGNLXMZZPNMQLU-HFIMFFCGSA-N 340.379 2.235 30 40 EEEB COc1cccc(O[C@@H](C)c2ccnc3nc(/N=C/N(C)C)nn23)c1 100912177 NMLNEGBYAUUKFJ-MKFNJMOCSA-N 340.387 2.494 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)COc1cccc(N2CCCC2=O)c1 32859967 PJRWATXBRMYCLM-GOSISDBHSA-N 329.400 2.247 30 40 EEEB C=CCN(CCc1ccccc1)C(=O)CSc1nnnn1C1CC1 58282398 DTRSNFXRXIXJOC-UHFFFAOYSA-N 343.456 2.357 30 40 EEEB C#Cc1cccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)c1 48278805 WFUVMAZNMMIAKK-UHFFFAOYSA-N 325.343 2.245 30 40 EEEB C[C@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1ccccc1 64099343 XBSISYFNGMQLDL-STQMWFEESA-N 327.402 2.306 30 40 EEEB COC(=O)c1ccc([C@H]2NC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 5783082 FEFTUAOLZHNWSJ-OAHLLOKOSA-N 328.368 2.470 30 40 EEEB C#Cc1cccc(N(CC(=O)NC[C@@H]2CCOC2)Cc2ccco2)c1 69569833 YPRRNKXTOVAOLG-KRWDZBQOSA-N 338.407 2.420 30 40 EEEB Cc1cnn(CCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 72281073 ZBJKOUMLIBJYEQ-UHFFFAOYSA-N 340.383 2.300 30 40 EEEB CC/N=C(/NCCCOC)NCCc1cnn(-c2ccccc2)c1 95350538 CFUKXKDPWJZBFE-UHFFFAOYSA-N 329.448 2.006 30 40 EEEB C/N=C(/NCCc1ncc(C)s1)NCc1ccc2c(c1)OCCO2 95964026 ZJWICBBSQONGDK-UHFFFAOYSA-N 346.456 2.130 30 40 EEEB N#Cc1cccnc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1 29585820 SDQNLCJXHWZGMS-UHFFFAOYSA-N 346.394 2.325 30 40 EEEB CS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)C1CCCCC1 226040669 ZNAZATSDLRLOER-UHFFFAOYSA-N 335.429 2.091 30 40 EEEB CC(=O)Nc1ccc(C/C(N)=N/OC(=O)c2ccccc2F)cc1 226102666 HHCXMGKOPYYNFH-UHFFFAOYSA-N 329.331 2.456 30 40 EEEB CN1[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]2C[C@@H]1Cn1cccn1 96064418 KRXAPZHBFLJRQU-AQNXPRMDSA-N 335.455 2.350 30 40 EEEB N#Cc1cc(F)ccc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 96429115 ZSKSJIVBSXDLSL-SFHVURJKSA-N 338.386 2.046 30 40 EEEB C=C(Br)CN(C)CC(=O)Nc1cc(OC)cc(OC)c1 96483387 ABSHGODBODCTHO-UHFFFAOYSA-N 343.221 2.483 30 40 EEEB Cc1ncsc1CCN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 96449286 OYSBTGZDEQJWOV-KRWDZBQOSA-N 340.408 2.333 30 40 EEEB N#Cc1cccc(N2CCC[C@@]3(CN(Cc4ccncc4)CCO3)C2)n1 96074798 RNHCMBJPTLSXLF-HXUWFJFHSA-N 349.438 2.220 30 40 EEEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)SC1=S 1167927 ROMIAJWCNVEQOE-UKTHLTGXSA-N 345.449 2.264 30 40 EEEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)C4CC4)C3)C2)c1 1142677489 YQIGQMVTSDBJMP-HXUWFJFHSA-N 339.439 2.414 30 40 EEEB N#Cc1cccc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c1 22899666 XCKSQDUIYWCQTB-UHFFFAOYSA-N 337.364 2.361 30 40 EEEB CC(C)CO[C@H](C)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 55301149 MBZKTNZQJAZPSU-GFCCVEGCSA-N 327.388 2.326 30 40 EEEB COC(=O)c1cccc(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)n1 48531553 OZNMUZAHMANHGT-ZHACJKMWSA-N 346.364 2.174 30 40 EEEB C#CCN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 96000196 VPXHXRJRLTYTJM-HNNXBMFYSA-N 338.411 2.483 30 40 EEEB N#CCCCOc1cccnc1NS(=O)(=O)c1cncc(F)c1 69677613 QTYUHQLEBUDZEG-UHFFFAOYSA-N 336.348 2.099 30 40 EEEB COc1cnc(O[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)nc1 1140140222 XFMWDXCGYYABQN-AWEZNQCLSA-N 328.347 2.149 30 40 EEEB CN1CCN(c2c(N)cc(C#N)n2Cc2ccccc2Cl)CC1 225869278 YJZFIZVUQIPERU-UHFFFAOYSA-N 329.835 2.395 30 40 EEEB C=CCOC[C@H]1c2nnn(C)c2CCN1Cc1ccc(OC)cc1 96060502 SMEABAFPJAXQLL-KRWDZBQOSA-N 328.416 2.126 30 40 EEEB N#Cc1cc(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)c[nH]1 97233616 WTQWPQUAFCBVLN-UHFFFAOYSA-N 337.383 2.444 30 40 EEEB Cc1ccc2nc(C3=C(N)N(CCCOC(C)C)CC3=O)[nH]c2c1 15859751 VIIXDUCHHGKGRA-UHFFFAOYSA-N 328.416 2.198 30 40 EEEB N#Cc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 22748900 RUSQTJIMFLVQLK-LJQANCHMSA-N 335.407 2.362 30 40 EEEB C[C@H](O)CNc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1 12525329 OPFYWJKUFAIKQQ-ZDUSSCGKSA-N 349.394 2.339 30 40 EEEB Cc1ccc2ncc(C(=O)OCc3cc(C#N)ccc3F)c(=O)n2c1 27714434 SKJXVKFOKFTMRK-UHFFFAOYSA-N 337.310 2.371 30 40 EEEB N#Cc1cc(F)c(N2CCN(C(=O)c3cccnc3)CC2)c(F)c1 58308237 YJQHMPAVGFBVBE-UHFFFAOYSA-N 328.322 2.194 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Nc1ccccc1N1CCCC1=O 28809937 DZAIZLHESWEEBQ-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB COC(=O)N1CCC[C@H](/C(O)=N/S(=O)(=O)c2ccc(C)s2)C1 69921028 FHCKMLRHXMPVHW-JTQLQIEISA-N 346.430 2.180 30 40 EEEB C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 69919240 CBINKPZYOPYBJK-UHFFFAOYSA-N 328.393 2.171 30 40 EEEB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 65523154 FKHVHEPZNMAROE-CYBMUJFWSA-N 349.456 2.282 30 40 EEEB C#CCN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 65611384 PSGYREXLHWKUMK-UHFFFAOYSA-N 334.353 2.320 30 40 EEEB C[C@H](NS(=O)(=O)CCCC#N)c1ccc(-c2cncnc2)cc1 74974936 WPVSLWSAAXRILY-ZDUSSCGKSA-N 330.413 2.428 30 40 EEEB N#Cc1cccc(CSc2nc3cc(F)ccc3c(=O)n2N)c1 71327736 KRGUMNFSILLGMD-UHFFFAOYSA-N 326.356 2.413 30 40 EEEB C=CCN1C(=O)CCC[C@]12CCCN(S(=O)(=O)c1ccccc1)C2 96229961 CWASUPONNYHEBQ-GOSISDBHSA-N 348.468 2.408 30 40 EEEB Cc1oc(NC(=O)CN2CCO[C@H](c3nccs3)C2)c(C#N)c1C 97199807 LQXQMZJNYVKARZ-ZDUSSCGKSA-N 346.412 2.237 30 40 EEEB N#Cc1nc(N2CCC(NC(=O)c3cccnc3)CC2)ccc1Cl 96453645 GJOOWXUCEOXTDE-UHFFFAOYSA-N 341.802 2.400 30 40 EEEB C=CCn1ncc2c(O)nc(N3CCC[C@@H](n4ccnc4C)C3)nc21 1615612176 BRBADKJQNJXMFA-CYBMUJFWSA-N 339.403 2.064 30 40 EEEB COCCN1CCC[C@H]1C/N=C(/N)Nc1ccc(F)c(Cl)c1 71847276 VZYMDNMAAHDMGZ-LBPRGKRZSA-N 328.819 2.317 30 40 EEEB N#C[C@@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@H]1c1cccnc1 14163306 CZFZGYPEGBEBIU-KBPBESRZSA-N 331.335 2.197 30 40 EEEB N#Cc1cccc(OCC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 40553263 KEKKYZJULYCWIC-QGZVFWFLSA-N 339.395 2.483 30 40 EEEB C#CCNC(=O)[C@H](C)N1CCC(C(=O)c2ccc(C)cc2C)CC1 32825562 RCZJQXWHWOVBEF-INIZCTEOSA-N 326.440 2.336 30 40 EEEB CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 58201635 WJPPUSZXJJLBAN-JTQLQIEISA-N 330.356 2.305 30 40 EEEB CCN(CC(=O)N(CCC#N)CCC#N)Cc1c(F)cccc1F 58322916 IFEIHGAYNHFNEJ-UHFFFAOYSA-N 334.370 2.443 30 40 EEEB Cc1nc(/C(O)=N/S(=O)(=O)c2ccc(F)c(C#N)c2)cs1 66736562 SCEJDELRUHOEBM-UHFFFAOYSA-N 325.346 2.156 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](N2CCCC2)C1 69420902 JYXVSKWVWZIVFT-RDJZCZTQSA-N 327.428 2.412 30 40 EEEB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 71841379 MBCRZUFOIYOMCH-ZWKOTPCHSA-N 349.438 2.134 30 40 EEEB CN1CCC(N(C)CCN(C)C(=O)/C=C/c2cccc(C#N)c2)CC1 71904002 NPQIBJZWYHUFKF-BQYQJAHWSA-N 340.471 2.056 30 40 EEEB COC[C@H](C#N)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 95987092 RENCYUNHGNMIHW-LBPRGKRZSA-N 329.404 2.404 30 40 EEEB Cc1ccccc1-c1cc(NC(=O)C(=O)N(C)[C@H](C)CC#N)n(C)n1 132311812 XIGNAPDTVWKPFL-CYBMUJFWSA-N 339.399 2.095 30 40 EEEB O=C1/C(=N\Nc2ccccn2)c2cc(F)ccc2N1C1CSC1 223754926 BMLNIYSKGYBZSA-HKWRFOASSA-N 328.372 2.499 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(F)(F)F 83536991 GVZOWOJVAQTJAM-JTQLQIEISA-N 334.319 2.034 30 40 EEEB CC(C)c1n[nH]c(/N=C(\O)Cn2cc(-c3ccccc3)ncc2=O)n1 95477587 ULNMTJFLQBJCCY-UHFFFAOYSA-N 338.371 2.440 30 40 EEEB CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc21 96428763 RJDFOXGHQUXXLD-UHFFFAOYSA-N 331.372 2.342 30 40 EEEB N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1C(F)(F)F 96483448 FKWYEBYDXXFEQZ-STQMWFEESA-N 348.346 2.159 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2)c1 96407040 VZUBFJYBISRSSD-GOSISDBHSA-N 347.418 2.392 30 40 EEEB N#Cc1ncc(N2CC3(C[C@H](Oc4ncccc4F)CS3)C2)cn1 247716246 NTXZXTDSRMWUPC-LBPRGKRZSA-N 343.387 2.026 30 40 EEEB CS[C@@H]1CS(=O)(=O)C/C1=N/OC(=O)Nc1ccc(C)cc1 12954855 HHWPVVWLRXJSOL-QJMZJAKPSA-N 328.415 2.060 30 40 EEEB CCc1ncnc(N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)c1F 1888853670 JVXMIQQCTLHHMI-OKILXGFUSA-N 338.390 2.017 30 40 EEEB COC(=O)c1ccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)o1 72282623 DZQFQBGIRMOPQM-VQHVLOKHSA-N 349.364 2.334 30 40 EEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 19582808 AAPWTUIOZKCYEL-MRXNPFEDSA-N 340.379 2.420 30 40 EEEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 69618509 BIGCAJZLSNDCPJ-KRWDZBQOSA-N 349.390 2.438 30 40 EEEB Cc1cc(CN(CC(C)C)S(=O)(=O)c2ccc(C#N)cc2)nn1C 95442518 ZNKWEFSZJAWZIG-UHFFFAOYSA-N 346.456 2.447 30 40 EEEB C[C@@H](NC(=O)CNc1ccc(Cl)c(C#N)c1)C(=O)N1CCCCC1 95417934 XKAGQJVQFQHYCN-GFCCVEGCSA-N 348.834 2.141 30 40 EEEB CCn1nccc1/C=C/C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1 95435262 AJZXMSBFWWGWBR-BQYQJAHWSA-N 347.382 2.194 30 40 EEEB CCN(CC)S(=O)(=O)/N=C(\O)c1cc(C)n(-c2ccccc2)n1 78984738 QUTLWWGQSQQBCH-UHFFFAOYSA-N 336.417 2.072 30 40 EEEB CO[C@@](C)(/C(O)=N/S(=O)(=O)C[C@@H]1CCCCO1)c1ccccc1 78611971 UCMGLQNRBCPZGL-GOEBONIOSA-N 341.429 2.404 30 40 EEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225636772 QZSAYYAREXRYAD-KURKYZTESA-N 343.404 2.137 30 40 EEEB Cc1ncc(CN2CC[C@H](Nc3nccnc3C#N)[C@H](C)C2)s1 96419452 BOWLQIKOJRTRTF-RISCZKNCSA-N 328.445 2.436 30 40 EEEB CCOc1ccc2c(c1)[C@@H](NC(=O)C#C[C@@H]1CCCOC1)CCO2 1615591292 UCEPYUIGZIPJRT-YOEHRIQHSA-N 329.396 2.455 30 40 EEEB CS(=O)(=O)N1CCC(CNc2c(Cl)cccc2C#N)CC1 89484474 MXOUOFAYVAJKJP-UHFFFAOYSA-N 327.837 2.295 30 40 EEEB COc1cc(C(=O)[C@H](C#N)C(=O)N2CCCC2)ccc1OC(F)F 103502738 DCHJYNLQIIXBAL-NSHDSACASA-N 338.310 2.241 30 40 EEEB N#Cc1cccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1 3592859 FDEZTNBYOYYONB-UHFFFAOYSA-N 340.383 2.142 30 40 EEEB N#Cc1cc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)ccn1 2086881851 NAEQSXFJOPNKRS-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(Cc2cc(-c3ccccc3)on2)c1 32902168 OAHURJUVCJITGN-UHFFFAOYSA-N 335.319 2.210 30 40 EEEB CC(=O)Nc1cccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 19820077 DLDPVBZKGOIWRI-UHFFFAOYSA-N 347.378 2.238 30 40 EEEB C=CCN(CC=C)C(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O 7975527 BBCHHILTNWEFJF-UHFFFAOYSA-N 333.432 2.078 30 40 EEEB COc1cc(/C=N/N2CC(=O)NC2=O)ccc1OCc1ccccc1 8216712 RPXSNFXHTSIEAY-VXLYETTFSA-N 339.351 2.160 30 40 EEEB COc1cccc(C#CCOC(=O)c2cc(C)nc3c2cnn3C)c1 97039091 PSLSXXDVTUCDKK-UHFFFAOYSA-N 335.363 2.494 30 40 EEEB C[C@H]1[C@@H](C)OCCN1C(=O)NC1CCN(c2ccc(C#N)cc2)CC1 95424457 IHCNDCWFHPCXNN-LSDHHAIUSA-N 342.443 2.346 30 40 EEEB C[C@H](/N=C(/NCCCn1cccn1)NCc1ccco1)[C@H]1CCCO1 95948109 RHQKUJRMNMXLNP-DOTOQJQBSA-N 345.447 2.169 30 40 EEEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218400302 KZDUVAMHEDGNLN-KZNAEPCWSA-N 326.421 2.464 30 40 EEEB N#Cc1cccc(N2C[C@]3(CCN(C(=O)c4cccnc4)C3)CC2=O)c1 96238890 GANBHAYSNBQJPY-HXUWFJFHSA-N 346.390 2.222 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)C4CC=CC4)C3)CC2=O)cc1 96238870 UICLTOCHMZUERD-HXUWFJFHSA-N 335.407 2.480 30 40 EEEB C=C1CCN(c2cccc(S(=O)(=O)N3CCC[C@@H]4C[C@H]43)n2)CC1 1615046315 PJYSOLYAGUIEAY-HUUCEWRRSA-N 333.457 2.411 30 40 EEEB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(c2nccc(C#N)n2)C3)nc1 1888863479 AXYGKIJTQDQKNL-KDOFPFPSSA-N 336.399 2.132 30 40 EEEB COCc1cc(C)n(CC(=O)N[C@H](C)c2ccccc2)c(=O)c1C#N 810873 PSOZOOBNNYBSGJ-CQSZACIVSA-N 339.395 2.052 30 40 EEEB CCc1nn(CCC(=O)Nc2ccc(F)cc2)c(=O)c(C#N)c1CC 69630892 VNYAKMICGKLHLX-UHFFFAOYSA-N 342.374 2.408 30 40 EEEB Cc1nnc(N2CCN(C(=O)CCc3ccccc3)CC2)c(C#N)c1C 71832792 GEJZHOIZCFVJBW-UHFFFAOYSA-N 349.438 2.247 30 40 EEEB N#Cc1ccc(NCCCCN2CCN(CCO)CC2)cc1Cl 71907730 QAWFREFMBYXLBY-UHFFFAOYSA-N 336.867 2.014 30 40 EEEB C[C@H]1CN(CC(=O)Nc2sccc2C#N)CCN1c1nccs1 95351808 QSBRZKAUAFVXMN-NSHDSACASA-N 347.469 2.225 30 40 EEEB N#Cc1ccc(CN2CCN(c3ccncc3Cl)CC2=O)cc1 95408648 OSJRUAHBFFQBRG-UHFFFAOYSA-N 326.787 2.455 30 40 EEEB C/N=C(/NCCCn1cccn1)NC1CCC(N2CCCCC2)CC1 97229797 BGLIHFNJODBGCO-UHFFFAOYSA-N 346.523 2.235 30 40 EEEB N#Cc1ccccc1NS(=O)(=O)c1cccc(-c2nnco2)c1 96493294 ATZYWXJZCKDSMA-UHFFFAOYSA-N 326.337 2.409 30 40 EEEB CC(/C=N/Nc1ccc([N+](=O)[O-])cn1)=N\Nc1ccc([N+](=O)[O-])cn1 17328641 AGVUZXOYZYMXNX-FSVHMREBSA-N 344.291 2.179 30 40 EEEB COc1ccc(NC(C)=O)cc1NCC(=O)N[C@](C)(C#N)C(C)C 11620279 YWEFUVRLLHOTAH-QGZVFWFLSA-N 332.404 2.120 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1nncn1-c1ccccc1 40088241 WUODIFBUGWWHLG-AWEZNQCLSA-N 347.378 2.223 30 40 EEEB N#Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 32994633 OBVBWCWONLEKIK-UHFFFAOYSA-N 325.280 2.490 30 40 EEEB CN(CCC#N)C(=O)CN(C[C@H](O)c1ccccc1)CC(C)(C)C 70020053 FDHMVEHYBYOUSN-KRWDZBQOSA-N 331.460 2.440 30 40 EEEB N#Cc1ccsc1NC(=O)CN1CC[C@H](CNc2ccccn2)C1 97200500 IJVNJXWECZLJKB-CYBMUJFWSA-N 341.440 2.387 30 40 EEEB COC(=O)CCN(C(=O)c1cc(C#N)cn1C)c1ccccc1C 95940959 ZTBWWDRAXOXQKV-UHFFFAOYSA-N 325.368 2.415 30 40 EEEB Cc1ccc(CCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 95943104 BEKIRWSXJXAKKW-UHFFFAOYSA-N 336.395 2.277 30 40 EEEB CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 253532656 JZEZLAAJRKPOFM-VOVRYDEDSA-N 346.467 2.377 30 40 EEEB biogenic,in-vitro C/C(=N\Nc1ccc(S(N)(=O)=O)cn1)[C@@H]1C[C@H]1c1ccccc1 585145946 CETZNXHVTIZLGP-WTQAEKLLSA-N 330.413 2.321 30 40 EEEB CN1C(=O)CC[C@H](C(=O)NCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 83877227 JRNFPAOSMPXYNS-JSGCOSHPSA-N 339.317 2.255 30 40 EEEB CN(C[C@H](O)COCc1ccccc1)c1ccc(C#N)cc1[N+](=O)[O-] 79002628 XHZIYUYNIJKHKP-INIZCTEOSA-N 341.367 2.480 30 40 EEEB C=C1[C@H](O)C[C@H]2[C@@H](C=C(C)C(=O)[C@@]3(O)CC(C)=C(O)[C@@H]3[C@H]1O)C2(C)C 1560408781 IWVPAMDFJKGSGW-ZHXRYWABSA-N 348.439 2.039 30 40 EEEB C[C@@H](CS)C(=O)N1C[C@H](Sc2ccccc2)C[C@@H]1C(=O)O 11616939 UQWLOWFDKAFKAP-CYZMBNFOSA-N 325.455 2.399 30 40 EEEB COc1ccccc1/C=N/OC(=O)NS(=O)(=O)c1ccc(C)cc1 16310211 XSTRPTBWOQJSSC-GZTJUZNOSA-N 348.380 2.453 30 40 EEEB 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([N+](=O)[O-])s1 169332206 KCZFLFYOLLDLKV-SEVOSZAFSA-N 343.364 2.043 30 40 EEEB CC[C@H](C)CC(=O)O[C@@H]1C(=O)C(CO)=C[C@@H](OC(C)=O)[C@@H]1C(C)C 229763974 MPXXSICHRNCHHK-WBBBXAHXSA-N 340.416 2.040 30 40 EEEB biogenic,in-vitro CSc1ncc(C#N)c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 2298171381 WGCVNZZWYQPVRD-LBPRGKRZSA-N 333.461 2.201 30 40 EEEB C[C@H](C(=O)[C@H](C#N)C(=O)NC1CCCC1)N1CCc2ccccc2C1 101831591 ZBZQSMAWLHGNEC-KDOFPFPSSA-N 339.439 2.201 30 40 EEEB O=C(O)c1ccc(/C=N/NC(=S)NCCc2ccccc2)cc1 6889766 HZBFGEAFXSTFID-XDHOZWIPSA-N 327.409 2.426 30 40 EEEB C=CCNC(=O)c1ccc(N2CCC[C@@H](Cc3noc(C)n3)C2)nc1 97047817 LHKSARXVCKAFDZ-AWEZNQCLSA-N 341.415 2.148 30 40 EEEB CC(C)(NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 97096030 NBPONORJAWVHPL-UHFFFAOYSA-N 339.370 2.479 30 40 EEEB N#Cc1c(CSc2nnnn2C[C@@H]2CCCO2)cn2ccccc12 58369544 QRGHPQQFYQDROX-ZDUSSCGKSA-N 340.412 2.269 30 40 EEEB C[C@H]1CN([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)CCN1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2 100986995 NVGJHFALHAUOTL-PFXRJHJYSA-N 346.475 2.250 30 40 EEEB CCOc1cc(/C=N/N=C(\S)NC)cc(Br)c1O 6758641 DBSNFLHKNJMGDN-MKMNVTDBSA-N 332.223 2.393 30 40 EEEB C#Cc1cccc(N(CC(=O)NC)CC(=O)Nc2ccc(C)cc2)c1 68971544 LNZLPKBWLUVPPB-UHFFFAOYSA-N 335.407 2.167 30 40 EEEB CCCNC(=O)c1cccc(C/N=C(/N)NCCc2ccccc2)c1 70013870 RHHUDBRTAWWRDM-UHFFFAOYSA-N 338.455 2.473 30 40 EEEB CC1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 69413678 SQHBPAOCFIAVKT-SFHVURJKSA-N 326.400 2.015 30 40 EEEB COC(=O)c1ccc(CNC(=O)NCc2ccc(C#N)cc2F)cc1 69627032 VHYJPVLFPOSYOI-UHFFFAOYSA-N 341.342 2.483 30 40 EEEB Cc1nn(CC(=O)Nc2cc(C#N)cn2C(C)(C)C)c(C)c1[N+](=O)[O-] 78665281 PFBZMBDOUFWDDF-UHFFFAOYSA-N 344.375 2.475 30 40 EEEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC 218337053 RTICLIAEWARKHG-IPYPFGDCSA-N 341.816 2.314 30 40 EEEB Cc1nnc(COc2ccc(C#N)cc2I)o1 225573081 HVIYBKDGYOFGCD-UHFFFAOYSA-N 341.108 2.433 30 40 EEEB CN1CCN(c2c(C#N)cccc2C#N)C[C@H]1c1nc(C2CC2)no1 583616885 SHSHOBYGRZBLHV-HNNXBMFYSA-N 334.383 2.183 30 40 EEEB CC(C)C[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1C#N 96428019 MRZLLVDLCOMTTG-LBPRGKRZSA-N 326.393 2.133 30 40 EEEB C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1 96439940 WJTCBMGRNDIOEZ-AWEZNQCLSA-N 347.507 2.308 30 40 EEEB C[C@@H](N[C@@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N(C)CCC#N 76046821 LAXKDYBDDBVHGK-UKRRQHHQSA-N 331.464 2.366 30 40 EEEB C=CCOC[C@@H]1CN(Cc2cccc(OC)c2)Cc2nnn(C)c21 2055750675 PVKSLXKHIPHZTJ-HNNXBMFYSA-N 328.416 2.126 30 40 EEEB COc1cncc(O[C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 225498451 LLILZEVOSXALOF-HNNXBMFYSA-N 338.367 2.040 30 40 EEEB Cn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 2753894 NIAKLHZLPXGTOF-UHFFFAOYSA-N 333.442 2.358 30 40 EEEB N#C[C@@]12C3=NC(=N)[C@]1(C#N)[C@@H]1CCCC[C@]1(O3)O[C@H]2c1ccncc1 102928507 GICZAEKCMQBQEG-WIHIRCLASA-N 333.351 2.479 30 40 EEEB C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc(C#N)n1 71888009 WYQYMEZKEVSGQP-NSHDSACASA-N 326.385 2.183 30 40 EEEB CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n[nH]c1=O 8707189 HUROIFVWKALFDJ-NSHDSACASA-N 345.428 2.362 30 40 EEEB C[C@@](C#N)(NC(=O)CNC1(c2cccc(F)c2)CCOCC1)C1CC1 95418663 AFEFUWZVRNFXRA-SFHVURJKSA-N 345.418 2.229 30 40 EEEB Cc1noc([C@H](C)/N=C(/O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 328884770 MZZKLFAUGWTCGL-NILFDRSVSA-N 329.404 2.388 30 40 EEEB N#Cc1cc(S(=O)(=O)NCC[C@H](O)c2ccccc2)ccc1F 96483561 HWGBNNLWRZBQQQ-INIZCTEOSA-N 334.372 2.099 30 40 EEEB C=C(CN(C)C)C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 1616037353 JMNZYGAFQKGSFS-GFCCVEGCSA-N 344.381 2.041 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCCN1CC(C)C 89651280 KOGBXTVXHRZCLK-INIZCTEOSA-N 335.473 2.265 30 40 EEEB CCN(CC)c1ccc2cc(/C(C)=N/NC(N)=S)c(=O)oc2c1 241149 DRGHWLNJVCQNKW-VCHYOVAHSA-N 332.429 2.196 30 40 EEEB Cc1ccc2c(c1)C(=O)/C(=C\Nc1ccc(O)c(C(=O)O)c1)[C@@H](O)O2 16348147 PJVYCVYJVNORQK-RORWEDLISA-N 341.319 2.288 30 40 EEEB Cn1c(CO)nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3O)ccc21 3167737 URJCINWSWMYZCI-CAOOACKPSA-N 326.312 2.430 30 40 EEEB C[C@@H]1CCCC/C1=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 101525224 BZRVYCIIDHUXRX-DXXBARHASA-N 326.378 2.220 30 40 EEEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)C(=O)O1 24002490 IOWGXARUWVWCCY-HSWBROFVSA-N 334.711 2.297 30 40 EEEB C=CCn1cnn(CN(C)Cc2ccc3c(c2)OCCO3)c1=S 14189743 SHOHFVYJKCCKMS-UHFFFAOYSA-N 332.429 2.461 30 40 EEEB C=C(C)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 16207746 OMEBQATZARVSNQ-UHFFFAOYSA-N 335.381 2.491 30 40 EEEB O=C1N/C(=N\N=C/c2ccco2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 16755484 ZZLUSLRYGSCJKP-WPBJZHHJSA-N 344.352 2.352 30 40 EEEB N#Cc1ccc(Cn2nc3n(c2=O)C(=O)N(c2ccc(F)cc2)C3)cc1 1547200997 GDLZRWJSZMSVSU-UHFFFAOYSA-N 349.325 2.092 30 40 EEEB CC(C)C/N=C(/NCc1nc(C2CC2)no1)N[C@@H]1CCO[C@@H](C)C1 195564459 OZVWQDXWEQUYFR-GXTWGEPZSA-N 335.452 2.206 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)C(=O)N[C@H](C)CC 62410860 DWCOMYNEDDBCPN-NEPJUHHUSA-N 332.404 2.382 30 40 EEEB CCn1cc(O[C@@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@H]2O)cn1 599501173 BZHNBLWYRGOKSY-IAGOWNOFSA-N 346.818 2.052 30 40 EEEB N#Cc1cccnc1Oc1ccccc1NCC(=O)N1CCOCC1 55844483 VVKAPUQYMBQFPN-UHFFFAOYSA-N 338.367 2.016 30 40 EEEB N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)cn1 97114317 DRERNJBXWUHTRX-UHFFFAOYSA-N 342.302 2.106 30 40 EEEB COC(=O)c1ccc(/C=N/n2c(C)nnc(-c3ccccc3)c2=O)cc1 1439667 XLHAALDGFWKHEN-UDWIEESQSA-N 348.362 2.283 30 40 EEEB CC1(C)C[C@@](CCC#N)(C2N3CC4(C)CN2CC(C)(C3)C4O)CCO1 19331538 ZIFJKFKHHJEKHG-ZQAPWMODSA-N 347.503 2.210 30 40 EEEB biogenic COc1ccc(-c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23)cc1 23330247 NWRPULJVEZBFNA-UHFFFAOYSA-N 339.380 2.107 30 40 EEEB Cn1ccnc1CN1CC[C@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1 107225976 FZUFKLLDPCIILT-MJGOQNOKSA-N 337.427 2.137 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)[C@@H]3CCCO3)c2C#N)C1 3362603 QZXQVRLOCPOAQL-GWCFXTLKSA-N 348.424 2.405 30 40 EEEB Cc1ccc(C[C@@H](C#N)Sc2nnnn2C[C@@H]2CCCO2)cc1 48324086 DRNCYVQQMQYIBL-GJZGRUSLSA-N 329.429 2.388 30 40 EEEB CCCC1(CCC)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 2621233 RDYAQVIYKAYIKT-UHFFFAOYSA-N 342.399 2.388 30 40 EEEB C/C(O)=N/S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1Br 95395399 HSONPHROZQKCDV-UHFFFAOYSA-N 337.151 2.164 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H]1c1ccccc1 65516877 WNDFLPGRYVQLKZ-WMZOPIPTSA-N 335.407 2.468 30 40 EEEB Cc1oc(NC(=O)CN2CCCC[C@H]2Cn2cccn2)c(C#N)c1C 69631972 KGMZOAWEBYEODF-HNNXBMFYSA-N 341.415 2.458 30 40 EEEB N#Cc1cccc(Cl)c1NC[C@@H]([C@H]1CCOC1)N1CCOCC1 71893818 FDMFITCVENYHCK-HOCLYGCPSA-N 335.835 2.361 30 40 EEEB C#CCOc1ccc(NC(=O)NCCCc2nnc3ccccn23)cc1 88382161 AJBYYNCVCFIBAN-UHFFFAOYSA-N 349.394 2.496 30 40 EEEB C[C@H](/N=C(/NCCCn1cccn1)NCc1ccco1)[C@@H]1CCCO1 95948107 RHQKUJRMNMXLNP-RDJZCZTQSA-N 345.447 2.169 30 40 EEEB C=C(Br)CNC(=O)[C@H](CC(C)C)N1CCCCC1=O 95964744 OFFFPLXIHDAYOH-LBPRGKRZSA-N 331.254 2.438 30 40 EEEB CC(C)n1cc(C#N)c(NC(=O)NC[C@@](C)(O)c2ccsc2)n1 89894019 LZOOFSDJZOCDPM-OAHLLOKOSA-N 333.417 2.426 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)c2occc2Br)CC1 81728970 DBLRSIAXIQHURG-LBPRGKRZSA-N 340.221 2.348 30 40 EEEB COC(=O)[C@H](C#N)[C@](C#N)(C(=O)OC)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O 248201001 VVYTXKBROITZSS-CVXDAYKESA-N 348.399 2.014 30 40 EEEB COCCCNc1cc(C#N)ccc1S(=O)(=O)NC1CC(C)C1 1615050940 NOPJCZGBTGXNAP-UHFFFAOYSA-N 337.445 2.083 30 40 EEEB N#CC1(NC(=O)CN2CCN(c3ccccc3Cl)CC2)CCCC1 34858806 XZHBCIYRBAERJT-UHFFFAOYSA-N 346.862 2.415 30 40 EEEB COc1ccc(NC(=O)c2ccc(C#N)cc2)cc1NS(C)(=O)=O 12822388 YDZXPRNVHVHHSV-UHFFFAOYSA-N 345.380 2.191 30 40 EEEB C=CCN1CC[C@]2(CN(C(=O)c3cccc(Cl)n3)C[C@H]2C)C1=O 1614930815 MPHOFFHDNKWUGY-SJKOYZFVSA-N 333.819 2.232 30 40 EEEB C=CC[C@H]1N(c2ccccc2C)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4029004 YVOPSVWVGZDOKC-GMKVZWAMSA-N 325.364 2.311 30 40 EEEB biogenic C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC 8995801 URCAVGOUMSWAGQ-LBPRGKRZSA-N 341.367 2.126 30 40 EEEB CCc1cc2c(=O)n(CC(=O)NC3(C#N)CCCCC3)cnc2s1 19356418 AAHHPZWRAPTPSJ-UHFFFAOYSA-N 344.440 2.363 30 40 EEEB C=CCN(CC=C)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6755534 DHROEABAYVAMKZ-UHFFFAOYSA-N 348.468 2.288 30 40 EEEB C#CCOc1c(CC=C)cc(/C=C2/NC(=O)N(C)C2=O)cc1OCC 409192330 AXBMYVRSMQCEMW-RVDMUPIBSA-N 340.379 2.348 30 40 EEEB Cc1cc(C)cc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)c1 17824711 ZFDYNCBOGQNOCN-UHFFFAOYSA-N 346.390 2.257 30 40 EEEB N#Cc1ccccc1OC1CCC(NC(=O)c2nccnc2N)CC1 71898219 VLFPFSLAZWWCOV-UHFFFAOYSA-N 337.383 2.050 30 40 EEEB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)/N=C1/NCCS1)CC2 95411909 KWSSMJQQQAHQLV-MRVPVSSYSA-N 344.362 2.128 30 40 EEEB CN(Cc1ccco1)Cc1ccccc1C/N=C(/N)N1CCOCC1 95964069 RQXGQZUHTQRONX-UHFFFAOYSA-N 342.443 2.059 30 40 EEEB N#Cc1ccccc1CN(CC(=O)N1CCCC1)C[C@H]1CCCO1 76048891 ZTIKADNBBHMFMX-GOSISDBHSA-N 327.428 2.162 30 40 EEEB CCc1ncnc(N2C[C@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)c1F 1888853671 JVXMIQQCTLHHMI-ZIAGYGMSSA-N 338.390 2.017 30 40 EEEB C=CCCC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775973312 MOJZNZJWFIRJKU-UHFFFAOYSA-N 327.306 2.242 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccc(O)c1 104201291 CFHRCFLSTLMAMJ-IDTYTIONSA-N 343.335 2.053 30 40 EEEB COC(=O)c1sc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C#N)c1C 102204504 KUKOXFGXHCJLLG-AOOOYVTPSA-N 330.365 2.170 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@H](O)c3ccccc3Cl)CC2)c1 47856951 SOPJMLKMDNJFCT-KRWDZBQOSA-N 342.830 2.462 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)Cn1cccc(C(F)(F)F)c1=O 25105342 PNCYSDZVCCLBSO-UHFFFAOYSA-N 349.312 2.397 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]([C@@H]1CCOC1)N1CCCC1 44976778 DUWSXXOFCGJGPF-DYVFJYSZSA-N 330.388 2.379 30 40 EEEB CN1C(=O)/C(=C\c2nc(C#N)c(N3CCCCC3)o2)SC1=S 5180510 AWYHUTUCGCGQRR-JXMROGBWSA-N 334.426 2.368 30 40 EEEB C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)COc1ccccc1C#N 69652732 ABRNJKQDBZQOQK-ZDUSSCGKSA-N 347.415 2.309 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cn1 96503089 DIVQWQDGVIWUNE-UHFFFAOYSA-N 331.250 2.310 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C(=O)N1CCSCC1 71904192 FQOFSYWDVQMWFD-HNNXBMFYSA-N 346.412 2.011 30 40 EEEB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 44866621 BJPHTYARZAKEJM-HIFRSBDPSA-N 330.384 2.127 30 40 EEEB CS(=O)(=O)O[C@H]1C[C@H]2CC[C@H]3C[C@@H](O[C@@H]4CCCCO4)[C@H]1[C@@H]32 45070832 NKITVIAMISOQED-BVHJZBIISA-N 330.446 2.309 30 40 EEEB CCN1C(=O)/C(=N\n2c(C)nc3ccccc3c2=O)c2ccccc21 3313717 OWQWCBJURLVQPS-FXBPSFAMSA-N 332.363 2.324 30 40 EEEB COc1ccc(C(=O)/C=C2/NC[C@H]3c4ccccc4CCN3C2=O)cc1 17971807 WXPMAIFQEOWVML-GQEMFKIVSA-N 348.402 2.491 30 40 EEEB COc1cccc([C@H]2c3cnn(C(C)C)c3NC(=O)[C@H]2[N+](=O)[O-])c1 100254737 WUZFJKDTBRHJSJ-KBPBESRZSA-N 330.344 2.202 30 40 EEEB N#CCCN(Cc1cccnc1)C(=O)Cc1cn2ccsc2n1 78757832 RAUJOJNIDACEKR-UHFFFAOYSA-N 325.397 2.276 30 40 EEEB CCCCc1ccc(S(=O)(=O)OCCS(=O)(=O)CC)cc1 4866404 SOUVMUMXJZHROY-UHFFFAOYSA-N 334.459 2.169 30 40 EEEB CN(C)c1cccc(S(=O)(=O)N(C)Cc2cccc(C#N)c2)c1 97166194 PAILUIUFWOJGER-UHFFFAOYSA-N 329.425 2.445 30 40 EEEB O=C(CNC(=O)c1ccc(F)c(C(F)(F)F)c1)NCC(F)(F)F 58300483 MFHKGTAFGQEKTC-UHFFFAOYSA-N 346.202 2.253 30 40 EEEB CCCn1cc(/C(O)=N/S(=O)(=O)c2cn(C)c3ccccc23)cn1 97081482 PWIIVBGDUDXMKR-UHFFFAOYSA-N 346.412 2.478 30 40 EEEB CC/N=C(\NCc1sccc1C)NC[C@H](c1cnn(C)c1)N(C)C 89083261 JDDFOVVVCBOVPL-OAHLLOKOSA-N 348.520 2.148 30 40 EEEB COc1ccc([C@@H](C#N)N2CCN(C(=O)/C=C/C3CC3)CC2)cc1 79369462 FYLUAUJIMWHFFB-CHHNCHTKSA-N 325.412 2.370 30 40 EEEB N#Cc1cccc(CN2CCn3cc(CNC(=O)CC4CC4)nc3C2)c1 96197420 QHYQBEJMDJDDCH-UHFFFAOYSA-N 349.438 2.187 30 40 EEEB C#CC1(OC[C@H](O)CN(CCO)Cc2ccccc2)CCCCC1 96305974 VCYFDUOGLKXOSA-LJQANCHMSA-N 331.456 2.195 30 40 EEEB CN(C)c1ncc(-c2cc(C(=O)NCCC#N)n(CC3CC3)c2)cn1 96037660 HRZYYXBKFVDQJL-UHFFFAOYSA-N 338.415 2.065 30 40 EEEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 253575389 UNJXVVXUVDKPMK-CXJVNJBASA-N 344.754 2.210 30 40 EEEB O=C(Cc1ccc(F)cc1)NCC#CCOc1ccc2c(c1)OCO2 90730796 BJVMBWCNENVWHE-UHFFFAOYSA-N 341.338 2.296 30 40 EEEB CC/N=C(/NCCCOC)NCc1ccnc(OCC(F)(F)F)c1 71804098 DWMGBHDWWHJVPZ-UHFFFAOYSA-N 348.369 2.114 30 40 EEEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)Cc2ccccc2)n1 17068278 JQRBCHLUNOJAQS-UHFFFAOYSA-N 332.367 2.332 30 40 EEEB C=CCNC(=O)NC(=O)CSc1ncnc2sc3c(c12)CCC3 5212748 LOKJFDCEMMMFQA-UHFFFAOYSA-N 348.453 2.284 30 40 EEEB COc1ccc(C#N)cc1NC(=O)NCc1cccnc1-n1cccn1 50108213 UDTBJQGKBMTIJD-UHFFFAOYSA-N 348.366 2.469 30 40 EEEB C=CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)n[nH]c1=S 20416325 LEVXCARBYRYMKS-UHFFFAOYSA-N 342.421 2.232 30 40 EEEB CCN(CC)CCNC(=O)CCCOc1ccc(C#N)cc1OC 46737050 XDWDYRXJYFNOBH-UHFFFAOYSA-N 333.432 2.184 30 40 EEEB OC[C@H](O)COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103537188 UUPQLJUUKYLIEW-YFKPBYRVSA-N 338.166 2.215 30 40 EEEB C[C@@]1(c2ccsc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 58357374 YTCZBUZJLHBAEB-KRWDZBQOSA-N 341.392 2.466 30 40 EEEB CC(=O)c1ccc(N(C)CCCc2n[nH]c(N)c2C#N)c([N+](=O)[O-])c1 29165071 PWJKXNNXIBHMTI-UHFFFAOYSA-N 342.359 2.043 30 40 EEEB CCN(CC(=O)NC(C)C)C(=O)c1c(C)oc(-n2cccc2)c1C#N 9153931 NIRURDBHDPZSBC-UHFFFAOYSA-N 342.399 2.237 30 40 EEEB C#CCN1CCC(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)OC)CC1 96409916 WDFDNDONOSOQQC-SFHVURJKSA-N 342.439 2.316 30 40 EEEB CC(=O)N[C@@H](C(=O)NCCSCc1ccccc1C#N)C(C)C 7649109 BXMASYDHFDDWCE-MRXNPFEDSA-N 333.457 2.068 30 40 EEEB N#Cc1ccsc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 7606937 ZQRJFLHOXFTWRJ-UHFFFAOYSA-N 328.332 2.051 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(CC4CCOCC4)C3)C2)n1 96047701 BQLAIDRJUWJSRV-PKOBYXMFSA-N 342.443 2.025 30 40 EEEB C#CCn1cc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cn1 97095988 JIABWJYUIWABEQ-UHFFFAOYSA-N 327.344 2.397 30 40 EEEB O=C(NCC#Cc1ccccc1)N1CCC([C@@H](O)C(F)(F)F)CC1 96477005 JNVDFPGDBINGTK-OAHLLOKOSA-N 340.345 2.383 30 40 EEEB C[C@H](NC(=O)c1cccc(C#N)c1)c1cccc(NS(C)(=O)=O)c1 40515949 MYYCUXHMKWNDRJ-LBPRGKRZSA-N 343.408 2.421 30 40 EEEB N#Cc1ccc(CN2CCCN(C(=O)C[C@@H]3CCCO3)CC2)cc1 46784928 KENMHIPKKPCIRV-SFHVURJKSA-N 327.428 2.162 30 40 EEEB N#C[C@H]1C(=S)NC(N)=C(C(=O)Nc2ccccc2)C12CCCC2 102413733 TXHCFLNTELVMNG-LBPRGKRZSA-N 326.425 2.426 30 40 EEEB COc1cc(/C=N/S(=O)(=O)CCc2ccccc2)cc(OC)c1O 13126859 BBXNTQRDPXUZBG-LDADJPATSA-N 349.408 2.401 30 40 EEEB Cc1n[nH]c(O)c1[C@H](c1ccccc1OCC#N)c1c(O)n[nH]c1C 4454001 YFJMPFMHGAZETC-UHFFFAOYSA-N 339.355 2.243 30 40 EEEB CCCc1noc([C@@H](C)N2CCN(c3ccc(C#N)cn3)CC2)n1 71821768 IKKYVGGJXPUBFM-CYBMUJFWSA-N 326.404 2.172 30 40 EEEB O=C1CCCC2=C1[C@@H](c1coc3ccccc3c1=O)n1ncnc1N2 18195729 UCYUKFZXEDHKOG-MRXNPFEDSA-N 334.335 2.407 30 40 EEEB Cn1ccnc1C(=O)[C@H](C#N)c1nc2scc(C3CC3)c2c(=O)[nH]1 95455129 PDTZUQIWYXQSMB-VIFPVBQESA-N 339.380 2.086 30 40 EEEB CN1C(=O)C[C@H](C(=O)Nc2cccc(F)c2C#N)[C@@H]1c1cccnc1 76040736 HUAFCVLVEUVPFC-SJCJKPOMSA-N 338.342 2.250 30 40 EEEB N#Cc1ccc(COc2cccc([C@H]3CC(=O)N=C4NC=NN43)c2)cc1 38185075 BMTCLANNNXRXPH-QGZVFWFLSA-N 345.362 2.313 30 40 EEEB CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224751639 CHSJPLPJDXSGHG-UHFFFAOYSA-N 331.353 2.486 30 40 EEEB C=CCN(Cc1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccccc1 224467311 XFYGEDNGSJALCI-UHFFFAOYSA-N 344.436 2.423 30 40 EEEB C[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CCN1CC(F)(F)F 95447200 WCILUILJAFWTRF-LBPRGKRZSA-N 340.349 2.336 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 40512071 HJENHHRZHYKNCQ-CQSZACIVSA-N 326.400 2.429 30 40 EEEB N#Cc1cc(N(CCO)Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 79022784 CANMJZSTRJYWIN-UHFFFAOYSA-N 349.350 2.409 30 40 EEEB Cc1cc(C)n(Cc2cccc(C(=O)[C@H](C#N)C(=O)NC(C)C)c2)n1 102769609 BVAHQJWVLBOGAA-KRWDZBQOSA-N 338.411 2.395 30 40 EEEB C[C@]1(c2ccsc2)NC(=O)N(CCOc2ccccc2C#N)C1=O 58293156 XCBFDZJIMKINOB-QGZVFWFLSA-N 341.392 2.466 30 40 EEEB COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)CC[C@@H]1CCCO1 48460595 SOARRMQYXNBXRQ-NSHDSACASA-N 341.385 2.078 30 40 EEEB Cc1oc(NC(=O)CN2CCC(c3cnn(C)c3)CC2)c(C#N)c1C 97203228 VKUFQKXQUGCDBP-UHFFFAOYSA-N 341.415 2.320 30 40 EEEB Cc1cccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@H]2CCCO2)c1 69283143 YXABARFBHJWLQX-CHWSQXEVSA-N 327.402 2.224 30 40 EEEB O=C(COc1ccc(/C=N/c2ccc(O)cc2)cc1)N1CCOCC1 409249102 JLROPDKTQFYBQG-DEDYPNTBSA-N 340.379 2.380 30 40 EEEB O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1C=C[C@H]2C12CC2 408723599 XMGFCHXHRGJZRX-YBYJWOLWSA-N 343.364 2.187 30 40 EEEB C#CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409042469 NBNYQHPHTQWPPX-NTCAYCPXSA-N 328.393 2.193 30 40 EEEB CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O 79028268 MHBBOHQSAYHIRN-GFCCVEGCSA-N 340.305 2.185 30 40 EEEB N#Cc1ccc(N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)nc1 96224506 RNJFQPBJVJDINF-IBGZPJMESA-N 333.395 2.372 30 40 EEEB N#Cc1cccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)n1 97229744 QZBATVNFBHBBAT-UHFFFAOYSA-N 344.422 2.461 30 40 EEEB COC(=O)c1ccc(/C=C/C(O)=N/S(=O)(=O)c2cccnc2)cc1 83895728 OIHPSAWORRLWJK-RMKNXTFCSA-N 346.364 2.227 30 40 EEEB C=CCn1c(N2CCC(C(=O)NCCOC)CC2)nc2ccccc21 12116472 GFBOTBMUZGARMX-UHFFFAOYSA-N 342.443 2.201 30 40 EEEB CC1(C)CC[S@@](=O)c2ccc(C#Cc3ncc(C(=O)O)cn3)cc21 1857524131 NENFGFHRYIOMTM-XMMPIXPASA-N 340.404 2.364 30 40 EEEB CCS/C(=N\N=C\c1ccccc1O)NC=C(C(C)=O)C(C)=O 6933786 MNMMDFDRKJFRKH-GIJQJNRQSA-N 333.413 2.487 30 40 EEEB N#Cc1c(NC(=O)c2nccnc2C(=O)O)sc2c1CCCC2 1506714 KRRIQYGMECAWGH-UHFFFAOYSA-N 328.353 2.239 30 40 EEEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 58184414 DYLCKQOOVQXYJF-IBGZPJMESA-N 330.347 2.397 30 40 EEEB CCN1CCN(c2ccc(CNC(=O)c3ccc(C#N)cc3)cn2)CC1 59017774 JMYIJGQMAVPVSJ-UHFFFAOYSA-N 349.438 2.025 30 40 EEEB CN1/C(=C\c2ccc3c(c2)OCO3)C(=O)c2ccccc2S1(=O)=O 8991581 OLSMACCUBPLZJC-JYRVWZFOSA-N 343.360 2.273 30 40 EEEB C=CCN(CC=C)C(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 4435367 KCRLAVYPQPYGJG-GOSISDBHSA-N 336.391 2.473 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)CS(=O)(=O)NC1CCC(C)CC1 69529473 NISRXYCEUDAWTK-UHFFFAOYSA-N 349.456 2.303 30 40 EEEB CC(C)[C@H](C#N)NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 69668146 ZGXPPQBCWOKUQB-IRXDYDNUSA-N 327.428 2.132 30 40 EEEB N#Cc1cn(-c2ccc(NC(=O)CC[C@H]3CCCOC3)cc2)nc1N 95407095 LDBAMFIXKHKLIQ-CYBMUJFWSA-N 339.399 2.471 30 40 EEEB C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 95986226 FTKLFWWJZKBYPU-SNVBAGLBSA-N 330.837 2.287 30 40 EEEB Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(F)ccc2C#N)CC1 89925770 VSHFBEOTIUABKK-KRWDZBQOSA-N 328.391 2.376 30 40 EEEB COc1cccc(C=Nn2c(O)nc3ccccc3c2=O)c1OC 409351753 YZBOEMROTMVFPI-UHFFFAOYSA-N 325.324 2.002 30 40 EEEB N#C[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218407676 ZWSWMGIBNDREMA-IKGGRYGDSA-N 331.368 2.268 30 40 EEEB C#CCn1cc(CN(C)S(=O)(=O)c2c(F)cccc2Cl)cn1 97380112 MZSJPINFXDGOKH-UHFFFAOYSA-N 341.795 2.130 30 40 EEEB C=CCn1nnnc1SCc1nnc(Cc2ccccc2C)o1 96471970 MOCAKJFPJPZEGN-UHFFFAOYSA-N 328.401 2.434 30 40 EEEB N#Cc1cc(NCc2cn(C[C@@H]3CCCO3)nn2)nc2ccccc12 1616035030 PFIWQOJJENMPQK-HNNXBMFYSA-N 334.383 2.489 30 40 EEEB C=CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15508976 COAPLZDWNLXYAC-UHFFFAOYSA-N 330.409 2.428 30 40 EEEB CCc1ncnc(N2C[C@@H]3CN(c4cnccc4C#N)C[C@@H]3C2)c1F 1888856493 DWZZZEOJWRNDOQ-OKILXGFUSA-N 338.390 2.017 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 546368 TZATVPBHQRGROM-AWEZNQCLSA-N 329.352 2.159 30 40 EEEB COC(=O)Nc1cccc(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)c1 102766078 JCVQSNCEKPPANP-CQSZACIVSA-N 329.356 2.246 30 40 EEEB COC(=O)c1ccc(CCNC(=O)COc2ccc(C#N)cc2)cc1 29577557 XJKYTPYSOIRCOP-UHFFFAOYSA-N 338.363 2.083 30 40 EEEB C=C(Br)CNC(=O)Nc1ccc(OCCOC)nc1 62639846 ZGPFDONYRFGUDT-UHFFFAOYSA-N 330.182 2.137 30 40 EEEB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1cc(C#N)n(C)c1C 72298351 NLRVGTIFVVTOOU-KXBFYZLASA-N 341.459 2.423 30 40 EEEB Cc1oc(NC(=O)CN2CCC[C@H](c3ccnn3C)C2)c(C#N)c1C 72270566 KTARVILKNMLDLM-AWEZNQCLSA-N 341.415 2.320 30 40 EEEB C#CCN(Cc1ccco1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 69415247 GDZUEVVSGYDYGZ-UHFFFAOYSA-N 330.344 2.053 30 40 EEEB COC(=O)[C@H](NC(=O)c1ccc(C#N)cc1)c1cc(F)ccc1F 69527734 ROIJCGUBYXTSIT-OAHLLOKOSA-N 330.290 2.481 30 40 EEEB Cc1n[n+](CC(=O)c2ccccc2)c(C)n1/N=C/c1ccccc1O 69701182 CGKVWYYREVDEBH-UHFFFAOYSA-O 335.387 2.258 30 40 EEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C1(C#N)C#N 218199552 DEGNIUPVGFSGFV-VXGBXAGGSA-N 339.214 2.383 30 40 EEEB CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)cc1OC 579574506 JFRQXXPKRINKPA-CZUORRHYSA-N 340.383 2.500 30 40 EEEB C[C@@](O)(CNc1ccc(C(F)(F)F)cc1C#N)CN1CCOCC1 96483038 PLPVZTRDXIJGIE-OAHLLOKOSA-N 343.349 2.072 30 40 EEEB CN(CCC#N)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 5798051 REYYDNIFUJXOQW-XMHGGMMESA-N 342.424 2.349 30 40 EEEB O=[N+]([O-])c1ccc(S(=O)(=O)O/N=C(\O)Oc2ccccc2)cc1 1720140 ADPDJUDADWQYBZ-UHFFFAOYSA-N 338.297 2.208 30 40 EEEB Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C[C@H]3CCCO3)c2)c1 4166342 ZVTAYUCZPGRYDT-OAHLLOKOSA-N 338.363 2.144 30 40 EEEB C[C@@H](Oc1ccccc1C#N)/C(O)=N/S(=O)(=O)c1cccnc1 42323977 CZPBZWQIFQARQU-LLVKDONJSA-N 331.353 2.066 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CC[C@H]2CCCO2)CC1 47460919 MVNNEKVWJYZMGC-CQSZACIVSA-N 344.415 2.031 30 40 EEEB CN(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1 3252048 DPUKJXYTRFOZIC-CPNJWEJPSA-N 331.441 2.062 30 40 EEEB O=C(C[C@@H]1S/C(=N\c2ccccn2)NC1=O)NCc1ccccc1 27577295 OWDTZKOEEOYWBU-ZDUSSCGKSA-N 340.408 2.007 30 40 EEEB Cc1ccc(NC(=O)[C@@H](C)O/N=C(/N)[C@H](C)n2ccnc2)c(C)c1 72286196 DORMVWGJMNGPJQ-UONOGXRCSA-N 329.404 2.377 30 40 EEEB COc1cccc(CNCCCCCc2n[nH]c(N)c2C#N)c1OC 14075268 VTNOSVUTFXBBNR-UHFFFAOYSA-N 343.431 2.383 30 40 EEEB COC(=O)c1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 5545471 QMYFFDROXYKQCG-GZTJUZNOSA-N 332.381 2.094 30 40 EEEB N#C[C@@H](NC(=O)CN1CSCC1=O)c1cccc(Cl)c1Cl 66393473 GPURGPAUUJHVQY-SNVBAGLBSA-N 344.223 2.207 30 40 EEEB C#CCN1CCC(C(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 66921736 CQDXUHHUIAIMOF-IAGOWNOFSA-N 333.520 2.204 30 40 EEEB COc1ccc(C(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)cc1 4992930 MGEVOYOXSWLLRH-UHFFFAOYSA-N 348.366 2.412 30 40 EEEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](CN2CCOCC2)C1 69745181 IZIDMTAHRWJHBQ-IWAYRVGRSA-N 339.439 2.142 30 40 EEEB O=C1C2=C(Nc3nnnn3[C@@H]2c2ccc3c(c2)OCO3)c2ccccc21 18196120 HEEIQLYVENBDAZ-MRXNPFEDSA-N 345.318 2.024 30 40 EEEB C=C(C)C(=O)O[C@@H]1C[C@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)C(=C)[C@H]12 72320519 FDLLEBFMOIHMNM-ZLHSVIROSA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro COc1cc(/N=C(\N)Nc2ncccc2[N+](=O)[O-])cc(OC)c1OC 225242316 PVICQXJTKDVACB-UHFFFAOYSA-N 347.331 2.074 30 40 EEEB Cc1cc(C)cc([C@H](O)C/N=C(/O)Nc2nccc(N(C)C)n2)c1 330031954 GONDXMLXBWXNJI-CQSZACIVSA-N 329.404 2.219 30 40 EEEB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(C#N)c2)c1 57341670 MPDATFCKECBANH-UHFFFAOYSA-N 338.319 2.384 30 40 EEEB CCCc1cc(=O)[nH]c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)n1 14136157 JMGOAANNGCHLKO-LLVKDONJSA-N 348.453 2.456 30 40 EEEB C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 6559253 WJVDGDVDEZLJOT-UHFFFAOYSA-N 336.457 2.006 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)/C=C/c3cccs3)CC[C@H]2C1 1565548619 GJGNZGOAMURHCC-QRBHQTINSA-N 332.469 2.497 30 40 EEEB N#CC1(NC(=O)CN2CCN(c3ccccc3)CC2)CCCCC1 12537791 IGIUCIYMRFHXBG-UHFFFAOYSA-N 326.444 2.151 30 40 EEEB Cn1cc(CN2CC[C@]3(C[C@@H](Nc4cccc(C#N)c4)CO3)C2)cn1 107225968 DYIABHPWKCEFNE-MOPGFXCFSA-N 337.427 2.137 30 40 EEEB C/N=C(\NC)NC[C@H]1CCN(c2cccc(Br)c2)C1 65433807 TWDPJJBJBYCRNM-LLVKDONJSA-N 325.254 2.070 30 40 EEEB C=CCN(CC=C)C(=O)CNC(=O)c1cc(-c2ccccc2)on1 65590618 PPJZOIKZTGGCQE-UHFFFAOYSA-N 325.368 2.272 30 40 EEEB CC(=O)N(c1nc(Cn2cnc(C#N)n2)cs1)c1ccccc1F 14143828 FJCULAIPBULHOC-UHFFFAOYSA-N 342.359 2.478 30 40 EEEB C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CCN1Cc1nccn1C 69491250 XYQUWRPUAWPQHR-MRXNPFEDSA-N 348.454 2.251 30 40 EEEB COC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)c1ccco1 95433328 RECZPQHFTRQGAT-GFCCVEGCSA-N 340.788 2.471 30 40 EEEB CC(C)N(CC#CCNS(=O)(=O)c1cc(F)ccc1F)C(C)C 75164565 GLPCYGIXQXGBCB-UHFFFAOYSA-N 344.427 2.365 30 40 EEEB Cc1noc(CN2CCN(c3c(C#N)cnc4c(C)cccc34)CC2)n1 96424107 KCBVMMDKPRTNNE-UHFFFAOYSA-N 348.410 2.429 30 40 EEEB CCOC(=O)N1CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 390822587 DLMXIIAOJWPALL-UHFFFAOYSA-N 333.193 2.341 30 40 EEEB CC[C@H](C)N/C(=N/Cc1ccccc1)NC[C@@H]1CCN(CCOC)C1 72271833 CHPYBNWEEVYJKO-HKUYNNGSSA-N 346.519 2.489 30 40 EEEB C=CCNC(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90533651 JXHLMNGKHKTSJY-UHFFFAOYSA-N 326.400 2.497 30 40 EEEB C=CCN(CC(=O)O)S(=O)(=O)c1cccc(Br)c1C 548571364 WGJRMHHESIROQR-UHFFFAOYSA-N 348.218 2.019 30 40 EEEB CN(/N=C/c1ccc(N(C)C)cc1)C1=NS(=O)(=O)c2ccccc21 84562 TZEJUXVSLJJQGJ-LDADJPATSA-N 342.424 2.167 30 40 EEEB Cc1ccc2occ(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c(=O)c2c1 104675430 OSEQKJAITJZJAM-VIEIWLHZSA-N 348.358 2.242 30 40 EEEB Cc1cc(NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)n(C)n1 58397001 AXTWUUDDTTXTEI-UHFFFAOYSA-N 325.416 2.449 30 40 EEEB CCOc1ccc2c(c1)CN(CC(=O)NC1(C#N)CCCC1)CC2 58355322 IHMJXZYFHTUWDN-UHFFFAOYSA-N 327.428 2.396 30 40 EEEB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1cc(C#N)n(C)c1C 72298354 NLRVGTIFVVTOOU-DNVCBOLYSA-N 341.459 2.423 30 40 EEEB COC[C@@]1(C#N)[C@@H](S(C)(=O)=O)[C@@H]1c1ccc(Br)cc1 218190190 WPIZZNCIYSQCIX-RWMBFGLXSA-N 344.230 2.116 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(F)c1 5248943 XJZPWOWBTUXLPV-INIZCTEOSA-N 343.358 2.397 30 40 EEEB C=CCN1CCO[C@H]2CN(C(=O)c3ccc(OC)cc3C)CC[C@@H]2C1 1565551842 WHWUPFSTBVHARL-APWZRJJASA-N 344.455 2.353 30 40 EEEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccn(-c2cccc(F)c2)n1 103717386 LHMUNEAAOUIBGO-CQSZACIVSA-N 349.325 2.368 30 40 EEEB Cc1ccc(C2=NNC(=O)/C(=N/N=c3/[nH]cnc4ccccc34)C2)cc1 104572580 UVIYSSYJSMMTII-HAVVHWLPSA-N 344.378 2.052 30 40 EEEB CCOC(=O)C1=NO[C@@H](COc2ccc(Cl)cc2/C=N\O)C1 100916960 YBEXMVBQSQLANY-CRZGJZTJSA-N 326.736 2.235 30 40 EEEB N#Cc1[nH]c(=O)n(-c2ccccc2)c(=N)c1/N=C/c1ccc(F)cc1 100413511 MEJPJOLXJYWCEV-WUUGANBKSA-N 333.326 2.406 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]([C@@H]1CCOC1)N1CCCC1 44976781 DUWSXXOFCGJGPF-CXAGYDPISA-N 330.388 2.379 30 40 EEEB Cc1ccc2nc(N=C3NCN(Cc4ccccn4)CN3)nc(C)c2c1 19330381 IKOBKWNGEGYRLT-UHFFFAOYSA-N 347.426 2.239 30 40 EEEB N#Cc1cc(F)ccc1CN1CCC[C@H]1C(=O)N1CCSCC1 67117584 WULLPEJZPLTFAK-INIZCTEOSA-N 333.432 2.237 30 40 EEEB C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 8267051 YDSQFFSSTCGLIV-AWEZNQCLSA-N 344.411 2.257 30 40 EEEB Cc1ccc(S(N)(=O)=O)cc1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 69979705 VADYQIQZLRFRLI-WEVVVXLNSA-N 346.364 2.447 30 40 EEEB C=CCNC(=O)CN1CCN(C(=O)Nc2c(C)cccc2CC)CC1 71911690 KFFBPYUOIHRBSO-UHFFFAOYSA-N 344.459 2.009 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC[C@H]1C#N 72270450 AKPVXGFXTQSUDP-XJKSGUPXSA-N 327.384 2.422 30 40 EEEB COc1cnc(N/C(O)=N/[C@H]2CCCN(c3ccc(C)nn3)C2)s1 329248495 SMYBWGZTVCKUJD-NSHDSACASA-N 348.432 2.245 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)Cc2cnn(C)c2)cc1Cl 80298509 XVFFOGXUZYDPLF-UHFFFAOYSA-N 327.793 2.270 30 40 EEEB C[C@H](C#N)CN(C)CCS(=O)(=O)c1ccc(Br)cc1 49001142 DHCHHIGUXVMMLZ-LLVKDONJSA-N 345.262 2.314 30 40 EEEB C=CCOc1ccccc1C(=O)N1CCC(N2CCOCC2)CC1 585123956 SXDFQEDIGPYZGH-UHFFFAOYSA-N 330.428 2.188 30 40 EEEB N#Cc1nc(NC(=O)Cc2cccc(Br)c2)[nH]c1C#N 71185733 XIZCVNSTVNVOGZ-UHFFFAOYSA-N 330.145 2.097 30 40 EEEB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(N)=S)c1C 7278042 PIDSRJYTLZBETG-CAOOACKPSA-N 347.400 2.178 30 40 EEEB Cc1cnn(CCN2CCC(COc3cc(C#N)ccn3)CC2)c1 1849034745 PLCNVSASGQPQTG-UHFFFAOYSA-N 325.416 2.249 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc(Br)cc3)CC2)n1 2298043486 OQNAGDQDAQKNDC-UHFFFAOYSA-N 344.216 2.437 30 40 EEEB CCc1nc2ccccc2n1CC(=O)[C@H](C#N)C(=O)Nc1ccccn1 103717584 GEWFGBPAECBTIW-ZDUSSCGKSA-N 347.378 2.341 30 40 EEEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2c(C)nsc2NC)c1 58332171 SOTWHBIWQQZXHP-UHFFFAOYSA-N 342.424 2.185 30 40 EEEB C[N+]1(CC(=O)Nc2ccc(Br)cc2F)CCOCC1 3362610 USDOSIKBJJERML-UHFFFAOYSA-O 332.193 2.004 30 40 EEEB CNS(=O)(=O)c1cccc(C(=O)/C=C/c2cccc(C#N)c2)c1 48314875 CCIAQCHADBPZME-CMDGGOBGSA-N 326.377 2.362 30 40 EEEB N#Cc1ccc(OCC(=O)N[C@H](CC(=O)O)c2cccs2)cc1 13389428 HIWTVZGPAIEASA-CYBMUJFWSA-N 330.365 2.331 30 40 EEEB Cc1cc(F)c(S(=O)(=O)N(CCC#N)CC2CC2)cc1[N+](=O)[O-] 69982851 KWHIOYUSVMYRBO-UHFFFAOYSA-N 341.364 2.357 30 40 EEEB Cn1c(Nc2ccc(Oc3ccccc3)cc2)c(C#N)c(=O)n(C)c1=O 14204776 MADWBMOZRDSISF-UHFFFAOYSA-N 348.362 2.492 30 40 EEEB COC(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 83030886 WYAMDXVWXDPOQM-INIZCTEOSA-N 325.324 2.470 30 40 EEEB N#CCc1ccc(S(=O)(=O)N(CCCO)c2ccccc2)cc1 95448602 LCZJQSJSRZXIHZ-UHFFFAOYSA-N 330.409 2.330 30 40 EEEB CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1snc(C)c1C#N 333366137 DTLFTTBUCNLFHD-ZYHUDNBSSA-N 331.401 2.256 30 40 EEEB NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1 97317 LBZYOUNTVVPASW-GIJQJNRQSA-N 328.349 2.191 30 40 EEEB CN(C)c1ccnc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 97104063 OFUROMFFDPXUTN-UHFFFAOYSA-N 332.367 2.457 30 40 EEEB C[C@H]1CCCCN1S(=O)(=O)N(C)Cc1cc(C#N)ccc1F 30382587 BXKIEXMBQNOOKR-LBPRGKRZSA-N 325.409 2.248 30 40 EEEB C[C@H](C(=O)N(C)CCC#N)N1CCO[C@H](c2ccc(Cl)cc2)C1 52248189 FRVIKRXZTWPNKD-CJNGLKHVSA-N 335.835 2.474 30 40 EEEB O=C1CC[C@H](NC(=O)Nc2ccccc2C#Cc2ccccc2)CN1 78973417 JGRMBIXUBWULJL-KRWDZBQOSA-N 333.391 2.487 30 40 EEEB COc1cc(C(=O)OCC(=O)NCCC#N)ccc1OCCC(C)C 9177963 NFSWSDODNGLDBO-UHFFFAOYSA-N 348.399 2.307 30 40 EEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)C31CC1 13545876 BAOWMYTUKUMZDC-WPTVKGRQSA-N 337.335 2.126 30 40 EEEB C#CCOc1cccc(NC(=O)N2CCN(Cc3ccon3)CC2)c1 96434738 ZYOHZDPQWMRSMY-UHFFFAOYSA-N 340.383 2.036 30 40 EEEB Cc1ccc(N2CCC[C@H](NCCOc3ccccc3C#N)C2)nn1 71859792 DNDNFHFJFPBTJY-KRWDZBQOSA-N 337.427 2.294 30 40 EEEB CCCCn1/c(=N/C(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21 17751084 VMEUGXMETFIIRD-HEHNFIMWSA-N 349.394 2.077 30 40 EEEB N#Cc1ccc(N2CCC[C@](O)(c3cnn[nH]3)C2)cc1C(F)(F)F 583616919 ZCLTYMIRKGDTQE-CQSZACIVSA-N 337.305 2.183 30 40 EEEB C=CCOc1c(Br)cc(/C=N/NC(N)=S)cc1OC 13747418 VLOBNSNWEBOSHD-VIZOYTHASA-N 344.234 2.190 30 40 EEEB COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OC 11530867 LOJKESZLCNLWNO-KPZWWZAWSA-N 348.399 2.304 30 40 EEEB CSc1nc(C)c(C)c(N2CCN(c3ccc(C#N)nc3)CC2)n1 1888863954 LIJLSMJIDUIRHA-UHFFFAOYSA-N 340.456 2.409 30 40 EEEB CCCN1C(=O)/C(=N\n2cnc3ccccc3c2=O)c2ccccc21 6879382 UFQTULPVTVOCOO-FXBPSFAMSA-N 332.363 2.406 30 40 EEEB CCCc1nc(CN2CC[C@@H](CNc3ncccc3C#N)C2)no1 65531920 IFMVZODJVYAZKB-ZDUSSCGKSA-N 326.404 2.223 30 40 EEEB C=CCn1cnnc1S[C@@H](C(=O)NC(=O)NCC)c1ccccc1 6609536 FZIPWCVOEDRPPT-CYBMUJFWSA-N 345.428 2.143 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@H]2CCCO2)s1 69283266 MZDYCDVKQMHQOO-WDEREUQCSA-N 333.431 2.286 30 40 EEEB C#CCOc1ccc(CCNCc2cnc(N3CCCC3)nc2)cc1 69775055 ZAECXHOTTIRKRG-UHFFFAOYSA-N 336.439 2.421 30 40 EEEB CC/N=C(/NC[C@@H]1CCCO1)NC[C@H]1CCO[C@H]1c1ccccc1 95406378 RUAFYMVOKZLWSJ-SQNIBIBYSA-N 331.460 2.498 30 40 EEEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Cl)cc1 218337284 RTICLIAEWARKHG-KCQAQPDRSA-N 341.816 2.314 30 40 EEEB C[C@@](O)(CNc1cc(C#N)ccc1C(F)(F)F)CN1CCOCC1 125524843 NIHUWXICTUBCAO-OAHLLOKOSA-N 343.349 2.072 30 40 EEEB C[C@@H](NC(=O)COc1ccccc1C#N)[C@H](O)c1ccc(F)cc1 95430028 JYRKWVDNWUJBLU-XIKOKIGWSA-N 328.343 2.314 30 40 EEEB COc1cc(OC)cc(OCCNC(=O)N2CCC[C@@H](CC#N)C2)c1 595557044 DMYJFCYVODNOEX-AWEZNQCLSA-N 347.415 2.418 30 40 EEEB N#Cc1cccc(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 66457013 CBLUWUWSHFMESC-AWEZNQCLSA-N 340.358 2.163 30 40 EEEB C[C@@H](OCC1CC1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 69616061 DIYSXWQLASWVNY-CYBMUJFWSA-N 331.391 2.161 30 40 EEEB C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C(C)(C)C#N 72288471 ZKFZXIWZAGFIFA-NWDGAFQWSA-N 339.436 2.413 30 40 EEEB CC(C)N1C[C@H](/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)CC1=O 48417991 JIXPEPMLGUGGDB-SNVBAGLBSA-N 344.820 2.242 30 40 EEEB O=C(c1ccc2ccccc2n1)N1CCN(C/C(O)=N/C2CC2)CC1 24014124 CNLKAXSABHYWPV-UHFFFAOYSA-N 338.411 2.112 30 40 EEEB CC(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 30940657 RRVPGHIXKRTLNR-UHFFFAOYSA-N 340.408 2.180 30 40 EEEB COC(=O)c1ccc(/C=N/OCC(=O)NCc2ccc(F)cc2)cc1 2647015 XYDKDMZKERNYFR-SRZZPIQSSA-N 344.342 2.279 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1C(=O)c2ccccc2C1=O 2664226 CXCWHFSWXRVCLU-UHFFFAOYSA-N 325.349 2.245 30 40 EEEB COc1ccc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)cc1 4837486 QWOJWXSFJYJUAJ-LDADJPATSA-N 327.388 2.076 30 40 EEEB C[C@@H](Cc1cccc(F)c1)/C(O)=N/S(=O)(=O)c1cnn(C)c1 69284406 RHHDUEBCYDJHCZ-JTQLQIEISA-N 325.365 2.083 30 40 EEEB N#Cc1ccc(NC(=O)C(=O)NCC2(c3ccccc3F)CC2)cc1 72291076 CSEVTZRAHZUUTK-UHFFFAOYSA-N 337.354 2.484 30 40 EEEB N#CCc1ccc(OCC(=O)N2CCCC[C@@H]2Cn2cccn2)cc1 71865349 HPMYDGZFTUVNHS-QGZVFWFLSA-N 338.411 2.409 30 40 EEEB CC(=O)Nc1ccc(N/N=C2\C(=N)N(c3ccccc3)N=C2N)cc1 18207737 VTMPFFHSATWUGR-UXEVOBASSA-N 335.371 2.183 30 40 EEEB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 71903744 PUUHPEIJMCWLCI-NVXWUHKLSA-N 342.443 2.197 30 40 EEEB COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 222246422 SJTWWZJWUQMHCH-BIORGXGLSA-N 340.379 2.235 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(-c3ccccn3)no2)CC1 81314801 WVLJATASHSQADT-INIZCTEOSA-N 339.399 2.043 30 40 EEEB N#C[C@@H](NC(=O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCOC1 79921489 CJEVRHGXEWHGFD-TVQRCGJNSA-N 329.183 2.417 30 40 EEEB N#Cc1cccc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)n1 1775973915 POPTVCNLUFDZMU-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB C=CCN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 7991011 RCBCZQLPDWILLA-CYBMUJFWSA-N 348.200 2.085 30 40 EEEB COC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N\O 4837861 AFLYQPMYZODHAU-JQIJEIRASA-N 343.251 2.497 30 40 EEEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)CC(=O)N2 4944203 WSOCOXKNJJHWPM-NSHDSACASA-N 329.356 2.108 30 40 EEEB N#Cc1ccc(OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 12817184 UQFJLNFMFIIDBF-UHFFFAOYSA-N 332.363 2.439 30 40 EEEB CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccccc2C#N)c1 3414245 PRLRBGCLNHUGJT-UHFFFAOYSA-N 330.365 2.028 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2nnc(C3CC3)s2)cc1 4110339 XKPZXMSCVOBUFM-UHFFFAOYSA-N 338.414 2.439 30 40 EEEB Cc1nnc(N2CC[C@@H](CNc3ccc(C#N)cn3)C2)c(C#N)c1C 65496654 WWKKBOOHVBSWOH-HNNXBMFYSA-N 333.399 2.170 30 40 EEEB COc1ccc(-c2nc(CNC(=O)c3cccc(CC#N)c3)n[nH]2)cc1 69582674 BNCVYRMIOKYWFD-UHFFFAOYSA-N 347.378 2.476 30 40 EEEB N#CC1(C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)CCCCC1 69699940 JWJZGDIZEUJRSD-UHFFFAOYSA-N 341.411 2.151 30 40 EEEB COc1ccc(CN2C[C@H](C(=O)[C@H](C#N)c3ccccn3)CC2=O)cc1 71855185 RZCGJGSWAUVXJY-NVXWUHKLSA-N 349.390 2.315 30 40 EEEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2CCC2)CC1 71885582 AFFXYUCWNQBQDV-UHFFFAOYSA-N 326.356 2.255 30 40 EEEB CC(C)(C)NC(=O)N1CCC(NC(=O)c2cccc(CC#N)c2)CC1 95990216 XWBQGCJEZASRQB-UHFFFAOYSA-N 342.443 2.455 30 40 EEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccco1 104237412 MCQJYNGYJZACOC-IDTYTIONSA-N 344.367 2.246 30 40 EEEB C=CCn1cnnc1S[C@H](C(=O)NCc1cccnc1)C(C)C 50247329 HCWPFMRTIHXDCD-AWEZNQCLSA-N 331.445 2.292 30 40 EEEB O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCO[C@@H](CO)C1 79023176 KZJSDWWMGCRSSQ-LJQANCHMSA-N 336.391 2.311 30 40 EEEB COc1ccc(CCC(=O)[C@H](C#N)C(=O)N2CCCCC2)cc1OC 103502519 FLADZFQKVPDLBP-HNNXBMFYSA-N 344.411 2.358 30 40 EEEB NC(=O)c1ccc[n+](CC(=O)OCCC23CC4CC(CC(C4)C2)C3)c1 4853670 XAKZOYLDAOHPNY-UHFFFAOYSA-O 343.447 2.223 30 40 EEEB N/C(=N/Cc1nccn1CCCc1ccccc1)NC[C@H]1CCCO1 97013088 GHSZKTIEQQDYMS-QGZVFWFLSA-N 341.459 2.099 30 40 EEEB N#Cc1cnc2c(F)ccc(Cl)c2c1N[C@H]1CCS(=O)(=O)C1 48343063 ZRAXSURHIXDYNW-VIFPVBQESA-N 339.779 2.498 30 40 EEEB COc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)c(OC)c1OC 3907190 GXMWCXQARDDAAB-AWEZNQCLSA-N 344.371 2.182 30 40 EEEB Cc1cccc([C@H](C(=O)N2CCCn3nc(C#N)cc3C2)N(C)C)c1 65397349 NURZDTLZESFMOE-GOSISDBHSA-N 337.427 2.098 30 40 EEEB C=CCNC(=O)C1(NC(=O)c2cnc3onc(C)c3c2)CCCCC1 69389498 BXVVYPWRDXLLBB-UHFFFAOYSA-N 342.399 2.266 30 40 EEEB Cc1nnc(NCCCNC(=O)c2cccc(F)c2)c(C#N)c1C 71894522 UNGALYNNNKHZER-UHFFFAOYSA-N 327.363 2.336 30 40 EEEB COc1cccc(CC(=O)N2CCN(Cc3cccc(C#N)c3)CC2)c1 71832821 QQADQLZOCHNQFR-UHFFFAOYSA-N 349.434 2.454 30 40 EEEB C#CCOc1ccccc1CN(C)CC(=O)Nc1c(C)nn(C)c1C 69656968 RWEHBWRIEYRNBP-UHFFFAOYSA-N 340.427 2.119 30 40 EEEB CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(C)C 71915430 FYEOLGUVCCCWBF-JKSUJKDBSA-N 345.443 2.116 30 40 EEEB CC[C@H](CN/C(=N/C)NCc1cnn(C)c1)Oc1cccc(F)c1 95975026 QCNBXBVZXDESCZ-OAHLLOKOSA-N 333.411 2.082 30 40 EEEB CN1C(=O)C[C@@H](C(=O)Nc2cccc(F)c2C#N)[C@H]1c1cccnc1 76040731 HUAFCVLVEUVPFC-SJKOYZFVSA-N 338.342 2.250 30 40 EEEB Cn1c([C@H](C#N)C(=O)c2sccc2-n2cnnn2)nc2ccccc21 123042958 MEZVRROXARKYSN-SNVBAGLBSA-N 349.379 2.101 30 40 EEEB C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 195530441 LVVFCECIBYUMAR-MAUKXSAKSA-N 327.428 2.190 30 40 EEEB C[C@@]1(CO)CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1C#N 95442321 ZKSGKVSSMBKHKW-KBPBESRZSA-N 328.821 2.041 30 40 EEEB N#C[C@]1(C=O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242592433 OUMAVHIWOYLFNU-BBWFWOEESA-N 329.352 2.474 30 40 EEEB C[C@@H]1CCC[C@H](NC(=O)COC(=O)COc2ccc(C#N)cc2)[C@@H]1C 4994197 AUBMZDATDBAYQC-CPUCHLNUSA-N 344.411 2.421 30 40 EEEB N#Cc1ccccc1CN1CCC(C(=O)NC[C@@H]2CCCO2)CC1 27620347 HFOXTBDFEXXGDM-SFHVURJKSA-N 327.428 2.065 30 40 EEEB Cc1ccc(C(=O)[C@@H](C#N)C(=O)C2CCN(C(=O)N(C)C)CC2)s1 102763776 GKBKMJADOUBOHR-ZDUSSCGKSA-N 347.440 2.342 30 40 EEEB N#CCCNC(=O)CN1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 58330038 NYULTMUUKNJJHS-MOPGFXCFSA-N 340.471 2.145 30 40 EEEB N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 8745997 FTXNEQUSOJAWEN-MRXNPFEDSA-N 347.378 2.343 30 40 EEEB CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)n[nH]c1=O 14244026 BBVFEZNGNBTFEA-NSHDSACASA-N 345.428 2.362 30 40 EEEB COCCN(C)C(=O)[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 95413172 NJRGQYIBRGTPEI-OAHLLOKOSA-N 333.407 2.014 30 40 EEEB CC(C)n1nc2c(cc1=O)CN(CCOc1cccc(C#N)c1)CC2 76065024 PITZYIYFXIJZTQ-UHFFFAOYSA-N 338.411 2.133 30 40 EEEB C[C@H]1CCN(S(=O)(=O)CCCC#N)CCN1Cc1ccccc1 96433538 JKLVHXHRKXQDHY-INIZCTEOSA-N 335.473 2.216 30 40 EEEB N#C[C@H](C(=O)CCS(=O)(=O)C1CCCC1)c1nc2ccccc2[nH]1 48813464 RVEFCLMZTOMXPS-CYBMUJFWSA-N 345.424 2.487 30 40 EEEB C=CCN1C(=S)N(c2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 8059705 RVMLRNABIGJCIT-LSDHHAIUSA-N 336.482 2.062 30 40 EEEB C=CCc1c(O)nc(SCC(=O)Nc2ccccc2C)[nH]c1=O 502327 HRBVCLACAAYVOV-UHFFFAOYSA-N 331.397 2.243 30 40 EEEB C[C@](C#N)(NC(=O)CSc1nccn1Cc1ccccn1)C1CC1 79037908 FVBOVKRBIVXCLY-QGZVFWFLSA-N 341.440 2.227 30 40 EEEB C/N=C(/NCc1nc(C)no1)NCc1ccccc1OC(F)(F)F 79345589 NBNKYUYMIUNKRI-UHFFFAOYSA-N 343.309 2.142 30 40 EEEB CC(=O)c1cccc(NC(=O)C[C@H]2S/C(=N/CC(C)C)NC2=O)c1 6563734 YCXMVODGDPHAMT-CQSZACIVSA-N 347.440 2.461 30 40 EEEB C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 4554875 LMERFQUKCYCPHQ-GOSISDBHSA-N 325.389 2.497 30 40 EEEB CCCCN(CCCC)S(=O)(=O)/N=C(\O)c1cnn(C)c1C 78556636 WNRSTLMCYFLYSB-UHFFFAOYSA-N 330.454 2.180 30 40 EEEB CN(C)c1ncccc1NS(=O)(=O)c1ccc(C#N)cc1Cl 195573245 HDIJDCWSXPLZDI-UHFFFAOYSA-N 336.804 2.473 30 40 EEEB C#CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 49031833 DLXNMEMQLFXDLN-ZDUSSCGKSA-N 327.833 2.391 30 40 EEEB Cc1c(CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc(C#N)n1C 97143332 SRODFPZIYQWDKV-KRWDZBQOSA-N 331.441 2.081 30 40 EEEB CS(=O)(=O)c1ccc(-c2noc(-c3ccc(C#N)cn3)n2)cc1 78803053 LQJTUAWSEXRAGQ-UHFFFAOYSA-N 326.337 2.074 30 40 EEEB C=CCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 12747763 QAGCGXNTHXWISQ-ZDUSSCGKSA-N 339.395 2.209 30 40 EEEB CCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C)ccc1OC(C)C 4368055 LUHKODREWZPOBU-RQZCQDPDSA-N 331.376 2.105 30 40 EEEB N#Cc1cc(NCCC(=O)N2CCOCC2)ccc1C(F)(F)F 97085243 JQVLIVCYICFJLX-UHFFFAOYSA-N 327.306 2.238 30 40 EEEB C[C@H](NC1(CN=C(N(C)C)N(C)C)CCOCC1)c1ccccc1 97012223 JMMTYJGYBHULQS-INIZCTEOSA-N 332.492 2.366 30 40 EEEB Cc1cc(N2CCN(c3snc(Cl)c3C#N)CC2)nc(C)n1 67370253 BIIZEZBYPBOUAS-UHFFFAOYSA-N 334.836 2.402 30 40 EEEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)CCc1ccccc1 71803635 HJNZNIYBOAOHKB-UKRRQHHQSA-N 341.429 2.100 30 40 EEEB CN(C)c1ncccc1C(=O)N1CCCN(c2ccccc2C#N)CC1 71820918 PUPYAAQMQWLMMX-UHFFFAOYSA-N 349.438 2.372 30 40 EEEB Cc1cccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)c1 19973722 SCIRJUYNSMNMBJ-UHFFFAOYSA-N 342.399 2.178 30 40 EEEB C=CCNC(=O)CN(CC(=O)N1CCCCC1)c1cccc(C)c1 69769031 FLEMOQKDJGDVPQ-UHFFFAOYSA-N 329.444 2.116 30 40 EEEB CN(c1cccnn1)C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 95986312 HDCXEFZFMBXCBE-UHFFFAOYSA-N 336.399 2.481 30 40 EEEB Cc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1N1CCOC1=O 76092563 ZTFUQKPYZGIYCL-GOSISDBHSA-N 344.415 2.418 30 40 EEEB C#CC1(O)CC(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)C1 1615586366 LSNJXRMSVBUEOF-VZDIAYEVSA-N 331.412 2.436 30 40 EEEB C=CCn1c(SCCCS(=O)(=O)NC)nc2ccccc21 70022086 RPHLVBUYNGWTKM-UHFFFAOYSA-N 325.459 2.254 30 40 EEEB Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC#N)n1 5573455 YEEXJAPSGWUKCL-UHFFFAOYSA-N 337.383 2.041 30 40 EEEB Cc1ncsc1C(=O)NC1CCN(c2ncccc2C#N)CC1 50955008 TZSWUGMUOBRZCL-UHFFFAOYSA-N 327.413 2.117 30 40 EEEB N#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1 47502240 KVPNZFVDMRQRFP-UHFFFAOYSA-N 337.257 2.283 30 40 EEEB C=CCn1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 10148849 PFEDKOWMWMYGPX-UHFFFAOYSA-N 340.299 2.280 30 40 EEEB COc1ccc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)cc1 12880003 DIEXVYMOMLQSEX-SXGWCWSVSA-N 339.347 2.484 30 40 EEEB biogenic NC(=O)c1ccc(CS/C(N)=N/c2ccc3c(c2)OCCO3)cc1 11158191 VZIAJAQBYQVIPH-UHFFFAOYSA-N 343.408 2.436 30 40 EEEB C=CCn1cnnc1SCc1cc(=O)n2cc(Cl)ccc2n1 19357315 BIWWSPYZEHCDDL-UHFFFAOYSA-N 333.804 2.418 30 40 EEEB CCN(CC)C(=O)[C@H]1CSCN1C(=O)/C=C/c1ccccc1C#N 65594827 NHFQRVXHTBWVOG-ZNFPLGDCSA-N 343.452 2.341 30 40 EEEB CCO/C=N/c1c(C#N)cnn1-c1nc(C)c(C(=O)OCC)s1 4770874 NKWXEFCLLABDOD-LZYBPNLTSA-N 333.373 2.382 30 40 EEEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 4716204 REEHKSYZWDRCPQ-CQSZACIVSA-N 341.327 2.204 30 40 EEEB C[C@@H]1CN(Cc2cc(C#N)ccc2F)CCN1Cc1nccn1C 70020919 PPWPIPRKWQDPOJ-CQSZACIVSA-N 327.407 2.137 30 40 EEEB C#CCOc1c(I)cc(OC)cc1C(=O)O 225280806 UKCHYWQQMPEDCV-UHFFFAOYSA-N 332.093 2.010 30 40 EEEB Cc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])c(C#N)c2)n1 97104625 RDUPCQPVIJQHDR-UHFFFAOYSA-N 325.328 2.245 30 40 EEEB CCc1nn(C)c(CC)c1CN/C(=N/C)NC[C@@H](C)c1ccncc1 96484705 FXGHQDLXKSDZAX-CQSZACIVSA-N 342.491 2.409 30 40 EEEB N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCCO3)C2)c(F)c1 252477736 UXKIKJSORPORDC-LSDHHAIUSA-N 346.406 2.144 30 40 EEEB C=CCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 66149349 LKBJUHSDRCGULL-UHFFFAOYSA-N 325.771 2.133 30 40 EEEB C=CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)OC)C1=O 1149510 CHJXJHAFJSVRDO-UKTHLTGXSA-N 333.365 2.461 30 40 EEEB CCOC(=O)COc1ccccc1/C=C1\C(=O)N(CCC#N)N=C1C 5796156 GVPGRKKCNTYCOF-PTNGSMBKSA-N 341.367 2.144 30 40 EEEB COc1ccc(OC)c(/N=C2/NCC(=O)N2Cc2ccccc2)c1 4131086 DRVCWUWLDBBCPB-UHFFFAOYSA-N 325.368 2.323 30 40 EEEB C=CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 5418861 NJZRJNBNHSZFOW-UHFFFAOYSA-N 342.424 2.168 30 40 EEEB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(C#N)cc2)c1 32912604 AEUSKOSVFLNBEF-INIZCTEOSA-N 341.367 2.431 30 40 EEEB N#C[C@H](C(=O)CCc1ccc2c(c1)OCO2)C(=O)Nc1ccccn1 104055741 YTDZLQHSQOHDJE-CYBMUJFWSA-N 337.335 2.090 30 40 EEEB C=CCn1c(C)nn(CN2CCC[C@@H](NC(=O)OCC)C2)c1=S 54518195 YMGRGFVARQUESB-CYBMUJFWSA-N 339.465 2.077 30 40 EEEB N#Cc1cccnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 26758102 PAYVJLZOUTZYLQ-UHFFFAOYSA-N 336.395 2.047 30 40 EEEB Cc1sc(NC(=O)CSc2nnc(N)s2)c(C#N)c1C 4510483 BESDMUYVWIAYHV-UHFFFAOYSA-N 325.444 2.401 30 40 EEEB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)Nc1sccc1C#N 69621391 HVHFEDQVZHCUHN-GJZGRUSLSA-N 346.456 2.034 30 40 EEEB CC/N=C(/NCCCc1cnn(C)c1)NCc1sc(C)nc1C 95965071 AMWULNLIUOPJOK-UHFFFAOYSA-N 334.493 2.181 30 40 EEEB O=S(=O)(/N=C(\O)CCCn1cccn1)c1ccc(F)c(F)c1 78556487 TXVWKVSWDXGIBJ-UHFFFAOYSA-N 329.328 2.287 30 40 EEEB CCC[C@H](C)CS(=O)(=O)/N=C(\O)[C@H]1CCCN(C(=O)C2CC2)C1 79029234 BYLGNOGMVURYOE-JSGCOSHPSA-N 344.477 2.358 30 40 EEEB C/N=C(\NC)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 195546220 FROWYBBHAVLMJL-SECBINFHSA-N 335.761 2.127 30 40 EEEB N#Cc1ccc(O[C@H]2CN(C(=O)CC3CC3)Cc3cccn3C2)nc1 247748572 QXTWOCGOHLTCMA-QGZVFWFLSA-N 336.395 2.345 30 40 EEEB O=c1[nH]c2c([nH]c3ccc(F)cc32)c(=O)n1/N=C/c1ccc(F)cc1 13569875 VDKJCZUVPJTUQD-DNTJNYDQSA-N 340.289 2.332 30 40 EEEB N#Cc1nccnc1N1CCC(CNC(=O)[C@H]2CC=CCC2)CC1 206603941 FHRIRSMNEBRRBG-HNNXBMFYSA-N 325.416 2.037 30 40 EEEB CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917233 JZEZLAAJRKPOFM-CEKSULEVSA-N 346.467 2.377 30 40 EEEB biogenic,in-vitro COc1cccc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1 162475 HYQDNPKFGWAMAV-UHFFFAOYSA-N 336.307 2.361 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)NCC[S@](=O)CC)cc1OC 72283748 CUPWFCBLNYCRJI-WCYCAPIHSA-N 337.441 2.158 30 40 EEEB C#CCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccco1 58215187 CHNFAGRLTOZQKM-UHFFFAOYSA-N 339.395 2.055 30 40 EEEB CN(C)c1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100227932 CYIRFOHUIPKUIU-RHPVINTLSA-N 335.407 2.140 30 40 EEEB Cn1c(S)nc2cc(C(=O)Nc3cccc(C#N)c3)ccc2c1=O 11373127 KECREGPGSUUPTG-UHFFFAOYSA-N 336.376 2.346 30 40 EEEB Cc1ccc(C(=O)NC/C(O)=N/S(=O)(=O)c2ccccc2)s1 48403812 IRIHJGWUHXUSIH-UHFFFAOYSA-N 338.410 2.132 30 40 EEEB COc1cc(/C=N/Nc2nn3cnnc3c3ccccc23)ccc1O 4206037 JMVHIGRVULAARF-GIJQJNRQSA-N 334.339 2.438 30 40 EEEB CN(C)c1ncnc2c1CN(CCCOc1ccc(C#N)cc1)CC2 97202335 HQTDGIUFHOAERC-UHFFFAOYSA-N 337.427 2.241 30 40 EEEB Cc1oc(NC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)c(C#N)c1C 72270657 BKCALXKWRZMMSJ-CYBMUJFWSA-N 327.388 2.309 30 40 EEEB CCNC(=S)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1 34877398 SQEDCVWKYDWGAY-MLPAPPSSSA-N 331.195 2.175 30 40 EEEB C=CCn1c(CCN2CCN(Cc3ccccc3)CC2)n[nH]c1=S 41689978 WQGXQYAMQRZTHM-UHFFFAOYSA-N 343.500 2.487 30 40 EEEB C=C(Cl)CNC(=O)N1CCCN(c2nc(CC)ns2)CC1 96440445 CJROJNRQVMCPAV-UHFFFAOYSA-N 329.857 2.075 30 40 EEEB N#Cc1cccc(OC[C@@H]2CO[C@@H]3CN(C4CCOCC4)C[C@H]23)c1 96217200 VFWRQANCKRDCTE-ATZDWAIDSA-N 328.412 2.063 30 40 EEEB N#Cc1ccc(O[C@@H]2CN(C(=O)CC3CC3)Cc3cccn3C2)nc1 247748570 QXTWOCGOHLTCMA-KRWDZBQOSA-N 336.395 2.345 30 40 EEEB C#CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40506385 OMPBZQYWQQTBRX-CYBMUJFWSA-N 325.195 2.347 30 40 EEEB Cc1csc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 206601299 ZPLWPAZAJXKPBC-UHFFFAOYSA-N 341.440 2.365 30 40 EEEB N#CCCN(C(=O)COc1ccc(C(N)=O)cc1)c1ccc(F)cc1 31673368 UOSSCIVPQKKATJ-UHFFFAOYSA-N 341.342 2.250 30 40 EEEB C[C@@H](CC#N)N1CCN(C(=O)c2ccc(Br)o2)CC1 53609287 MWQPMFSYTHOPTF-JTQLQIEISA-N 326.194 2.102 30 40 EEEB CC(=O)NCCC(=O)N1/C(=N\CCc2ccccc2)SCC1(C)C 105084253 VDKUNVCCJNWVKL-LVZFUZTISA-N 347.484 2.465 30 40 EEEB COc1ccc(C(=O)N2CCN([C@H](C#N)C3CCCCC3)CC2)cn1 57234799 OCLIXMBWFBZPIC-QGZVFWFLSA-N 342.443 2.320 30 40 EEEB C=CC[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)OCC)[C@@H]3C=C[C@]21O3 100617020 SWEOKISNCSPDIY-HAJKQMQPSA-N 339.391 2.481 30 40 EEEB N#Cc1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)cc1 58424720 CKVDELWDPIIIKA-UHFFFAOYSA-N 327.428 2.133 30 40 EEEB CCc1nn(C[C@@H](O)c2cc(F)ccc2F)c(=O)c(C#N)c1CC 83817736 LWYCTEABBXDOGO-MRXNPFEDSA-N 333.338 2.252 30 40 EEEB C=CCCO[C@H](C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 65532719 ITUIRVBEYDZARF-QGZVFWFLSA-N 345.487 2.031 30 40 EEEB N#Cc1ncn(CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 14142971 ZBSJXKGOFLJFTH-UHFFFAOYSA-N 333.351 2.367 30 40 EEEB CC(C)Cn1cnc(S(=O)(=O)/N=C(\O)c2ccccc2F)c1 96008075 AUSLNNIGJJULJD-UHFFFAOYSA-N 325.365 2.372 30 40 EEEB C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1 4816335 VTVLZSDUUBBENI-UHFFFAOYSA-N 348.413 2.306 30 40 EEEB CCc1cc(N(C)CC(=O)N(C)C)n2c(nc3ccccc32)c1C#N 8338085 KPKKXNQUCOENRC-UHFFFAOYSA-N 335.411 2.446 30 40 EEEB Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C#N)cn1C(C)(C)C 72271656 BDGHVPYCZCPQFB-UHFFFAOYSA-N 330.348 2.167 30 40 EEEB COc1ccc(C#N)cc1COc1ccc(O[C@H](C)C(N)=O)cc1 89369117 LDYJDPHZOIJEPG-GFCCVEGCSA-N 326.352 2.398 30 40 EEEB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(N)=S)cc2)cc1 408755930 NVTFDJVOJLTJAA-VXLYETTFSA-N 342.424 2.180 30 40 EEEB Cn1cc(CN2CC[C@@]3(C[C@H](Nc4cccc(C#N)c4)CO3)C2)cn1 96218873 DYIABHPWKCEFNE-RBUKOAKNSA-N 337.427 2.137 30 40 EEEB CCOC(=O)N1CCC[C@H](C(=O)Oc2ccc(C#N)cc2OC)C1 24758637 DNWKCDDWIFGLCC-ZDUSSCGKSA-N 332.356 2.341 30 40 EEEB CC(C)(C)CCS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 330780557 DVINVUYIWDOKMY-QGZVFWFLSA-N 349.500 2.462 30 40 EEEB N#Cc1ccc(CN2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 21406964 NBVUOAUSSHTGMW-HXUWFJFHSA-N 348.450 2.293 30 40 EEEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C)CC(=O)N2 4944194 YUMDZXKWWHLIKD-LBPRGKRZSA-N 325.393 2.278 30 40 EEEB N#Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 23596698 ZWMNXFUUBLPKEY-MRXNPFEDSA-N 341.436 2.423 30 40 EEEB C[C@H](CO)C1=C(O)C(=O)C2=C(C[C@@H](O)[C@H]3C(C)(C)CCC[C@]23C)C1=O 100643842 KSXQZHNLPHBARZ-KHIQDQAISA-N 348.439 2.473 30 40 EEEB C=CCn1cnn(CN(C)Cc2ccc(C(=O)NC)cc2)c1=S 14251274 UUNSSSLVZJYWRO-UHFFFAOYSA-N 331.445 2.049 30 40 EEEB N#Cc1ccc(OCCCN2CCCC[C@@H]2Cn2cncn2)cc1 69659246 RXSHIJPWQNRXLU-QGZVFWFLSA-N 325.416 2.473 30 40 EEEB O=S(=O)(/N=C(\O)c1cccs1)N1CCc2sccc2C1 71859314 FTVKHEKATCGGKQ-UHFFFAOYSA-N 328.440 2.417 30 40 EEEB Cc1sc(NC(=O)CN(C)C2CCS(=O)CC2)c(C#N)c1C 89558736 JCOWBLKOCNMVTE-UHFFFAOYSA-N 339.486 2.018 30 40 EEEB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(N)=S)c1C 33668624 DNKWSOLQGDGQML-GIJQJNRQSA-N 330.413 2.048 30 40 EEEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)ccc1O 40287935 ZNPUQHKSUUOOKE-KRWDZBQOSA-N 336.351 2.491 30 40 EEEB Cc1cnc([C@@H](C)/N=C(/O)c2cc(S(=O)(=O)N(C)C)oc2C)o1 330713556 RHLJPVZAPJKSMH-SECBINFHSA-N 341.389 2.201 30 40 EEEB N#Cc1cc(C(F)(F)F)ccc1NCCN1CCCS1(=O)=O 96466563 WCYAPXOLNIUTPS-UHFFFAOYSA-N 333.335 2.024 30 40 EEEB N#CC1(NC(=O)c2cnc(Br)c(Br)c2)CC1 585126302 VSKHHEVERDCDNZ-UHFFFAOYSA-N 344.994 2.393 30 40 EEEB C#CCCCC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 585126156 QKSQDZFOJIUYBU-HSZRJFAPSA-N 335.429 2.143 30 40 EEEB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(CC#N)c1 67732351 JYJLZAZYACAHCP-AWEZNQCLSA-N 331.441 2.182 30 40 EEEB CCOc1nnc(CN2CCN(Cc3ccc(C#N)cc3)CC2)s1 71826856 XBARGBAQXZMOKD-UHFFFAOYSA-N 343.456 2.126 30 40 EEEB C[C@H]1CN(c2nccc(C#N)n2)CCN1Cc1ccc(F)cc1F 2086928911 QFMIYDXNMUHKDB-LBPRGKRZSA-N 329.354 2.337 30 40 EEEB Nc1nnnn1/N=C/c1cn(Cc2ccccc2F)c2ccccc12 10337240 YDXRHZDYRNFFMH-AWQFTUOYSA-N 335.346 2.280 30 40 EEEB N#CCCN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 20732484 GSYCWTWEYGXMQR-MRXNPFEDSA-N 346.818 2.478 30 40 EEEB CCN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc(C#N)cc1F 52825240 DIZRPLPBYIAVIJ-UHFFFAOYSA-N 346.406 2.240 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 8708735 OGXWFQJCTVLACD-UHFFFAOYSA-N 345.399 2.208 30 40 EEEB CCNS(=O)(=O)[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C1 97163658 GAIKQDLZSGCXTO-LLVKDONJSA-N 347.362 2.095 30 40 EEEB C=C(Br)CSc1nnc(SCC(N)=O)s1 48833967 CEINXZVWPXOXMY-UHFFFAOYSA-N 326.266 2.116 30 40 EEEB COc1ccc(/C=N/CCCNS(=O)(=O)c2ccccc2)cc1 9226772 SGFAUZOMVJLBJF-NBVRZTHBSA-N 332.425 2.483 30 40 EEEB N#CCC(=O)Nc1ccc(C(=O)OCc2nccn2C(F)F)cc1 14094344 KSYBIHBQPNGOAM-UHFFFAOYSA-N 334.282 2.487 30 40 EEEB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 65512982 CGTIVEKPOVTBMR-UHFFFAOYSA-N 343.408 2.358 30 40 EEEB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#N)c1 5443764 CATGZOXEZYVSJG-UHFFFAOYSA-N 343.408 2.369 30 40 EEEB C=C(C)CN(CC)C(=O)COC(=O)c1ccn(-c2ccccc2N)n1 70040520 PSENIPOFPZBBFC-UHFFFAOYSA-N 342.399 2.036 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1 71867378 KTPGLDIPJNYBFI-SFHVURJKSA-N 333.391 2.482 30 40 EEEB C/N=C(\NCC1CC1)NC1CCN(c2cc(OC)cc(OC)c2)CC1 95973884 PDEAPKHYDHXHMH-UHFFFAOYSA-N 346.475 2.248 30 40 EEEB C#CCOc1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1 75134419 VXHVDEMTMCIZBL-UHFFFAOYSA-N 343.404 2.496 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(N)C#N)cc1 218505254 GSILCGDVBPSOLJ-IKGGRYGDSA-N 330.384 2.295 30 40 EEEB C=CCN1C(=O)C(=O)N(CC(=O)c2cccc(Cl)c2Cl)C1=O 225776755 IKSOSUPOMRQMTN-UHFFFAOYSA-N 341.150 2.153 30 40 EEEB C1CC[C@@H](C/N=C(/NCc2nc(C3CC3)no2)NC2CCCC2)OC1 195564382 GGJOVFBCCPORFZ-HNNXBMFYSA-N 347.463 2.494 30 40 EEEB C[C@@H]1OCC[C@]1(C)N/C(O)=N/C1CCN(C(=O)c2ccccc2)CC1 329406516 CDBWEDYKNLBLRW-LIRRHRJNSA-N 345.443 2.362 30 40 EEEB Cc1ccc(CNC(=O)c2cc(C#N)c[nH]2)c(O[C@H]2CCOC2)c1 95412266 DMJIFOYNXRUMOO-HNNXBMFYSA-N 325.368 2.293 30 40 EEEB CO/N=C1/C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c2ccsc21 5714128 CNAYTPAPGSFYRW-NRKMXEHJSA-N 339.417 2.184 30 40 EEEB C=CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2272035 JCIQROIKDWGLSM-KAMYIIQDSA-N 341.323 2.261 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccccc1 408529015 ZLRSWOTZMJFVLH-DDHJSBNISA-N 325.368 2.272 30 40 EEEB N#Cc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1 22765875 FIAXAPFMWZJQGK-QGZVFWFLSA-N 341.436 2.423 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCOC(C)C)[C@@H]1c1ccc(O)cc1 40357826 LJXGIURCNFJGCW-MRXNPFEDSA-N 333.384 2.492 30 40 EEEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc2c(c1)OCO2 14143640 NSNIZGOYNLALBV-UHFFFAOYSA-N 349.350 2.169 30 40 EEEB N#Cc1ncn(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1 14143324 IXVLMUFWDAWJOY-UHFFFAOYSA-N 334.364 2.163 30 40 EEEB N#Cc1ccc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1 7286638 CEXFFHAZQICLGP-UHFFFAOYSA-N 340.408 2.277 30 40 EEEB CN(CCOc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 81097956 GPYBSABMHZXHOL-IRXDYDNUSA-N 336.457 2.225 30 40 EEEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CC(F)(F)F)cc1 69453820 LKKXKYRUFRPLCW-LLVKDONJSA-N 343.330 2.351 30 40 EEEB C[C@@H](Sc1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 69775188 YGNGZKYKPYGPAZ-MRVPVSSYSA-N 331.319 2.427 30 40 EEEB N#C[C@@H](NC(=O)CNC(=O)c1cc(F)cc(F)c1)c1ccccc1F 97162747 ZQTVCALBIBPUBK-OAHLLOKOSA-N 347.296 2.215 30 40 EEEB COc1cccc([C@@H](O)C(=O)N[C@H](C#N)c2ccc(F)cc2F)c1 95979330 LWQJBBYMNLUUOV-HZPDHXFCSA-N 332.306 2.388 30 40 EEEB CN(c1ccc(CC(=O)Nc2cccc(C#N)c2)cc1)S(C)(=O)=O 225975219 QPTILNUGLBSAGQ-UHFFFAOYSA-N 343.408 2.135 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccccn4)C3)C2)n1 96047679 QSNYGAQTCLOBFJ-PKOBYXMFSA-N 335.411 2.194 30 40 EEEB CN1CCC[C@H]1c1cc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)n[nH]1 1631012290 NRDXFMSIICCMGZ-HNNXBMFYSA-N 335.371 2.177 30 40 EEEB Nc1nonc1/C(=N\OC(=O)Nc1ccccc1)N1CCCCC1 545321 LBGLKYKJNROCEU-XSFVSMFZSA-N 330.348 2.048 30 40 EEEB COc1cc2c(cc1/C=C/C(=O)[C@H]1C(=O)C=C(C)OC1=O)O[C@@H](C)C2 103404924 PFMMDCNRVMMRPK-CYIOKZJCSA-N 342.347 2.247 30 40 EEEB C[C@@H](c1ccccc1)N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N 11904244 ULBVILPRMQFVRX-LBPRGKRZSA-N 346.390 2.196 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)NCc1nncn1-c1ccccc1 89518676 LDOSCJXACVMPPD-AWEZNQCLSA-N 347.378 2.223 30 40 EEEB COc1ccc(OC)c(/C=N\N2CCN(c3ccccn3)CC2)c1 5720308 FAONJDKDGDEDJA-ZHZULCJRSA-N 326.400 2.255 30 40 EEEB N#Cc1ccsc1NC(=O)COC(=O)Cn1cnc2ccccc21 12659035 GRNDPIGCULGLQS-UHFFFAOYSA-N 340.364 2.151 30 40 EEEB O=c1[nH]c2ccccc2c(=O)n1C/C(O)=N/Cc1cccc(Cl)c1 424145 SATCKBIDTXUGQJ-UHFFFAOYSA-N 343.770 2.500 30 40 EEEB CC(C)n1ncc2c1NC(=O)[C@@H]([N+](=O)[O-])[C@H]2c1ccc(F)c(F)c1 100254898 NVGXCEDMBWDLAC-STQMWFEESA-N 336.298 2.472 30 40 EEEB COc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1O 103883560 LZELKOBSHKJZAN-GBFVGTAJSA-N 346.770 2.195 30 40 EEEB COCc1ccc(/C(O)=N/S(=O)(=O)c2sc(C)nc2C)o1 83150462 HJCJXLAVFPDCTK-UHFFFAOYSA-N 330.387 2.193 30 40 EEEB C=CCN1C(=O)N/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 409132375 OHOPQTADZLNARV-RVDMUPIBSA-N 337.335 2.254 30 40 EEEB N#Cc1c(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)sc2c1CCCC2 69834840 MXSPGXIKWQZIET-SNVBAGLBSA-N 329.425 2.448 30 40 EEEB N#Cc1c(NC[C@H](Cc2ccc(F)cc2)C(N)=O)nc2ccccn12 97082471 PTCIHMOBHIAHLM-ZDUSSCGKSA-N 337.358 2.101 30 40 EEEB CCn1cc(/C(O)=N/c2ncnn2C)c(=O)c2cc(Cl)ccc21 97114186 TYFSQCZPFRSDBW-UHFFFAOYSA-N 331.763 2.440 30 40 EEEB CC(C)S(=O)(=O)N1CC[C@H](NCc2cccc(C#N)c2)[C@@H](C)C1 72300625 DOQVORJTTOOIBW-YOEHRIQHSA-N 335.473 2.096 30 40 EEEB COCCNC(O)=C1C=CC(=NS(=O)(=O)c2cccs2)C=C1 409415984 LUTVMHQIGGPFGA-UHFFFAOYSA-N 340.426 2.009 30 40 EEEB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(C#N)C=O 225642557 MBXACVAIKIXSNJ-JHJVBQTASA-N 342.214 2.058 30 40 EEEB CN(C)c1cccc(/C(O)=N/S(=O)(=O)c2cnn(CC3CC3)c2)c1 330032925 UYEXUWLILPUCHT-UHFFFAOYSA-N 348.428 2.053 30 40 EEEB Cc1ccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)s1 85470669 QFHJGKZXCWWZAA-UHFFFAOYSA-N 348.493 2.470 30 40 EEEB COC(=O)Cc1ccc(OS(=O)(=O)c2ccccc2C#N)cc1 22455786 OOZLRUMWSRSYBA-UHFFFAOYSA-N 331.349 2.041 30 40 EEEB Cc1nn(C)c(C)c1CCC(=O)NCCNc1cccc(F)c1C#N 42715025 XGZTTXCEJPJFAN-UHFFFAOYSA-N 343.406 2.209 30 40 EEEB C=CCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)O)C2)c(OC)c1 13171003 WHTPPYQEUBIGKF-CQSZACIVSA-N 333.384 2.126 30 40 EEEB Cc1n[nH]c(=O)nc1N/N=C(\C(=O)c1ccccc1)c1ccccc1 3947151 GRRYUMKSDLGNKJ-QNGOZBTKSA-N 333.351 2.172 30 40 EEEB C#CCCN1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 66810989 OZXMDLVUNUJCDP-UHFFFAOYSA-N 333.439 2.173 30 40 EEEB C=C(C)CN1CCC(NC(=O)NC[C@@](C)(O)c2ccc(C)o2)CC1 76086959 ZKZGZFRNWBMUBW-GOSISDBHSA-N 335.448 2.135 30 40 EEEB O=C1Oc2ccccc2C(=O)/C1=C/N1CCN(c2ccccc2)CC1 32540508 UPWRWFNGPWEQHY-VKAVYKQESA-N 334.375 2.494 30 40 EEEB CCc1nn(C[C@@H]2COc3ccccc3O2)c(=O)c(C#N)c1CC 585081083 JCTWDPXGSNHFKP-GFCCVEGCSA-N 325.368 2.080 30 40 EEEB CCCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CCCCC1 602086139 PNTJFGVQUYQYME-UHFFFAOYSA-N 346.431 2.172 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CCC2 72242455 NTYAPKQXUHUOKT-UHFFFAOYSA-N 342.424 2.380 30 40 EEEB N#CCCN1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 19892993 JZSCMVUIJWLLTO-SQFISAMPSA-N 326.425 2.188 30 40 EEEB O=C(NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccco1 58327328 LMTLLSGJJKTENJ-KRWDZBQOSA-N 336.391 2.442 30 40 EEEB Cc1ccc(C(=O)NCCNC(=O)c2cccc(C#N)c2)cc1F 13014619 DZRGVTTWOCIWCY-UHFFFAOYSA-N 325.343 2.166 30 40 EEEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)NCc2ccco2)cs1 39577655 IHZJYLCISFUWBG-SNVBAGLBSA-N 335.385 2.196 30 40 EEEB N#CCOc1ccccc1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 409147642 YFXOMVADKZGGFB-VAYDLGAXSA-N 335.363 2.120 30 40 EEEB Cc1cc(C)n(C[C@@H]2CN(CCOc3ccccc3C#N)CCO2)n1 69349911 IWEZQCLSMZVLCF-SFHVURJKSA-N 340.427 2.151 30 40 EEEB Cn1cc(C(=O)OCC(=O)NC2(C#N)CCCC2)c2ccccc21 5703714 DBJGNQLMVSFTOI-UHFFFAOYSA-N 325.368 2.288 30 40 EEEB Cn1cccc1/C=N/NS(=O)(=O)c1ccc(Br)cc1 36288190 TVSKEUHOPGMFID-NTEUORMPSA-N 342.218 2.100 30 40 EEEB C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnnn1C 71888005 DMMRQHYDOGWWKE-SNVBAGLBSA-N 348.457 2.335 30 40 EEEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCc1ccco1 217438106 UNZJOKZTRBGNPX-UHFFFAOYSA-N 336.369 2.054 30 40 EEEB C=CCN(CC=C)C(=O)Cn1cc(COc2ccccc2OC)nn1 227160490 UWBNKULJVCIPOB-UHFFFAOYSA-N 342.399 2.066 30 40 EEEB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)/N=C(\O)c1ccoc1 96502369 TXAOZRGCVLDGQE-UHFFFAOYSA-N 325.390 2.442 30 40 EEEB N#Cc1cccnc1N1C[C@@H]2CN(c3ncnc4c3CCCC4)C[C@H]2C1 2086954098 ORJQVNUXAFMALA-HZPDHXFCSA-N 346.438 2.195 30 40 EEEB CCN(CC)c1nc2sc(C(=O)[C@@H](C#N)C(=O)NC)cc2s1 103275586 KYUKSBNNDZOANF-MRVPVSSYSA-N 336.442 2.272 30 40 EEEB CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 72275919 QPHUUXWEZPJQBP-UHFFFAOYSA-N 336.804 2.473 30 40 EEEB C=CCn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccccc1 3485266 RZBPRSZAIAOVDQ-UHFFFAOYSA-N 342.424 2.372 30 40 EEEB N#CCCCS(=O)(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95984243 RRVUABHBMFWLRC-KGLIPLIRSA-N 328.821 2.393 30 40 EEEB C[C@H](NC[C@@H]1CCCn2ccnc21)C(=O)NC1(C#N)CCCCC1 89448595 FRFPIHRDEQHXIL-GJZGRUSLSA-N 329.448 2.081 30 40 EEEB C=CCOC[C@H]1c2nnn(CC)c2CCN1C(=O)c1cc(C)[nH]c1C 96068765 ZAXJFIOMUVVDRQ-INIZCTEOSA-N 343.431 2.185 30 40 EEEB N#Cc1cccc(NC(=O)COCc2nc(-c3cccnc3)no2)c1 96182108 CTCJECFRODLGKD-UHFFFAOYSA-N 335.323 2.159 30 40 EEEB CN1C(=O)C[C@H](CNc2nc3c(cc2C#N)CCC3)[C@H]1c1cccnc1 591951722 LAVCEXHOGGAQNC-VQIMIIECSA-N 347.422 2.468 30 40 EEEB N#Cc1cccc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 107362718 DNJPJFPTOWEYCP-WOJBJXKFSA-N 347.418 2.284 30 40 EEEB N#Cc1c(CCCNC(=O)C2CCC2)nn(-c2ccc(F)cc2)c1N 31118848 CVKCOCORURUEEL-UHFFFAOYSA-N 341.390 2.314 30 40 EEEB COc1ncccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 40539854 BMYQDIPYRQFBTH-UHFFFAOYSA-N 337.383 2.212 30 40 EEEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cnn(Cc3ccccc3)c2)C(=O)O1 101006962 UGYBOUFCZMJYNG-DVBCCOPCSA-N 336.347 2.160 30 40 EEEB C=C(Br)CNC(=O)[C@H]1CSCN1C(=O)/C(C)=C/CC 101395633 REIZJTDFMBEFIC-FZPLPXEFSA-N 347.278 2.269 30 40 EEEB COc1cccc(CC(=O)NCCNc2cccc(F)c2C#N)c1 47332709 IEIIXPUBJHVVRD-UHFFFAOYSA-N 327.359 2.477 30 40 EEEB CN(C)[C@@H]1CCOC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 108536331 IWPBRZCNRJRZAI-QGZVFWFLSA-N 327.428 2.274 30 40 EEEB N#C[C@H](C(=O)NC[C@@H]1CCCO1)C(=O)C1(c2ccc(F)cc2)CCC1 48977139 WQFGDMUDALDISQ-HOTGVXAUSA-N 344.386 2.251 30 40 EEEB Cc1nn(-c2ccccc2)cc1C(=O)NCCNc1ncccc1C#N 69413897 FVZQJBHDEUAWIJ-UHFFFAOYSA-N 346.394 2.289 30 40 EEEB CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CCO[C@@H]2CCC[C@@H]21 95397365 ALZPUNJGZKZWPI-ZWKOTPCHSA-N 345.418 2.299 30 40 EEEB N#Cc1cccc(C(=O)N2C[C@H](OCc3ccccn3)[C@H]3COC[C@H]32)c1 96185110 HIKJLCBLVHLFKA-OTWHNJEPSA-N 349.390 2.009 30 40 EEEB Cc1nc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cs1 96119260 GGKRAGQEACWJIF-UHFFFAOYSA-N 328.397 2.402 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(O)(Cc2ccncc2)CC1 585092365 RZGSBJGVYWWNBS-UHFFFAOYSA-N 338.367 2.435 30 40 EEEB N#C[C@@H]1CN(C(=O)CCc2cccnc2)CCN1Cc1ccccc1 74673832 OKUPDOYUBZPOSF-LJQANCHMSA-N 334.423 2.251 30 40 EEEB CCc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc(SC)n1 1888863610 ZTVNLQGGZUMZCF-UHFFFAOYSA-N 340.456 2.354 30 40 EEEB CCN(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C[C@H]1CCCO1 40468286 CFFSSLTUOGYBHD-OAHLLOKOSA-N 332.448 2.436 30 40 EEEB Cc1cc(C)n2nc(CCCNC(=O)NC[C@@H]3C[C@H]3C)c(C#N)c2n1 47066017 XMAJUAHWZQXBDQ-RISCZKNCSA-N 340.431 2.106 30 40 EEEB COc1ccc(C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)cc1OC 103503870 RNZJBXQSHMTNDX-CQSZACIVSA-N 330.384 2.475 30 40 EEEB CO/N=C/Nc1nc2nccc([C@@H](C)Oc3cccc(OC)c3)n2n1 3134393 CNZDLMMQPBELOV-LLVKDONJSA-N 342.359 2.275 30 40 EEEB C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)Oc2ccccc2C#N)c1 58201865 KGWWGSGSAFZPCW-AWEZNQCLSA-N 347.374 2.062 30 40 EEEB C=CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)O 72328117 STWYABQAGYYQAY-UHFFFAOYSA-N 346.412 2.130 30 40 EEEB C=CCN(C(=O)Nc1ccc(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 95446533 JXBDCHDOSYXFPT-CYBMUJFWSA-N 338.429 2.211 30 40 EEEB C#CCN(C1CCCCC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 65625819 QIZBGCJZIXCIIZ-UHFFFAOYSA-N 346.456 2.233 30 40 EEEB C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)CCCCC#N)C1 68898451 LWCFRPFPMPZYOU-GJZGRUSLSA-N 329.510 2.356 30 40 EEEB N#Cc1ccc(/C=N\N2CCN(/N=C\c3ccc(C#N)cc3)CC2)cc1 31670192 QAVBCVHVDILAKT-MPKYGIEOSA-N 342.406 2.416 30 40 EEEB C[C@H]1CCCN(/C(N)=N/CCCS(=O)(=O)Cc2ccccc2)C1 195529970 XDKQQLYHWYEDSP-HNNXBMFYSA-N 337.489 2.038 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 96421230 IIOAPMVQELCBLC-UHFFFAOYSA-N 343.364 2.434 30 40 EEEB C=CCN(Cc1cc(Br)ccc1F)C(=O)CC(=O)NC 97097246 NUABYWBHLIFWLF-UHFFFAOYSA-N 343.196 2.239 30 40 EEEB Cc1cc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)no1 585141437 VWIYCBDHFJMUIF-UHFFFAOYSA-N 347.415 2.250 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccsc2)CC1 40512070 DCPRWHRMCXKWCT-UHFFFAOYSA-N 328.397 2.448 30 40 EEEB N#Cc1ccc(CN2CCCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 21406959 NBVUOAUSSHTGMW-FQEVSTJZSA-N 348.450 2.293 30 40 EEEB C=CC[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)OCC)[C@H]3C=C[C@@]12O3 485850 SWEOKISNCSPDIY-QOSLBHJFSA-N 339.391 2.481 30 40 EEEB biogenic C#CCN(CC(F)(F)F)C(=O)c1cccc(C(=O)NCCC)c1 71921730 SZOYCMLKRIZJRJ-UHFFFAOYSA-N 326.318 2.464 30 40 EEEB COc1ccc(-c2noc(=O)n2Cc2ccc(C#N)cc2)cc1OC 58355177 JPVLISBYVOLKKX-UHFFFAOYSA-N 337.335 2.440 30 40 EEEB N#CCOc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1 5274785 PIRMTDWYODATLG-UHFFFAOYSA-N 347.378 2.159 30 40 EEEB N#Cc1ccc(NC[C@@H]2CCN(CC(=O)NCc3ccccc3)C2)nc1 65512123 MEAXEZJBTBEMCY-SFHVURJKSA-N 349.438 2.003 30 40 EEEB COC(=O)c1ccc(N(Cc2ccc(C#N)cc2)S(C)(=O)=O)cc1 65587273 GBNUIUXRMSMGMW-UHFFFAOYSA-N 344.392 2.311 30 40 EEEB CN(C)CCN(Cc1cccc(C#N)c1)c1ccc2nccnc2n1 95413850 SGWRPZPRDWQDFZ-UHFFFAOYSA-N 332.411 2.465 30 40 EEEB Cc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(F)c(C#N)c1 89689202 HZWZZVQOCXIQAO-MRXNPFEDSA-N 334.372 2.018 30 40 EEEB CC(C)C(=O)NCCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 76081850 WZGDDGSOQZOWEU-UHFFFAOYSA-N 342.321 2.471 30 40 EEEB CCc1cnc(CCNS(=O)(=O)Cc2cccc(C#N)c2)s1 96428662 JPCNYIMSENQDJG-UHFFFAOYSA-N 335.454 2.239 30 40 EEEB Cc1nn(-c2ccccc2)cc1CCCNS(=O)(=O)CCCC#N 585139823 TUAANLCFMWULEA-UHFFFAOYSA-N 346.456 2.337 30 40 EEEB N#Cc1ccc(NCc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])c1 12824204 RYCYMNLJYJGTPS-UHFFFAOYSA-N 339.355 2.310 30 40 EEEB O/C(CN1CCC[C@H]1Cn1cccn1)=N\c1nnc(C2CC2)s1 19714137 QNPURRHQDWLSEU-LBPRGKRZSA-N 332.433 2.365 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(Cl)=C2)cc1[N+](=O)[O-] 102628650 MQMNCTUEVCCILX-OQLLNIDSSA-N 340.744 2.295 30 40 EEEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)O1 3299573 KSFFOZCUBWSLPM-KQIUPUNMSA-N 335.699 2.476 30 40 EEEB N#Cc1ccc(OCCOC(=O)c2ccc(Cn3cncn3)cc2)cc1 14148320 OURQKEFXMQSIEF-UHFFFAOYSA-N 348.362 2.434 30 40 EEEB COc1ccc(C2CC(=O)C(=C3N[C@H]4CCCC[C@@H]4N3)C(=O)C2)cc1 9287829 RTXBEJBENSJEGR-HOTGVXAUSA-N 340.423 2.426 30 40 EEEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1CC 4681270 JBIVCGFYVVJKPP-QIVXWBPLSA-N 349.412 2.053 30 40 EEEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)NCc2ccco2)cc1 69706490 MITCHWNVJXDSSX-UHFFFAOYSA-N 349.412 2.207 30 40 EEEB C#CCOc1ccc(CCNCc2ccc(S(C)(=O)=O)cc2)cc1 69775002 UTOCGTIAHJEDOF-UHFFFAOYSA-N 343.448 2.434 30 40 EEEB CC[C@@H](NCCCSCC#N)c1cccc(S(N)(=O)=O)c1 95462594 MJLVXMSJUROMQA-CQSZACIVSA-N 327.475 2.022 30 40 EEEB C=C(Cl)CS(=O)(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 195578846 QWENNEMAYZSISZ-CQSZACIVSA-N 333.812 2.406 30 40 EEEB C=CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@]1(C)O 245232030 NWUXBZWNOPUFOF-YEWWUXTCSA-N 346.358 2.039 30 40 EEEB CS(=O)(=O)[C@@H]1C[C@@]1(C#N)COc1ccc([N+](=O)[O-])c2ccccc12 1616034650 KYINWTVAEKRAEU-HZPDHXFCSA-N 346.364 2.454 30 40 EEEB C#CCNC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12158418 UKXQWVNIRUJYNY-INIZCTEOSA-N 344.386 2.255 30 40 EEEB COc1cc(/C=N/Nc2nnn[nH]2)ccc1OCc1ccc(F)cc1 16214645 GILKSRADBGPUMF-GIJQJNRQSA-N 342.334 2.372 30 40 EEEB N#Cc1ccnc(O[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 575612232 JWVMIAKVVGGWPI-OAHLLOKOSA-N 343.408 2.185 30 40 EEEB C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 6156807 ODYSOIBJTDPGMU-SNVBAGLBSA-N 342.804 2.193 30 40 EEEB CC(=O)C1=C(O)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 8553113 OACSUKAIVHQATB-YESZJQIVSA-N 333.340 2.439 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(CCOc2cc(C)ccc2C)c1 25963254 CPQUVRBAMWWYRZ-UHFFFAOYSA-N 326.352 2.202 30 40 EEEB Cc1ccc(/C(O)=N/S(=O)(=O)c2cncc(Br)c2)o1 49135852 REZHPKSRRMCOFS-UHFFFAOYSA-N 345.174 2.439 30 40 EEEB C#CCOCCC(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 93245442 PCVXDFRSIRGAMT-CABCVRRESA-N 341.329 2.380 30 40 EEEB CCc1nc(SCC(=O)N2CCOCC2)c(C#N)c2c1CCCC2 9246871 USRCPNIZNNVPKJ-UHFFFAOYSA-N 345.468 2.345 30 40 EEEB COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C#N)c1C 4537730 AJXHHTZHLVYSLA-UHFFFAOYSA-N 335.297 2.468 30 40 EEEB C=CCn1c(SCC(=O)N2CCNC2=O)nnc1C1CCCCC1 6589582 TVMNSDWWJQEHAQ-UHFFFAOYSA-N 349.460 2.156 30 40 EEEB COC(=O)[C@H](C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 69586160 LXDOIZWZTSGJOR-JTQLQIEISA-N 335.791 2.176 30 40 EEEB CCOCCC/N=C(/NCCCOCC)NCCc1ccccn1 72283452 AKNDQJDIXOMYMM-UHFFFAOYSA-N 336.480 2.013 30 40 EEEB C=C(C)CN1CCC(NC(=O)NC[C@](C)(O)c2ccc(C)o2)CC1 76086963 ZKZGZFRNWBMUBW-SFHVURJKSA-N 335.448 2.135 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2cc(F)ccc2C)c(=O)c1C#N 408598897 CIJVRTCXIDRPJA-UHFFFAOYSA-N 343.358 2.261 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc([N+](=O)[O-])cc1Cl 409405932 IVNYFTOXQDUMCF-LBLXLQPISA-N 345.742 2.389 30 40 EEEB CC/N=C(/NCc1nncn1C)NCC1(c2ccccc2)CCCC1 79349216 JDEVAMPPEBRDLI-UHFFFAOYSA-N 340.475 2.382 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccncc4)C3)C2)n1 96047687 UTBCJBAQCXVQNV-HKUYNNGSSA-N 335.411 2.194 30 40 EEEB CCNc1ncc(S(=O)(=O)N[C@@H](C)CC#N)cc1C(F)(F)F 1615045995 OKSUAEXBFYCOOQ-QMMMGPOBSA-N 336.339 2.113 30 40 EEEB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 84259193 XPUZPJHDSPCWHD-SFHVURJKSA-N 338.411 2.478 30 40 EEEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 9064014 UZJGLUGBSIAKGG-UHFFFAOYSA-N 339.376 2.456 30 40 EEEB Cc1cc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)no1 44591020 JOGWXASKKPKAHO-YJBOKZPZSA-N 327.384 2.432 30 40 EEEB CC(C)C[C@@H](C(=O)NC(C)(C)C#N)N1C(=O)c2ccccc2C1=O 62161341 AYDXFMUZXYFBEW-AWEZNQCLSA-N 327.384 2.116 30 40 EEEB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 65553442 ZVZFTUUHCMSEMD-UHFFFAOYSA-N 347.371 2.248 30 40 EEEB N#Cc1ncn(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 14143231 RWMSVKHOSFTPPR-UHFFFAOYSA-N 328.332 2.051 30 40 EEEB N#Cc1ncn(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 14143589 WGMMYRNWAPAWLR-UHFFFAOYSA-N 327.678 2.043 30 40 EEEB CCn1nnnc1S[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 16461404 RILVELYXBLMXKG-QMMMGPOBSA-N 336.808 2.337 30 40 EEEB CC(C)C[C@@H](C#N)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 69817163 LGVGLAVPWHRVFF-ZDUSSCGKSA-N 341.333 2.490 30 40 EEEB N#Cc1ccc(N2CC[C@H](N3CCC[C@H](c4ccn[nH]4)C3)C2=O)cc1 72271004 FOSDYDWZCZPGIS-YJBOKZPZSA-N 335.411 2.266 30 40 EEEB Cc1c(C#N)c(NS(=O)(=O)c2ccc(OC(C)C)cc2)nn1C 585129553 NKLDWUGSZBMQKM-UHFFFAOYSA-N 334.401 2.188 30 40 EEEB N#CC1(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)CCOCC1 262105762 NMSNDWXSWCSLPO-UHFFFAOYSA-N 338.747 2.062 30 40 EEEB N#Cc1cc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)ccc1F 575187088 CHCGEAWMSFKVLM-HNNXBMFYSA-N 339.374 2.471 30 40 EEEB N#C[C@@H](NC(=O)c1ccc(F)c(Br)c1)[C@H]1CCOC1 79921625 HUEJRMVAVBUTIT-JOYOIKCWSA-N 327.153 2.247 30 40 EEEB C=CCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 19946595 PMEBUNJJSHOGTC-UHFFFAOYSA-N 344.436 2.493 30 40 EEEB CCOc1cc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccco2)ccc1O 808112 OUWPJEXJEJSCSO-AWEZNQCLSA-N 329.308 2.250 30 40 EEEB Cc1noc2ncc(C(=O)NCCNc3cccc(F)c3C#N)cc12 58406763 SAPZVGJYKKPILP-UHFFFAOYSA-N 339.330 2.384 30 40 EEEB CCCn1c(=O)[nH]c2cc(S(=O)(=O)/N=C(\O)[C@@H](C)CC)ccc21 48574460 YNNXOKICYBUQCT-JTQLQIEISA-N 339.417 2.431 30 40 EEEB Cc1cc(S(=O)(=O)N(CCC#N)C[C@H]2CCOC2)ccc1F 65626759 SJTDBRHMPYNEJG-CYBMUJFWSA-N 326.393 2.075 30 40 EEEB N#C[C@H](C(=O)c1cscn1)c1nc(N)nc(Nc2ccccc2)n1 72270925 GAQSTOHIMWDXQX-SNVBAGLBSA-N 337.368 2.144 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 71870391 XMIRUZDMSYIKOS-XIRDDKMYSA-N 327.428 2.411 30 40 EEEB CC(C)c1nnnn1CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 76093460 XZDQLLHIPNGGSQ-OAHLLOKOSA-N 340.431 2.475 30 40 EEEB N#Cc1ccc(COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1 409225608 RJPXXWNKXZPKTB-UHFFFAOYSA-N 332.315 2.345 30 40 EEEB N#Cc1cccc(CN2CCc3ncc(Cn4cccn4)n3CC2)c1 96196940 QFKQOGYPQDSJNV-UHFFFAOYSA-N 332.411 2.058 30 40 EEEB Cc1ccc(N2CCCN(C(=O)c3sccc3C#N)CC2)nn1 69491539 PRQSUPLJDUHHKU-UHFFFAOYSA-N 327.413 2.071 30 40 EEEB CCN(C[C@@H]1CN(Cc2ccc(C#N)cc2)CCO1)c1cccnn1 84774648 NSAMIBLOYXQMBW-SFHVURJKSA-N 337.427 2.076 30 40 EEEB CC1(C)OB(c2cc(O)ccc2I)OC1(C)C 198548168 QLZQKMXNNCBLSI-UHFFFAOYSA-N 345.973 2.296 30 40 EEEB in-vitro C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 12759359 CKVRMNRJTYGEBT-BBRMVZONSA-N 349.456 2.187 30 40 EEEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C 120693 QICQYDHYBAJOBF-JYRVWZFOSA-N 327.336 2.274 30 40 EEEB CC(=O)N1CCCc2cc(S(=O)(=O)OCC(F)(F)F)ccc21 70827974 SRMRZDYQAYRBIW-UHFFFAOYSA-N 337.319 2.253 30 40 EEEB Cc1cc([C@H]2CCCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n[nH]1 107505782 JPOWTANSJZRTNB-DLBZAZTESA-N 340.427 2.209 30 40 EEEB N#CCCN(Cc1ccco1)C(=O)c1cc2c([nH]c1=O)CCCC2=O 58377158 ZAUUEXVOYHMPJS-UHFFFAOYSA-N 339.351 2.043 30 40 EEEB COc1cccc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c1 12860889 QMSJLOZIQQEUJE-PXNMLYILSA-N 325.320 2.176 30 40 EEEB biogenic C#CCCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 68444526 KVQHMGKODNMPSX-UHFFFAOYSA-N 336.439 2.270 30 40 EEEB CNC(=O)c1c(C)cccc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 81156311 WEFUKYGSMNNFSI-QGZVFWFLSA-N 348.406 2.444 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(N2CCCC2=O)c(F)c1 95395540 VWOBNHPXQUQMFK-GOSISDBHSA-N 346.406 2.419 30 40 EEEB CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H](NC(=O)OC)C(C)C 95394040 CEZNAISIHLETFH-HNNXBMFYSA-N 335.379 2.426 30 40 EEEB N#Cc1csc(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)c1 95439890 BRMTYROVZUTDIK-GFCCVEGCSA-N 330.365 2.327 30 40 EEEB N#Cc1nccnc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 76023055 UALQBQSUXCYELR-UHFFFAOYSA-N 338.302 2.109 30 40 EEEB CCOC(=O)[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)CC 218335982 ASDRLYUVPXOQNJ-IPYPFGDCSA-N 341.816 2.314 30 40 EEEB C/N=C(\NCc1cccc(N(C)C)n1)NC[C@@H]1CCO[C@H]1C(C)(C)C 96484698 SQCLPYHZKKOXCM-WMLDXEAASA-N 347.507 2.264 30 40 EEEB CC[C@H](C#N)S(=O)(=O)NCC1(c2ccc(C)cc2)CCOCC1 95439680 TVGHAXNEYWEPKN-MRXNPFEDSA-N 336.457 2.265 30 40 EEEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 95915226 LBDWQOGLKVUGDZ-PUSDIMDNSA-N 338.454 2.088 30 40 EEEB COc1ccccc1OCC#CCNS(=O)(=O)c1ccccc1F 90610435 FHOYAVKUHOZWEC-UHFFFAOYSA-N 349.383 2.195 30 40 EEEB O=S(=O)(/N=C(\O)[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1 48406220 JXTPSKKRDYKBOU-CYBMUJFWSA-N 346.412 2.038 30 40 EEEB Cc1nc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)oc1C 97053855 BHSITBICKMURKC-UHFFFAOYSA-N 325.777 2.295 30 40 EEEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc3c(c2)OCO3)c1 2631191 WJNORQAJMQEDCW-RQZCQDPDSA-N 332.381 2.345 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1C=C[C@@H]2C12CC2 100060133 MDGVFZYSSMDXTB-ACLZLYKJSA-N 337.335 2.126 30 40 EEEB O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccco1)c1ccc(F)cc1 15109805 QZXSWQXTLRYDLG-OAHLLOKOSA-N 345.326 2.379 30 40 EEEB Cn1nccc1[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 78440868 LYJMHOOIWCBDMV-VQIMIIECSA-N 349.438 2.277 30 40 EEEB C#Cc1cccc(NC(=O)Cn2cc(Br)ccc2=O)c1 47527973 LPCMGSKDTQQOSI-UHFFFAOYSA-N 331.169 2.231 30 40 EEEB N#CCc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 8126032 CYLCMSRQYCVJQZ-UHFFFAOYSA-N 333.347 2.377 30 40 EEEB C/N=C(\NCc1sc(C)nc1C)NC[C@H]1COc2ccccc2O1 95963854 CJSWGHOOKUIMTL-ZDUSSCGKSA-N 346.456 2.265 30 40 EEEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(\O)C1=Cc2ccccc2OC1 71892444 OCKMFAAKLKUQJQ-AWEZNQCLSA-N 337.397 2.318 30 40 EEEB C=CCN1CCN([C@H](CC)c2nnnn2Cc2cccs2)CC1 20141779 IKPGNGYMFXXXOA-OAHLLOKOSA-N 332.477 2.038 30 40 EEEB COc1cc(OCC(=O)Nc2cccc(C#N)c2)ccc1[N+](=O)[O-] 22259475 GBXVAFWALIVCGT-UHFFFAOYSA-N 327.296 2.493 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)N(CC)CCc2nccs2)c1 124959058 IWGKJHSRXZTOCG-UHFFFAOYSA-N 327.409 2.154 30 40 EEEB Cc1nc2n(n1)[C@H](c1ccc3c(c1)OCCO3)C1=C(CCCC1=O)N2 72471333 ZXBUCJBUMKMSOY-QGZVFWFLSA-N 338.367 2.380 30 40 EEEB C[C@@H]1CC(=O)C2=C(CC[C@]3(O)[C@@H]2C(=O)c2cccc(O)c2[C@H]3O)C1 253390017 CRULJZWXPCYLAC-PLOQAOLYSA-N 328.364 2.059 30 40 EEEB biogenic,in-vitro CCOC(=O)/C(=N/Nc1ccc(SC(F)F)cc1)C(=O)C#N 1554503328 DBQHAHRDTUBTPO-WOJGMQOQSA-N 327.312 2.425 30 40 EEEB N#C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(OCc2ccccc2)cc1 104393947 HJLBXFPUIUGEEB-QZTJIDSGSA-N 349.390 2.225 30 40 EEEB N#Cc1ncn(CC(=O)Nc2nc(-c3ccccc3)cs2)c1C#N 97379820 GAAWWYWDGPRCGB-UHFFFAOYSA-N 334.364 2.389 30 40 EEEB CN(Cc1ccccc1C#N)S(=O)(=O)Cc1ccccc1C#N 12733811 IMHLMFIFLRTSLF-UHFFFAOYSA-N 325.393 2.392 30 40 EEEB CCCc1nnc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)s1 12778933 BQNBDCBYNFQUQN-UHFFFAOYSA-N 345.428 2.239 30 40 EEEB N#CC1(NC(=O)CN2CCc3c(ncn3C3CC3)C2)CCCCCC1 95373408 WZWVDDHASGXAHQ-UHFFFAOYSA-N 341.459 2.309 30 40 EEEB CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1C=O 72233788 GXVOIJWTXUNBIQ-HNNXBMFYSA-N 348.399 2.443 30 40 EEEB COC(=O)[C@](C)(NC(=O)COc1ccc(C#N)cc1)c1ccccc1 65552705 RGYJHJRWUCBJEG-LJQANCHMSA-N 338.363 2.142 30 40 EEEB N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 71874477 AEGVWISMLSZOAP-UHFFFAOYSA-N 347.352 2.409 30 40 EEEB CN(CCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] 96421222 KLZPLSFYGKUBCT-UHFFFAOYSA-N 345.380 2.330 30 40 EEEB CC[C@H]1CN(C(=O)C2(C#N)CCOCC2)CCN1Cc1ccccc1 185332992 RASZQPOHEIWQBN-SFHVURJKSA-N 341.455 2.430 30 40 EEEB COC(=O)c1cc(CNC(=O)NCC#Cc2ccccc2)oc1C 48415690 QEOOVZKYAPOIHO-UHFFFAOYSA-N 326.352 2.226 30 40 EEEB C=CCCC(=O)N(CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 65566078 XGNGSRGUQSGPNS-UHFFFAOYSA-N 345.399 2.255 30 40 EEEB N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCSCC2)c([N+](=O)[O-])c1 71904189 CANVIZJARDFYRH-CQSZACIVSA-N 346.412 2.011 30 40 EEEB COc1cccc([C@@H](O)C(=O)N[C@@H](C#N)c2ccc(F)cc2F)c1 95979328 LWQJBBYMNLUUOV-JKSUJKDBSA-N 332.306 2.388 30 40 EEEB CS(=O)(=O)c1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 63485076 YJVKTMVYWIFBIN-UHFFFAOYSA-N 343.408 2.041 30 40 EEEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3)C2=O)c1 408526513 CSBZWDLKUNRTSV-HNNXBMFYSA-N 337.335 2.297 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccccc1F 408528050 QMJSOEIVWDHQHE-UUIJZJDISA-N 343.358 2.411 30 40 EEEB COc1ncc(Cl)c(N2CCCN(c3ncccc3C#N)CC2)n1 95426119 ZOFZGXKXBRJDND-UHFFFAOYSA-N 344.806 2.122 30 40 EEEB CC(=O)N1C[C@@H](Nc2nc(C)cc(C#N)n2)CC[C@H]1C(F)(F)F 583616858 ZTRGIYVYCSCCKN-JQWIXIFHSA-N 327.310 2.010 30 40 EEEB O=C(Cc1cccs1)NCC#CCOc1ccc2c(c1)OCO2 90730804 VGZZVZUAFRFLBP-UHFFFAOYSA-N 329.377 2.218 30 40 EEEB COc1cc(/C=C2\S/C(=N/C(C)=O)NC2=O)cc(Cl)c1O 5726020 IGSRDIPQFFKCTN-YHYXMXQVSA-N 326.761 2.161 30 40 EEEB COC(=O)c1ccc(/C=N/OCC(=O)NCc2ccccc2C)cc1 24034887 WTZGCUGYWJELCR-SRZZPIQSSA-N 340.379 2.449 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(C(=O)C4(F)CCC4)C3)C2)n1 1565549347 PVMJABJIWMRTKL-YOEHRIQHSA-N 344.390 2.017 30 40 EEEB C[C@@H](O)c1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2)s1 225689434 BSGXVTRADFPDDR-LLVKDONJSA-N 336.438 2.194 30 40 EEEB CO/N=C/Nc1nc2nccc([C@@H](C)Oc3ccc(F)cc3)n2n1 3134300 QOVUJDBECGTHGK-SNVBAGLBSA-N 330.323 2.405 30 40 EEEB CC[C@H](C)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 42844039 OZLBTHZVJVFROM-ZDUSSCGKSA-N 340.431 2.356 30 40 EEEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)C12C3[C@@H]4C5CC([C@@H]41)[C@@H]2[C@@H]53 102318537 ZQQVKCRFFOXSQC-YQPLTRCDSA-N 328.437 2.407 30 40 EEEB N#Cc1ccc(OCCN2CCN(c3cc(C#N)ccn3)CC2)cc1 29445568 IWPNILLUBLDSQU-UHFFFAOYSA-N 333.395 2.026 30 40 EEEB Cc1ccc([C@H](NC(=O)Cn2cnnc2C#N)c2cccs2)cc1 8987215 IIOPXVSTIMPXOX-KRWDZBQOSA-N 337.408 2.426 30 40 EEEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2 6275377 BKOUJTNGDCBRKT-ATVHPVEESA-N 332.381 2.426 30 40 EEEB N#Cc1ccc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)nn1 96002413 BMMIYVMUMVUKNT-CQSZACIVSA-N 335.346 2.173 30 40 EEEB N#Cc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2Cn2cccn2)cc1 71875234 SIJJJVFNOBBWPR-MSOLQXFVSA-N 340.427 2.049 30 40 EEEB C=C(C)CN(C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 97047964 RGWGGVIPJUQIAQ-UHFFFAOYSA-N 344.459 2.307 30 40 EEEB N#CC1(CS(=O)(=O)NCc2cc(F)ccc2Br)CC1 97144299 XQRHFGWADZVAAV-UHFFFAOYSA-N 347.209 2.311 30 40 EEEB CCc1nc(CN/C(=N/C)NC[C@@H]2COc3ccccc3O2)cs1 78254579 SPNKTISBCMTPOL-CYBMUJFWSA-N 346.456 2.211 30 40 EEEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)CO)cc1 218346541 XILCKBKWOVHBSH-KZNAEPCWSA-N 327.405 2.437 30 40 EEEB Cc1cc(=O)nc(N=C(N)Nc2ccc(SC(F)F)cc2)[nH]1 12512242 GMTXCKYCXRQXHB-UHFFFAOYSA-N 325.344 2.451 30 40 EEEB COc1cccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@@H]2[N+](=O)[O-])c1 100254748 WUZFJKDTBRHJSJ-ZIAGYGMSSA-N 330.344 2.202 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 24193328 QCGGQSNNMQOVIA-UHFFFAOYSA-N 347.418 2.451 30 40 EEEB Cc1sc(NC(=O)CN2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)c(C#N)c1C 107358965 AKEVBBXQMMXTAI-BYNSBNAKSA-N 331.441 2.284 30 40 EEEB Cn1nccc1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)F)cc1 95401551 RTZDMIVBHBDWOM-QPJJXVBHSA-N 340.351 2.355 30 40 EEEB C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc2c(c1)CCCC2 12892264 CHAIHLBMJBWCML-LBPRGKRZSA-N 338.411 2.008 30 40 EEEB C=CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 3552930 VNZAEZRJIQADBA-SNVBAGLBSA-N 336.413 2.042 30 40 EEEB C#CCNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 48845451 HCAYYSJDWXIBJL-VIFPVBQESA-N 339.189 2.214 30 40 EEEB N#C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl 66394717 OWIUYOGBBBVJLZ-KWQFWETISA-N 347.223 2.109 30 40 EEEB CN(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C1(C#N)CCC1 66336120 NNTFYWMERQIZLU-UHFFFAOYSA-N 338.411 2.308 30 40 EEEB Cc1cccc([C@@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(C#N)cc2)c1 69570291 YUFANVGBOBJBOX-IRXDYDNUSA-N 340.404 2.475 30 40 EEEB N#CCS(=O)(=O)N(Cc1csc(Br)c1)C1CC1 95439845 FGRJOTNNSUVJLJ-UHFFFAOYSA-N 335.248 2.328 30 40 EEEB Cc1cc(C)n(-c2ccc(NCC(=O)N(C)CCC#N)cc2F)n1 88524729 FGYKSEDXOOVXLA-UHFFFAOYSA-N 329.379 2.412 30 40 EEEB COc1ccc(-c2nnn(Cc3cc(F)ccc3C#N)n2)cc1OC 96467946 YNUIBFSRIGWXRP-UHFFFAOYSA-N 339.330 2.416 30 40 EEEB C=CCN1C[C@@H]2CN(Cc3cccnc3)CCC[C@]2(C(=O)OCC)C1 96055979 AWDLPGATYJIXRZ-ICSRJNTNSA-N 343.471 2.345 30 40 EEEB CCNc1cc(N)[n+](CC)c2[nH]nc(/N=C\c3ccccc3O)c12 15022563 HQXAYHMYYHAJHU-UHFFFAOYSA-O 325.396 2.341 30 40 EEEB C#CCNC(=O)c1ccc(NCCn2c(C)nc3ccccc32)nc1 79029384 AXVFMNFVSDBVFY-UHFFFAOYSA-N 333.395 2.215 30 40 EEEB C=CCn1c(=O)c2ccccc2n2c(SCCOCC)nnc12 3430846 PVQDSMTXNGZQCQ-UHFFFAOYSA-N 330.413 2.359 30 40 EEEB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)COc1ccccc1C#N 13148244 CQNJJFGUVGHYNW-OKILXGFUSA-N 330.384 2.270 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1/C=N\[C@@H]1C[C@H]2CC[C@H]1C2 408526821 GTIYEWDDRJFJLI-KUIGFXBBSA-N 343.358 2.284 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 6307982 WUQJSILQSFLEMY-ZDUSSCGKSA-N 333.369 2.117 30 40 EEEB C=CCN/C(=N\C)NC1CCN(c2cc(OC)cc(OC)c2)CC1 97021265 YAMNWDRWDOKISN-UHFFFAOYSA-N 332.448 2.024 30 40 EEEB CN1CCCC[C@@H]1CCN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 69150402 ISPZONPJCPNRFQ-APWZRJJASA-N 340.427 2.200 30 40 EEEB COc1ccc(NC(=O)CCSc2ncc(C#N)c(N)n2)cc1 69457392 ZBWDAYCRHTUQHQ-UHFFFAOYSA-N 329.385 2.060 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCOc4ccccc43)CC2)c1 69493675 BYIDWJPBWDIVCE-KRWDZBQOSA-N 348.406 2.168 30 40 EEEB Cc1nn(C)c(C)c1/C=C/C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 71859285 FGSOYBHEAPYUHX-XVJNWHFHSA-N 338.415 2.245 30 40 EEEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(C)(C)C)CC1 71818517 HCQVLRXZDMPQGB-UHFFFAOYSA-N 345.491 2.289 30 40 EEEB CC(C)(C#N)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 76093714 XJOSTJRWVWPPAP-UHFFFAOYSA-N 327.428 2.134 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cc2c(cc1Cl)OCO2 409409218 UNJXVVXUVDKPMK-WDQYXFPCSA-N 344.754 2.210 30 40 EEEB N#Cc1ccc(OC[C@]23COC[C@H]2CN(C(=O)c2ccccc2)C3)nc1 96109113 VQIFBPVOYMHQSP-XLIONFOSSA-N 349.390 2.121 30 40 EEEB CN(C)c1cccc(/C(O)=N/S(=O)(=O)N(C)Cc2ccccc2)c1 330031850 DYCQZBFIRZPYQS-UHFFFAOYSA-N 347.440 2.434 30 40 EEEB COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccccc2)NC(=S)N1 12821490 QAXPJVWIAQRMEE-ZDUSSCGKSA-N 342.376 2.108 30 40 EEEB N#Cc1ccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1Cl 40528128 RHLLNIPXNQDLCX-NSHDSACASA-N 340.832 2.401 30 40 EEEB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cccc(C#N)c1 27556331 ATSXPQWINKBROL-GFCCVEGCSA-N 327.409 2.157 30 40 EEEB COc1ccccc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48461525 FVODKADLDZEXAQ-UHFFFAOYSA-N 349.364 2.160 30 40 EEEB CC[C@@H](CNS(=O)(=O)CC#N)Cc1cccc(Br)c1 89943654 SRHGZIKBUIIIOP-LLVKDONJSA-N 345.262 2.461 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 96002011 MVMHJALQGBRWEV-TZMCWYRMSA-N 340.832 2.401 30 40 EEEB CN(CCOc1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1 14185645 SHCNEWQSERDLJR-UHFFFAOYSA-N 334.372 2.397 30 40 EEEB COc1ccc(-n2c(N)c(C#N)c3c(c2=O)COC(C)(C)C3)cc1 6662638 BIKQFTCOLRFLPN-UHFFFAOYSA-N 325.368 2.151 30 40 EEEB N#Cc1ccsc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O 14678389 UFLZMUUWJHQLPR-UHFFFAOYSA-N 327.287 2.439 30 40 EEEB N#C[C@H](NC(=O)CN1CSCC1=O)c1cccc(Cl)c1Cl 66393475 GPURGPAUUJHVQY-JTQLQIEISA-N 344.223 2.207 30 40 EEEB CN1C(=O)C[C@@H](C(=O)Nc2cccc(F)c2C#N)[C@@H]1c1cccnc1 76040733 HUAFCVLVEUVPFC-PXAZEXFGSA-N 338.342 2.250 30 40 EEEB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOc1ccc(C#N)cc1 71880466 UMHYPZMJWBMTOL-OALUTQOASA-N 327.428 2.412 30 40 EEEB N#Cc1ccc(NC(=O)CCN2CCN(Cc3ccncc3)CC2)cc1 95977230 DLDNSAAOUWCLIZ-UHFFFAOYSA-N 349.438 2.100 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(C(=O)OC)C1 69901148 KVBOXDOGPNEHHE-CYBMUJFWSA-N 331.372 2.374 30 40 EEEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218436352 RHTDWAWNXDHRHS-ZOBUZTSGSA-N 345.351 2.360 30 40 EEEB CC(=O)c1cccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2cccnc2)c1 63435753 YUAMEGBOBSMRIE-LBPRGKRZSA-N 348.380 2.397 30 40 EEEB CN(CCN/C(=N/Cc1cccs1)NC1CC1)CC(F)(F)F 81775044 PFLKJKPOXQEYOK-UHFFFAOYSA-N 334.411 2.440 30 40 EEEB N#Cc1ccc(N2CCC(NC3CCC4(CC3)OCCO4)CC2)nc1 161418214 JTLHIOVTUFGBHT-UHFFFAOYSA-N 342.443 2.197 30 40 EEEB C=CCNC(=O)N1C[C@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888865690 MEUANEMXJCJTMO-ZIAGYGMSSA-N 329.448 2.038 30 40 EEEB C=COC(=O)CSc1snc(SCC(=O)OC)c1C#N 3663031 LPYPBNDLZWQTLT-UHFFFAOYSA-N 330.412 2.059 30 40 EEEB N#Cc1[nH]c(=O)n(-c2ccccc2)c(=N)c1/N=C\c1ccc(F)cc1 100413509 MEJPJOLXJYWCEV-JTSMEYIUSA-N 333.326 2.406 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1F 273525 HKBPHVNUCYIKRO-MRXNPFEDSA-N 343.358 2.397 30 40 EEEB N#CCCN(CCC#N)C(=O)COC(=O)c1cc(Cl)ccc1F 22886646 MHJXQWNFYWCOGZ-UHFFFAOYSA-N 337.738 2.292 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 43056059 BXOXNABVZXOLNT-SJCJKPOMSA-N 337.379 2.208 30 40 EEEB CC(=O)N1CCc2cc(NN=C3C(=O)CC(C)(C)CC3=O)ccc21 1465769 WTJDAIUHHYUASO-UHFFFAOYSA-N 327.384 2.322 30 40 EEEB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1C#N 3219270 FNYLCKKHLDCSCJ-UHFFFAOYSA-N 340.335 2.371 30 40 EEEB CC(C)=CCN1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2)CC1 71886106 CGLFLKJMEAAUNU-UHFFFAOYSA-N 340.427 2.044 30 40 EEEB C[C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CCO1 95944283 URCRMBXWVRSCHY-CYBMUJFWSA-N 330.388 2.156 30 40 EEEB N#Cc1cc2cccnc2nc1NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 596227547 QPCZXXAYSXEDQX-GOEBONIOSA-N 338.411 2.481 30 40 EEEB C=CCN1CCOCC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565552716 UHGMBHYUPUFZLX-UHFFFAOYSA-N 331.460 2.074 30 40 EEEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(C)s2)cc1 1009030 YLPWHYHHZMROPQ-OQLLNIDSSA-N 337.426 2.327 30 40 EEEB Cn1cc(Cl)cc1C(=O)N1CCCN(c2ncccc2C#N)CC1 55741349 INXADPOOMRCPFG-UHFFFAOYSA-N 343.818 2.298 30 40 EEEB Cc1nnc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(C#N)c1C 107362543 GPWGAYQTTLADPI-MOPGFXCFSA-N 349.438 2.055 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nncn1-c1ccccc1 3452707 WYGOVLCUIXWCFI-MRXNPFEDSA-N 329.429 2.414 30 40 EEEB C=CCSc1ccccc1NC(=O)CSc1nc(N)nc(N)n1 13150508 NZAQGTFCTFGZKJ-UHFFFAOYSA-N 348.457 2.045 30 40 EEEB N#Cc1cccc(CNC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 72271790 BHXUREUHJUYWTK-GOSISDBHSA-N 348.406 2.159 30 40 EEEB COC(=O)c1sccc1CN1CCN(c2cc(C#N)ccn2)CC1 88492371 ZFLISTHHMDTOCZ-UHFFFAOYSA-N 342.424 2.124 30 40 EEEB N#Cc1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1Cl 89769852 DYCMYKMYXNTLND-ZIAGYGMSSA-N 332.791 2.487 30 40 EEEB COc1ccc(-c2c(C(C)C)nn3c(N)c(C#N)nnc23)cc1OC 20636176 NTVCWQPIYUXYEX-UHFFFAOYSA-N 338.371 2.386 30 40 EEEB CN(Cc1csc(C2CC2)n1)C1CN(c2nccnc2C#N)C1 1776008295 CBMIOCNULSWMOP-UHFFFAOYSA-N 326.429 2.003 30 40 EEEB Cc1ccc2nc(NCCCNC(=O)c3cnccn3)c(C#N)cc2c1 19221176 HORGOPZNNRHDMI-UHFFFAOYSA-N 346.394 2.437 30 40 EEEB CCN=C1S[C@@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CC 2032946148 IAJLMWPTQPYUOT-ZDUSSCGKSA-N 335.429 2.364 30 40 EEEB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c1F 239611972 FGJOZJXEDVHDLS-CQSZACIVSA-N 340.358 2.343 30 40 EEEB CC(C)Cn1nnnc1S[C@H](C)C(=O)NC1(C#N)CCCCC1 30397316 IGBLLGIQDOCSEG-GFCCVEGCSA-N 336.465 2.152 30 40 EEEB COCC[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 79051503 AQJNXFHDNDFKRK-VIFPVBQESA-N 336.335 2.280 30 40 EEEB Cc1cc([C@H](C#N)C(=O)CNC(=O)OCc2ccccc2)nc(C)n1 58280547 RAGXIIHTDYIZTP-HNNXBMFYSA-N 338.367 2.196 30 40 EEEB N#CCOC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3329229 NSZYFNRXZNTIDH-UHFFFAOYSA-N 342.376 2.118 30 40 EEEB COC(=O)c1c(C)[nH]c(C(=O)N(CCC#N)Cc2cccnc2)c1C 58401307 OINHQZMVYFQWHK-UHFFFAOYSA-N 340.383 2.369 30 40 EEEB Cc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)s1 45936720 MDRZNXUWJHSISN-UHFFFAOYSA-N 329.425 2.482 30 40 EEEB CC(C)(C)[C@@H](C#N)NC(=O)CCN1CCN(c2ccccc2)CC1 85438091 VTXNZAHMMBQQMF-QGZVFWFLSA-N 328.460 2.253 30 40 EEEB C=CCN(CC=C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241422 FAASMOJIOSLCGB-SJORKVTESA-N 348.830 2.439 30 40 EEEB C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(S(N)(=O)=O)cc1 97370709 ZAXOWOLNDWALPE-NSHDSACASA-N 333.388 2.196 30 40 EEEB Cc1cc(C#N)ccc1S(=O)(=O)N(CCCO)Cc1ccccc1 95433433 MNSHBFXGIIHCEZ-UHFFFAOYSA-N 344.436 2.440 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(F)c1 5248941 XJZPWOWBTUXLPV-MRXNPFEDSA-N 343.358 2.397 30 40 EEEB N#Cc1cccc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)n1 2298065004 WJBXFKYTLANQJM-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)c3cc(Cl)ccc3O)CC2)c1 30936711 YYTTUWWRWFJQCF-UHFFFAOYSA-N 342.786 2.275 30 40 EEEB COC(=O)Nc1cccc(C(=O)[C@H](C#N)C(=O)NC2CCCC2)c1 102766080 JCVQSNCEKPPANP-AWEZNQCLSA-N 329.356 2.246 30 40 EEEB COc1ccc(C(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)cc1OC 58246438 BXXFTLOKLWZQBW-VIFPVBQESA-N 344.396 2.311 30 40 EEEB CCCc1noc(CCCC(=O)Nc2cc(C)nn2CCC#N)n1 58304693 ZJBOISIPGXGNQG-UHFFFAOYSA-N 330.392 2.402 30 40 EEEB COc1cc(/C=C/C(=O)OCC(=O)NC(C)(C)C)ccc1OCC#N 3360362 QQHFIXCIVJJZCX-SOFGYWHQSA-N 346.383 2.069 30 40 EEEB N#Cc1ccccc1OCCSc1nnnn1CC(F)(F)F 69416958 OOVQIGAYRWUUGE-UHFFFAOYSA-N 329.307 2.278 30 40 EEEB CN1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)Cc2ccccc21 69445143 XIDIXIFPCJLVJA-UHFFFAOYSA-N 348.406 2.170 30 40 EEEB C#CCOc1ccccc1CN(C)CC(=O)Nc1c(C)n[nH]c1C 69894024 MJWKJEIFHNHSGI-UHFFFAOYSA-N 326.400 2.109 30 40 EEEB CC[C@@]1(C)NC(=O)N(CCCNc2snc(Cl)c2C#N)C1=O 95395772 ZHORIUHEMWSLPI-CYBMUJFWSA-N 341.824 2.191 30 40 EEEB CO[C@H]1CCN(C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1 1565522061 HXYRNMYIMYFCBG-IBGZPJMESA-N 341.455 2.203 30 40 EEEB N#Cc1cc(NC(=O)c2cscn2)ccc1N1CCC(O)CC1 75180925 KJCXINVMFIXQDA-UHFFFAOYSA-N 328.397 2.228 30 40 EEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)ccc1O 222249152 NZZIINGTBIMOCT-WKGOWHPVSA-N 340.379 2.322 30 40 EEEB Cc1nnc(N2CC[C@@H](Oc3cccnc3N(C)C)C2)c(C#N)c1C 225575276 LLUAJXLAIQYNAP-CQSZACIVSA-N 338.415 2.084 30 40 EEEB C/N=C(/NCCc1ccco1)N[C@@H]1CCCN(c2ccccn2)C1 195564082 NNXVYCNQCZDNBE-OAHLLOKOSA-N 327.432 2.051 30 40 EEEB COc1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)sn1 585129873 AKSWLQAAKNKLIG-AWEZNQCLSA-N 342.424 2.374 30 40 EEEB CC(C)c1ccoc1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 284300758 UEQWETCECLUDKM-CYBMUJFWSA-N 339.399 2.416 30 40 EEEB C=CC1CCN(C(=O)c2c[nH]c(C)c(Br)c2=O)CC1 97080757 JSEWZTGJRIEMTK-UHFFFAOYSA-N 325.206 2.484 30 40 EEEB N#Cc1cc(N2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] 167155201 VNWOKVTXYZVCOU-HOCLYGCPSA-N 343.339 2.388 30 40 EEEB CCCN(CCC)C[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1 1684428 NHHQAESAQPUBLU-BPKVKKHESA-N 338.364 2.465 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 225798588 POJKUBCQKLQQCW-CQSZACIVSA-N 347.378 2.052 30 40 EEEB COC(=O)Nc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c1 100819277 ZGABQQKTGBNNPM-ZDUSSCGKSA-N 338.323 2.221 30 40 EEEB COc1cccc(/C=C/C(=O)[C@@H](C#N)C(=O)N2CCCCC2)c1OC 103502499 ZRKQNIWHTIGDOX-BOLDSZDNSA-N 342.395 2.438 30 40 EEEB C=CCSc1nnc(NC(=O)CCNC(=O)c2ccco2)s1 6602719 QDBHDNFVQLKDMA-UHFFFAOYSA-N 338.414 2.168 30 40 EEEB CN1CCCC[C@@H]1CN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 69663487 JPLHUVBIAWLALU-GOSISDBHSA-N 341.459 2.192 30 40 EEEB C=CC1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 97050587 CCUHQRARHWTACB-CABCVRRESA-N 332.425 2.115 30 40 EEEB C#CCCN1CCC(Nc2cc(C(F)(F)F)nc3ncnn23)CC1 72310992 AKYXVBWHECRWBC-UHFFFAOYSA-N 338.337 2.043 30 40 EEEB N#CCCN(CC1CCC1)C(=O)c1ccc2c(=O)[nH]c(S)nc2c1 88429278 WOVVVDABYXQNSO-UHFFFAOYSA-N 342.424 2.368 30 40 EEEB N#Cc1ccc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cn1 195535333 MLSRCUFRVFWECL-UHFFFAOYSA-N 326.787 2.455 30 40 EEEB C1CC[C@H](C/N=C(/NCc2nc(C3CC3)no2)NC2CCCC2)OC1 195564384 GGJOVFBCCPORFZ-OAHLLOKOSA-N 347.463 2.494 30 40 EEEB Cc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C#N)cc3)OCC(=O)N2C)cc1 96181472 JASIWEHEBMYLGQ-OALUTQOASA-N 349.390 2.404 30 40 EEEB C[C@H]1C[C@@H]1Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1C#N 95417561 ZNJRORCTFRBGCD-UFBFGSQYSA-N 333.335 2.219 30 40 EEEB C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@H](c2ccc(F)cc2)O1 96428329 QIEHDLGZMQKRHK-SWLSCSKDSA-N 326.393 2.221 30 40 EEEB Cc1cc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c(C)o1 283771053 ORLVDYQOHPDXRB-UHFFFAOYSA-N 330.413 2.495 30 40 EEEB COc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C#N)cc1OC 594836220 ZZZSECANTBXNAL-JQWIXIFHSA-N 342.392 2.204 30 40 EEEB CC1(C)OB(c2cnn(C(=O)CCc3ccccc3)c2)OC1(C)C 200381808 LUWOCCBPDZUTSE-UHFFFAOYSA-N 326.205 2.455 30 40 EEEB N#CC1(C#N)[C@H](c2ccco2)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21 20439771 GQBPQIBYXRTVJF-IXDOHACOSA-N 330.347 2.292 30 40 EEEB CC(C)Oc1cccnc1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 79542858 LJMQUPRGFLKZCH-OAHLLOKOSA-N 330.432 2.175 30 40 EEEB C=CCNC(=O)CN1CCO[C@H](c2cccc(Br)c2)C1 58178954 WKVLVCTVKDRZAQ-AWEZNQCLSA-N 339.233 2.125 30 40 EEEB N#Cc1cccc(CN(Cc2cc(=O)[nH]c(O)n2)Cc2ccco2)c1 48308528 HRIBYSQTMFDUHH-UHFFFAOYSA-N 336.351 2.143 30 40 EEEB N#Cc1ccccc1OCCN1C(=O)NC(C2CC2)(C2CC2)C1=O 65623452 HWFJFBOZGVGLRM-UHFFFAOYSA-N 325.368 2.048 30 40 EEEB N#CC1(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCC1 96005115 DOEWBSXQBNQWHK-HNNXBMFYSA-N 347.440 2.113 30 40 EEEB CCn1cc(C(=O)/C=C/C(=O)Nc2ccccc2C(=O)O)c(C)n1 71785006 NXWKMZIRSRZDLB-CMDGGOBGSA-N 327.340 2.287 30 40 EEEB C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 69980246 HSZDLWTYRGGRQP-QGZVFWFLSA-N 340.423 2.424 30 40 EEEB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(C#N)c2)C1=O 9953440 POOYMMZAQLLYBK-IBGZPJMESA-N 349.346 2.254 30 40 EEEB CCc1cnc(CCNC(=O)C#Cc2ccc3c(c2)OCO3)s1 96474246 GGTMKRSKZOYUIV-UHFFFAOYSA-N 328.393 2.145 30 40 EEEB N#C[C@]1(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CCSC1 76092648 YQGJITDQNVDKLT-UONOGXRCSA-N 343.374 2.395 30 40 EEEB Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 591657318 MZDUZKVVLVULIY-OAHLLOKOSA-N 325.372 2.293 30 40 EEEB N#Cc1ccc(N2C[C@@H]3[C@H](CCN3c3nc(C4CC4)ns3)C2)nc1 1889096073 ZDOYBWJPGPXMNU-ZIAGYGMSSA-N 338.440 2.397 30 40 EEEB C=CC/N=C(\NCc1cccnc1)NC[C@@H]1COc2ccccc2O1 73713435 MCEUUHIBGCABGP-MRXNPFEDSA-N 338.411 2.143 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)NCc2csc(NC)n2)cc1 72313605 NQKQXSHTPOYMIY-UHFFFAOYSA-N 345.428 2.422 30 40 EEEB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 65523155 FKHVHEPZNMAROE-ZDUSSCGKSA-N 349.456 2.282 30 40 EEEB C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC)cc1 66605113 PBCSZYWTDAFSJK-AWEZNQCLSA-N 346.387 2.163 30 40 EEEB C=CCNC(=O)CN1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 69930418 UJMSSWRQMVKACF-HNNXBMFYSA-N 344.390 2.239 30 40 EEEB O=C(/N=C1/NCCS1)C1(c2ccc(F)cc2F)CCOCC1 89752241 XPJGBHSBGUFXHS-UHFFFAOYSA-N 326.368 2.232 30 40 EEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N\Cc1ccco1 408528775 WISHMRIACQKGOQ-OCTXWABXSA-N 345.742 2.403 30 40 EEEB C#CCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2OC)C1=O 15012731 ILYXWSMKAWQLEN-XFXZXTDPSA-N 333.365 2.382 30 40 EEEB CC(C)S(=O)(=O)N1CC[C@@H](NCc2cccc(C#N)c2)[C@@H](C)C1 106918585 DOQVORJTTOOIBW-WMLDXEAASA-N 335.473 2.096 30 40 EEEB C=CC[C@H](CO)CNC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC 108375337 LVHIGFMMSHARCH-VYDXJSESSA-N 332.444 2.132 30 40 EEEB C#CCOc1c(Cl)cc([C@H]2CC(=O)N=C3N=CNN32)cc1Cl 409375937 RELQDFRPLVEHHN-LLVKDONJSA-N 337.166 2.181 30 40 EEEB C[C@H](NC(=O)NCc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C 69348118 CMDMLSPMFXBTMG-KGLIPLIRSA-N 328.416 2.147 30 40 EEEB N#Cc1cccc(S(=O)(=O)NCCCSc2nccs2)c1 69698187 PGSZAJSQKPTITM-UHFFFAOYSA-N 339.467 2.475 30 40 EEEB CC/N=C(/NCc1ccon1)N[C@H]1CCN(c2c(F)cccc2F)C1 97021830 JMRSVBVHNCATAP-ZDUSSCGKSA-N 349.385 2.287 30 40 EEEB Cn1cc(/C(N)=N/OCCOc2c(Cl)cccc2Cl)cn1 84314540 PQMZBVVTBZAOCJ-UHFFFAOYSA-N 329.187 2.443 30 40 EEEB Cc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)c(Cl)c1 225423887 ZOQAKBHIKUVCPR-UHFFFAOYSA-N 326.805 2.402 30 40 EEEB N#Cc1cccc(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1 96161427 UKYBSGHZLYDXPA-WIYYLYMNSA-N 345.402 2.304 30 40 EEEB CN(CCCc1n[nH]c(N)c1C#N)c1ccc(Br)cn1 96453244 WXKCWQZYZKYJQL-UHFFFAOYSA-N 335.209 2.090 30 40 EEEB Cn1nc(C2CC2)nc1CC(=O)N1C[C@@H](C#N)[C@H](c2ccccc2)C1 592633606 PXFGNXWAMCKQJP-CVEARBPZSA-N 335.411 2.001 30 40 EEEB C[C@@]1(c2ccc(S(=O)(=O)c3ccccc3)cc2)OC(=O)C=CC1=O 5767689 ZUEDHGFMYZPXJX-SFHVURJKSA-N 342.372 2.417 30 40 EEEB C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccccc1C#N 8010182 LFBQQXWMXSLZIJ-ZDUSSCGKSA-N 349.346 2.379 30 40 EEEB N#Cc1cccc(NC(=O)CN2CCN(c3ccccc3O)CC2)c1 54530631 GIRWYJVQQUJBGA-UHFFFAOYSA-N 336.395 2.025 30 40 EEEB N#Cc1c(NC(=O)CCn2cnc([N+](=O)[O-])c2)sc2c1CCC2 12779423 AGWXGJLRYALTBI-UHFFFAOYSA-N 331.357 2.242 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 102708174 HZVGNPFGBUPFGN-QMMMGPOBSA-N 348.712 2.011 30 40 EEEB CC[C@H](C)N/C(=N\C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 75583123 DCHVJHNYHYYFCZ-RRFJBIMHSA-N 333.480 2.159 30 40 EEEB COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cc(OC)ccc1OC 13464861 RSMYTSSHYREYHL-MRXNPFEDSA-N 349.383 2.025 30 40 EEEB C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC(C)(C)O1 65566201 AJHDCDDZEODBDW-JTQLQIEISA-N 335.791 2.176 30 40 EEEB N#Cc1ccccc1N1CCCN(C(=O)NCc2nccs2)CC1 80044409 FDDSWDIUZRZRRG-UHFFFAOYSA-N 341.440 2.437 30 40 EEEB Cc1cc(F)cc2c(NC[C@H]3CN(C)CCN3C)c(C#N)cnc12 96429467 USPIFRNDQDKLHQ-HNNXBMFYSA-N 327.407 2.212 30 40 EEEB C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 69367752 DPJIXIHIDJXSFS-VNQPRFMTSA-N 349.452 2.000 30 40 EEEB Cc1cc(C(F)(F)F)c(C#N)c(SCCCS(N)(=O)=O)n1 69817243 GCXXESJPOKWLNB-UHFFFAOYSA-N 339.364 2.051 30 40 EEEB C#CCCN1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1 72293046 CODVDPMHZAEHOQ-UHFFFAOYSA-N 341.480 2.395 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N\[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408528816 WRTARFUUEFHIJG-OEJROYRESA-N 339.395 2.453 30 40 EEEB CC(=O)N[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C 22476612 XQYKZGXSAFDQQG-HNNXBMFYSA-N 340.345 2.334 30 40 EEEB C[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1F 195557218 RWWXNCDYLWRORM-LBPRGKRZSA-N 347.415 2.238 30 40 EEEB C[C@H](CN1CCN(C)CC1)Nc1ccc(Br)cc1C#N 96008456 GRWLZRQTGNQGIG-GFCCVEGCSA-N 337.265 2.369 30 40 EEEB C[C@@H]1CN(C)c2ccccc2N(CC(=O)N[C@@](C)(C#N)C2CC2)C1 76040478 ZHOJBQIPBBEDAW-KUHUBIRLSA-N 326.444 2.387 30 40 EEEB CC1=CC(=O)/C(=C\n2c(S)nc3ccc([N+](=O)[O-])cc32)C(=O)O1 1636072 XDEVNFBVDHJJMS-RMKNXTFCSA-N 331.309 2.104 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1F 273506 HKBPHVNUCYIKRO-INIZCTEOSA-N 343.358 2.397 30 40 EEEB CC(C)[C@@H](C)NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086582 LIUWBULLSXTIOX-MRXNPFEDSA-N 328.460 2.231 30 40 EEEB N#CCCN(C(=O)Nc1cccc(Cn2cccnc2=O)c1)C1CC1 72274521 HFQLQTLKULUHSP-UHFFFAOYSA-N 337.383 2.202 30 40 EEEB N#Cc1cccnc1N1CCC([C@@H]2CCCCCN2C(N)=O)CC1 69969925 XIAXDODSEJRUNI-INIZCTEOSA-N 327.432 2.493 30 40 EEEB C=CCN(Cc1cccs1)C(=O)c1cc(S(N)(=O)=O)c(C)o1 88637189 OKLDGEXQJQLJLL-UHFFFAOYSA-N 340.426 2.125 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(\O)c2cc3c(s2)CCCCC3)cn1 48646740 RGTOOTVUTUWQTE-UHFFFAOYSA-N 339.442 2.444 30 40 EEEB CN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 83538426 WOCBEQFEJGOJAC-JTQLQIEISA-N 348.346 2.234 30 40 EEEB C=CCN1CCC(NS(=O)(=O)c2ccccc2SC)CC1 195571810 IAOHSHNJUPTYGR-UHFFFAOYSA-N 326.487 2.337 30 40 EEEB C=CCNC(=O)c1ccc(N2CCN([C@H](C)C(F)(F)F)CC2)nc1 96453788 JFGKDRMRSSZJHJ-GFCCVEGCSA-N 342.365 2.070 30 40 EEEB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 95449033 BCZUTHVDHKLPGC-UHFFFAOYSA-N 345.366 2.137 30 40 EEEB Cc1cccc(CC(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 206601648 YCPQRPDUBLHJCF-UHFFFAOYSA-N 349.438 2.232 30 40 EEEB N#CCc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c1 619461693 RUVVUCHZZCFYIC-UHFFFAOYSA-N 334.328 2.391 30 40 EEEB CC(C)c1noc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@@H]3C2)n1 2086946005 LPFBTVVTGXCHEA-GJZGRUSLSA-N 338.415 2.028 30 40 EEEB CC(C)(C)OC(=O)NCCC(=O)[C@H](C#N)C(=O)NC1CCCCC1 50682029 VNJVINIAJXMSCY-ZDUSSCGKSA-N 337.420 2.059 30 40 EEEB CC[C@@]1(C)C[C@]2(CCCN(CC#CCN3CCOCC3)C2)CCO1 2289116 QCWLWXCLQMWJSW-PMACEKPBSA-N 334.504 2.383 30 40 EEEB C=CCNC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 4966941 PXHHYTJPZZGXLL-UHFFFAOYSA-N 346.452 2.413 30 40 EEEB Cc1nnc(N2CCC[C@@H](c3nnc4ccccn34)C2)c(C#N)c1C 24055186 ORXDJLMIBBTJCB-CQSZACIVSA-N 333.399 2.392 30 40 EEEB C=CCNC(=O)c1ccc(N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)nc1 84597519 MAPSIANZYYTCFJ-HOCLYGCPSA-N 344.459 2.493 30 40 EEEB C#CCOc1ccc(Br)cc1C(=S)N1CCOCC1 107638668 XWQBIHFHDUDEFU-UHFFFAOYSA-N 340.242 2.469 30 40 EEEB C=CCNC1=NC(=O)C[C@H](C(=O)Nc2ccc(OCC)cc2)S1 4690236 VKDKOENPQXUYCE-CYBMUJFWSA-N 333.413 2.188 30 40 EEEB Cc1nsc(N)c1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 7548049 XFGABSFSYUIGCR-SECBINFHSA-N 330.369 2.089 30 40 EEEB N#Cc1ccc(OC2CCN(CC(=O)NCC(F)(F)F)CC2)cc1 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OOSWRDHFGRRXQT-IBGZPJMESA-N 325.412 2.166 30 40 EEEB CCCN(C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 76062479 AWTWRYAEVRHYLQ-KRWDZBQOSA-N 335.473 2.052 30 40 EEEB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)cc1 583622018 YDZMXIHFNPFEFS-HKUYNNGSSA-N 339.395 2.407 30 40 EEEB C[C@H]1CCCN1c1ncc(S(=O)(=O)N[C@H](C)CC#N)cc1Cl 1615046053 UHMPELKUCWDGNI-MNOVXSKESA-N 342.852 2.304 30 40 EEEB CCOC(=O)[C@@H]1C/C(=N/OC(C)=O)c2ccc(OC)c(OC)c2C1 17064461 UJRNNAJBQQBYRY-WMEZLHQCSA-N 335.356 2.097 30 40 EEEB COc1cc(NC(=O)c2ccc(C#N)cc2)ccc1NS(C)(=O)=O 32818592 OYFSYEOMIFZXAZ-UHFFFAOYSA-N 345.380 2.191 30 40 EEEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H]2CC(=O)N(C(C)C)C2)n1 52779011 WCUURKGBTOCIOX-LLVKDONJSA-N 343.387 2.325 30 40 EEEB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 52828298 MEESVGVSMNLJKE-LBPRGKRZSA-N 336.399 2.111 30 40 EEEB C=CCSCC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 52941337 RATSFYUONHEDOZ-LLVKDONJSA-N 328.459 2.155 30 40 EEEB N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccccc2)c1N 24578282 IMHZFKNKWBCHPJ-UHFFFAOYSA-N 339.380 2.127 30 40 EEEB N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 58332713 AMPULWUFMUCEJU-QGZVFWFLSA-N 348.406 2.377 30 40 EEEB Cc1oc(NC(=O)CN2CCC(c3cc[nH]n3)CC2)c(C#N)c1C 58394070 HHDXXBYPQOFZPW-UHFFFAOYSA-N 327.388 2.309 30 40 EEEB COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(CC#N)cc1 66579453 ISKVDSCAAGDRMK-UHFFFAOYSA-N 348.355 2.479 30 40 EEEB COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1O 409404771 LZELKOBSHKJZAN-TXFQPVFDSA-N 346.770 2.195 30 40 EEEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1C 8132855 OGKGCWHSXNXVNE-SFHVURJKSA-N 329.400 2.194 30 40 EEEB Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1F 72254831 NWHRWQUAUNUWPA-UHFFFAOYSA-N 329.306 2.400 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)NCC[S@@](=O)c2ccccc2)c1 76087567 DAWZAUFBZDMUBW-DEOSSOPVSA-N 345.399 2.304 30 40 EEEB N#Cc1ccccc1COc1ccc([C@H]2CC(=O)N=C3N=CNN32)cc1 409377510 HPDMCSXWWYIFFS-QGZVFWFLSA-N 345.362 2.313 30 40 EEEB CC(C)(C)CCS(=O)(=O)/N=C(\O)[C@H]1CS[C@@]2(C)CCC(=O)N12 79036987 JPXFHDSJHBUOJW-YGRLFVJLSA-N 348.490 2.163 30 40 EEEB Cc1cccnc1OC1CCN(C(=O)C2(C#N)CCOCC2)CC1 582219806 QEFAOWGNWGROAR-UHFFFAOYSA-N 329.400 2.080 30 40 EEEB CC(C)(C)[C@@H](C(=O)O)C(=O)N1CC[C@H](Nc2cccc(C#N)c2)C1 1615555571 UUTNMBSXKUFBKG-LSDHHAIUSA-N 329.400 2.318 30 40 EEEB C#CCOc1cccc(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1 78612351 IRPXHEAKCAXKGE-QGZVFWFLSA-N 341.407 2.390 30 40 EEEB CC/N=C1/S[C@H](C(=O)Nc2ccccc2OC)CC(=O)N1CC 100105506 GZFBPKGBJPZXAM-CMTMBAJVSA-N 335.429 2.364 30 40 EEEB CN(C(=O)CSc1nccn1Cc1ccccn1)C(C)(C)C#N 79037935 FFFZQODQHILQBT-UHFFFAOYSA-N 329.429 2.179 30 40 EEEB C[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)n1cccn1 65476058 WWVJHHLMFFMXGQ-INIZCTEOSA-N 337.427 2.050 30 40 EEEB CS(=O)(=O)/N=C(\O)c1cccc(OCc2ccccc2C#N)c1 65764029 NXRNLAVSPJSVFL-UHFFFAOYSA-N 330.365 2.401 30 40 EEEB C=CCNC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 15938086 RQLOHBGWRARVCM-SDNWHVSQSA-N 341.323 2.261 30 40 EEEB CCN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)N(C)C1=S 409042675 XJQNWIRIKXCPSB-XFXZXTDPSA-N 331.397 2.017 30 40 EEEB CNC(=S)N/N=C(/CCC(=O)O)c1ccc(Br)cc1 38349650 OHMARNOFOKDNNB-GDNBJRDFSA-N 344.234 2.112 30 40 EEEB Cn1cc(-c2ccc(NCCOc3ccc(CC#N)cc3)nn2)cn1 78260686 MIEUKUQRHSRFKV-UHFFFAOYSA-N 334.383 2.434 30 40 EEEB N#Cc1ccc(C(=O)N2CCn3cc(CN4CCCCC4)nc3C2)cc1 96197272 XQAIJUAHIKEVKH-UHFFFAOYSA-N 349.438 2.397 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4cccnc4)C3)C2)n1 96047680 HCNZCQCOJCSWJV-IEBWSBKVSA-N 335.411 2.194 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(N)C#N)cc1 242718317 XJJIRDXQLFLKQA-GVDBMIGSSA-N 330.384 2.295 30 40 EEEB CC(C)c1noc(CCCNC(=O)NCC#Cc2ccccc2)n1 69565562 WGVUYSFPROWQLT-UHFFFAOYSA-N 326.400 2.477 30 40 EEEB CN1N=C(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCC1=O 31081883 YDIQIVMZAFFPKL-UHFFFAOYSA-N 332.363 2.028 30 40 EEEB CC(C)NC(=O)N1CCC[C@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 47086209 XVDRCDAFICXRLQ-KRWDZBQOSA-N 342.443 2.347 30 40 EEEB N#C[C@@H](C(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 103503555 TVFDWZHBCNKNCX-BVBGJJFLSA-N 348.358 2.454 30 40 EEEB N#Cc1ccc(CNC(=O)NC2CCN(c3ccccn3)CC2)cc1 48229865 LMLARAREQGYLRH-UHFFFAOYSA-N 335.411 2.421 30 40 EEEB Cc1cc(C(=O)Cn2c(N)nc(C#N)c2C#N)c(C)n1-c1ccccc1 12734215 FXGNCSOZOHTHOU-UHFFFAOYSA-N 344.378 2.499 30 40 EEEB N#Cc1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 102188341 WZLCLOLLPJCYHV-IMIFBBOLSA-N 346.408 2.315 30 40 EEEB Cc1ccc(OCc2nc(C/C(O)=N/S(C)(=O)=O)cs2)cc1 48480340 ILGGTTKOFANRFG-UHFFFAOYSA-N 340.426 2.489 30 40 EEEB N#Cc1cccc(NC(=O)NCC(=O)N2CCc3sccc3C2)c1 65565014 OYQKFUVYPPAFKU-UHFFFAOYSA-N 340.408 2.326 30 40 EEEB CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2ccsc2)c1 69736918 UGAKJRPKTPPMDB-CQSZACIVSA-N 349.437 2.041 30 40 EEEB CCc1nc(CN2CCCN(c3cccc(F)c3C#N)CC2)no1 69701262 QIMHQLJAGNLTOO-UHFFFAOYSA-N 329.379 2.355 30 40 EEEB C/N=C(/NCCNc1ncccc1C#N)N[C@@H](C)c1ccc(C)o1 95397524 MDJOXFVRLAXNGZ-ZDUSSCGKSA-N 326.404 2.193 30 40 EEEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccccc1 408529020 ZLRSWOTZMJFVLH-JURCDPSOSA-N 325.368 2.272 30 40 EEEB CC(C)n1cc([C@]2(O)CCCN(Cc3ccc(F)cc3C#N)C2)nn1 583617835 XWBNCJPFUSDPTM-SFHVURJKSA-N 343.406 2.353 30 40 EEEB CC[C@@H](CC#N)NS(=O)(=O)c1ccc(C#N)cc1N1CC=CCC1 1615053371 IYIUXMVZRLGRGV-HNNXBMFYSA-N 344.440 2.295 30 40 EEEB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(C#N)cc2)c1 24452566 XVQLADLZNMDGDJ-UHFFFAOYSA-N 332.381 2.054 30 40 EEEB Cc1nc(C2(NS(=O)(=O)c3cccc(C#N)c3)CCCCC2)no1 40511346 QXHWHKCKWPPHJC-UHFFFAOYSA-N 346.412 2.388 30 40 EEEB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(C#N)cc2)c1 32912605 AEUSKOSVFLNBEF-MRXNPFEDSA-N 341.367 2.431 30 40 EEEB N#C[C@H](NC(=O)c1ccc(F)c(Br)c1)[C@H]1CCOC1 79921621 HUEJRMVAVBUTIT-CABZTGNLSA-N 327.153 2.247 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 103508188 VHRHGXZNTJOSPW-IRXDYDNUSA-N 348.358 2.209 30 40 EEEB CC/N=C(\NCc1ccnn1C)NC[C@@H]1CCO[C@@H]1c1ccccc1 104201999 BYIVFUQDNMQKRV-FUHWJXTLSA-N 341.459 2.253 30 40 EEEB COCCn1c(C)cc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)c1C 8877803 HPBYIQNZNSXSIW-XDHOZWIPSA-N 346.431 2.340 30 40 EEEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 100951152 NINXSHOTVGYYPD-YPIXGLTISA-N 327.384 2.267 30 40 EEEB C=CCSCC(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 58178384 JMBGAMPDNNITPS-MRXNPFEDSA-N 338.448 2.234 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)COC2CCCC2)c1 58189072 GKMLEXXZFHZLLM-UHFFFAOYSA-N 341.385 2.078 30 40 EEEB C=CCN(CC(F)(F)F)C(=O)Cn1cnc2c(C)cccc2c1=O 58290591 PATXLXDDGOZCIZ-UHFFFAOYSA-N 339.317 2.282 30 40 EEEB CC/N=C1\S[C@@H](CC(=O)NCCc2ccccc2)C(=O)N1CC 4699840 IETKDGWGRWGTIS-DNZUHHBVSA-N 333.457 2.075 30 40 EEEB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccccc2C#N)C1=O 6787484 YHAPMHTWCVZUPV-LJQANCHMSA-N 349.346 2.254 30 40 EEEB CN(CC(=O)NCC#N)CC1(c2ccc(Br)cc2)CC1 96421180 CRPCQCOTWFOPJL-UHFFFAOYSA-N 336.233 2.052 30 40 EEEB CN(CC(=O)NCCc1cc(F)cc(F)c1)c1ccc(C#N)cn1 69393752 VWORETWHQCNWAL-UHFFFAOYSA-N 330.338 2.027 30 40 EEEB CCc1noc([C@@H](C)N2CCN(Cc3ccccc3C#N)CC2)n1 69421265 ZNEJAOMCKOKBQM-CQSZACIVSA-N 325.416 2.382 30 40 EEEB CN(C(=O)CN1CCO[C@@H](c2nccs2)C1)C1(C#N)CCCCC1 97203743 KYBYVZKNTRDWES-CQSZACIVSA-N 348.472 2.201 30 40 EEEB CCn1cnnc1CN/C(=N/C)N[C@@H](C)c1cc2ccccc2o1 95397593 QYIQLMTTWAONQX-LBPRGKRZSA-N 326.404 2.470 30 40 EEEB CNC(=O)C1(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CCC1 75092496 RNOSBHMGKPPWBR-UHFFFAOYSA-N 338.329 2.089 30 40 EEEB N#C[C@]1(C=O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 225663331 JDXNECAAZMFQKI-IKGGRYGDSA-N 329.352 2.474 30 40 EEEB N#Cc1cccc(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)c1 96418693 CHZJIYYOVWEHAT-HXUWFJFHSA-N 349.434 2.466 30 40 EEEB O=C(NCC#Cc1ccccc1)N1CC[C@H](c2nc(C3CC3)no2)C1 551844055 WXNKUZNCHKQZDH-INIZCTEOSA-N 336.395 2.498 30 40 EEEB CC1=C/C(=N\OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)=CC1=O 5232145 SPWLYPMCWBFBAF-DTQAZKPQSA-N 345.267 2.491 30 40 EEEB COCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1 19593572 HOPMLHMGIAVACE-UHFFFAOYSA-N 346.390 2.043 30 40 EEEB CCc1nnc(S)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 6497103 JLVRGBSLFZQNPY-WLRTZDKTSA-N 327.753 2.279 30 40 EEEB C#CCOn1c(-n2nc(C)cc2CC(C)C)nc2ccccc2c1=O 1845485 HMIMCPVSBXJIIV-UHFFFAOYSA-N 336.395 2.151 30 40 EEEB CCN(Cc1ccc(C#N)cc1F)C(=O)[C@H](NC(=O)OC)C(C)C 95394039 CEZNAISIHLETFH-OAHLLOKOSA-N 335.379 2.426 30 40 EEEB COc1ccc(CNC(=O)COc2ccccc2C#N)cc1OC 3445178 GDEGQZQMIAFYQP-UHFFFAOYSA-N 326.352 2.271 30 40 EEEB N#CCCn1ncc2c(NC[C@@H](O)c3ccccc3F)ncnc21 65534388 VTUDYXNCRUFMPO-CQSZACIVSA-N 326.335 2.025 30 40 EEEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@H](CCSC)C2=O)c1C 6593948 BYNUNBPBPZNTHF-CQSZACIVSA-N 349.456 2.147 30 40 EEEB N#Cc1cccnc1SCC(=O)Nc1ccc2c(c1)OCCO2 7051720 YEROFUVAIDCIRG-UHFFFAOYSA-N 327.365 2.455 30 40 EEEB C#CCOc1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 71888135 KWNCQLDLJKINJQ-UHFFFAOYSA-N 329.400 2.031 30 40 EEEB C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 71888028 YKHCVBJKUPTSPX-SNVBAGLBSA-N 346.372 2.077 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](N2CCCCCC2)C1 69743741 LGMILPKKUHNLOC-HKUYNNGSSA-N 334.508 2.381 30 40 EEEB Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 95428254 TZZFUUDEDXVRFL-YOEHRIQHSA-N 328.391 2.376 30 40 EEEB CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409405548 OJDDUZKUJQVSRB-MGBSGCIJSA-N 340.379 2.235 30 40 EEEB NC(=S)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409384051 YBJHBOQPWAVDOV-RQZCQDPDSA-N 330.369 2.341 30 40 EEEB Cc1c(C#N)cccc1NC(=O)N1CC[C@H](CN2CCOCC2)C1 190312238 CCSYZFUMVGZBFQ-OAHLLOKOSA-N 328.416 2.053 30 40 EEEB C=CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 604418804 GZRORUPSUHQUER-SFHVURJKSA-N 347.374 2.104 30 40 EEEB N#Cc1ccc(N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)cn1 1888916372 BRIMEALSIUXVNH-HUUCEWRRSA-N 332.411 2.193 30 40 EEEB Cc1nccn1-c1cc(CNC(=O)COc2ccccc2C#N)ccn1 47013279 BHSOIRJBFBWTAR-UHFFFAOYSA-N 347.378 2.143 30 40 EEEB CCOc1cc(C#N)ccc1OCC(=O)NCc1ccnc(OC)c1 36692911 XHSJYUIOSXJJNB-UHFFFAOYSA-N 341.367 2.056 30 40 EEEB CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 66397324 SBBVRWHSKRZTBH-XJKSGUPXSA-N 348.468 2.490 30 40 EEEB N#Cc1ccncc1NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 94157137 WSHQKPQPVOMVFP-SFHVURJKSA-N 349.438 2.263 30 40 EEEB CC(=O)Nc1ccc(C/C(N)=N/OC(=O)c2ccc(F)cc2)cc1 226102676 ZUJJDGUNRLURMH-UHFFFAOYSA-N 329.331 2.456 30 40 EEEB CN1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)CC1 225869297 XEPZWUGWTGXANE-UHFFFAOYSA-N 329.835 2.395 30 40 EEEB CC(C)c1n[nH]c(/N=C(\O)C[C@@H]2NC(=O)c3ccccc3N=C2O)n1 97531367 OYDMZZQWEKKVGD-NSHDSACASA-N 342.359 2.306 30 40 EEEB N#CCN1CCC[C@H](c2ccnc(Nc3nc(C(=O)O)cs3)n2)C1 585291918 HCCHICJUBPENBS-JTQLQIEISA-N 344.400 2.078 30 40 EEEB CCN1CCN(CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CC1 73491449 VQLOABTVKGCMBC-SFHVURJKSA-N 342.487 2.302 30 40 EEEB Cc1nn(C)c(C)c1CN1CCN(Cc2ccc(C#N)cc2F)CC1 105865788 SHJVMYBPZQODGM-UHFFFAOYSA-N 341.434 2.366 30 40 EEEB CC1=CC(C)(C)N2C(=O)/C(=N/N=C3NC(=O)CS3)c3cccc1c32 1857657199 AOSLSNSTZIBYPH-CPNJWEJPSA-N 340.408 2.152 30 40 EEEB C=C[C@@]1(O)CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 3869271 BSRUJCFCZKMFMB-LGWHJFRWSA-N 340.423 2.288 30 40 EEEB in-vitro CN(Cc1ccc(C#N)cc1)C(=O)NCCNc1ncccc1C#N 47114669 SUYWLYLWKVUJPQ-UHFFFAOYSA-N 334.383 2.078 30 40 EEEB Cc1nn(-c2ccccc2)c(Cn2nnc3ccccc3c2=O)c1C#N 24141642 UNFRPNDNIGTJHG-UHFFFAOYSA-N 342.362 2.206 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 102708175 HZVGNPFGBUPFGN-MRVPVSSYSA-N 348.712 2.011 30 40 EEEB C=CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(N2CCCCC2=O)c1 27049103 VJLCYIALVGHMAZ-CYBMUJFWSA-N 344.415 2.016 30 40 EEEB COc1ccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2cccnc2)cc1 48532433 BAJNBWVDZYGDAI-NSHDSACASA-N 336.369 2.203 30 40 EEEB CCCc1nc(C)c(/C(O)=N/S(=O)(=O)c2cccnc2)s1 48533162 ZQGSCFQCWLPZOO-UHFFFAOYSA-N 325.415 2.493 30 40 EEEB N#C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl 66394716 OWIUYOGBBBVJLZ-GZMMTYOYSA-N 347.223 2.109 30 40 EEEB CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C#N)cc1 68365697 RXBVJEMNAPNJAY-HNNXBMFYSA-N 331.441 2.236 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)Cn1nnc(-c2cc3ccccc3o2)n1 69570816 GJYSFWOSNSICJE-KRWDZBQOSA-N 338.371 2.141 30 40 EEEB N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](CN2CCOCC2)C1 69745182 IZIDMTAHRWJHBQ-OZSKJFCKSA-N 339.439 2.142 30 40 EEEB CCN1CC[C@@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)[C@H](C)C1 95431075 MZYIPFIHXAZHTL-CRAIPNDOSA-N 344.459 2.309 30 40 EEEB N#Cc1cccnc1OC1CCC(NC(=O)C[C@H]2CCCO2)CC1 525849765 YPKYWKQQVUITEK-UYSNPLJNSA-N 329.400 2.329 30 40 EEEB C=CCOc1ccccc1C(=O)N1CCC[C@H](c2nnc(N)o2)C1 585130828 CYGKRBXWXDVBDK-LBPRGKRZSA-N 328.372 2.236 30 40 EEEB CN1C[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)Cc2ccccc21 585128440 BJTDTNUFQPJBHD-MOPGFXCFSA-N 344.418 2.418 30 40 EEEB Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(C#N)cc1 609443088 IJMZZQOFYWDTHE-LJQANCHMSA-N 345.406 2.188 30 40 EEEB N#CC1(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CCCC1 107362785 UXINQEUBXGOEGU-MSOLQXFVSA-N 339.439 2.182 30 40 EEEB COc1ccc(-c2nc(NCCc3ccccn3)[nH]c(=O)c2C#N)cc1 40544158 RVBMJMVLWRTHSG-UHFFFAOYSA-N 347.378 2.367 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)COc1cccc(N2CCCC2=O)c1 32859966 PJRWATXBRMYCLM-SFHVURJKSA-N 329.400 2.247 30 40 EEEB CC(C)(CO)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 2707479 AJOYMMGQJQLABI-AWEZNQCLSA-N 340.423 2.157 30 40 EEEB COc1ccc(NC(=O)C[n+]2cn(C)c3ccccc32)cc1OC 3375706 LPRFAWGNWYEQBX-UHFFFAOYSA-O 326.376 2.122 30 40 EEEB CCNC(=S)N/N=C/c1cc(OC)c(N2CCCC2)cc1OC 107586097 KJAALWYGHAIXSZ-WOJGMQOQSA-N 336.461 2.122 30 40 EEEB CO/N=C/Nc1nc2nccc([C@H](C)Oc3ccc(F)cc3)n2n1 3134298 QOVUJDBECGTHGK-JTQLQIEISA-N 330.323 2.405 30 40 EEEB C#Cc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)c1 47949118 NNXZNQZQWTWJDA-UHFFFAOYSA-N 331.349 2.176 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1OC 28605441 ZATMQEBIPALTJS-FZMUQLTDSA-N 342.347 2.488 30 40 EEEB N#C[C@H](c1ccccc1)N1CCN(C(=O)COc2ccccc2)CC1 71058678 YTVCGSZQNQOBSH-LJQANCHMSA-N 335.407 2.474 30 40 EEEB Cc1nnc(NCCNC(=O)c2ccc(F)cc2F)c(C#N)c1C 65585357 OZYREIYYVNJSPK-UHFFFAOYSA-N 331.326 2.085 30 40 EEEB C[C@@H]1CN(C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CCO1 71821648 GQJVBDHLNCJLEX-MRXNPFEDSA-N 341.455 2.203 30 40 EEEB C=CCNC(=O)C[C@H](C)CC(=O)N1CCN(c2ccccc2F)CC1 4704282 LBUARZMWSRMMRW-HNNXBMFYSA-N 347.434 2.193 30 40 EEEB COc1cc(OC)c(C2OCCO2)cc1B1OC(C)(C)C(C)(C)O1 170030634 JAIYKQAMGAIJHI-UHFFFAOYSA-N 336.193 2.048 30 40 EEEB N#Cc1c(F)cccc1N1CCN(C(=O)CCc2ccccn2)CC1 68786455 IKYOAHWYUOEQFI-UHFFFAOYSA-N 338.386 2.374 30 40 EEEB C#CCNC(=O)CC(=O)Nc1ccc(CN2CCc3ccccc32)cc1 97052555 POOWSJWDOIJHII-UHFFFAOYSA-N 347.418 2.327 30 40 EEEB CCS(=O)(=O)N1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 195557220 UTSPCFSMSDXZLR-LBPRGKRZSA-N 339.436 2.162 30 40 EEEB COC(=O)c1cc(NC(=O)[C@@](C)(C#N)c2ccccc2)cnc1OC 225960777 XGCNYKHNEZUGGG-SFHVURJKSA-N 339.351 2.297 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1NCC1(c2cccc(F)c2)CC1 96429548 WJVBCAZYEYPZEW-UHFFFAOYSA-N 345.399 2.488 30 40 EEEB Cc1noc(C)c1CC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 46833851 QHDFNVNRJHWPAF-UHFFFAOYSA-N 338.411 2.445 30 40 EEEB Cc1cc(C)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c1C#N 7615973 XKDWSKMTVAFHHB-UHFFFAOYSA-N 329.787 2.307 30 40 EEEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@H](n3cnc([N+](=O)[O-])c3)C2)cc1 101003759 IHKFZLVXBRHARG-TXEJJXNPSA-N 337.357 2.209 30 40 EEEB C=CCNC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195275 JKZHVZUZZWFXEQ-UHFFFAOYSA-N 328.821 2.186 30 40 EEEB CCN(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1[N+](=O)[O-] 47611415 VHGJVKRCADKUPG-KRWDZBQOSA-N 332.404 2.471 30 40 EEEB CC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1 5009254 KEIDYNYUGHOERF-UHFFFAOYSA-N 332.363 2.482 30 40 EEEB Cc1csc(N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)n1 65490544 QYQZOUCINRIUNP-UHFFFAOYSA-N 330.413 2.224 30 40 EEEB N#Cc1ncn(Cc2cc(=O)oc3cc(Br)ccc23)n1 14143686 RASKNIKXLXCECR-UHFFFAOYSA-N 331.129 2.067 30 40 EEEB C=CCNC(=S)Nn1c(-c2ccco2)nc2ccccc2c1=O 19897564 JQUNPSWDPBPYNH-UHFFFAOYSA-N 326.381 2.261 30 40 EEEB C=CCn1c(C)nnc1SC[C@H](O)CN(C)Cc1ccccc1 69324769 IERHUEOYHZTEFI-MRXNPFEDSA-N 332.473 2.358 30 40 EEEB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C#N)cc1 69454754 SITZNTNTXNQFHA-CQSZACIVSA-N 347.440 2.484 30 40 EEEB Cc1nn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c(N)c1C#N 97083793 GXVPMZXENQPBIZ-UHFFFAOYSA-N 331.742 2.067 30 40 EEEB CNC(=O)CN1CCC(CN(C)c2c(Cl)cccc2C#N)CC1 78296172 WMJGUPXNKJGYCI-UHFFFAOYSA-N 334.851 2.106 30 40 EEEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)c1ccc(F)cc1 36612071 PWDIENWIYHUEIJ-UHFFFAOYSA-N 344.268 2.479 30 40 EEEB N#C/C(c1c2ccccc2c(/C(C#N)=[N+](\[O-])O)c2ccccc12)=[N+](/[O-])O 37256213 NRTBWCDKUSMOQJ-UHFFFAOYSA-N 346.302 2.417 30 40 EEEB Cc1cccc2c1OC[C@H](/N=C(/O)N1CCC[C@@H](n3cncn3)C1)C2 329741726 OWIBDDKAVVNAER-HZPDHXFCSA-N 341.415 2.141 30 40 EEEB CC1CCN(/C(N)=N/C[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 97227741 KBJSLWWODZRZMR-GOSISDBHSA-N 342.487 2.124 30 40 EEEB CN1CCN(c2c(C#N)cccc2C#N)C[C@@H]1c1nc(C2CC2)no1 583616886 SHSHOBYGRZBLHV-OAHLLOKOSA-N 334.383 2.183 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)N(C)Cc2nc[nH]n2)cc1OC 72292959 DLHWZMXFNXGDDE-SOFGYWHQSA-N 328.372 2.050 30 40 EEEB C[C@@H]1CN(C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 89939222 FYLOPVXAJQGXNB-CYBMUJFWSA-N 346.500 2.463 30 40 EEEB N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 5631048 WZLCLOLLPJCYHV-XWUBHJNHSA-N 346.408 2.315 30 40 EEEB C=CCC1(CC=C)CCN1C(=O)Cc1c(C)nc(SC)[nH]c1=O 12325737 WKRGVDQUZGMRGL-UHFFFAOYSA-N 333.457 2.466 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1 24470783 FITGEAQJVHCGEP-UHFFFAOYSA-N 338.436 2.466 30 40 EEEB C[N+](C)(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 3898717 JDBXVSFWRLHBHV-UHFFFAOYSA-O 342.375 2.471 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 32859963 YWRWZDLLEIFHSZ-CQSZACIVSA-N 330.356 2.351 30 40 EEEB CC(C)NC(=O)[C@H](C#N)C(=O)c1ccn(-c2ccccc2Cl)n1 103732502 AHQKSEWBZUBPBK-LLVKDONJSA-N 330.775 2.373 30 40 EEEB COc1ccc(OC)c(CNCCCCCc2n[nH]c(N)c2C#N)c1 8725298 IPKVAWAXDRCRAE-UHFFFAOYSA-N 343.431 2.383 30 40 EEEB COCCN(CCCc1ccccc1)CC(=O)N[C@@](C)(C#N)C1CC1 58342963 OCKAVZIHDQMNDW-FQEVSTJZSA-N 343.471 2.376 30 40 EEEB C=C(Br)CNC(=O)c1cnn(-c2ccccn2)c1CC 49280616 ANUIPKYXOPEXEQ-UHFFFAOYSA-N 335.205 2.468 30 40 EEEB Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 6790743 QFSXLNALHOOHBG-UHFFFAOYSA-N 343.408 2.369 30 40 EEEB C=CC[C@@H]1N(c2ccc(OC)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4237651 WSHQZPHRZYRCMK-LAIHZFQQSA-N 341.363 2.011 30 40 EEEB biogenic C=C(Br)CNC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 96420704 PZSOJGREUVSTPK-GFCCVEGCSA-N 346.269 2.089 30 40 EEEB N#CCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1 96482439 DWAXFGZVPHZCGM-UHFFFAOYSA-N 343.452 2.354 30 40 EEEB CNC(=O)[C@]1(COC)CCCN1Cc1ccccc1C(C)(C)C#N 591647280 SAGPYCQPRZSBKI-LJQANCHMSA-N 329.444 2.215 30 40 EEEB N#Cc1cccc(C(=O)N2CC3(C[C@H](Oc4ccccn4)CCO3)C2)c1 575402408 ABEBWEYUTTVJNW-QGZVFWFLSA-N 349.390 2.406 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(C(=O)OC)C1 69895932 LSBZOAJPCCKUBO-CYBMUJFWSA-N 346.387 2.309 30 40 EEEB C=C(Br)CNC(=O)[C@@H]1CSCN1C(=O)/C(C)=C/CC 101395636 REIZJTDFMBEFIC-NKLKJHRZSA-N 347.278 2.269 30 40 EEEB Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccc([N+](=O)[O-])cc2)n1 312526 UNKOTZOUHPKOGA-CXUHLZMHSA-N 325.332 2.179 30 40 EEEB COC(=O)c1c(F)cc(C#N)cc1N[C@H](CO)Cc1ccccc1 79057999 SOYYNKYBFQUEPZ-AWEZNQCLSA-N 328.343 2.499 30 40 EEEB CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2ccc(C)c(C)c2[nH]c1=O 33760927 KZMCSWABALTQKE-MRXNPFEDSA-N 325.368 2.362 30 40 EEEB C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=S)NC 12654339 OMLNOOKFDGTOHR-UHFFFAOYSA-N 348.428 2.246 30 40 EEEB Cc1cc(F)cc2c(NCCN3C(=O)CCC3=O)c(C#N)cnc12 76063112 RYFGQUFMTXEOQT-UHFFFAOYSA-N 326.331 2.115 30 40 EEEB O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 6000472 NEHXJRXFWKPPNL-CXUHLZMHSA-N 326.341 2.419 30 40 EEEB CC(C)n1nnnc1S[C@H](C)C(=O)N(C)C1(C#N)CCCCC1 14093634 YIGDVQVSUBMOIH-GFCCVEGCSA-N 336.465 2.419 30 40 EEEB C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 6530766 DTSCMMYHABGUAA-UHFFFAOYSA-N 342.424 2.058 30 40 EEEB aggregator CC[C@H](C)N/C(=N/CCc1ccccn1)NCCCOCCOC 69657934 BBOHUANKHIVINT-INIZCTEOSA-N 336.480 2.011 30 40 EEEB O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)n1nnnc1N2 18195992 YASSNHLYVLABDL-ZDUSSCGKSA-N 346.188 2.458 30 40 EEEB COCCCNC(=O)CN(C)c1cc(C#N)c2cc(Cl)ccc2n1 96412843 DPBXRWKBKGWHHV-UHFFFAOYSA-N 346.818 2.349 30 40 EEEB CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc(C#N)c(F)c3)C2)nn1 583617955 NCNGKCBDGKOANX-GOSISDBHSA-N 343.406 2.353 30 40 EEEB N#Cc1cc(Br)cnc1N1CCC[C@H](NC(=O)C2CC2)C1 1889070279 MZYBBCJAOPUASB-ZDUSSCGKSA-N 349.232 2.211 30 40 EEEB CN(C)[C@H]1CCOC2(CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C1 1565553597 FRXJHXGXJANTAG-SFHVURJKSA-N 341.455 2.203 30 40 EEEB CC(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 51102155 XBAXHJCNONKYGH-KRWDZBQOSA-N 335.473 2.098 30 40 EEEB CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 23829112 KHNBOYDRDZPVQC-UHFFFAOYSA-N 337.379 2.400 30 40 EEEB Cc1cnn(-c2ccc(S(=O)(=O)N(C)C(C)(C)C#N)cc2F)c1 95944010 QZFNYHKOBRPKLZ-UHFFFAOYSA-N 336.392 2.243 30 40 EEEB Cc1nnc(N2CCC(C(=O)NCc3ccco3)CC2)c(C#N)c1C 58289293 LRTKFUQEYVDWQG-UHFFFAOYSA-N 339.399 2.091 30 40 EEEB C=CCNC(=O)CNC(=O)c1cccnc1Sc1ccccc1 95464550 LQHJBAMBPCGNJT-UHFFFAOYSA-N 327.409 2.265 30 40 EEEB CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(C#N)c1 7305516 MIDDMIFJAMDYQH-UHFFFAOYSA-N 344.392 2.150 30 40 EEEB N#CC1(COC(=O)c2cncc(Br)c2)CCOCC1 97056660 MYMZFECMSGZUHB-UHFFFAOYSA-N 325.162 2.321 30 40 EEEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c2c(cnn2C)c1=O 97080376 JXWQQPVWNVQUET-UHFFFAOYSA-N 349.394 2.184 30 40 EEEB C=CCOc1ccc(NC(=O)[C@@]2(C)CCCN(C)S2(=O)=O)cc1 225952816 ZPECZSKUJZKCQL-MRXNPFEDSA-N 338.429 2.004 30 40 EEEB CN1C[C@H](c2ccccc2)[C@@]2(CCN(c3ccc(C#N)cn3)C2)C1=O 96161467 UJQZYCVKOWQBAN-XLIONFOSSA-N 332.407 2.406 30 40 EEEB C=C(C)CN(CC)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 24458626 UMGXOFIPEOOASM-UHFFFAOYSA-N 340.807 2.251 30 40 EEEB N#Cc1ccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)cn1 2086850283 OCIBTONDKWYAQQ-UHFFFAOYSA-N 334.370 2.427 30 40 EEEB CCn1c(=O)n(C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc21 32885766 YBTNZIQFAMITRD-OAHLLOKOSA-N 337.379 2.134 30 40 EEEB C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(O)cc1 51498751 AJZAVSUFZJOMDY-LBPRGKRZSA-N 343.408 2.238 30 40 EEEB C[C@H]1C[C@H](OC[C@H](S)CN2CCN(CO)CC2)CC(C)(C)C1 22863968 ICRJMXAQCCNBSP-HRCADAONSA-N 330.538 2.084 30 40 EEEB C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 12648087 HCYHCCQXTCTYCU-UHFFFAOYSA-N 342.424 2.058 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)NC1CCC(C(=O)NC)CC1 63394390 HRDJDJRTIYEEMR-UHFFFAOYSA-N 344.415 2.383 30 40 EEEB N#Cc1cnn2cc(CNC[C@H]3CCN(c4ccccc4)C3)cnc12 65591678 FVAOCGOEUMXHFF-OAHLLOKOSA-N 332.411 2.217 30 40 EEEB COc1ccccc1CCN(C)S(=O)(=O)c1ccc(C#N)cc1 65590954 GHXVTXFCBSXSGO-UHFFFAOYSA-N 330.409 2.430 30 40 EEEB C[C@@H](O)CNC(=O)c1cccc(OCc2ccc(F)cc2C#N)c1 69951741 CEDLUHHSJFLZSH-GFCCVEGCSA-N 328.343 2.387 30 40 EEEB C[C@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1ccc(C#N)cc1 95433101 YQWFSJHDNYGAQC-DYVFJYSZSA-N 330.409 2.001 30 40 EEEB C/N=C(\NCc1ccn(C(C)C)n1)NC[C@@H](C)Cn1nc(C)cc1C 95405810 BOSUBCHNHJUBBP-CQSZACIVSA-N 345.495 2.279 30 40 EEEB Cc1nc(-c2cccc(C#N)c2)nn1C[C@H](O)CN1CCC(C)CC1 95974834 HNHSIQZHTCONJJ-GOSISDBHSA-N 339.443 2.218 30 40 EEEB N#Cc1cccc(NC(=O)c2cn(C[C@H](O)c3ccccc3)nn2)c1 75164010 UVPNWOPLEPSLBT-KRWDZBQOSA-N 333.351 2.136 30 40 EEEB Cn1cc([C@@H]2C[C@H]2/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)cn1 78556484 HSZYOFGGROEBRD-JKSUJKDBSA-N 345.424 2.358 30 40 EEEB C#C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)[C@H]1CCCO1 521393991 UUVFSPIBQYZROS-GOEBONIOSA-N 338.411 2.065 30 40 EEEB Cc1csc(CN(C)CCS(=O)(=O)c2ccc(C#N)cc2)n1 81515298 TYPSXFAHNIFJQD-UHFFFAOYSA-N 335.454 2.229 30 40 EEEB N#Cc1cccc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c1 23305073 AEROLRZJNWDOTO-UHFFFAOYSA-N 348.362 2.262 30 40 EEEB N#CCN(Cc1ccccc1)C(=O)CCN1C(=O)COc2ccccc21 54246274 KFBAVPPGOOCDCQ-UHFFFAOYSA-N 349.390 2.354 30 40 EEEB C=CCn1c(Cl)c(C=O)s/c1=N\S(=O)(=O)c1ccccc1 13843052 DWFQWALRLWORDC-SQFISAMPSA-N 342.829 2.491 30 40 EEEB N#Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1 72285569 BSVIGVBENHUEBF-OAHLLOKOSA-N 344.440 2.130 30 40 EEEB C=CCNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 7980858 HJYLKOZKFKPTPO-UHFFFAOYSA-N 335.385 2.148 30 40 EEEB C[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 95406931 RNOSNRHWMZHNGN-TZMCWYRMSA-N 345.447 2.225 30 40 EEEB Cc1cc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)no1 81371207 UKEHMIYZSIZIEM-CQSZACIVSA-N 342.374 2.322 30 40 EEEB Cn1c(Cl)cnc1CN1CC[C@H](CNc2ccc(C#N)cn2)C1 97200635 XHDHWTIANBPZDF-CYBMUJFWSA-N 330.823 2.274 30 40 EEEB Cc1nn(CC(F)(F)F)c(C)c1C/C(O)=N/S(=O)(=O)C(C)C 96486923 KMELWLSIKBYEPD-UHFFFAOYSA-N 341.355 2.299 30 40 EEEB COc1ccccc1OCC#CCNS(=O)(=O)Cc1ccccc1 90610430 WTRZFZDYVSOLMN-UHFFFAOYSA-N 345.420 2.197 30 40 EEEB CC(C)[C@H](C#N)N1CCN(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106796304 XPTYOSRZUXATPG-VMXHOPILSA-N 346.519 2.093 30 40 EEEB O=C1C=C2CN([C@@H](C(=O)C3CC3)c3ccccc3F)CC[C@]2(O)S1 149507299 OHANBBNBMKFHBI-AEFFLSMTSA-N 347.411 2.440 30 40 EEEB in-vitro C=CCNC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888875667 OFONOCJOLFEJDT-IRXDYDNUSA-N 349.438 2.407 30 40 EEEB C=CCO[C@@H]1CCN(C(=O)[C@H]2[C@H]3COC[C@H]32)[C@H]1Cc1ccccc1 1565549964 LIXRLIFKRUZASK-APAFKAMOSA-N 327.424 2.294 30 40 EEEB N#Cc1ccc(N2CCCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 52800035 XDSSAVUUWWLNGW-IBGZPJMESA-N 334.423 2.297 30 40 EEEB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N(C)CCC#N 53135620 HEZPEBNYBMHFDO-UHFFFAOYSA-N 339.443 2.293 30 40 EEEB COc1cc(OC)cc(C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)c1 103503856 ZUJUOYRLDDHCGK-MRXNPFEDSA-N 330.384 2.475 30 40 EEEB CNS(=O)(=O)Cc1ccccc1CNc1cccc(F)c1C#N 58281202 ZFPBGTPUNORYFZ-UHFFFAOYSA-N 333.388 2.359 30 40 EEEB CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CCC(C#N)CC1 97109302 AVZHPYQKUOVEPF-UHFFFAOYSA-N 327.388 2.193 30 40 EEEB COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)c(OC)c1 3474177 CCAZXXXSDZRURA-UHFFFAOYSA-N 340.335 2.371 30 40 EEEB N#CC1(C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CCC1 96005114 DOEWBSXQBNQWHK-OAHLLOKOSA-N 347.440 2.113 30 40 EEEB Cc1nc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)ccc1C#N 81655943 JHAUWPBMRCIDEX-INIZCTEOSA-N 329.400 2.062 30 40 EEEB Cc1nnc(CN(Cc2cccc(C#N)c2)C[C@@H]2CCCO2)n1C 96721135 NGFPEPZNFBGEJG-KRWDZBQOSA-N 325.416 2.176 30 40 EEEB N#Cc1cccnc1N1CCC([C@H]2CCCCCN2C(N)=O)CC1 69969927 XIAXDODSEJRUNI-MRXNPFEDSA-N 327.432 2.493 30 40 EEEB CCN(/N=C/c1ccc(Cl)c(Cl)c1)c1cc(=O)n(C)c(=O)[nH]1 18272266 GABYFHAXTHKKKZ-CAOOACKPSA-N 341.198 2.241 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)NCc2cccs2)C1 225488783 VFSBMSAQVLMXPW-GFCCVEGCSA-N 343.412 2.163 30 40 EEEB N#Cc1cc(S(=O)(=O)N2CCCCC2)cc(C(F)(F)F)c1N 223705099 BSLPCRLUYASQLX-UHFFFAOYSA-N 333.335 2.334 30 40 EEEB O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCS 40391360 VHUNYGZLCPZYEM-UHFFFAOYSA-N 341.371 2.175 30 40 EEEB C[C@@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)S1 96424094 ZRUILYUDVLFVOM-LLVKDONJSA-N 331.401 2.080 30 40 EEEB CC(C)OC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 96427954 XHQFSFBRVWASHY-UHFFFAOYSA-N 326.393 2.275 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccc(C)cc1SC(F)(F)F 69631321 SBZDKVCVSYKTBX-UHFFFAOYSA-N 345.346 2.478 30 40 EEEB C/N=C(/NC[C@@H]1CCN(C)C1)N(C)Cc1c(F)cccc1Cl 73772772 CHUHAAVGEWFYLN-LBPRGKRZSA-N 326.847 2.438 30 40 EEEB N#CC1(NC(=O)COc2ccc(-c3nnco3)cc2)CCCCC1 5216696 XJCCBUFJIBRBDN-UHFFFAOYSA-N 326.356 2.458 30 40 EEEB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]3C2)c(C)o1 1888856988 IYGHHCPMOISJGO-HOTGVXAUSA-N 336.395 2.372 30 40 EEEB CCc1ccc(NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc1 582983 OZKGGBUPWAXCMV-UHFFFAOYSA-N 339.395 2.376 30 40 EEEB N#Cc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cc1 47333725 LZFMZZKRAJIDOS-UHFFFAOYSA-N 328.416 2.134 30 40 EEEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccccc2)C1=O 58180917 DQPOAOXEIMZNBR-LJQANCHMSA-N 335.363 2.404 30 40 EEEB N#Cc1c(NC(=O)CCN2C(=O)CCC2=O)sc2c1CCCCC2 72841261 IUCNCBGXUZYSLU-UHFFFAOYSA-N 345.424 2.366 30 40 EEEB N#Cc1cccc(CNC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 44909346 DNDABSXXTJERBF-UHFFFAOYSA-N 335.363 2.138 30 40 EEEB C=CCOC(=O)[C@@]12C[C@](C)(OC(C)=O)[C@H]1c1ccccc1OC2=O 4114258 OXEJIIKLRXTAFZ-FHLIZLRMSA-N 330.336 2.130 30 40 EEEB COC(=O)CCNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 69492640 QDHBWYORRLBJPV-UHFFFAOYSA-N 325.368 2.259 30 40 EEEB C#CCOc1cccc([C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 69900427 FBQUWZCJAVZAPJ-CYBMUJFWSA-N 342.355 2.071 30 40 EEEB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(C#N)c(C#N)[nH]1 79098854 JGDVFXZHSWJSTK-SSDOTTSWSA-N 333.710 2.352 30 40 EEEB C[C@H]1C[C@H](C/N=C(/N)N2CCSCC2)CN1Cc1ccccc1 97229334 UUAVSIHVTCICLE-DOTOQJQBSA-N 332.517 2.261 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(C(=O)c4ccoc4)C3)C2)n1 96047692 CJPUDKTZFDJTBL-CRAIPNDOSA-N 338.367 2.032 30 40 EEEB CC[C@@H](CS(=O)(=O)Nc1c(C)c(C#N)nn1-c1ccccc1)OC 585129042 VVHABJKCTQHMQZ-AWEZNQCLSA-N 348.428 2.219 30 40 EEEB CC[C@H](C)CC(=O)O[C@@H]1C(=O)C(CO)=C[C@H](OC(C)=O)[C@@H]1C(C)C 31162394 MPXXSICHRNCHHK-VHWLVUOQSA-N 340.416 2.040 30 40 EEEB biogenic,in-vitro N#Cc1cccc(OCCN2CCC[C@@H]2C(=O)NCC(F)(F)F)c1 54992381 QYIIAKADLXCSBR-CQSZACIVSA-N 341.333 2.080 30 40 EEEB C#CCN(CC#C)C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 97031916 PGTMDRMJNFZWKZ-OAHLLOKOSA-N 330.428 2.119 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1CCCC[C@H]1Cn1cncn1 71876130 WEVOLCKLUQUZSX-AWEZNQCLSA-N 344.444 2.095 30 40 EEEB N#C[C@@H](NS(=O)(=O)c1c[nH]cn1)c1ccc(Cl)c(Cl)c1 92385020 BDCHFNWESPBWDG-SNVBAGLBSA-N 331.184 2.260 30 40 EEEB CCn1cc(C2CCN(CC(=O)NC3(C#N)CCCC3)CC2)cn1 97202916 JUYIOFXVGMRIAU-UHFFFAOYSA-N 329.448 2.035 30 40 EEEB CC(C)N1C(=O)C[C@@H](C(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1 95989140 KXSOESDXKXQMIA-IAQYHMDHSA-N 337.782 2.417 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(N)=S)c1 408882294 QPWBWVZZBDSAES-GIJQJNRQSA-N 341.352 2.426 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2nccc3ccccc23)C1 225802094 NAOSVJNFIZUMGQ-CQSZACIVSA-N 345.362 2.190 30 40 EEEB N/C(=N/CCCC(=O)N1CCc2ccccc2C1)N1CCCCC1 97227330 JXDITUWKUKWFAQ-UHFFFAOYSA-N 328.460 2.152 30 40 EEEB CC(C)CO[C@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(C#N)cc1)C2 248158072 JPVTZBXGWUGGSC-UAGQMJEPSA-N 334.441 2.382 30 40 EEEB CSCC[C@H](NC(=O)[C@@H](CS)Cc1ccccc1C)C(=O)O 3785123 FGXXIAHRYGHABD-KGLIPLIRSA-N 341.498 2.406 30 40 EEEB Cc1csc([C@@H](C#N)C(=O)c2ccc(N3CCNC3=O)cc2)n1 41517189 QBTKHMHSYPMXHH-ZDUSSCGKSA-N 326.381 2.471 30 40 EEEB C[C@H](C1CC1)N(CCC#N)C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 103917003 ROXUBAAXIQOTIM-GFCCVEGCSA-N 349.394 2.330 30 40 EEEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cccc3c1OCCO3)CCO2 107720831 KLEAQVUAJUOLAH-QGPMSJSTSA-N 345.395 2.032 30 40 EEEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 105601678 NINXSHOTVGYYPD-RWWNNRJISA-N 327.384 2.267 30 40 EEEB Cc1nc(-c2ccc(OCC(=O)N[C@](C)(C#N)C(C)C)cc2)no1 44911223 IOHQGIVXDJFSPX-QGZVFWFLSA-N 328.372 2.478 30 40 EEEB N#CCCN(Cc1cccnc1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 58332714 AMPULWUFMUCEJU-KRWDZBQOSA-N 348.406 2.377 30 40 EEEB N#Cc1ccc(OCC(=O)NCc2nc(Cc3ccccc3)no2)cc1 58378347 UXXGAUBMOVVARA-UHFFFAOYSA-N 348.362 2.227 30 40 EEEB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 11371539 UAPWMAFWAXKUHY-BONVTDFDSA-N 338.433 2.093 30 40 EEEB COCCN(CCC#N)S(=O)(=O)c1ccccc1C(F)(F)F 69841712 UTQBIRZYKSNMJG-UHFFFAOYSA-N 336.335 2.256 30 40 EEEB N#Cc1cc(NCCS(=O)(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] 97145176 HIKUWYBJVJUPRH-UHFFFAOYSA-N 349.343 2.491 30 40 EEEB Cn1ccnc1C[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 98020510 ZNTFDDVOKGICLZ-GOSISDBHSA-N 336.439 2.436 30 40 EEEB Cc1noc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)n1 69520891 DWUVJYUMPAAMFS-UHFFFAOYSA-N 345.156 2.375 30 40 EEEB CC(C)S(=O)(=O)/N=C(\O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 78719151 TUEBESPSWSUINS-CQSZACIVSA-N 338.429 2.234 30 40 EEEB C=CCN1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1=O 96224071 JKFWATJFYAQFQK-LJQANCHMSA-N 327.428 2.397 30 40 EEEB N#Cc1cc(Br)ccc1N1CCN(c2cnccn2)CC1 96008404 ZTZYKKZBWOIBAM-UHFFFAOYSA-N 344.216 2.437 30 40 EEEB COCCn1cc(C(=O)[C@H](C#N)C(=O)NC(C)C)c2ccccc21 103270732 ZJVBMZPEWDRCHU-AWEZNQCLSA-N 327.384 2.135 30 40 EEEB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 6636109 ONZHFTUQJQUNRC-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)CO 118935135 DCMCEXCRUWBAFV-ZKHSGZSQSA-N 348.483 2.459 30 40 EEEB N#Cc1nccnc1NCCNC(=O)c1ccc(C(F)(F)F)cc1 58433455 COEJFGDNYDFIQP-UHFFFAOYSA-N 335.289 2.209 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 48382526 OGHUMLUMUJMOOB-CABCVRRESA-N 328.368 2.208 30 40 EEEB N#Cc1cccc(C(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 12823216 XKKQDOGXKWMJOW-INIZCTEOSA-N 332.425 2.130 30 40 EEEB CCc1nnc(N[C@@H]2CCCN(c3cnn(C)c3)C2)c(C#N)c1CC 95412089 YUGUEXPBLAESNE-CYBMUJFWSA-N 339.447 2.287 30 40 EEEB C=C(Br)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 69896813 WYZVXSKAMHQQMH-AWEZNQCLSA-N 334.173 2.234 30 40 EEEB N#Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)c(F)c1 195545862 JDASMNASNYZSKT-KRWDZBQOSA-N 326.371 2.495 30 40 EEEB CCc1ccc(C(=O)O)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 575910556 FOVSCTLVDLMOGH-UHFFFAOYSA-N 345.380 2.323 30 40 EEEB Cn1nnnc1S/C=C\C(=O)c1cccc(Br)c1 16363623 MUJAHTZKKPTVEA-WAYWQWQTSA-N 325.191 2.461 30 40 EEEB C=CCOc1ccccc1C(=O)N1CCC[C@@H](c2nnc(N)o2)C1 585130827 CYGKRBXWXDVBDK-GFCCVEGCSA-N 328.372 2.236 30 40 EEEB Cc1nc2ccc(OCC#N)cc2c(=O)n1-c1ccc2c(c1)OCO2 12389649 GNHSLMOOFBCPPF-UHFFFAOYSA-N 335.319 2.325 30 40 EEEB O=C1O[C@@H](/C(O)=N/c2nc(-c3ccccn3)n[nH]2)Cc2ccccc21 53526194 BFXJLEPCGZOMKD-CYBMUJFWSA-N 335.323 2.236 30 40 EEEB C=CCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(OCC)cc12 4861466 KHYDCTMDDUMPHP-UHFFFAOYSA-N 343.412 2.299 30 40 EEEB CCOS(=O)(=O)c1ccc(OC)c(I)c1 107685901 YGHOBMDNIVQXJN-UHFFFAOYSA-N 342.154 2.025 30 40 EEEB C[C@@](O)(CNS(=O)(=O)c1ccc(CC#N)cc1)c1ccsc1 95433179 ZCTULBXNVHUHSK-OAHLLOKOSA-N 336.438 2.000 30 40 EEEB Cc1cc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)on1 65552399 XKACZTIYOCFPSC-UHFFFAOYSA-N 329.335 2.348 30 40 EEEB Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 95428253 TZZFUUDEDXVRFL-WMLDXEAASA-N 328.391 2.376 30 40 EEEB CN1C(=O)C[C@H](COC(=O)c2cc(C#N)cn2C)[C@H]1c1cccs1 95409372 SRCSFBXBTDSQRU-WBMJQRKESA-N 343.408 2.335 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CSCN1C(=O)C1CCC1 69566617 BCZNNSQABZLIPM-MRXNPFEDSA-N 343.452 2.218 30 40 EEEB N#CCCN(C[C@H]1CCOC1)S(=O)(=O)c1c(F)cccc1Cl 96503240 SCBUJAFAGRLQDD-LLVKDONJSA-N 346.811 2.420 30 40 EEEB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(N3CCCC3)c(C#N)c1)C2 72285420 LVTMNTAUBVUWLP-KRWDZBQOSA-N 349.438 2.408 30 40 EEEB CC[C@H](C)CS(=O)(=O)/N=C(\O)c1cccc2c1O[C@@H](C)C(=O)N2 79029184 XWNHITPJTLFRRQ-UWVGGRQHSA-N 340.401 2.087 30 40 EEEB CC[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)c1ccccc1 36213910 RZPVMLYMMDRJDM-INIZCTEOSA-N 327.384 2.379 30 40 EEEB CC/N=C(/NCCSc1ccccc1F)NCc1noc(C)n1 88927306 XANQHLQBXFNLDE-UHFFFAOYSA-N 337.424 2.365 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)C1 225801122 JCBNMIDFENPFPO-AWEZNQCLSA-N 333.351 2.123 30 40 EEEB Cn1cncc1CN1CC[C@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1 96218880 QMEPEBBTVBUHJS-HKUYNNGSSA-N 337.427 2.137 30 40 EEEB COc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)ncn1 278088605 VILUUNQNSGFGBK-UHFFFAOYSA-N 329.791 2.337 30 40 EEEB CCc1ccc([C@H](COC)NS(=O)(=O)[C@@H]2CC[C@@H](C#N)C2)o1 1615583825 GKZKDBLOQRDUKF-BNOWGMLFSA-N 326.418 2.141 30 40 EEEB N#Cc1ccc(CC(=O)N2CCc3ncnc(NC4CC4)c3CC2)cc1 1565554172 SPYYNPRMJUTXPN-UHFFFAOYSA-N 347.422 2.092 30 40 EEEB N#Cc1ccc(NC(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1 40513532 NYSCIXRZFDSAGV-QGZVFWFLSA-N 328.416 2.277 30 40 EEEB COc1ccc(OC)c([C@H]2NC(=O)C(O)=C2C(=O)c2ccco2)c1 4901685 OZNHIOUBLPLRNL-CQSZACIVSA-N 329.308 2.163 30 40 EEEB C=CCn1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1C 100765365 RTQCYFGSAGERHM-IRXDYDNUSA-N 341.459 2.126 30 40 EEEB COCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C#N)c2)c1 12523250 ZIECZKDMVRLDBY-UHFFFAOYSA-N 338.367 2.194 30 40 EEEB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1 3345437 SJEAINZRCVVYIF-UHFFFAOYSA-N 336.395 2.376 30 40 EEEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1Cc1ccc2c(c1)OCO2 16757351 SAKQRCRPSRIDPO-UHFFFAOYSA-N 348.362 2.004 30 40 EEEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(N2CCOCC2)cc1 409108804 WDAOPCQKDCYMDG-LDADJPATSA-N 327.344 2.272 30 40 EEEB CC/N=C(/NCc1ncnn1C)N1CC[C@H](c2ccccc2)[C@@H](C)C1 225511548 NASMNKYFWGLAII-RDJZCZTQSA-N 340.475 2.406 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)/C=C/c2cccs2)C1 225798650 LMXFHFWBHIQFDB-AAOUONPWSA-N 326.381 2.103 30 40 EEEB COc1cc(OC)cc(C(=O)NCC#CCN2CCCCCC2)c1 75164808 DTSQOHLYNAIQFY-UHFFFAOYSA-N 330.428 2.313 30 40 EEEB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C#N)cc1 96375397 MMUVFPCUQCQSSM-SJPCQFCGSA-N 346.452 2.057 30 40 EEEB Cc1cc(-c2n[nH]c(=S)n2/N=C/c2cccc([N+](=O)[O-])c2)n[nH]1 13142220 ACOMVPZJUCMYRR-VGOFMYFVSA-N 329.345 2.430 30 40 EEEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(F)cc1 4520697 OWWUNWWEYSRQAA-DDHOLCJHSA-N 331.343 2.081 30 40 EEEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(N)=O)n1 4075124 IHWGUPNIHHXKQR-UHFFFAOYSA-N 340.408 2.400 30 40 EEEB Cc1cc(NC(=O)NC[C@@H]2Cc3ccccc3O2)nn1CCC#N 89600879 ARIHERRJTFSWAI-AWEZNQCLSA-N 325.372 2.230 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1/C=N\Cc1ccccc1 408527040 JEBVXGUABFDSGQ-RBFBNPFJSA-N 339.326 2.296 30 40 EEEB C=CCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 78582311 ZGMPEYKJCRTDHR-UHFFFAOYSA-N 344.864 2.497 30 40 EEEB CC(C)NC(=O)N1CC[C@@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1 96238868 RXAYUETVDMOOQE-GOSISDBHSA-N 326.400 2.105 30 40 EEEB CN1C[C@@H](c2ccccc2)[C@]2(CCN(c3ccc(C#N)cn3)C2)C1=O 96161466 UJQZYCVKOWQBAN-FXAWDEMLSA-N 332.407 2.406 30 40 EEEB COCC(=O)N1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 96406514 ZVVUTVUOYXYMKC-UHFFFAOYSA-N 342.321 2.021 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C(=O)NCc1ccco1 71904096 VHYOPVOXROIYQR-MRXNPFEDSA-N 340.339 2.345 30 40 EEEB CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1 55295329 BIVIYANQQUPUQI-KRWDZBQOSA-N 343.452 2.009 30 40 EEEB Cn1c2ccccc2c2nnc(N/N=C\c3ccc([N+](=O)[O-])o3)nc21 5487433 NCTNLQMCZUHCSD-PXNMLYILSA-N 337.299 2.464 30 40 EEEB CO/N=C\Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)=O 12351811 QNXCTLQMEREIIY-NVMNQCDNSA-N 328.324 2.269 30 40 EEEB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)COc1ccc(CC#N)cc1 106661808 BKLFRFXIJCIGRT-QZTJIDSGSA-N 327.428 2.217 30 40 EEEB Cc1nn(-c2ccccc2)c(CN2C(=O)NC3(CCCC3)C2=O)c1C#N 27214881 WFGQKKONXBQCQJ-UHFFFAOYSA-N 349.394 2.417 30 40 EEEB CCCSC/C(O)=N/S(=O)(=O)c1cccc(C(=O)OC)c1 58188154 KNGWYPIJUBIJGP-UHFFFAOYSA-N 331.415 2.262 30 40 EEEB Cn1ncc2c1CC/C(=C\c1ccc(OCCC(=O)O)cc1)C2=O 58179802 QUBTZVVYBIUODG-JLHYYAGUSA-N 326.352 2.486 30 40 EEEB CCC(=O)OC1(C#CCOc2ccc(OC)cc2)CCN(C)CC1 2202827 SLNMDCZGLGUNRF-UHFFFAOYSA-N 331.412 2.495 30 40 EEEB N#Cc1cccc([C@@H]2C[C@H]2/C(O)=N/S(=O)(=O)CC2CCOCC2)c1 83148081 UJIZHQLIQCYXKD-JKSUJKDBSA-N 348.424 2.375 30 40 EEEB C(=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1)\c1ccco1 4178755 IIXBKVUZERGDNJ-SFQUDFHCSA-N 327.392 2.111 30 40 EEEB Cc1nc([C@H](NC(=O)CNc2ccc(C#N)cc2)c2ccccc2)n[nH]1 69812597 DDKRBWULYMSGLW-GOSISDBHSA-N 346.394 2.303 30 40 EEEB N#CCCCN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95999728 ANBAWDAQOSTGPY-GOSISDBHSA-N 326.444 2.103 30 40 EEEB Cc1cc(C)n(CC(=O)Nc2cc(Cl)ccc2O)c(=O)c1C#N 408599503 IAPDKFVPOBATDG-UHFFFAOYSA-N 331.759 2.335 30 40 EEEB Cc1ccc(SCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc1 96491100 VTFVEPOXOSQFHL-OAHLLOKOSA-N 332.473 2.175 30 40 EEEB C[C@H](O)[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 245289669 DJESYXFDJSHQIA-LESCRADOSA-N 327.428 2.146 30 40 EEEB C=CCc1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccc1OC 14397921 HIPCPXXRDCLLIY-UHFFFAOYSA-N 332.400 2.338 30 40 EEEB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/C(C#N)C#N)cc2)s1 18100164 GKXBMQJMGWJZHZ-WUKNDPDISA-N 347.385 2.147 30 40 EEEB C#CCN1C(=O)[C@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 2348013 KRLCFAKGXBWMSQ-LAUBAEHRSA-N 331.371 2.299 30 40 EEEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1nn(C)c3ccccc13)CCO2 107720935 FQFOOKNAYDWOJO-JFIYKMOQSA-N 341.411 2.148 30 40 EEEB Nc1ncc(C(F)(F)F)cc1C#CCN1C(=O)c2ccccc2C1=O 43828057 XGNIRVNYMUNFTD-UHFFFAOYSA-N 345.280 2.330 30 40 EEEB COC(=O)[C@@H]1C(=O)/C(=C(/C)Nc2ccccc2O)C(=O)CC1(C)C 100281822 SMRHUUSBENNFAB-LTBFUDJGSA-N 331.368 2.435 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)NCCc2cccc(Cl)c2)cc1 69811928 QFXPFSRGTOWGMX-UHFFFAOYSA-N 341.798 2.300 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2C[C@H](CC(=O)O)c3ccccc32)cc1 71914648 HXZWZXJQDQKEMG-ZDUSSCGKSA-N 342.376 2.325 30 40 EEEB Cc1nc(C)n([C@@H]2CCCN(C(=O)COc3cccc(C#N)c3)C2)n1 72235484 BHICBXAYYAOKPR-MRXNPFEDSA-N 339.399 2.009 30 40 EEEB COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(c2noc(C)n2)CC1 96417412 UPNYIUARVZXUDL-INIZCTEOSA-N 340.383 2.343 30 40 EEEB C=CCn1c(=S)sc2c(=O)n(CN3CCCCC3=O)cnc21 96491096 KKZUXIFUMSHNCM-UHFFFAOYSA-N 336.442 2.145 30 40 EEEB N#C[C@]1(C(=O)O)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 242495179 FXZHTSSYVPDVHL-UXLLHSPISA-N 327.361 2.221 30 40 EEEB CSc1nc(N/C=C(\C(C)=O)C(=O)C(F)(F)F)nc(C2CC2)n1 100038661 FYYSPTKUBJCAML-VMPITWQZSA-N 346.334 2.487 30 40 EEEB Cc1cc(SCc2n[nH]c(=O)[nH]2)n2c(nc3ccccc32)c1C#N 95459933 XNXGSZYNBZLXRJ-UHFFFAOYSA-N 336.380 2.371 30 40 EEEB C[C@H](NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)c1ccc(C#N)cc1 95416087 WYXFDFWRKCRAKM-MAZHCROVSA-N 326.400 2.072 30 40 EEEB C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O 4488324 XNWCITUFVCNKRD-ZDUSSCGKSA-N 347.396 2.224 30 40 EEEB C#CCOc1cc([C@@H]2CC(=O)Nc3nc(N)sc32)ccc1OC 15107526 XAALLJKFFZJMMW-JTQLQIEISA-N 329.381 2.220 30 40 EEEB COc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6784938 DIFWZLWCKQPQOO-MHWRWJLKSA-N 349.368 2.224 30 40 EEEB N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCOc2ccccc21 43165558 QDIAQJRFRISQLW-OAHLLOKOSA-N 337.383 2.188 30 40 EEEB CCC/C(O)=N/S(=O)(=O)c1ccc(CNC(=O)OCC)cc1 48492763 YUEWUZCSBCVGGS-UHFFFAOYSA-N 328.390 2.378 30 40 EEEB CCOC(=O)/C(=N/Nc1ccccc1C(F)(F)F)N1CCOCC1 3887106 YGLWTMUXBMOKNG-MOSHPQCFSA-N 345.321 2.326 30 40 EEEB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)[C@H](C#N)c1ccccn1)C2=O 49457169 SBQQZRCYVKHVHV-SWLSCSKDSA-N 333.347 2.251 30 40 EEEB N#CC1(NC(=O)COC(=O)c2ccccc2OC(F)F)CCCC1 5292080 YAQKIOKWIXTISW-UHFFFAOYSA-N 338.310 2.397 30 40 EEEB COc1ccccc1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 66239657 IBQYBUSSXSIYNS-UHFFFAOYSA-N 347.378 2.265 30 40 EEEB CCOCCO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccccc1Cl 70003705 YOCZPARKBSKLJU-JTQLQIEISA-N 335.809 2.427 30 40 EEEB CCn1ccnc1CN1CCCN(C(=O)c2ccc(C#N)cc2)CC1 69770261 RRMJPJBGJIXMHN-UHFFFAOYSA-N 337.427 2.123 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1Cc2ccccc21 75118110 DDXGGQVPGJIJJQ-OAHLLOKOSA-N 335.407 2.252 30 40 EEEB C#CC1(OC[C@@H](O)CN(CCO)Cc2ccccc2)CCCCC1 96305975 VCYFDUOGLKXOSA-IBGZPJMESA-N 331.456 2.195 30 40 EEEB C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cccc(C#N)c1F 332400084 SEJPVMHYPRMCNS-CYBMUJFWSA-N 336.374 2.070 30 40 EEEB N#Cc1cc(N2CCO[C@H](Cn3cncn3)C2)ccc1C(F)(F)F 613274144 APIQWEUJGDNDNP-ZDUSSCGKSA-N 337.305 2.074 30 40 EEEB N#C[C@H]1CN(C(=O)c2cccc3c2OCO3)CCN1Cc1ccccc1 74673024 NQZXFFHFHJIPIL-INIZCTEOSA-N 349.390 2.265 30 40 EEEB CN(C[C@H](O)C1CC1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 95411091 SPSZDYHFTQRYTL-HNNXBMFYSA-N 340.345 2.469 30 40 EEEB CCN(CC)/C(N)=N/Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 95948319 KYVDRPDOJVXFKS-HZPDHXFCSA-N 332.492 2.452 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)c3nc4ncccn4n3)c2C#N)C1 924004 HWTLQDHPLIFPBU-VIFPVBQESA-N 338.396 2.435 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)NCc3ccsc3)CC2)c1 46025927 PLFRYELVJKWXNX-UHFFFAOYSA-N 327.413 2.047 30 40 EEEB CC/N=C(\NCC)NCc1cc(Br)c2c(c1)OCO2 66244811 MDWKERMWIHNAPE-UHFFFAOYSA-N 328.210 2.253 30 40 EEEB N#Cc1cc(F)ccc1N1CCC(NC(=O)C2CCOCC2)CC1 95403223 AWPOYYVZBHUSSE-UHFFFAOYSA-N 331.391 2.209 30 40 EEEB N#CCCN(Cc1ccccn1)C(=O)Cn1ccc(C(F)(F)F)n1 69745083 PAHGNLSJWNAXNT-UHFFFAOYSA-N 337.305 2.239 30 40 EEEB O=C1CCCC2=C1[C@H](c1coc3ccccc3c1=O)n1ncnc1N2 18195730 UCYUKFZXEDHKOG-INIZCTEOSA-N 334.335 2.407 30 40 EEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/Cc1ccco1 408528782 WISHMRIACQKGOQ-VVSAQIQQSA-N 345.742 2.403 30 40 EEEB C=CCOc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(N)=O)cc1 524728995 SPHHOWLSFQWFJE-YSIASYRMSA-N 344.455 2.405 30 40 EEEB biogenic Cc1oc(C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)NC1CC1 38489303 WHOXGQPDUCFURZ-UHFFFAOYSA-N 345.380 2.153 30 40 EEEB CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 96427811 YMLLZPLCKVLNGS-CYBMUJFWSA-N 328.821 2.401 30 40 EEEB C[C@@H]1CN=C(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)S1 96429707 ZGLOYSSCKOTVAH-GFCCVEGCSA-N 327.457 2.055 30 40 EEEB C=CCNc1nc(C(=O)OCC(=O)N(C)Cc2ccco2)cs1 39577699 LSLDJABTIHXICX-UHFFFAOYSA-N 335.385 2.149 30 40 EEEB CC1=CC(=O)C=C(C)C1=NOS(=O)(=O)c1cccc([N+](=O)[O-])c1 5427024 LHTWCVHTPHVLDC-UHFFFAOYSA-N 336.325 2.131 30 40 EEEB O=[N+]([O-])c1cc(Cl)cc(/C=N/CCCN2CCOCC2)c1O 5286917 NNZTYNOXYFQGSF-MHWRWJLKSA-N 327.768 2.095 30 40 EEEB N#Cc1cccc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)c1 1889124990 FPIFNVKGCOAFEW-QGZVFWFLSA-N 329.469 2.346 30 40 EEEB C[C@H]1CN(c2nccc(C#N)n2)CCN1Cc1cc(F)cc(F)c1 2086928913 QUTLMLHHEMDLQT-LBPRGKRZSA-N 329.354 2.337 30 40 EEEB N#Cc1ccc(COC(=O)c2ccc(N3CCOCC3)nc2)c(F)c1 21592301 HQHNJHWGMSUCIL-UHFFFAOYSA-N 341.342 2.286 30 40 EEEB CC(C)C(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 97144740 OHBILCBMRGZKMW-CYBMUJFWSA-N 330.388 2.455 30 40 EEEB N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cccs2)CC1 23732709 VRSSDFUJPJMJQX-UHFFFAOYSA-N 347.465 2.126 30 40 EEEB N#C[C@@]1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCSC1 69658268 WSAITBZDJZLULO-AEFFLSMTSA-N 329.469 2.414 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)nc1 72012262 QLBXSQXNVNHXDD-UHFFFAOYSA-N 331.379 2.397 30 40 EEEB CCC[C@@](C)(C#N)NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 95944069 DYTHNLJDYUQGGG-INIZCTEOSA-N 335.429 2.277 30 40 EEEB Cc1cc(C(F)(F)F)nc(N2CCN(c3ncccc3C#N)CC2)n1 611667576 UCQDVDSHAJLFPB-UHFFFAOYSA-N 348.332 2.397 30 40 EEEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225636673 WELLFUVXPYRHHG-KSZLIROESA-N 341.388 2.344 30 40 EEEB CCc1nn(C)c(CC)c1CN/C(=N/C)NCc1ccn(C(C)C)n1 96484693 XNQUSOPFSPNBJP-UHFFFAOYSA-N 345.495 2.188 30 40 EEEB C=CCOc1ccccc1C(=O)N1CCC(CO)(NCC2CC2)CC1 585130347 NPDMCDBKIKPMBT-UHFFFAOYSA-N 344.455 2.218 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(\O)Cc2csc(C(C)(C)C)n2)cn1 71862764 MKCRDRJWPPFMNP-UHFFFAOYSA-N 342.446 2.062 30 40 EEEB COC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 19805689 LDJKAZIPNKZKMZ-UHFFFAOYSA-N 330.394 2.401 30 40 EEEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3509825 QVJYVVBIMAGEFK-UHFFFAOYSA-N 330.321 2.144 30 40 EEEB C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 5687075 YXZVRWVQISMPBS-MLGOLLRUSA-N 338.363 2.041 30 40 EEEB C=CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1 246397 PQFHZHQSQIULHA-UHFFFAOYSA-N 333.413 2.483 30 40 EEEB CCOCCCn1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O 3250966 GCOHHAYWOUKEPD-UHFFFAOYSA-N 340.379 2.392 30 40 EEEB C#Cc1cccc(NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 65607850 HYPAZAKHQWWINQ-UHFFFAOYSA-N 349.390 2.363 30 40 EEEB Cc1nc(N2CCOCC2)nc(Oc2ccc(C#N)cc2)c1[N+](=O)[O-] 4837350 MVYOQWYBIMNQLV-UHFFFAOYSA-N 341.327 2.194 30 40 EEEB CC[C@@H]1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C[C@H]1N(C)C 89948403 DJMHFHVUNDFIPM-SJLPKXTDSA-N 345.491 2.145 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1/C=N\Cc1ccccc1 408526391 AGFPDSJGQAXNKW-LCONKULVSA-N 339.395 2.141 30 40 EEEB CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 97002479 ZGRAHDNKEAQZAA-CYBMUJFWSA-N 340.387 2.073 30 40 EEEB C[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(C#N)c1 72304539 PNOQCKVEWVAOLQ-ZDUSSCGKSA-N 325.412 2.384 30 40 EEEB CC/N=C(/NCCCOCC1CC1)NCCc1cn2ccccc2n1 95959954 ZJOOMQLXDVIDJC-UHFFFAOYSA-N 343.475 2.249 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2)c1 96407041 VZUBFJYBISRSSD-SFHVURJKSA-N 347.418 2.392 30 40 EEEB Cn1nccc1[C@@H]1OCCC[C@H]1CNc1ccc(Cl)c(C#N)n1 596507085 ZRQRPLSQRLPCRP-MEDUHNTESA-N 331.807 2.920 30 40 EEEB Cc1ccnc(N2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)c1C#N 598931675 KPEZEGLSXGPROK-BXUZGUMPSA-N 325.372 2.489 30 40 EEEB COc1ccccc1OCC#CCNS(=O)(=O)c1cccs1 90610424 LAADUZSUYLMPPM-UHFFFAOYSA-N 337.422 2.117 30 40 EEEB Cc1nn(C[C@H](O)COc2cccc3ccccc23)c(=O)c(C#N)c1C 12766204 AWTBWMOAQFAYJE-INIZCTEOSA-N 349.390 2.325 30 40 EEEB CCOC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 7436521 KQTUTKFAVZBPGR-ZFWWWQNUSA-N 329.400 2.160 30 40 EEEB CCN1CCN(C2CCN(Cc3cc(C#N)ccc3F)CC2)C1=O 69491718 WGBZNNAAXXJPTN-UHFFFAOYSA-N 330.407 2.419 30 40 EEEB N#Cc1cccc(OCCN2CCC[C@H]2C(=O)Nc2nccs2)c1 69776269 XEOIGNVHDRMYJW-HNNXBMFYSA-N 342.424 2.497 30 40 EEEB CS(=O)(=O)CC1(CC(=O)N[C@@H](C#N)c2ccccc2Cl)CC1 95406014 WPHRHJVVWWGMAT-ZDUSSCGKSA-N 340.832 2.236 30 40 EEEB CC/N=C(/NCCc1nc(C)no1)N1CCC[C@@H](C(F)(F)F)C1 172276032 UNLNDZDJKLCYOD-LLVKDONJSA-N 333.358 2.160 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/Cc2ccco2)C1=O 213434032 PSVSZMDFERCTOS-SGPNVBEDSA-N 325.324 2.058 30 40 EEEB N#Cc1cccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2CC[C@@H]2CCCO2)c1 69511008 OCMNEWNJYQUFDU-XYJFISCASA-N 342.395 2.492 30 40 EEEB C=CCNC(=O)CN1CCN(Cc2ccc(Cl)cc2Cl)CC1 23265213 DZGRDLISQONYKR-UHFFFAOYSA-N 342.270 2.413 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccon2)cc1 12265055 QYLHZIPKSHSVAM-VMPITWQZSA-N 328.324 2.435 30 40 EEEB C[C@H](Oc1ccccc1C#N)/C(O)=N/S(=O)(=O)c1cccnc1 42323974 CZPBZWQIFQARQU-NSHDSACASA-N 331.353 2.066 30 40 EEEB N#Cc1c(NC(=O)CCN2CC[C@H](O)C2)sc2c1CCCCC2 71904896 NFEIPALAXGVUPX-LBPRGKRZSA-N 333.457 2.284 30 40 EEEB N#Cc1csc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 84111662 RKRSLWRRKRYVFX-MRXNPFEDSA-N 336.420 2.470 30 40 EEEB CCOc1ccc(-c2cn(C3CN(c4ccc(C#N)nn4)C3)nn2)cc1 95999412 IKKIBZRSNUYQQQ-UHFFFAOYSA-N 347.382 2.067 30 40 EEEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218344881 JPIYBDSJJAMLLX-YQQAZPJKSA-N 335.425 2.223 30 40 EEEB N#Cc1c(F)cccc1NCCNC(=O)[C@H]1COc2ccccc21 79095003 PGHOLJALCIHIAB-AWEZNQCLSA-N 325.343 2.402 30 40 EEEB C=CCN1CCC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)C1=O 96157796 UDPJBTYYXKFERY-UHFFFAOYSA-N 348.468 2.184 30 40 EEEB C#CCN(C)C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@H](C)O 253408832 YUDNMJKXXXMCCE-NSHDSACASA-N 344.367 2.117 30 40 EEEB biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1cccc([N+](=O)[O-])c1 5447296 LMFPLYATWHOPMB-AWEZNQCLSA-N 340.343 2.239 30 40 EEEB O/N=C1\[C@H]2CC[C@H](C2)[C@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 19362810 RYIRYRJWGGJWLR-FVZCUCNDSA-N 343.427 2.162 30 40 EEEB N#Cc1cccc(CN2CCC[C@H](C(=O)N3CCSCC3)C2)c1 1889124989 FPIFNVKGCOAFEW-KRWDZBQOSA-N 329.469 2.346 30 40 EEEB Cn1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2ccc(Cl)cc2)n1 101821981 MLUDGJVEOHRYIX-WXJAXGNASA-N 328.759 2.434 30 40 EEEB C=CCN(c1ccccc1)S(=O)(=O)c1nc2nc(C)cc(C)n2n1 35326789 GXWXDSYUADYXPT-UHFFFAOYSA-N 343.412 2.122 30 40 EEEB Cc1ccc2occ(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c(=O)c2c1 104675437 OSEQKJAITJZJAM-AOOUEGPYSA-N 348.358 2.242 30 40 EEEB CCNc1nc(NCC)nc(N/N=C/c2cc(OC)cc(OC)c2)n1 36289667 IFVYWNJLVWLHOK-VXLYETTFSA-N 345.407 2.198 30 40 EEEB C=C(Br)CNC(=O)Nc1ccccc1CC(=O)N(C)C 49300926 WGWJTQBHXXSAMU-UHFFFAOYSA-N 340.221 2.347 30 40 EEEB Cc1cc(C)c(OCC(=O)OCC(=O)NC2(C#N)CCCC2)c(C)c1 6552030 JOBZALDKXGFULV-UHFFFAOYSA-N 344.411 2.486 30 40 EEEB CN(C1CCN(c2cc(Cl)ccc2C#N)CC1)S(C)(=O)=O 71914504 XBGHTXGOYDGLTE-UHFFFAOYSA-N 327.837 2.072 30 40 EEEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC 409108398 XKRIADZNRPKYPU-LZYBPNLTSA-N 347.287 2.361 30 40 EEEB C=C(Br)CN1C(=O)CCc2cc(OCC(=O)O)ccc21 218792003 ZYMVHHUOJBTTDW-UHFFFAOYSA-N 340.173 2.338 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)N[C@H]1CCOc2c(OC)cc(C)cc21 72230289 ZHORKMYGWPHGNY-DLBZAZTESA-N 342.439 2.431 30 40 EEEB Cc1ccc(C[C@@H](C#N)Sc2nnc(Cn3cncn3)o2)cc1 78383468 QRPLFIDGONBFEI-ZDUSSCGKSA-N 326.385 2.245 30 40 EEEB N#Cc1ccccc1NC(=O)COC(=O)Cn1cnc2ccccc21 3280026 DHHFXQKJGCMZMM-UHFFFAOYSA-N 334.335 2.090 30 40 EEEB CCOC(=O)c1cnc(S[C@@H](C#N)Cc2ccccc2)nc1N 24755391 UNOFWUQSWQLUCY-GFCCVEGCSA-N 328.397 2.462 30 40 EEEB C=CCSC/C(O)=N/S(=O)(=O)c1cccc(C(=O)OC)c1 58188835 DUUKWXGCRAYPPG-UHFFFAOYSA-N 329.399 2.038 30 40 EEEB COc1ccc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)c(OC)c1 5625928 ZHGAFGQXBMCZMA-LZYBPNLTSA-N 344.400 2.165 30 40 EEEB N#Cc1c(NC(=O)[C@@H]2CCS(=O)(=O)C2)sc2c1CCCCC2 71794692 HVEWCJMUOYSOMX-SNVBAGLBSA-N 338.454 2.262 30 40 EEEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CC(F)(F)F)cc1 69453818 LKKXKYRUFRPLCW-NSHDSACASA-N 343.330 2.351 30 40 EEEB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(C#N)c2)c1 24152871 JNOOHTPBPRCMKG-UHFFFAOYSA-N 330.365 2.310 30 40 EEEB C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C1(C#N)CCC1 96422415 WSCDMOVDBBGXQN-INIZCTEOSA-N 326.444 2.007 30 40 EEEB N#Cc1cccc(COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 102127702 PPUHMFWXKATDMC-HZPDHXFCSA-N 340.379 2.167 30 40 EEEB C=CC/N=c1\scc(-c2ccc(OC)cc2)n1N1CCN(C)CC1 16776864 UKWBIJFIIYLLJQ-HNENSFHCSA-N 344.484 2.195 30 40 EEEB NC(=S)/C(=N/Nc1ccccc1C(F)(F)F)C(=O)N1CCCC1 4476678 FLSAKLFZNFENHT-JAIQZWGSSA-N 344.362 2.382 30 40 EEEB CC(C)c1noc(CN2C[C@@H]3CN(c4ncccc4C#N)C[C@H]3C2)n1 2086946006 LPFBTVVTGXCHEA-HUUCEWRRSA-N 338.415 2.028 30 40 EEEB N#CCCN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 20732481 GSYCWTWEYGXMQR-INIZCTEOSA-N 346.818 2.478 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1 32909847 ZAEHPJADPLIDCW-UHFFFAOYSA-N 337.354 2.296 30 40 EEEB COc1cc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)ccc1O 6302828 CCQQWDZIPROAQA-CYBMUJFWSA-N 331.349 2.328 30 40 EEEB O=C1CCc2cc(S(=O)(=O)/N=C(\O)CCc3ccco3)ccc2N1 48643842 XOLFZCRPNUWISF-UHFFFAOYSA-N 348.380 2.442 30 40 EEEB N#CCCCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2ccccc21 4545738 MXXFPDWFNYIEMX-LJQANCHMSA-N 335.363 2.193 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 7652150 VOABAXKZMDLNQH-OZSKJFCKSA-N 345.355 2.206 30 40 EEEB C[C@@H]1CCC[C@@](C#N)(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 76066090 RSJGTVFADNZUFV-BFUOFWGJSA-N 338.411 2.486 30 40 EEEB O=C(NCCO)c1cccc(OCC#Cc2ccc(Cl)cc2)c1 85263620 VQYLFRJCGUUHEG-UHFFFAOYSA-N 329.783 2.493 30 40 EEEB CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)Cc2ccccc21 69162288 OWCBSMFRRDWADM-UHFFFAOYSA-N 327.409 2.199 30 40 EEEB C[C@H](CS)C(=O)N1C[C@H](Sc2ccccc2)C[C@H]1C(=O)O 22007503 UQWLOWFDKAFKAP-RTXFEEFZSA-N 325.455 2.399 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2c[nH]c3ccccc23)C1 225799901 ZZYGLQMJKUMMFQ-LBPRGKRZSA-N 333.351 2.123 30 40 EEEB C[C@@H](NC(=O)C1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 40132946 OIXNUSZGYQLBFY-CQSZACIVSA-N 335.411 2.442 30 40 EEEB N#C[C@H](C(=O)CCc1nc2ccccc2[nH]1)C(=O)Nc1ccccn1 104055789 VCZQQDFPSOQDHN-GFCCVEGCSA-N 333.351 2.238 30 40 EEEB CCOC(=O)N1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 24749062 ADMKYBOJIDFPCX-CMDGGOBGSA-N 330.384 2.035 30 40 EEEB CNC(=O)CN1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 97163542 OTJZHHBAFKATKX-UHFFFAOYSA-N 340.349 2.199 30 40 EEEB C=CCOC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc12 2371385 YDVHBCUNAYTLEX-UHFFFAOYSA-N 326.356 2.156 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)C(=O)NC(C)(C)C 48302415 ATENSNUKTLCCNE-NSHDSACASA-N 342.399 2.283 30 40 EEEB C[C@@H](c1ccccc1)N(C)C(=O)CSc1ncc(C#N)c(N)n1 7047133 TVQGAYXRPUCNED-NSHDSACASA-N 327.413 2.242 30 40 EEEB CC/N=C(/NCc1ccon1)N[C@@H]1CCN(c2c(F)cccc2F)C1 97021828 JMRSVBVHNCATAP-CYBMUJFWSA-N 349.385 2.287 30 40 EEEB CN(C)c1cc(C#N)cc(C(=O)N2CCC3(CCCN3C)CC2)c1 590321450 WQXHUWPQCMMJAY-UHFFFAOYSA-N 326.444 2.325 30 40 EEEB C=C1CCN(c2cccc(S(=O)(=O)N3CCC[C@@H]4C[C@@H]43)n2)CC1 1615046281 PJYSOLYAGUIEAY-CABCVRRESA-N 333.457 2.411 30 40 EEEB C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)C1CC1 514660770 YHUNLZATLMUQBA-APWZRJJASA-N 341.459 2.234 30 40 EEEB C=CCNc1nc(Nc2ccc(OC)cc2)nc(N2CCOCC2)n1 5027571 KYPQNUNKJUIRIK-UHFFFAOYSA-N 342.403 2.058 30 40 EEEB CC(C)NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2cccc(Cl)c2)c1 103590660 QTYOQGTVJQYIMU-AWEZNQCLSA-N 330.775 2.373 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)CCOCC(C)C)c1 58189382 AWJNFBVHKDQWLI-UHFFFAOYSA-N 343.401 2.181 30 40 EEEB CCN(Cc1ccco1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 45373664 PDRUYRIWMJYZDJ-UHFFFAOYSA-N 327.384 2.438 30 40 EEEB CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)n[nH]c1=O 14249084 OSMCIXZGJUNQTQ-NSHDSACASA-N 345.428 2.362 30 40 EEEB CCOC(=O)c1cnn([C@@H]2CCCN(c3cccc(C#N)n3)C2)c1 97032685 MYVNFBUBTOQCHR-OAHLLOKOSA-N 325.372 2.168 30 40 EEEB CSc1nc2n(n1)[C@H](c1cnn(C)c1C)C1=C(CCCC1=O)N2 6921765 KSJGDKMFKNLECJ-CYBMUJFWSA-N 330.417 2.064 30 40 EEEB Cc1cccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@H]2CCCO2)c1 69283145 YXABARFBHJWLQX-QWHCGFSZSA-N 327.402 2.224 30 40 EEEB CC(C)N1CCc2c(C#N)c(NCc3cccnc3)n3cnnc3c2C1 20713829 MQBVBHYBZATCAB-UHFFFAOYSA-N 347.426 2.375 30 40 EEEB C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O 191222728 ZFBMAVRXLXWTMC-CQSZACIVSA-N 333.436 2.006 30 40 EEEB Cc1nn2c(c1C#N)NC(=O)[C@H]2CC(=O)Nc1ccccc1Cl 96194534 KZZLMSNHQMELJO-GFCCVEGCSA-N 329.747 2.239 30 40 EEEB Cn1c(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)nnc1C1CC1 585113319 ISUAHCWMEOTYRO-HNNXBMFYSA-N 336.399 2.172 30 40 EEEB N#Cc1csc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 84111660 RKRSLWRRKRYVFX-INIZCTEOSA-N 336.420 2.470 30 40 EEEB CCCCCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 12934530 KSXWSPGKRKTXFO-UHFFFAOYSA-N 337.445 2.189 30 40 EEEB Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCCO)nc12 100815176 YTZVJLOUVPFWTQ-DEDYPNTBSA-N 336.395 2.026 30 40 EEEB COc1cccc([C@@H](C#N)NC(=O)CCc2ccncc2)c1OC 78510834 WQBYSJKJZFLTMI-OAHLLOKOSA-N 325.368 2.412 30 40 EEEB N#Cc1cccnc1N1CCN(C(=O)c2ccc(Cl)cc2O)CC1 23718203 XYEREXSHLWYGKS-UHFFFAOYSA-N 342.786 2.275 30 40 EEEB CN1CCN(S(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccccc2)C1 35288742 CQLRKHPRACPSLN-SFHVURJKSA-N 341.436 2.236 30 40 EEEB Cc1ccc(S(C)(=O)=O)cc1NCC(=O)NC1(C#N)CCCCC1 11037667 YHLMOHPQINQFHB-UHFFFAOYSA-N 349.456 2.153 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)C2CCCC2)nc1 69696493 NXRAABNVBLGNNY-HNNXBMFYSA-N 349.456 2.479 30 40 EEEB Cc1ncc(CO)c(/C=N/N=C(/S)Nc2ccc(F)cc2)c1O 8692936 AHZAJUMYTRKYHO-CNHKJKLMSA-N 334.376 2.459 30 40 EEEB Cc1ccsc1CNS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] 96421225 SZALRTSYGQTWJN-UHFFFAOYSA-N 337.382 2.315 30 40 EEEB CS(=O)(=O)Nc1cccc(-c2noc(C3(C#N)CCCC3)n2)c1 273634383 AKCUXXPTOVQCGQ-UHFFFAOYSA-N 332.385 2.443 30 40 EEEB Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(OCC#N)cc3)C2)no1 75610195 NQKZLDCZUVCBID-HNNXBMFYSA-N 340.383 2.229 30 40 EEEB CCN1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 17778835 FDOYTASPLREELF-GJOZEXJASA-N 338.863 2.430 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 546369 TZATVPBHQRGROM-CQSZACIVSA-N 329.352 2.159 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 535242 XBZWIIGDTOHFDK-MRXNPFEDSA-N 343.358 2.397 30 40 EEEB Cc1cc2c(c([N+](=O)[O-])c1C)C(=O)C(Br)=C(N)C2=O 1689556 UZVLJPJPXJQZGA-UHFFFAOYSA-N 325.118 2.156 30 40 EEEB C#CCN1C(=O)[C@@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21 2348017 KRLCFAKGXBWMSQ-UTKZUKDTSA-N 331.371 2.299 30 40 EEEB C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(CCCC)cc2)C1=O 6590736 MYCMYHXHJYVOMW-UHFFFAOYSA-N 328.368 2.189 30 40 EEEB COc1cccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 66239671 GJAAGRNJWOQTDW-UHFFFAOYSA-N 347.378 2.265 30 40 EEEB COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(C#N)c1 66577272 VXNSEUVHNLFHGX-UHFFFAOYSA-N 334.328 2.285 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 7612600 UJMPNRJUDSDLRK-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB C=CCN1C[C@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@]2(c2ccccc2)C1 248170350 RPRCGOWIULOATA-ZVDOUQERSA-N 340.467 2.454 30 40 EEEB C[C@@H]1OCCN(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)[C@H]1C 95424455 IHCNDCWFHPCXNN-GJZGRUSLSA-N 342.443 2.346 30 40 EEEB N#CC1(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)CCCCC1 35361672 YAPPGKWYSXJMNY-UHFFFAOYSA-N 344.434 2.290 30 40 EEEB C[C@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 26451072 BVUVBEGZQGRPAK-NEPJUHHUSA-N 333.457 2.404 30 40 EEEB Cc1ccoc1C(=O)NC1CCN(c2nnc(C)c(C)c2C#N)CC1 58293332 QXAWCNKKSJSIAT-UHFFFAOYSA-N 339.399 2.265 30 40 EEEB Cc1ccc(S(=O)(=O)NCC/N=C/c2ccc3c(c2)OCO3)cc1 2475254 HSBBMRSMTSZOJX-WOJGMQOQSA-N 346.408 2.121 30 40 EEEB N#Cc1ccsc1N1CC[C@H](N2CCC[C@H](c3ncc[nH]3)C2)C1=O 83206522 MTYPOHVNMHJLIH-KBPBESRZSA-N 341.440 2.328 30 40 EEEB N#Cc1cc(Br)ccc1N1CCN(c2cccnn2)CC1 96008444 JSCOYWHWYWLNFQ-UHFFFAOYSA-N 344.216 2.437 30 40 EEEB CC1(C)CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CCO1 66620925 XCUJTRVDTQJEMA-UHFFFAOYSA-N 343.427 2.351 30 40 EEEB N#CCCN(C[C@H]1CCOC1)S(=O)(=O)c1cc(F)c(F)cc1F 69451282 NGGUXIVRHXLQCD-SNVBAGLBSA-N 348.346 2.045 30 40 EEEB C#CCN(CC#CC)C(=O)Nc1ccccc1N1CCN(CC)CC1 72304763 VIMZOASXGJLKMH-UHFFFAOYSA-N 338.455 2.319 30 40 EEEB C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 95987302 VTLLHTXVLHZVGK-OAGGEKHMSA-N 346.500 2.330 30 40 EEEB COCC/N=C(/NCc1ccccc1)NCc1cccnc1N(C)C 75583042 JHVBFIGECMSLCV-UHFFFAOYSA-N 341.459 2.029 30 40 EEEB C#Cc1cccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)c1 42635084 MKRLHVAWUDTYGC-OAHLLOKOSA-N 337.301 2.180 30 40 EEEB CN(C(=O)C1(C#N)CCCCC1)[C@@H]1CCN(CC(F)(F)F)C1=O 79002118 IHVONUYGYQEAOV-LLVKDONJSA-N 331.338 2.082 30 40 EEEB N#Cc1ccc(COCC2CCN(CC(=O)N3CCCC3)CC2)cc1 75156593 QARIHGOBMKBJDX-UHFFFAOYSA-N 341.455 2.409 30 40 EEEB N#C[C@@]1(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CCSC1 75093718 UCXCCLRAZHZEHH-KRWDZBQOSA-N 325.393 2.375 30 40 EEEB COc1ccccc1N/N=C(\C(C)=O)S(=O)(=O)c1ccccc1 16138741 GNZHSTMGAMORJF-FBMGVBCBSA-N 332.381 2.484 30 40 EEEB COc1ccccc1/C=N/NC(=N)N/N=C/c1ccccc1OC 17003088 IENIGYDXVJYENX-AYKLPDECSA-N 325.372 2.186 30 40 EEEB C#CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40506383 OMPBZQYWQQTBRX-ZDUSSCGKSA-N 325.195 2.347 30 40 EEEB COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C#N)c2)cc1 32960707 MSFZDVAPLOYOBX-UHFFFAOYSA-N 344.392 2.369 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1ccccc1[N+](=O)[O-] 12349065 YPKJLPPOSJUKGT-AWEZNQCLSA-N 340.343 2.239 30 40 EEEB CSc1ncccc1C(=O)OCC(=O)Nc1ccccc1C#N 3235581 QIMMAUOZHDOJKE-UHFFFAOYSA-N 327.365 2.471 30 40 EEEB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(OCC#N)cc3)C2)no1 75610193 NQKZLDCZUVCBID-OAHLLOKOSA-N 340.383 2.229 30 40 EEEB CC/N=C(/NCCc1nc(C)no1)N1CCC[C@H](C(F)(F)F)C1 172276029 UNLNDZDJKLCYOD-NSHDSACASA-N 333.358 2.160 30 40 EEEB N#Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 6787851 AAMTYOVEKSMGRV-UHFFFAOYSA-N 336.351 2.429 30 40 EEEB N#Cc1ccccc1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 71795757 QDAXQIQZZMGTJI-UHFFFAOYSA-N 326.400 2.425 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)Cc1c(C)nn(C)c1C 96428424 ANLZHWQCNFRZET-GFCCVEGCSA-N 346.456 2.127 30 40 EEEB N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cn[nH]c3)C2)c(F)c1 69035617 DIMMKBJRRWFBBO-LBPRGKRZSA-N 328.351 2.211 30 40 EEEB CN(C)c1ncccc1CNC(=O)NCc1ccc(C#N)cc1F 69772696 MMKOLOPYOAJDKH-UHFFFAOYSA-N 327.363 2.158 30 40 EEEB C=CCNC(=O)CN1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 69930415 UJMSSWRQMVKACF-OAHLLOKOSA-N 344.390 2.239 30 40 EEEB CCCC(=O)NC/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 78556560 PKEVGOFBJMHCCP-UHFFFAOYSA-N 336.772 2.041 30 40 EEEB N#Cc1cccc(N2C[C@@]3(CCN(C4CCOCC4)C3)CC2=O)c1 96238913 GHUFELHTIRIONX-IBGZPJMESA-N 325.412 2.166 30 40 EEEB N#Cc1ccc(S(=O)(=O)CCn2nccc2-c2ccncc2)cc1 95438844 AYFQZZKIAYKMAC-UHFFFAOYSA-N 338.392 2.291 30 40 EEEB C=CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc(F)cc1OC 96041553 DXKXNIFTDQDCET-FRQCXROJSA-N 349.402 2.338 30 40 EEEB N#CCCCOc1cccc(CNC[C@H]2CCc3nncn3C2)c1 75605578 JZDYIYJVRMIHLN-MRXNPFEDSA-N 325.416 2.313 30 40 EEEB N=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2[n+]([O-])c1N 16545142 AGAPUHOZSFRHRF-AWQFTUOYSA-N 340.774 2.053 30 40 EEEB CCC[C@@H](C#N)NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 103469598 PNZQUXPOWDYSRU-NSHDSACASA-N 330.413 2.127 30 40 EEEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)COC1CCCC1 58152386 YDKZDEUBWLTDNL-UHFFFAOYSA-N 332.809 2.481 30 40 EEEB CC/N=C(/NCCSc1ccccc1)NCc1nncn1CC 75613075 IXKWHWRNCNXOCR-UHFFFAOYSA-N 332.477 2.145 30 40 EEEB COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1OC 11530873 LOJKESZLCNLWNO-SGTLLEGYSA-N 348.399 2.304 30 40 EEEB N#Cc1cccc(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)c1 95445449 DPANKYOVFHCQDQ-UHFFFAOYSA-N 348.284 2.227 30 40 EEEB COCCc1nsc(NC2CCN(c3ccc(C#N)cn3)CC2)n1 89420266 ZTEDWQPAKORPAG-UHFFFAOYSA-N 344.444 2.075 30 40 EEEB C=CCn1c(S)nc2cc(C(=O)N(C)C3CCC3)ccc2c1=O 75133494 OTJOYDCCQNSKIZ-UHFFFAOYSA-N 329.425 2.496 30 40 EEEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])ccc1OCC#N 409378131 MJCWHPKDEMHAQK-VCHYOVAHSA-N 327.300 2.347 30 40 EEEB N#C[C@]1(C=O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242538745 JDXNECAAZMFQKI-ZACQAIPSSA-N 329.352 2.474 30 40 EEEB C=CCNC(=O)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1776001339 NTSBBERZTXSWGZ-UHFFFAOYSA-N 338.411 2.443 30 40 EEEB N#Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccc(Cl)cc2)nc1 95407025 IVNDJUSASICVGM-AWEZNQCLSA-N 329.787 2.188 30 40 EEEB C[C@@H](Cc1ccccc1)N1C=C(NC(=O)N=C2C=CC(=O)C=C2)ON1 200239702 KITIAKQQLWGTBF-ZDUSSCGKSA-N 338.367 2.014 30 40 EEEB in-vitro C=CCNC(=O)Cn1cc(OC)c(=O)cc1CSc1ccccc1 10255047 FTNDTODNBYLRHT-UHFFFAOYSA-N 344.436 2.451 30 40 EEEB COCCCNC(=O)C1CCN(c2snc(Cl)c2C#N)CC1 54838180 QHTVLOMDHLLLFL-UHFFFAOYSA-N 342.852 2.037 30 40 EEEB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2C#N)c1 3523794 MKAISFLUNHCVPT-UHFFFAOYSA-N 344.392 2.166 30 40 EEEB N#C[C@H](C(=O)CCc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 48976554 CEMZFLUAOPZVGB-HUUCEWRRSA-N 334.803 2.277 30 40 EEEB C#CCCN1CCN(C(=O)c2c(C)nc(C(C)C)nc2SC)CC1 81624107 GPECJQCHVMYEDF-UHFFFAOYSA-N 346.500 2.411 30 40 EEEB N#CC1(NC(=O)CSc2nc3sccc3c(=O)[nH]2)CCCC1 8456807 IYTFUHZXYSFOPK-UHFFFAOYSA-N 334.426 2.029 30 40 EEEB O=[N+]([O-])c1ccc(OCC#Cc2ccc(F)cc2)c(-n2cnnn2)c1 95438563 XTBKVNMRXPEFAW-UHFFFAOYSA-N 339.286 2.140 30 40 EEEB N#Cc1ccc(F)c(CS(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c1 95980786 CQPUQJKLQDJLKS-UHFFFAOYSA-N 349.343 2.225 30 40 EEEB N#Cc1cccc(OCCCN2CCN(C(=O)c3ccoc3)CC2)c1 89780704 RRJHRVXZRSURCQ-UHFFFAOYSA-N 339.395 2.378 30 40 EEEB O=C(COc1ccc(/C=N\c2ccccc2O)cc1)N1CCOCC1 409228281 WQXAOCZXHKOBTN-MOSHPQCFSA-N 340.379 2.380 30 40 EEEB Cc1nc(C)c(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)s1 225482377 DBWBSKJYVYFXCY-LBPRGKRZSA-N 343.412 2.105 30 40 EEEB C#CCSCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 253370058 LMSTZSNNAYXSEG-XHSDSOJGSA-N 344.484 2.097 30 40 EEEB C#CCOc1cccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 250642176 HXUQIKAKBLYFBU-YAHPSVDKSA-N 346.386 2.086 30 40 EEEB C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(CCO)CC2)CC(C)(C)C1 19361280 PURXJYWXKBULRX-IXDOHACOSA-N 344.565 2.126 30 40 EEEB N#Cc1ccc(N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)cn1 1888916370 BRIMEALSIUXVNH-GASCZTMLSA-N 332.411 2.193 30 40 EEEB CN(C)CCC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 97114657 UPSOTJYHTLJTPR-UHFFFAOYSA-N 339.436 2.050 30 40 EEEB CC(C)(C)OC(=O)NCC/C(O)=N/c1nc(-c2ccccn2)n[nH]1 47343032 LAHOMLDUOBWHOA-UHFFFAOYSA-N 332.364 2.370 30 40 EEEB C#CC(CC)(CC)NC(=O)CN1CCN(c2ccccc2OC)CC1 57386173 GHIMBAGOTDHNCI-UHFFFAOYSA-N 343.471 2.125 30 40 EEEB C#CCNC(=O)CCNC(=O)/C=C/c1c(Cl)cccc1Cl 58135139 KECKQMIVQYORQH-VOTSOKGWSA-N 325.195 2.262 30 40 EEEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cccc(C#N)c2)C1=O 58208482 MUGIOIXCVJCDDW-IBGZPJMESA-N 330.347 2.397 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)N(CC#N)Cc2ccccc2)c1 44979181 ZTIACLMQRRMFTH-UHFFFAOYSA-N 344.392 2.188 30 40 EEEB C[C@@H]1CN(/C=N\N=C/c2ccco2)CCN1/C=N\N=C/c1ccco1 104098874 FWRLLHIAUFXBGW-JBHBUHOUSA-N 340.387 2.303 30 40 EEEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)c1ccccc1F 36612024 UXFAYJVVXYUXFF-UHFFFAOYSA-N 344.268 2.479 30 40 EEEB N#Cc1cccnc1N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 65626505 MXBFBJGXPPHVFQ-UHFFFAOYSA-N 337.383 2.226 30 40 EEEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCC(=O)NC1 96416965 SHQZLDHJYDKXGC-LLVKDONJSA-N 342.317 2.279 30 40 EEEB N#CCCN(CCC#N)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 16383577 MIUNUSVRAWFCMN-UHFFFAOYSA-N 329.276 2.013 30 40 EEEB O=C(C#Cc1ccccc1)NCCS(=O)(=O)c1ccc(Cl)cc1 81584935 FFWBBHWUJMKXLU-UHFFFAOYSA-N 347.823 2.282 30 40 EEEB Cc1ccc2oc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2n1 69416308 SOBXFJADMUPQHK-UHFFFAOYSA-N 347.378 2.365 30 40 EEEB N#Cc1c(F)cccc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 32923524 PLOCUQAMQYDYJG-UHFFFAOYSA-N 327.319 2.327 30 40 EEEB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C1(C#N)C#N 218199697 DEGNIUPVGFSGFV-NWDGAFQWSA-N 339.214 2.383 30 40 EEEB C=CCOc1ccc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc1 224219054 IXIADYBOJIHYPL-SDNWHVSQSA-N 328.393 2.064 30 40 EEEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 225923759 AARCPYDFEOHBIW-UHFFFAOYSA-N 332.477 2.149 30 40 EEEB COC(=O)C[C@H]1CSCCN1Cc1c(F)cc(C#N)cc1F 194410532 UBZNDDMRTQVAPL-NSHDSACASA-N 326.368 2.317 30 40 EEEB N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H](N)c1c(F)cccc1F)C2 1580072410 QXQIFVWGKAFTKT-GUYCJALGSA-N 327.334 2.120 30 40 EEEB Cc1ncc(CN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)s1 46772767 CTUYENPVMYFCIE-UHFFFAOYSA-N 344.440 2.220 30 40 EEEB C#CCNC(=O)C1(C[C@@H]2CC(c3ccc(C)cc3)=NO2)CCOCC1 12365671 FBPXQCWTYTYDAF-KRWDZBQOSA-N 340.423 2.424 30 40 EEEB Cc1cnn(-c2cccc(N3CCN(c4ccc(C#N)cn4)CC3)n2)c1 363718904 AHBYSXBCMGIGDP-UHFFFAOYSA-N 345.410 2.169 30 40 EEEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nncs1 47497686 YLYWREGNAVVPIA-UHFFFAOYSA-N 330.417 2.005 30 40 EEEB N#Cc1ccc(N2CC[C@H](Nc3ccc(-n4cncn4)cc3)C2=O)cc1 79048338 BTXFXIBLROQTGB-SFHVURJKSA-N 344.378 2.356 30 40 EEEB Cc1nnc(NCc2ccccc2CN2CCOCC2)c(C#N)c1C 24054569 SUSQOBOHNAVFFV-UHFFFAOYSA-N 337.427 2.409 30 40 EEEB N#Cc1ccccc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 58160235 YSOLLULCOWUQNA-UHFFFAOYSA-N 336.395 2.025 30 40 EEEB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)C2(C#N)CCC2)c1 58280064 KHPDGPQARZKVLI-UHFFFAOYSA-N 349.456 2.235 30 40 EEEB CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl 58290701 GGIWQNLJDHPREN-SNVBAGLBSA-N 344.820 2.297 30 40 EEEB CC[C@H](c1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)o1)N(C)C 3332124 DMDJTTAZDUTRCJ-ABAIWWIYSA-N 339.465 2.229 30 40 EEEB COc1ccc(/C=N/N2CC(=O)NC2=O)cc1OCc1ccccc1 8216805 GMJKORKLAYUCPU-VXLYETTFSA-N 339.351 2.160 30 40 EEEB C#CC[C@H](NC(=O)Nc1ccc(OC2CCCC2)c(F)c1)C(N)=O 95942674 QOTHOPDPTPEHEE-AWEZNQCLSA-N 333.363 2.146 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(C(=O)c4ccoc4)C3)C2)n1 96047695 CJPUDKTZFDJTBL-YJBOKZPZSA-N 338.367 2.032 30 40 EEEB CC(C)(C#N)c1ccc(S(=O)(=O)N2CC(OC(F)F)C2)cc1 593582071 UDIJIKNKHZYWME-UHFFFAOYSA-N 330.356 2.100 30 40 EEEB N#Cc1ccc(C2(NC(=O)c3nc[nH]c4nccc3-4)CCOCC2)cc1 600475860 JSWQPOQWFVFBCC-UHFFFAOYSA-N 347.378 2.217 30 40 EEEB C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 10386076 MALVGWDLGPYPPM-UITAMQMPSA-N 340.836 2.234 30 40 EEEB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CCC#N)CC3)c2c1 20728368 OPOQIDAITHQMRU-QGZVFWFLSA-N 326.400 2.133 30 40 EEEB C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1=O 12136874 DNABLONTCYBMCV-GFCCVEGCSA-N 349.368 2.482 30 40 EEEB CCOc1ccc(/C=N/Nc2cc(C)nc(N3CCOCC3)n2)cc1 4837215 ILDQEXUKJZZGII-CPNJWEJPSA-N 341.415 2.466 30 40 EEEB C[C@H](Cc1ccc(F)cc1)NC(=O)CN(C)c1ccc(C#N)cn1 67797983 PFGWBTAYXWSXTM-CYBMUJFWSA-N 326.375 2.276 30 40 EEEB C=CCNC(=O)[C@H](C)OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 7463270 OWHWLYFZCOFVMI-BBRMVZONSA-N 333.384 2.092 30 40 EEEB C=CCNC(=O)[C@H](C)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 69778309 YLKPZXWNWRYBAO-SWLSCSKDSA-N 335.835 2.068 30 40 EEEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC(=O)N(C)C 95953627 DAWQQRBKBWTXSQ-ZDUSSCGKSA-N 348.472 2.039 30 40 EEEB C=CCNc1ccc(S(=O)(=O)N[C@H](C)CCC)cc1C(=O)O 217656788 TVCZEHYGXBLHCH-LLVKDONJSA-N 326.418 2.450 30 40 EEEB C=CCc1cc(CNC(=O)CCc2cnn(C)c2)cc(OC)c1OC 50525454 NOUDBPMDJOJVEA-UHFFFAOYSA-N 343.427 2.415 30 40 EEEB CCn1cc([C@H]2OCC[C@H]2CNCc2cc(C#N)n(C)c2C)cn1 83843484 PSYDBKHBZJVLIU-KSSFIOAISA-N 327.432 2.289 30 40 EEEB CCc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)nc(C)n1 76041090 NSEYXKXZROSNLH-UHFFFAOYSA-N 339.399 2.096 30 40 EEEB C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 97033024 LJHFPIUOLRVGIY-UGSOOPFHSA-N 346.394 2.016 30 40 EEEB N#Cc1ccc(N2CC(n3nc(-c4ccccc4)ccc3=O)C2)nc1 1775972445 GSPSZNGJFUGMHS-UHFFFAOYSA-N 329.363 2.238 30 40 EEEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc2c(c1)OCO2 542954 UHFYXAFVYHFVBG-DNTJNYDQSA-N 332.319 2.489 30 40 EEEB COc1ccc(/C(O)=N/S(=O)(=O)c2cccs2)c(OC)c1 48427076 FGJXQRLZNPPTNN-UHFFFAOYSA-N 327.383 2.459 30 40 EEEB COc1ccc(N2CC(=O)C(c3nc(C)cs3)=C2N)c(OC)c1 13722830 OUJMVDXLUWMMEC-UHFFFAOYSA-N 331.397 2.185 30 40 EEEB C=CCN(C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccccc1 14157816 PDLYPEHNQRJTMO-LJQANCHMSA-N 349.434 2.118 30 40 EEEB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O 8325728 ZOGVXABLWLHUGF-QLJPJBMISA-N 346.412 2.059 30 40 EEEB Cc1nc(NC(=O)c2ccc(C(N)=O)cc2)sc1SCC#N 69740873 OPXREFLJQKRDMR-UHFFFAOYSA-N 332.410 2.418 30 40 EEEB C=CCn1nnnc1SC[C@@H](O)c1ccc(Br)cc1 78441027 OLYQHEUSEPVIPT-LLVKDONJSA-N 341.234 2.447 30 40 EEEB CC[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 83537996 WZJZATPNNMFXLM-NSHDSACASA-N 348.346 2.377 30 40 EEEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)C4CC=CC4)C3)CC2=O)c1 96077474 SVHDNMVXCRGOHI-FQEVSTJZSA-N 335.407 2.480 30 40 EEEB O=S(=O)(/N=C(\O)c1ccco1)c1cnn(Cc2ccccc2)c1 96452600 IAUPJLRYTNZFRM-UHFFFAOYSA-N 331.353 2.218 30 40 EEEB C=CCN1CC[C@@H]2OC[C@H](C(=O)NCCc3cccs3)C[C@@H]2C1 96042675 AVMHQXLEQJXXEN-INMHGKMJSA-N 334.485 2.320 30 40 EEEB C/N=C(/NCC1(c2cccc(F)c2)CC1)N(C)Cc1cnn(C)c1 89018334 VTGKLSNSEZFUSO-UHFFFAOYSA-N 329.423 2.298 30 40 EEEB O=C1C(Cl)=C(NNc2ccc([N+](=O)[O-])cn2)C(=O)c2ccccc21 17302281 PAINYZCDNBPKAZ-UHFFFAOYSA-N 344.714 2.436 30 40 EEEB COc1ccc(NC(=O)CO/N=C(\N)c2cccs2)c(OC)c1 50512975 AWIBNUCDXIEGGX-UHFFFAOYSA-N 335.385 2.041 30 40 EEEB O=C1/C(=N\Nc2ccccc2)c2ccccc2N1CN1CCOCC1 100912338 DEBHGCFLCCVNHZ-UZYVYHOESA-N 336.395 2.139 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)NCC=C)cc1 56352840 AYJXMIQQZYKRGT-QGZVFWFLSA-N 340.427 2.420 30 40 EEEB Cc1sc(NC(=O)CN2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)c(C#N)c1C 107358962 AKEVBBXQMMXTAI-LXTVHRRPSA-N 331.441 2.284 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)NCc3cccs3)CC2)c1 44907261 WFJAIVXSPXQCLH-UHFFFAOYSA-N 327.413 2.047 30 40 EEEB Cc1nc(NS(=O)(=O)c2ccc(C#N)cc2F)nc2c1CCCC2 97114380 LJSQKVQCNJCNTD-UHFFFAOYSA-N 346.387 2.475 30 40 EEEB N#Cc1cc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] 97145288 COBIKMRBZDDCGS-WBMJQRKESA-N 340.383 2.446 30 40 EEEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc[nH]2)cc1 69436990 YKDLLSIJRIOLOO-AWEZNQCLSA-N 326.381 2.040 30 40 EEEB N#C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1CC1 97096064 JRYKJPAJFKQKNA-GFCCVEGCSA-N 326.183 2.142 30 40 EEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1cccnc1 408526945 IEZFXAGYXZBKRT-CYBMUJFWSA-N 342.742 2.337 30 40 EEEB C=CCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 113956273 YUHQBLFIWZHKNE-UHFFFAOYSA-N 330.837 2.188 30 40 EEEB C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 195530605 LJCCQWIUTCLMON-GOEBONIOSA-N 345.418 2.481 30 40 EEEB COCc1c([N+](=O)[O-])c(/C=C/c2cccc(O)c2)[nH]c(=O)c1C#N 96252962 PHISQIUMCLXLSD-AATRIKPKSA-N 327.296 2.177 30 40 EEEB N#Cc1cccc(/C=C/C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1 96412699 HMJUBTDLIOVOEW-SHCNBLLESA-N 339.439 2.189 30 40 EEEB C[C@H](CC#N)NS(=O)(=O)c1cnc(N2CC=CCC2)c(Cl)c1 1615045901 HHUAPPVDSLJZTM-LLVKDONJSA-N 340.836 2.082 30 40 EEEB CCN1OC2(CCN(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 1549161201 FLPAKGACOFAESU-UHFFFAOYSA-N 328.372 2.109 30 40 EEEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)c1 1565548103 RHDWNMMRXKAJOQ-SFHVURJKSA-N 341.386 2.406 30 40 EEEB C[C@H](O/N=C/c1ccco1)C(=O)N1CCN(Cc2ccccc2)CC1 25777117 CBGUEXQWOBBPEL-RZKQZQCBSA-N 341.411 2.363 30 40 EEEB COc1cc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1O 9262308 SWAXOTMWKYOUMO-MEDUHNTESA-N 334.335 2.432 30 40 EEEB Cc1oc(NC(=O)CN2CCC(c3ccnn3C)CC2)c(C#N)c1C 58292602 KHLITGWLSQNCBV-UHFFFAOYSA-N 341.415 2.320 30 40 EEEB O=[N+]([O-])c1cccnc1N/N=C/c1ccc(N2CCOCC2)c(F)c1 409128971 SYQCMGCAUWVBBJ-YBFXNURJSA-N 345.334 2.412 30 40 EEEB C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OC)C(=O)NC1=S 4723756 XVDHJOLUGAGKFM-DHZHZOJOSA-N 336.800 2.161 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2C#N)C1=O 408526466 BFIZIJUACJNPGB-CQSZACIVSA-N 346.346 2.468 30 40 EEEB N#Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 16090081 HGCMFICVXNLPSA-UHFFFAOYSA-N 331.349 2.487 30 40 EEEB Cc1occc1C(=O)N1CCN(CCOc2ccccc2C#N)CC1 71821762 GAYDSSPNZRHQNR-UHFFFAOYSA-N 339.395 2.297 30 40 EEEB Cc1noc(C)c1CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 69557611 OEMAKHTWQKDRNI-UHFFFAOYSA-N 346.774 2.114 30 40 EEEB Cc1nnc(NCCCCN2C(=O)c3ccccc3C2=O)c(C#N)c1C 71894557 SSXRCORAPJCCHY-UHFFFAOYSA-N 349.394 2.453 30 40 EEEB C=CCN1CCOCC2(CC(Cc3nc(N(C)C)ncc3F)C2)C1 257270337 MTUIWZMZNWADSX-UHFFFAOYSA-N 334.439 2.139 30 40 EEEB C=CCNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 58379418 VKOLVGWXHNPIIL-UHFFFAOYSA-N 342.467 2.204 30 40 EEEB CCCCN/C(C)=C1\C(=O)C(=O)N(CCOC)[C@@H]1c1ccccc1 100224854 NBPYTPMJSGEPDO-YHKKIHSWSA-N 330.428 2.449 30 40 EEEB CC[C@H]1CCCCN1C(=O)COC(=O)COc1ccc(C#N)cc1 3259544 NBNQNSIIBAJPLY-HNNXBMFYSA-N 330.384 2.271 30 40 EEEB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 408719945 UELFMBWVEJCSNZ-JGXRJBPASA-N 335.157 2.183 30 40 EEEB N#CCc1cccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 69947548 XWKJVHKMXHFRCB-FQEVSTJZSA-N 349.434 2.244 30 40 EEEB C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1nccn1C 585131856 IBTVIRPAIHOPLY-RDJZCZTQSA-N 342.443 2.063 30 40 EEEB N#C[C@@]1(F)CCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)C1 615663560 FCFGHFFEEAYUOQ-INIZCTEOSA-N 338.329 2.477 30 40 EEEB CO[C@@H](C)/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 70036894 CIIRITNUGKGEIS-ZETCQYMHSA-N 336.291 2.257 30 40 EEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCCC3)o2)cc1 12420995 ODYWLBWFJUGMHE-UHFFFAOYSA-N 346.412 2.064 30 40 EEEB Cc1nc2sccn2c1/C=N/Nc1ccc(S(=O)(=O)O)cc1 5072341 LASKBJZIROLUSU-RIYZIHGNSA-N 336.398 2.397 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N(C)C)o2)cc1 12421054 ZFROCQNHXHUXQZ-UHFFFAOYSA-N 348.428 2.310 30 40 EEEB O=c1[nH]c(O)c(/C=N/c2ccccc2)c(=O)n1-c1ccc(F)cc1 100967358 IOHOPKWZVLDBNY-VXLYETTFSA-N 325.299 2.121 30 40 EEEB CN(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 47031698 WTMFFAPSSQHUML-AWEZNQCLSA-N 335.454 2.201 30 40 EEEB O=C(O)c1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)o1 107927198 JSSBCHSZQCSQCK-IFRROFPPSA-N 335.323 2.455 30 40 EEEB N#Cc1cnc(SCC(=O)Nc2ccc(F)c(Cl)c2)nc1N 22031131 QWMBDRPRDWZYBM-UHFFFAOYSA-N 337.767 2.454 30 40 EEEB N#Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 45838346 LZFNEDNHVXFHBP-UHFFFAOYSA-N 337.257 2.283 30 40 EEEB CCOc1cc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)ccc1OC 3560075 RFEVITWRTKVCHT-UABRLCRWSA-N 330.336 2.322 30 40 EEEB CC(=O)C(=NNc1cc([N+](=O)[O-])ccc1Br)C(C)=O 4070968 OTKCPFOSGRMJKV-UHFFFAOYSA-N 328.122 2.303 30 40 EEEB N#Cc1ccc(N2CC[C@H](OC(=O)Cc3cccc(O)c3)C2=O)cc1 65222280 BFNAJNPQMBULFT-KRWDZBQOSA-N 336.347 2.155 30 40 EEEB N#CC1(NC(=O)CNc2ccccc2N2CCCC2=O)CCCC1 15361506 OOHXBDNSLVJQNY-UHFFFAOYSA-N 326.400 2.178 30 40 EEEB CN(CCN1CCOC1=O)Cc1ccc(C#N)cc1Br 97047156 XLHLJBBAJOMQIB-UHFFFAOYSA-N 338.205 2.205 30 40 EEEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3)C2=O)c1 408526515 CSBZWDLKUNRTSV-OAHLLOKOSA-N 337.335 2.297 30 40 EEEB C=CCn1c(NCc2ccc(F)cc2)nc2c(C)nn(C)c2c1=O 32652672 KVIKWBBYKPQSCA-UHFFFAOYSA-N 327.363 2.376 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(\O)c2cc3c(F)cccc3s2)cn1 48675987 VWSJDTGFGABFNA-UHFFFAOYSA-N 339.373 2.467 30 40 EEEB C#CCOc1ccc(F)cc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 76022416 ZVDLETWCQLGYLN-AWEZNQCLSA-N 344.386 2.425 30 40 EEEB CCOc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCC#N 16688883 OOKNALIAJRWPKS-LZYBPNLTSA-N 335.410 2.182 30 40 EEEB N#CC1(C(=O)N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CCCC1 1565550231 VBGFRVHLAYHSJY-VYDXJSESSA-N 341.411 2.303 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C1CC1)N(C)C 40555220 TXPMXOSVIVAVKQ-OAHLLOKOSA-N 326.400 2.320 30 40 EEEB CCN(CC)C(=O)N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 40513554 CSRLEGLXIZOMQP-UHFFFAOYSA-N 329.404 2.170 30 40 EEEB C[C@@H](C1CC1)N(CCC#N)C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 103916998 ROXUBAAXIQOTIM-LBPRGKRZSA-N 349.394 2.330 30 40 EEEB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1 24528721 MRCCNFAVDLKJIG-CYBMUJFWSA-N 349.394 2.153 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc1 58190655 USJKOEHZKZNFRG-UHFFFAOYSA-N 325.347 2.446 30 40 EEEB CCOc1ncccc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 11480356 GAOMEPUWPIQOBL-CYBMUJFWSA-N 345.399 2.368 30 40 EEEB COC(=O)c1cccc(CN2CCN(c3cc(C#N)ccn3)CC2)c1 12944978 ZAYMJBCBEDJNRZ-UHFFFAOYSA-N 336.395 2.062 30 40 EEEB N#CCc1ccc(NC(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1 96013179 MSLGIFNPSQCXRI-INIZCTEOSA-N 325.368 2.183 30 40 EEEB N#Cc1cnn(CCNC(=O)CCc2ccc(Br)cc2)c1 95407198 KOFGWXCMMRZNJK-UHFFFAOYSA-N 347.216 2.266 30 40 EEEB N#Cc1c(Cl)nsc1NCCNC(=O)c1n[nH]c2ccccc12 95403166 BXVILCLUUSGYOG-UHFFFAOYSA-N 346.803 2.386 30 40 EEEB Cc1ccc(CCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)o1 72280024 NAQXTMBZPUFHRQ-UHFFFAOYSA-N 327.384 2.056 30 40 EEEB CO[C@@](C)(/C(O)=N/S(=O)(=O)C[C@H]1CCCCO1)c1ccccc1 78611976 UCMGLQNRBCPZGL-GDBMZVCRSA-N 341.429 2.404 30 40 EEEB N#Cc1c(N2CCN(c3ncccn3)CC2)nsc1-c1cccnc1 46088215 VMJCTEKDWYHAJO-UHFFFAOYSA-N 349.423 2.193 30 40 EEEB CCCCCCCCCCOC(=O)CSc1n[nH]c(=O)[nH]c1=O 98045385 PYYOCTLPZCAQBL-UHFFFAOYSA-N 343.449 2.234 30 40 EEEB CCOC(=O)c1sc2ncn(/N=C/c3ccncc3)c(=O)c2c1C 1454681 KVUWJAMKRSLGNW-UFWORHAWSA-N 342.380 2.220 30 40 EEEB CCc1ncnc(N2C[C@@H]3CN(c4ccc(C#N)nc4)C[C@H]3C2)c1F 1888856537 PRFDRKFDELGICE-STQMWFEESA-N 338.390 2.017 30 40 EEEB N#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCSCC3)C2)cc1 1889125013 MPEAJVYWNHMZRL-QGZVFWFLSA-N 329.469 2.346 30 40 EEEB C=CCN[C@](NC(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F 20533527 VCAYZSRXODIMPV-AWEZNQCLSA-N 330.306 2.014 30 40 EEEB C=CCn1c(COc2ccccc2F)nnc1SCCC(N)=O 32750922 BRDWFYHDGGBNSR-UHFFFAOYSA-N 336.392 2.150 30 40 EEEB CC(C)(CNc1ccc(Br)cc1C#N)NS(C)(=O)=O 97083867 FOADQBMASIHDSV-UHFFFAOYSA-N 346.250 2.060 30 40 EEEB C[C@@H](C(=O)O)[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1 1889290 BYJAGIXHOZUBME-QMMMGPOBSA-O 329.163 2.006 30 40 EEEB CC(=O)Nc1cccc(/C(C)=N/NC(=S)NC[C@H]2CCCO2)c1 5166481 VUZNEWQNZIXWAD-SKCQWOFPSA-N 334.445 2.012 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(O)cc2)nc1 5166943 DMRDBIFOILHUKV-WOJGMQOQSA-N 348.428 2.264 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(=O)n1C1CC1 8212248 RRXNAEITTOQBIL-UHFFFAOYSA-N 349.803 2.162 30 40 EEEB Cc1nn(C)cc1/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2 73087477 MIQSULXYAVJHFC-UHFFFAOYSA-N 333.413 2.301 30 40 EEEB N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H](N)c1c(F)cccc1F)C2 1580072408 QXQIFVWGKAFTKT-CXAGYDPISA-N 327.334 2.120 30 40 EEEB Cn1cc(CNCc2nnc3ccccn23)c(-c2ccc(C#N)cc2)n1 195552822 OLQLKFXEIDOCKA-UHFFFAOYSA-N 343.394 2.291 30 40 EEEB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O 97959338 FDYFJLNRDMUFBF-UHFFFAOYSA-N 340.069 2.332 30 40 EEEB C=CCOc1ccccc1C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 585090966 GPJHMCAOLBKMPI-AWEZNQCLSA-N 328.372 2.151 30 40 EEEB CC1(C)OB(c2cncc(C(=O)NCc3ccccc3)c2)OC1(C)C 204431560 OVOSVFYFOWEHOD-UHFFFAOYSA-N 338.216 2.311 30 40 EEEB COc1cnc(N2CCC(COc3cc(C#N)ccn3)CC2)nc1 1889104482 QOLSBTCKCABIOE-UHFFFAOYSA-N 325.372 2.047 30 40 EEEB COc1cc(C#N)ccc1OC(=O)CCn1cnc2ccccc2c1=O 14682835 AIKQKRBGYKJVQD-UHFFFAOYSA-N 349.346 2.272 30 40 EEEB N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl 6788478 BXGBZXCSCDLFAO-UHFFFAOYSA-N 346.774 2.015 30 40 EEEB C#CCNC(=O)c1ccc(NCCCc2nc3ccccc3[nH]2)nc1 80970319 TYELDSNAMDPZDZ-UHFFFAOYSA-N 333.395 2.366 30 40 EEEB COc1ncccc1C(=O)N1CCN([C@@H](C#N)C2CCCCC2)CC1 71817074 XUCCVRIDNMUKNJ-KRWDZBQOSA-N 342.443 2.320 30 40 EEEB Cc1cnn(C2CN(CC(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 72253834 KKKJQQQXIHEQDO-UHFFFAOYSA-N 341.440 2.109 30 40 EEEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cnn(Cc2ccccc2)c1 138945189 FRUIWNGYLXGQMN-MRXNPFEDSA-N 345.362 2.288 30 40 EEEB N#Cc1cccc(S(=O)(=O)NCc2cccc(-n3ccnc3)c2)c1 96406714 BFAWWLLVPRQQMD-UHFFFAOYSA-N 338.392 2.222 30 40 EEEB Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@](O)(C(=O)O)C3)c2c1 1615572198 STDQQIPGGRWCSU-KRWDZBQOSA-N 345.786 2.484 30 40 EEEB N#Cc1cccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccn3)no2)c1 15674193 UPYNVFZKRXUKGK-WBVHZDCISA-N 347.378 2.311 30 40 EEEB biogenic,in-vitro C=CCNC(=S)N/N=C\c1cc2c(cc1Br)OCO2 16138390 PNVYDFWPGXGGAA-UUASQNMZSA-N 342.218 2.162 30 40 EEEB COc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 113624 FQQCGSBTIWVJIF-UHFFFAOYSA-N 334.379 2.299 30 40 EEEB COc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 422029 HPNZMLWNXDMRDE-UHFFFAOYSA-N 343.408 2.066 30 40 EEEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(F)cc1 4520695 OWWUNWWEYSRQAA-MURWCNHISA-N 331.343 2.081 30 40 EEEB O=C(CNC(=O)c1cc2ccccc2[nH]1)NCC#Cc1ccccc1 72302738 RQJPHSPYHJXCJU-UHFFFAOYSA-N 331.375 2.066 30 40 EEEB C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@@H]1O)C2(C)C 100899323 SDBITTRHSROXCY-OKFBFAQVSA-N 334.456 2.233 30 40 EEEB biogenic,in-vitro C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)C(C)C)c1 58413630 LNDRBFZRRYZLRW-CQSZACIVSA-N 348.468 2.247 30 40 EEEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1OC 409356572 HRKBIBYMMKZABP-UHFFFAOYSA-N 339.351 2.392 30 40 EEEB N#Cc1nccnc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 72082227 BCESTJFQCQAHAA-UHFFFAOYSA-N 338.367 2.237 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](c2ccn[nH]2)C1 83923613 KKUQEBFMGQWSFV-AWEZNQCLSA-N 340.383 2.075 30 40 EEEB CCC(=O)N1CCc2cc(C(=O)Cn3ccc(C)c(C#N)c3=O)ccc21 97094714 TVMCVPOCEYZASV-UHFFFAOYSA-N 349.390 2.210 30 40 EEEB N#CC1(CS(=O)(=O)NCC2(c3c(F)cccc3F)CC2)CC1 96503198 HIVDOLAZYINBML-UHFFFAOYSA-N 326.368 2.220 30 40 EEEB N#Cc1cccc(CNC[C@H]2COCc3c(-c4ccoc4)nnn3C2)c1 96069464 HZWNZGUNYSLSNJ-MRXNPFEDSA-N 349.394 2.346 30 40 EEEB N#C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccccc1F 96445266 FODBFOLMGNETOE-MRXNPFEDSA-N 339.374 2.213 30 40 EEEB Cc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(O)n(CCO)c(=O)c1C#N 108423028 OUKUWECEJSDCGU-ISLYRVAYSA-N 343.299 2.050 30 40 EEEB C[C@H]1CN(C(=O)C2CCN(Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 45803052 JEALSZXGQNKGHW-HOTGVXAUSA-N 341.455 2.406 30 40 EEEB N#Cc1cccc(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 66457012 CBLUWUWSHFMESC-CQSZACIVSA-N 340.358 2.163 30 40 EEEB NS(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2)c([N+](=O)[O-])c1 5944104 LWOBOIZOAGOTCI-CUQLSPFUSA-N 346.368 2.353 30 40 EEEB CCCCCCCCCn1c(S)nc2c1c(=O)n(C)c(=O)n2C 8417845 TYWQYOHXNXTWCQ-UHFFFAOYSA-N 338.477 2.473 30 40 EEEB C=CCN1C(=O)COc2ccc(C(=O)Cn3nnc4ccccc43)cc21 19951255 DTVBLWYMJJIAAG-UHFFFAOYSA-N 348.362 2.226 30 40 EEEB N#Cc1cccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)c1 74369798 XUPSEVABZQOMSJ-UHFFFAOYSA-N 348.450 2.387 30 40 EEEB CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@H]1c1csnn1 84148720 AJLWRYREPOFSCH-AWEZNQCLSA-N 330.438 2.366 30 40 EEEB N#Cc1cc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)ccc1F 96411844 JSQRRLKHVAURRX-AWEZNQCLSA-N 346.406 2.273 30 40 EEEB CNC(=O)C[C@]1(O)CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 591623152 YKHKOKCUFIEFNN-OAHLLOKOSA-N 341.333 2.044 30 40 EEEB Cc1cccc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)n1 299738101 VYSPNIXTVWMWJD-UHFFFAOYSA-N 339.204 2.337 30 40 EEEB CN1CCc2ccc(S(=O)(=O)N(C)c3cccc(C#N)c3)cc21 75108875 LDMFNCYEJQHIOD-UHFFFAOYSA-N 327.409 2.376 30 40 EEEB CCN(CC)c1ccc(/C=N/N2C(=O)N[C@@](C)(CC)C2=O)c(O)c1 3528325 VAUNWVACKTUSRM-SZLZGVTBSA-N 332.404 2.293 30 40 EEEB COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)cc(Cl)c1O 5853817 IWIRAPRROYTNEH-GFCCVEGCSA-N 326.805 2.436 30 40 EEEB N#Cc1ccc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)nc1 1775973384 HUIBBGYMZAOJKU-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB CCCCN/C(O)=N/S(=O)(=O)c1cccc(Br)c1 40116192 GGVFWLREIGDTPM-UHFFFAOYSA-N 335.223 2.442 30 40 EEEB N#Cc1cc([N+](=O)[O-])cn(Cc2nc3ccccc3n2C(F)F)c1=O 31757928 JOWALMMOTWUJKR-UHFFFAOYSA-N 345.265 2.421 30 40 EEEB C=CCOC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@@]1(C)O 101329420 NWUXBZWNOPUFOF-DHSIGJKJSA-N 346.358 2.039 30 40 EEEB N#Cc1cnn(-c2ccc(C(=O)NCC#Cc3ccccc3)cc2)c1N 58279297 IKFSPJSXHDDNQZ-UHFFFAOYSA-N 341.374 2.108 30 40 EEEB CC(C)(NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(F)c1 97379226 MWAIFKSZUMZTFL-UHFFFAOYSA-N 339.370 2.479 30 40 EEEB N/N=C1\c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 100429752 QOSUSOXKSIHHMF-FYWRMAATSA-N 329.228 2.103 30 40 EEEB COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 7216224 HTRZLXWVFRUFCC-UHFFFAOYSA-N 330.409 2.396 30 40 EEEB CCN1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 71921312 AMTDIDQDPUHVNA-GJZGRUSLSA-N 335.448 2.135 30 40 EEEB CN(c1cccnn1)C1CCN(C(=O)C2(C#N)CCCCC2)CC1 69973792 YGHFLTKHTVBEFQ-UHFFFAOYSA-N 327.432 2.378 30 40 EEEB C=C(C)COCCNC(=O)N1CCN(c2nc(C)c(C)s2)CC1 95436323 JUCFANJILASXLK-UHFFFAOYSA-N 338.477 2.184 30 40 EEEB Cc1ccc2c(c1)S(=O)(=O)C(C#N)=NN2c1ccc(C(=O)O)cc1 96511525 NTOOJYITPGAKSC-UHFFFAOYSA-N 341.348 2.456 30 40 EEEB N#CCCCS(=O)(=O)NCCc1ccc(Br)s1 96405535 AFKWBCWFWALSGZ-UHFFFAOYSA-N 337.264 2.276 30 40 EEEB C#CCCCS(=O)(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12 585138773 WXYYNIDVVGGUDM-UHFFFAOYSA-N 334.397 2.500 30 40 EEEB N#Cc1cccnc1NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 71899688 HFBYNMBMIGUBGY-UHFFFAOYSA-N 345.746 2.357 30 40 EEEB COC(=O)[C@@H]1C[C@H]2C(=O)C=CC[C@H]2N1C(=O)OCc1ccccc1 207011733 LLLGKWYSVIONGP-KFWWJZLASA-N 329.352 2.084 30 40 EEEB Cc1cc(N2CCC[C@@H](C(N)=O)C2)n2c(nc3ccccc32)c1C#N 22534771 OEKVYJGKYNABHD-CYBMUJFWSA-N 333.395 2.369 30 40 EEEB C[C@H](C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O 1888881748 DTOGEFFQNMEOOQ-SNVBAGLBSA-N 342.321 2.166 30 40 EEEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1OC 67005 MNBRPDIOSLUATF-INIZCTEOSA-N 326.356 2.317 30 40 EEEB C#CCNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O 21903506 MAHVHFADPQZPQO-UHFFFAOYSA-N 329.425 2.369 30 40 EEEB N#Cc1ccc(OCCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 65553507 WVQJXEFELBUAHH-UHFFFAOYSA-N 347.422 2.416 30 40 EEEB Cc1ccccc1[C@H](C#N)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 66405921 UXRQRPRPYFYBEF-AAEUAGOBSA-N 339.317 2.087 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OCCO2 8735014 IEWAUNRXATZTSB-CYBMUJFWSA-N 338.363 2.413 30 40 EEEB Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 95428251 TZZFUUDEDXVRFL-RHSMWYFYSA-N 328.391 2.376 30 40 EEEB N#Cc1cccc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)c1 96067665 SDGXBSAKPZGTQF-GOSISDBHSA-N 347.418 2.417 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 245289832 FKOYWPBDZWXCPY-GARJFASQSA-N 326.274 2.144 30 40 EEEB N#Cc1ccc(OS(=O)(=O)[C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 1615586694 XHHRUTVLXKRTPZ-NWDGAFQWSA-N 335.303 2.377 30 40 EEEB CC(C)c1nc([C@H](CO)NC(=O)CNc2ccc(C#N)cc2)cs1 585140898 MGFSYHJPJVZJHJ-AWEZNQCLSA-N 344.440 2.400 30 40 EEEB COc1ccc(/C=N/OC(=O)C2CC2)cc1Cn1cc([N+](=O)[O-])cn1 17071800 GXHNESCZMCOOCM-CNHKJKLMSA-N 344.327 2.135 30 40 EEEB Cc1cccc(O[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 238826134 DUJHQILNAUBGGZ-HNNXBMFYSA-N 343.408 2.104 30 40 EEEB N#Cc1ccc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)nc1 1775973285 DRASEUWTVAHYMM-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB CNC(=O)[C@H]1CN(Cc2ccc(C#N)cc2F)c2ccccc2O1 53897095 XCXYLCXELUOMLN-QGZVFWFLSA-N 325.343 2.211 30 40 EEEB Cc1ccc(C[C@@H](C#N)Sc2nnnn2C[C@H]2CCCO2)cc1 48324090 DRNCYVQQMQYIBL-CABCVRRESA-N 329.429 2.388 30 40 EEEB N#Cc1cccnc1N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 49706668 ZYNIBYCFTDRKAD-UHFFFAOYSA-N 345.406 2.326 30 40 EEEB Cc1cc(OS(C)(=O)=O)cc2c1C(=O)/C(=C/c1cccnc1)O2 6662751 JDTVDEVPXJFQAZ-AUWJEWJLSA-N 331.349 2.345 30 40 EEEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2occc2C)cc1 69624280 CHMKMKAWDIAWCC-UHFFFAOYSA-N 334.397 2.446 30 40 EEEB Cc1cccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2)C(=O)O)c1C 548291388 YBKNTHRFYBHISU-INIZCTEOSA-N 344.392 2.279 30 40 EEEB N#Cc1c(F)cccc1S(=O)(=O)N1CCc2c1cccc2[N+](=O)[O-] 96428121 IMBTYJQMLTYQKX-UHFFFAOYSA-N 347.327 2.357 30 40 EEEB N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 96427889 MJIRUEIDOYRAFH-AWEZNQCLSA-N 339.848 2.070 30 40 EEEB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccc(C#N)cc2Cl)C1 591644112 AOOZMGSWUAZMFZ-KRWDZBQOSA-N 335.835 2.017 30 40 EEEB N#Cc1ccc(N2C[C@@H]3CCN(c4nc(C5CC5)ns4)[C@H]3C2)nc1 1889096070 ZDOYBWJPGPXMNU-KBPBESRZSA-N 338.440 2.397 30 40 EEEB CC(=O)N1CCN(c2[nH]c(=S)c(C#N)c3c2COC(C)(C)C3)CC1 496250 KNYPDZPCIYUKJV-UHFFFAOYSA-N 346.456 2.136 30 40 EEEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(C(C)=O)cc1 8300627 KRKGEQVUPUYJNG-QILLFSRXSA-N 325.412 2.354 30 40 EEEB biogenic,in-vitro COc1ccc([C@@H]2CCN(CC(=O)N(CCC#N)CCC#N)C2)cc1 58379510 UIFBAOMJWJRBKG-QGZVFWFLSA-N 340.427 2.140 30 40 EEEB N#Cc1c(F)cccc1N1CCN(Cc2nc(C3CC3)no2)CC1 29860455 KRXXMZGYPGIEMN-UHFFFAOYSA-N 327.363 2.280 30 40 EEEB O=[N+]([O-])c1cc(/C=N/N=C(\S)NCc2ccccc2)c(O)cc1O 11903720 QWPIOIIYWCGPOY-RQZCQDPDSA-N 346.368 2.416 30 40 EEEB Cc1ncc(CO)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O 5119816 QXPIWPPRIKEQDC-CGOBSMCZSA-N 326.278 2.448 30 40 EEEB CC(C)N1C(=O)C[C@H](C(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 95989143 KXSOESDXKXQMIA-NHYWBVRUSA-N 337.782 2.417 30 40 EEEB CC(=O)Nc1cccc(C(=O)NCCNc2cccc(F)c2C#N)c1 47332797 PSZUXLZILIFNQC-UHFFFAOYSA-N 340.358 2.498 30 40 EEEB C[C@@H]1CCc2c(sc(NC(=O)CN3CCO[C@H](C)C3)c2C#N)C1 37191864 XIOFORDSZYDHPS-VXGBXAGGSA-N 333.457 2.404 30 40 EEEB C=C(C)C[C@@H]1N(Cc2ccccc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 6668046 JPJOEQINNVCNRK-QOSLBHJFSA-N 339.391 2.388 30 40 EEEB COc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(C)noc2C)c1 103503680 HTMNSPNEOLTESJ-HNNXBMFYSA-N 327.340 2.190 30 40 EEEB COc1cc(OC)cc(C(=O)ON2C(=O)c3ccccc3C2=O)c1 99315 PWUZPRNDEWYXGF-UHFFFAOYSA-N 327.292 2.072 30 40 EEEB O=C(N/C=N/O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 3128483 SKDGCMIKFAEUOX-UHFFFAOYSA-N 325.299 2.277 30 40 EEEB N#Cc1cc(S(=O)(=O)NCc2cn3ccccc3n2)ccc1Cl 55217769 RAHYISNKFQPEJQ-UHFFFAOYSA-N 346.799 2.338 30 40 EEEB O=C(O)COc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O 2126762 XZQNJJITEYYWAI-OMCISZLKSA-N 340.287 2.495 30 40 EEEB CCCn1c(=O)n(C)c(=O)c2c(S[C@@H](C)C#N)nc(C(C)C)nc21 36810966 AHZSUMBTYLCGNM-JTQLQIEISA-N 347.444 2.028 30 40 EEEB C=CCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1cccc(OC)c1 100112329 GDFMOYYTKCYUAD-GRDNDAEWSA-N 337.441 2.443 30 40 EEEB COc1cccc(C[C@@H]2S/C(=N\N=C\c3ccco3)NC2=O)c1 4306547 YWUOTTFOILBMLW-FBJMNJBLSA-N 329.381 2.452 30 40 EEEB CC/N=C1\S[C@H](CC(=O)Nc2ccccc2OC)C(=O)N1CC 4681921 XWRWKEZCPQIANA-VLUKHXRESA-N 335.429 2.364 30 40 EEEB C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 8267048 YDSQFFSSTCGLIV-CQSZACIVSA-N 344.411 2.257 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)NC2(c3ccccc3)CCC2)cc1 69457271 CFHPUDADRQFIPI-UHFFFAOYSA-N 333.391 2.484 30 40 EEEB Cc1nc(C2(NCC(=O)N[C@](C)(C#N)C3CC3)CCCCCC2)no1 69950080 CINFDLNTNFNXPH-QGZVFWFLSA-N 345.447 2.326 30 40 EEEB Cc1noc(C)c1CN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 97054112 UNSIXHDBJCOBQE-UHFFFAOYSA-N 341.371 2.394 30 40 EEEB CN([C@@H](CCO)c1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 89310230 NXLIBSKACHCGHQ-SFHVURJKSA-N 344.436 2.444 30 40 EEEB Cc1cccc(S(=O)(=O)NCCc2ccccc2C(=O)O)c1C#N 547940312 WYRCHHLXEDPHFH-UHFFFAOYSA-N 344.392 2.086 30 40 EEEB Cc1cc2cc(C#N)c(NCCNC(=O)c3cnccn3)nc2cc1C 35312852 MLEWVVDGYDIPJO-UHFFFAOYSA-N 346.394 2.355 30 40 EEEB C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1cnccn1)[C@H]2CC 96052466 UTLQZLYFIWHGRD-YJBOKZPZSA-N 328.416 2.038 30 40 EEEB Cc1cc(C)c2ncc(C#N)c(N3CCN([C@@H]4CCNC4)CC3)c2c1 333569403 RRXAHPGKBKMOCR-QGZVFWFLSA-N 335.455 2.207 30 40 EEEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NC1CCCC1 5813053 NUCUGNBYEADWMA-LBPRGKRZSA-N 343.383 2.143 30 40 EEEB N#Cc1cccc(N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)n1 1888844399 SZPQTLMMIUTQOO-GJZGRUSLSA-N 332.411 2.193 30 40 EEEB N#Cc1cc(Br)cnc1N1CCC[C@@H](NC(=O)C2CC2)C1 1889070278 MZYBBCJAOPUASB-CYBMUJFWSA-N 349.232 2.211 30 40 EEEB N#Cc1ccc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1 2086992637 QDOWNJOYBZXCGK-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N\n2cnnc2)cc1 52152 SPZUWGYEIPHBHM-GRSHGNNSSA-N 341.396 2.270 30 40 EEEB CC(=O)C1=C(O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1cccc(F)c1 4625905 FKAMLHUDPPRLSO-OAHLLOKOSA-N 329.331 2.076 30 40 EEEB C/C(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)=N/N=C(/N)S 4737592 SIDXNLUESVPAMK-NSIKDUERSA-N 340.257 2.388 30 40 EEEB C=CCOc1ccc(C(=O)N[C@H](C)CN2CCCC2=O)cc1OC 58378972 URGHDFDKORSKSD-CYBMUJFWSA-N 332.400 2.001 30 40 EEEB C=CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)Cc1ccc(OC)cc1)CCO2 107720780 CBKKQPNRZYRQGY-ZHALLVOQSA-N 331.412 2.199 30 40 EEEB CN1CCN(c2ccc(NC(=O)c3cc(C#N)cs3)nc2)CC1 84181970 JGHJUOFPEKIKFQ-UHFFFAOYSA-N 327.413 2.019 30 40 EEEB N#Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1 97036348 DYGPFVVJKYXEMU-UHFFFAOYSA-N 342.330 2.280 30 40 EEEB N#Cc1cccc(/C(O)=N/S(=O)(=O)N2CCc3sccc3C2)c1 71859317 APBGFGWVAHICNG-UHFFFAOYSA-N 347.421 2.227 30 40 EEEB C#Cc1cccc(N(CC)C(=O)c2ccc(S(=O)(=O)NC)cc2)c1 69585129 RFJHRMUOIQQZJN-UHFFFAOYSA-N 342.420 2.243 30 40 EEEB Cc1ncc(CN2CC[C@@H](Nc3nccnc3C#N)[C@@H](C)C2)s1 110613682 BOWLQIKOJRTRTF-SMDDNHRTSA-N 328.445 2.436 30 40 EEEB C[C@H](O)[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 96497126 DJESYXFDJSHQIA-QILLFSRXSA-N 327.428 2.146 30 40 EEEB CN1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccccc1 249027062 LCHUWWUVQXOPHC-NVXWUHKLSA-N 338.415 2.364 30 40 EEEB CCS(=O)(=O)CCN/C(=N/Cc1ccccc1)NC1CCCC1 75583477 OJZYLJDOEXKPLW-UHFFFAOYSA-N 337.489 2.099 30 40 EEEB CCN1C(=O)[C@H](C)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 12438300 FDOYTASPLREELF-RJQXTMFTSA-N 338.863 2.430 30 40 EEEB CC(=O)NCCC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1Cl 100828018 ITLZYNNJLDVWCV-SNVBAGLBSA-N 342.182 2.167 30 40 EEEB Cc1cc(C(=O)N2CCN(c3nnc(C)c(C)c3C#N)CC2)c(C)o1 52488358 OMUJLYOQJKCOTB-UHFFFAOYSA-N 339.399 2.137 30 40 EEEB N#Cc1cccnc1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 54124398 DKOCWOIZBLUKPY-MRXNPFEDSA-N 335.411 2.267 30 40 EEEB C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCOCC3)CCC[C@H]2[C@H]1c1ccccc1 6482277 ONQNHBXJKYZNBG-QFHJOOASSA-N 344.411 2.259 30 40 EEEB N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(CCO)CC1 44974254 MDGXOQFOVZDDFD-UHFFFAOYSA-N 334.782 2.013 30 40 EEEB COc1ccccc1[C@H](NC(=O)N(C)C[C@H](C)C#N)c1nccn1C 45307221 XWCYZRTZQPVHAG-CJNGLKHVSA-N 341.415 2.319 30 40 EEEB C=CCc1ccc(OCC(=O)N2CCC[C@H](C(=O)O)C2)c(OC)c1 13171004 WHTPPYQEUBIGKF-AWEZNQCLSA-N 333.384 2.126 30 40 EEEB Cc1ccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1C 13957038 QOKRSBPFECUOJN-UHFFFAOYSA-N 343.339 2.454 30 40 EEEB CC(C)c1nc(CN2CC[C@H](CNc3ccc(C#N)cn3)C2)no1 65531042 GBPXGEKZAFSULR-CQSZACIVSA-N 326.404 2.394 30 40 EEEB CC(C)C(=O)C1=Cc2cccc([N+](=O)[O-])c2O[C@@H]1N1CCOCC1 19626740 PNCNOXNHJPZNTE-KRWDZBQOSA-N 332.356 2.254 30 40 EEEB COc1ccccc1/C=N/n1c(S)nnc1-c1n[nH]c2c1CCC2 5625665 MLIVJCSKXBWEPP-RQZCQDPDSA-N 340.412 2.336 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)N[C@@H](C)c2ccccc2)C1=O 5817502 DITHLPMPCCHYPA-TZFAWSOVSA-N 327.384 2.266 30 40 EEEB N#CC1(NC(=O)CN2CCCC[C@H]2Cn2cccn2)CCCCC1 71875210 IIYORDQVDWIKCR-INIZCTEOSA-N 329.448 2.080 30 40 EEEB C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cncnc2C1 69704310 TVWXYTIZWVZTSC-CQSZACIVSA-N 342.468 2.500 30 40 EEEB C=CCSCC(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 75145745 ZYFQLVRSCXZQMM-DOTOQJQBSA-N 334.485 2.311 30 40 EEEB N#C[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218411780 SGISAVLCPCVIGQ-IXDOHACOSA-N 331.368 2.268 30 40 EEEB N#CCC[C@@H](C#N)CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 96435845 ITNQCZQCYVWRSJ-INIZCTEOSA-N 344.846 2.470 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 245289833 FKOYWPBDZWXCPY-HBNTYKKESA-N 326.274 2.144 30 40 EEEB N#Cc1ccccc1COc1cccc(C(=O)NCC(=O)NC2CC2)c1 55134880 BSNRCHZNXXWKTA-UHFFFAOYSA-N 349.390 2.146 30 40 EEEB CCOc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 42307292 AADCIMPFMPFZRY-UHFFFAOYSA-N 344.392 2.217 30 40 EEEB N#Cc1ccc(N2CC[C@@H](N3CCC(Cn4cccn4)CC3)C2=O)cc1 106184012 PQQYEERCFGEOJV-LJQANCHMSA-N 349.438 2.272 30 40 EEEB COC(=O)Cc1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1 44867656 XDTMPIWFECNYLN-UHFFFAOYSA-N 330.384 2.124 30 40 EEEB N#Cc1ccccc1CN[C@@H](C(=O)N1CCOCC1)c1ccccc1 58218757 LIUCDKUZBDOFIR-LJQANCHMSA-N 335.407 2.248 30 40 EEEB N#CC1(C(=O)NCCc2noc(-c3ccccn3)n2)CCCCC1 95394903 MXNQWQJNWWHTBT-UHFFFAOYSA-N 325.372 2.264 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(F)cc1 102727709 NGRSEHHLFNJPKL-DPEHCCBOSA-N 345.326 2.487 30 40 EEEB COCC/N=C(/N)NCC1(c2ccc(Br)cc2)CCC1 58405076 BUFUOJSMUCSFAK-UHFFFAOYSA-N 340.265 2.422 30 40 EEEB CNS(=O)(=O)c1ccc(CNc2cccc(F)c2C#N)s1 58537432 YERGKSOLHRBUCG-UHFFFAOYSA-N 325.390 2.279 30 40 EEEB COc1cccc(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)c1OC 48496810 KUSORXAOIDPRCV-UHFFFAOYSA-N 346.364 2.269 30 40 EEEB CC[C@@]1(C)NC(=O)N(/N=C/c2cc(Br)ccc2O)C1=O 3528118 JJRIKYFQELWHNO-BKNIFWKGSA-N 340.177 2.209 30 40 EEEB N#Cc1cccnc1N1CCCN(Cc2nnsc2Cl)CC1 65465790 GWPXTSJHHNZPNP-UHFFFAOYSA-N 334.836 2.170 30 40 EEEB Cc1c(O)ccc(/C=N/Nc2nc3ccccc3n3cnnc23)c1O 4793768 LHFLDSVQKJUNSZ-QGMBQPNBSA-N 334.339 2.443 30 40 EEEB Cn1cc([C@@H]2CCCN2CC(=O)N(CCC#N)Cc2ccco2)cn1 71799337 GLCJSEFFILNQGB-KRWDZBQOSA-N 341.415 2.092 30 40 EEEB Cc1sc(=O)n(CCC(=O)Nc2nn(C(C)C)cc2C#N)c1C 96467413 XIUIIIUWZHDZAZ-UHFFFAOYSA-N 333.417 2.205 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7612601 QVVUANVJLWYPHW-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB Cc1cc(C(=O)N2CCC3(CC2)CN(CC#N)c2ccccc23)[nH]n1 96078852 BMXPRIYDERDZSW-UHFFFAOYSA-N 335.411 2.236 30 40 EEEB C#CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 250646219 JZQVAUKGOXZMMA-YDRNIYSNSA-N 334.375 2.230 30 40 EEEB N#Cc1ccc(OCCN2CCC(c3ccnn3CCO)CC2)cc1 58305853 MRWPZCMFFVGQQJ-UHFFFAOYSA-N 340.427 2.005 30 40 EEEB C=CCCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2 108533380 PUTLLBMRGAQJBX-UHFFFAOYSA-N 327.428 2.389 30 40 EEEB N#Cc1cccc([C@H]2C[C@H]2/C(O)=N/S(=O)(=O)CC2CCOCC2)c1 83148082 UJIZHQLIQCYXKD-HZPDHXFCSA-N 348.424 2.375 30 40 EEEB C=CCO[C@@H](C)C(=O)Nc1ncccc1I 69452034 ITELHPLOIYVDFU-QMMMGPOBSA-N 332.141 2.216 30 40 EEEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccncc2)cc1 69571597 QIASJGHOWWEUSQ-OAHLLOKOSA-N 338.392 2.107 30 40 EEEB CN1C(=O)CC[C@@H](C(=O)NCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 83877215 JRNFPAOSMPXYNS-TZMCWYRMSA-N 339.317 2.255 30 40 EEEB Cc1ccn(Cc2c(C#N)c(C)nn2-c2ccccc2)c(=O)c1C#N 97094694 JGZBMJWEWNQHPI-UHFFFAOYSA-N 329.363 2.443 30 40 EEEB CN1CCC[C@@H](CNC(=O)c2ccc(C#N)cc2)[C@@H]1c1cncn1C 583619614 JBQCDLHXANDHGE-FUHWJXTLSA-N 337.427 2.105 30 40 EEEB COc1cc(C)ccc1OCC(=O)Nc1nc2n(c1C#N)CCS2 69739409 BZAVYCYXXAEBLA-UHFFFAOYSA-N 344.396 2.195 30 40 EEEB CCc1ccc([C@H](COC)NS(=O)(=O)[C@H]2CC[C@H](C#N)C2)o1 1615583834 GKZKDBLOQRDUKF-UBHSHLNASA-N 326.418 2.141 30 40 EEEB N#Cc1ccc(OCCCN2CCC(NC(=O)C3CC3)CC2)cc1 40120381 BYCCNDRFGFYLTR-UHFFFAOYSA-N 327.428 2.318 30 40 EEEB O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNCCc1c[nH]cn1 100432718 BLTGXTUPQNDBHV-UHFFFAOYSA-N 327.359 2.281 30 40 EEEB N#Cc1nc(NC(=O)c2ccn(-c3ccccc3Cl)n2)[nH]c1C#N 51342736 GMSJDEKGWRCLEV-UHFFFAOYSA-N 337.730 2.244 30 40 EEEB Cc1sc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C#N)c1C 103053049 SHALZIRGVWMPSI-TXEJJXNPSA-N 343.408 2.126 30 40 EEEB C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1=O 4783715 NLXFVFUUURHGAH-LBPRGKRZSA-N 349.368 2.482 30 40 EEEB CN1CCCC[C@H]1CCN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 69150400 ISPZONPJCPNRFQ-QFBILLFUSA-N 340.427 2.200 30 40 EEEB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O 8325727 ZOGVXABLWLHUGF-QFYYESIMSA-N 346.412 2.059 30 40 EEEB CC(=O)Nc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1 31723663 NGMKRGVLFSGKIJ-BOPFTXTBSA-N 331.397 2.266 30 40 EEEB Cc1c(O)ccc(/C=N\Nc2nc3ccccc3n3cnnc23)c1O 86069715 LHFLDSVQKJUNSZ-LSCVHKIXSA-N 334.339 2.443 30 40 EEEB C[C@@H](CC#N)NS(=O)(=O)c1cnc(N2CCC[C@H]2C)c(Cl)c1 1615046055 UHMPELKUCWDGNI-WDEREUQCSA-N 342.852 2.304 30 40 EEEB C=CC/N=C(/NCCCS(=O)(=O)Cc1ccccc1)N1CCCC1 69514427 NJXPBVWNXBQBEN-UHFFFAOYSA-N 349.500 2.219 30 40 EEEB C=C1c2c(O)c(C)c(O)c(C(C)=O)c2O[C@]12CC(=O)C(C(=O)O)=C2C 5395562 JNLCDXSLOIQRQR-SFHVURJKSA-N 344.319 2.127 30 40 EEEB CS(=O)(=O)Cc1cccc(C(=O)NCC#Cc2ccccc2)c1 32899032 RMFHKPNMRYYWLV-UHFFFAOYSA-N 327.405 2.013 30 40 EEEB COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2nccs2)ccc1O 551718 IYHIAWPJCJFCFC-ZDUSSCGKSA-N 346.364 2.346 30 40 EEEB COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1cccc(F)c1 979578 RSHNEYBTHIOKJQ-DJKKODMXSA-N 347.371 2.221 30 40 EEEB Cc1ccccc1[C@@H](C#N)C(=O)C(=O)Nc1nc([N+](=O)[O-])cs1 6491570 FCDFNDOGLWRWSQ-SNVBAGLBSA-N 330.325 2.175 30 40 EEEB Oc1ccc(/C=N\NC(=S)N[C@@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c(O)c1 104215897 WBQNOLKWDAGQAC-XQSRIREUSA-N 343.452 2.497 30 40 EEEB CCCC(=O)Nc1ccc(C/N=C(/N)NCCc2ccccn2)cc1 72272490 TXXOMSJORKECRT-UHFFFAOYSA-N 339.443 2.467 30 40 EEEB COC(=O)[C@H](NCc1cccc(-c2nc[nH]n2)c1)c1cccc(C#N)c1 83031688 VAFOUKQTBYFCCR-QGZVFWFLSA-N 347.378 2.347 30 40 EEEB N#Cc1cccc(CNC(=O)C[C@H](NC(N)=O)c2cccs2)c1 44918627 LPTYVTZEFFLTEV-ZDUSSCGKSA-N 328.397 2.036 30 40 EEEB CCCC[C@]1(C)C[C@]2(C)C3=C(O1)C(=O)[C@@H](C)OC3=C(O)C(=O)[C@@H]2O 107428370 LWSJDCYEVJLGHQ-QWPSHLGUSA-N 336.384 2.317 30 40 EEEB biogenic,in-vitro Cc1nn(C)c(Cl)c1/C=N/NS(=O)(=O)c1ccccc1Cl 2146117 CMOLZFOWNMCAMW-VIZOYTHASA-N 347.227 2.348 30 40 EEEB C=CCOc1ccc(C(=O)N2CC3(CCN(CCOC)C3)C2)cc1 1072862145 PKGHKHUSWRNFBG-UHFFFAOYSA-N 330.428 2.046 30 40 EEEB CCN1CCN(CCCCNC(=O)Nc2ccc(C#N)cc2)CC1 31091846 PZOIORVTOPUAEB-UHFFFAOYSA-N 329.448 2.097 30 40 EEEB Cc1csc(C/C(N)=N/OCC(=O)Nc2ccc(C)c(F)c2)n1 40555861 KJAKXEQQNODQMC-UHFFFAOYSA-N 336.392 2.369 30 40 EEEB Cn1c(Oc2ccc(Cl)cc2Cl)c(C#N)c(=O)n(C)c1=O 22194219 UAZCRFULOCHWSU-UHFFFAOYSA-N 326.139 2.055 30 40 EEEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 57460495 KCMVJZQOPSBRDG-CYBMUJFWSA-N 341.440 2.164 30 40 EEEB COC(=O)c1cccc(OC[C@H](O)CN(CCC#N)CC(C)C)c1 6552526 ULGWJAFIIXZFNX-MRXNPFEDSA-N 334.416 2.085 30 40 EEEB CCNC(=O)c1cc(NC(=O)c2cc(C#N)c[nH]2)nc2ccccc12 95450654 JOUKTEVJYWUWNQ-UHFFFAOYSA-N 333.351 2.437 30 40 EEEB Cc1oc(NC(=O)CN(C)Cc2nccn2C(F)F)c(C#N)c1C 72767012 HMJRRWOUADLRFV-UHFFFAOYSA-N 337.330 2.430 30 40 EEEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cc(-c3ccccc3)on1)C2 225681295 JLLZZPYZJBCDMJ-UHFFFAOYSA-N 346.346 2.100 30 40 EEEB Cc1ccc(S(=O)(=O)N/N=C/C=C/c2ccco2)cc1[N+](=O)[O-] 63354492 LFHWTDULLUNCTM-SHURXDFTSA-N 335.341 2.474 30 40 EEEB C=CCn1c2c(ccc1=O)C[C@@H](NC(=O)Cc1ccsc1)CC2 96067645 WYRCEUXQUYJDEM-HNNXBMFYSA-N 328.437 2.312 30 40 EEEB O=C(NCC#CCOc1ccc2c(c1)OCO2)NC1CCCCC1 90730923 GHVPQTYOFMPJDF-UHFFFAOYSA-N 330.384 2.429 30 40 EEEB Cc1n[nH]c(-c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2)n1 74029432 DBANFBSLRULISP-UHFFFAOYSA-N 347.378 2.461 30 40 EEEB C[C@H](c1ccc(C#N)cc1)N1CCO[C@H](CN(C)c2cccnn2)C1 89904741 VGLSZKACOSCBHE-CRAIPNDOSA-N 337.427 2.246 30 40 EEEB COC1(OC)[C@H](c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC 5521169 KUOSDEHGHAPCBN-CYBMUJFWSA-N 336.775 2.449 30 40 EEEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CO)cc1 13123602 RSNFETWWZIRPOF-INIZCTEOSA-N 339.347 2.223 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)NCCCN1CCCCCC1=O 40501972 RZIGNGJRQYHZBH-HNNXBMFYSA-N 343.427 2.234 30 40 EEEB C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)C[C@@H]1CCCCO1 79013882 JVRLBKVCSCADIS-HNNXBMFYSA-N 347.440 2.474 30 40 EEEB C=CCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12 2392659 JTGFMDPFSYPFMD-UHFFFAOYSA-N 339.399 2.119 30 40 EEEB N#Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)nc1 87499817 MNJXQZRBDWNNMO-GFCCVEGCSA-N 328.322 2.240 30 40 EEEB CN(CC#N)S(=O)(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1 97114279 TYSQIQNSLNVUGH-UHFFFAOYSA-N 344.318 2.035 30 40 EEEB Cc1cc(C)nc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 97142852 YGCKLNJHQZZFLX-UHFFFAOYSA-N 336.399 2.319 30 40 EEEB C#CC(CC)(CC)NC(=O)CSc1nnnn1-c1ccccc1C 14093815 OOUWOCMSWPQBBV-UHFFFAOYSA-N 343.456 2.371 30 40 EEEB N#CCC(=O)Nc1ccc(C(=O)OCc2nnsc2Cl)cc1 21664591 MFCLPIFQNKTURS-UHFFFAOYSA-N 336.760 2.401 30 40 EEEB C#CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCC 4675954 YPBNYIAKRFVKAD-GDNBJRDFSA-N 344.392 2.204 30 40 EEEB O=[N+]([O-])[C@H](/C=N\OCc1ccccc1)S(=O)(=O)c1ccccc1 5518362 HOFTUJQQLFXKHG-CNYBTUBUSA-N 334.353 2.266 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2Cl)cc1 95433157 IANKWLWFMJBJTR-OAHLLOKOSA-N 336.800 2.224 30 40 EEEB C=CCOc1ccc(NC(=S)NCCCN2CCOCC2)cc1 225586026 QIMVLFLIBYNVRV-UHFFFAOYSA-N 335.473 2.260 30 40 EEEB C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 96428223 OOVKCGHONIAULK-RISCZKNCSA-N 341.864 2.172 30 40 EEEB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/C(C#N)C#N)cc2)n1 17967194 VNPAEOJKPPELQG-FMQUCBEESA-N 341.356 2.085 30 40 EEEB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 585146929 OQEIESLTVRGBCI-MRXNPFEDSA-N 334.441 2.234 30 40 EEEB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 585146928 OQEIESLTVRGBCI-INIZCTEOSA-N 334.441 2.234 30 40 EEEB N#Cc1c(COC(=O)c2ccc(-n3cncn3)nc2)cn2ccccc12 32902128 PGBSPJJVKUSSSS-UHFFFAOYSA-N 344.334 2.144 30 40 EEEB Cn1cc([C@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cn1 106837547 XDUDEUYGMVMGMS-IEBWSBKVSA-N 340.427 2.063 30 40 EEEB NC(=O)c1cc(C2=NN/C(=N\c3ccccc3)SC2)ccc1O 15404646 RRTYTVCFKOGZPL-UHFFFAOYSA-N 326.381 2.219 30 40 EEEB COCCCNC(=O)CN(C)c1c(C#N)cnc2c(C)cc(C)cc12 96426887 RVNSOAXTIAJTJQ-UHFFFAOYSA-N 340.427 2.312 30 40 EEEB N#Cc1cccc(Cl)c1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 71893816 FDMFITCVENYHCK-ZBFHGGJFSA-N 335.835 2.361 30 40 EEEB C=C(Br)CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 95960950 NZLYRIKFEHZOJJ-SNVBAGLBSA-N 333.226 2.268 30 40 EEEB C#CCN1CCN(C(=O)NCc2ccc(COC(C)C)cc2)CC1 89890038 AFJGJZXLZWSZKN-UHFFFAOYSA-N 329.444 2.072 30 40 EEEB CCOc1ccccc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 409370652 BTYUAKRAUBJTJM-DGHGXXSQSA-N 336.391 2.472 30 40 EEEB C[C@H](NCCNS(=O)(=O)c1ccccc1)c1cccc(C#N)c1 96491486 PGPFGMYJCRQNJG-AWEZNQCLSA-N 329.425 2.187 30 40 EEEB N#C[C@@]1(NC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CCSC1 76092644 YQGJITDQNVDKLT-KBPBESRZSA-N 343.374 2.395 30 40 EEEB N#CC1(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)CCCC1 78510822 OSTWGKDYPCPZLL-UHFFFAOYSA-N 334.807 2.092 30 40 EEEB CSc1nc(N/C=C(/C(C)=O)C(=O)C(F)(F)F)nc(C2CC2)n1 100300556 FYYSPTKUBJCAML-YVMONPNESA-N 346.334 2.487 30 40 EEEB CCCC[C@]1(C)C[C@]2(C)C3=C(O1)C(=O)[C@H](C)OC3=C(O)C(=O)[C@@H]2O 230017055 LWSJDCYEVJLGHQ-ARAFLGGMSA-N 336.384 2.317 30 40 EEEB biogenic,in-vitro COc1ccc(N2C(=O)C(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 5089429 CXFQRYFJJYDYMZ-UHFFFAOYSA-N 335.319 2.062 30 40 EEEB N#Cc1cccnc1N1CCN(c2ccc(-c3ccncc3)nn2)CC1 1775973633 LSKJZNRCQVGONC-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB COc1ccc(S(=O)(=O)CC(=O)Nc2sccc2C#N)cc1 10219382 JCIWQQHFQSFGQS-UHFFFAOYSA-N 336.394 2.041 30 40 EEEB Cc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(C#N)c(C)n2)cc1 101162171 YVPJXCJNUFHJGN-INIZCTEOSA-N 332.363 2.209 30 40 EEEB CC(=O)C1=C(C)OC(=O)[C@]1(NC(=O)c1ccccc1)C(F)(F)F 2504114 XWNLRMZXSSOQTO-AWEZNQCLSA-N 327.258 2.137 30 40 EEEB CC(N/N=C1\C(=O)Nc2ccccc21)=C1C(=O)CC(C)(C)CC1=O 101392042 YZOJSGBZBKEZSA-UHFFFAOYSA-N 325.368 2.165 30 40 EEEB CCN(CCC(=O)N(CC#N)CC#N)[C@@H](C)c1cccc(OC)c1 58267198 MJDHXOPDMRUYTB-HNNXBMFYSA-N 328.416 2.344 30 40 EEEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC[C@@H]1CCCO1 29161611 JYKLPHOINAMVGR-RYUDHWBXSA-N 326.356 2.001 30 40 EEEB COc1ccc(CN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5020332 VSPUOXDZZXQXBQ-UHFFFAOYSA-N 334.379 2.284 30 40 EEEB C=CCNC(=O)CN1CCO[C@@H](c2nc(-c3ccccc3)cs2)C1 65466249 XJWLNRIUKJJYBX-MRXNPFEDSA-N 343.452 2.486 30 40 EEEB C=CCOc1c(Br)cc(CNn2cnnc2)cc1OC 7541557 BCZMHSWKTHDCEG-UHFFFAOYSA-N 339.193 2.358 30 40 EEEB Cc1ncc(CO)c(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)c1O 7778950 KABPQFJEOBWCQL-NGYBGAFCSA-N 335.747 2.386 30 40 EEEB CN(C)C1CCN(C(C)(C)CNC(=O)Nc2ccc(C#N)cc2)CC1 69033441 QZYSAUJWTHYLGE-UHFFFAOYSA-N 343.475 2.484 30 40 EEEB Cc1cccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCO2)c1 69283138 YXABARFBHJWLQX-OLZOCXBDSA-N 327.402 2.224 30 40 EEEB CC(C)(C)C(=O)N1CCC(=NOCC(=O)N2CCCCCC2)CC1 71965095 MOTQVKJPZSMGHL-UHFFFAOYSA-N 337.464 2.430 30 40 EEEB CCn1cc(C2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)cn1 97202778 JPPSUCSMQUOZCJ-UHFFFAOYSA-N 343.475 2.425 30 40 EEEB Cc1ncc(C(=O)N2CCO[C@@H](C#N)C2)c(Cl)c1Br 89505457 HIBJWXCMZGORGE-QMMMGPOBSA-N 344.596 2.171 30 40 EEEB C=CCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C 225761379 ATMRNKJOWWLWTR-UHFFFAOYSA-N 346.124 2.424 30 40 EEEB CC/N=C(/NCc1sccc1C)NCC1(N(C)C)CCOCC1 88603698 LODXWKUNQSDTIX-UHFFFAOYSA-N 338.521 2.222 30 40 EEEB CC(C)C/N=C(/NCc1nc(C2CC2)no1)N[C@@H]1CCO[C@H](C)C1 195564464 OZVWQDXWEQUYFR-TZMCWYRMSA-N 335.452 2.206 30 40 EEEB Nc1nnnn1/N=C/c1ccc(-c2cccc(Br)c2)o1 5568520 CIEJEMYMIMSXEQ-VIZOYTHASA-N 333.149 2.160 30 40 EEEB CCCCCCCC(=O)NCC1(N2CCOCC2)CCOCC1 521394783 XUQRMUJGSNHINJ-UHFFFAOYSA-N 326.481 2.345 30 40 EEEB Cc1ncnc(N2CCN(c3ncc(C#N)cc3Cl)CC2)c1C 1775974345 YBYMQPNLMPXCHH-UHFFFAOYSA-N 328.807 2.340 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(N2C(=O)CCC2=O)c1 25115155 KTJQJMVYLKATEZ-UHFFFAOYSA-N 347.374 2.484 30 40 EEEB C=C(C)CN(CC)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 58266206 FOSLCQHXVJUOOP-UHFFFAOYSA-N 326.374 2.037 30 40 EEEB N#Cc1cccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c1 13349420 DJOQGUABPLQACZ-HNNXBMFYSA-N 348.355 2.192 30 40 EEEB C[C@@H](/C=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 5020810 DVYBWIRCAMAWKJ-MUOOZZNISA-N 348.384 2.444 30 40 EEEB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1sccc1C#N 14676300 LBEQOXVFRIQWKW-QMMMGPOBSA-N 336.446 2.481 30 40 EEEB C[C@@H](NC1(CN=C(N(C)C)N(C)C)CCOCC1)c1ccccc1 97012226 JMMTYJGYBHULQS-MRXNPFEDSA-N 332.492 2.366 30 40 EEEB CC(C)n1nccc1NC(=O)[C@H](C#N)c1nnc2n1CCCCC2 95455102 HFXOHPPEBMFWCV-GFCCVEGCSA-N 327.392 2.028 30 40 EEEB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 84325760 KCOLHPQWTRQIHI-AWEZNQCLSA-N 345.447 2.447 30 40 EEEB CCOC(=O)COc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1 408928881 FQNBATQDODLFQW-YDNXFKBOSA-N 334.397 2.160 30 40 EEEB Cc1noc(COCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1 72499164 PUWMSKHKKZANME-UHFFFAOYSA-N 340.261 2.424 30 40 EEEB COC[C@@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218189962 WPIZZNCIYSQCIX-AGIUHOORSA-N 344.230 2.116 30 40 EEEB O=S(=O)(Cc1ccon1)/N=C(\O)c1cc2c(s1)CCCC2 96446471 DZKXEGXUNZZPNP-UHFFFAOYSA-N 326.399 2.450 30 40 EEEB C=CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1nc2c(s1)CCCC2 43269098 KECXAWQYJQVFKD-UHFFFAOYSA-N 347.400 2.346 30 40 EEEB C=CCOc1ccc(/C=N/N2C(=O)N[C@](C)(CC)C2=O)cc1OC 3579502 LWFCUAFRIGJSHJ-AUUUKSDWSA-N 331.372 2.314 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 40135201 HCDBDJQHNMPKTC-SFHVURJKSA-N 345.874 2.476 30 40 EEEB C[C@H]1NC(C(=O)Nc2ccc(CC#N)cc2)=NN(c2ccccc2)C1=O 31545738 LSWPBSQENWFMDE-CYBMUJFWSA-N 347.378 2.030 30 40 EEEB CCn1c(=O)n(C[C@H](O)COc2ccc(C#N)cc2)c2ccccc21 32885767 YBTNZIQFAMITRD-HNNXBMFYSA-N 337.379 2.134 30 40 EEEB C#CC[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 519234 PLKWEVUMSNPOQP-PPAWOBCPSA-N 328.432 2.079 30 40 EEEB CN1CCN(CCCNCc2cn(CCC#N)c3ccccc23)CC1 22812418 HJMMAOAWBXDTMA-UHFFFAOYSA-N 339.487 2.282 30 40 EEEB N#Cc1ccccc1N1CCCN(C(=O)NCCc2cccnc2)CC1 44967862 LKTLAVDVRXGAEQ-UHFFFAOYSA-N 349.438 2.418 30 40 EEEB N#Cc1ncn(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 13005436 RPWCLJNMVYRLOQ-UHFFFAOYSA-N 341.758 2.380 30 40 EEEB N#Cc1ccsc1N1CC[C@@H](Nc2ccc3oc(=O)[nH]c3c2)C1=O 83030281 HXIPQUGMYIZBKQ-LLVKDONJSA-N 340.364 2.272 30 40 EEEB CCCc1nc(CN2CC[C@H](CNc3ccc(C#N)cn3)C2)no1 65512172 PJHITGZJUGQDPR-CQSZACIVSA-N 326.404 2.223 30 40 EEEB N#CCc1ccc(OCC(=O)N2CCCC[C@H]2Cn2cccn2)cc1 71865348 HPMYDGZFTUVNHS-KRWDZBQOSA-N 338.411 2.409 30 40 EEEB C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 71914227 YIGWYYNRNRZFDX-NVXWUHKLSA-N 330.428 2.133 30 40 EEEB 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N#Cc1c(NC(=O)Cn2cnc([N+](=O)[O-])c2)sc2c1CCCC2 13233711 SKVVTJFLDTUUCZ-UHFFFAOYSA-N 331.357 2.242 30 40 EEEB CCc1ccccc1NC(=O)Cn1nc(CC)c(CC)c(C#N)c1=O 65567416 MFDCMXPMGIPWEP-UHFFFAOYSA-N 338.411 2.441 30 40 EEEB CCc1ccc(-c2nnn(CC(=O)Nc3sccc3C#N)n2)cc1 14140957 IOOIPHIOIPSHTG-UHFFFAOYSA-N 338.396 2.474 30 40 EEEB CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 69620911 CEHHHEGNPYEBAY-UHFFFAOYSA-N 339.326 2.155 30 40 EEEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1 408724240 ISQAPWPYMXNMQV-SDUAAAJKSA-N 331.353 2.187 30 40 EEEB CN1CCN(CN2C(=O)/C(=N/c3ccccc3)c3ccccc32)CC1 408718076 HLSMNYRLPNOMAU-XUTLUUPISA-N 334.423 2.359 30 40 EEEB Cc1cc(C(F)(F)F)nc(N2CCN(c3ccc(C#N)cn3)CC2)n1 612440024 FQYWPUKCGKMMJY-UHFFFAOYSA-N 348.332 2.397 30 40 EEEB C=CCCCS(=O)(=O)Nc1ccc([S@@](=O)(=NC)N(C)C)cc1 1615612825 BQZVAHFQNNNBGS-JOCHJYFZSA-N 345.490 2.328 30 40 EEEB C[C@@H]1[C@@H](NC(=O)COCC(=O)Nc2ccc(C#N)cc2)CCC[C@H]1C 103200707 RLYPQFNJRZEZOM-KEYYUXOJSA-N 343.427 2.454 30 40 EEEB COc1cc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc(OC)c1OC 147757 RTEYEXBNNSLYFY-HNNXBMFYSA-N 344.371 2.182 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C1=O 2304925 KBAMZXYDOOJVHU-NTCAYCPXSA-N 342.399 2.093 30 40 EEEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CC 100918840 MDFPOSVOUYLSKV-CMTMBAJVSA-N 335.429 2.364 30 40 EEEB CC(=O)Nc1ccc(N2CC(=O)C(c3nc(C)cs3)=C2N)cc1 13723585 CHUWGQTZEOWVHG-UHFFFAOYSA-N 328.397 2.127 30 40 EEEB CCCOc1ccc(/C(C)=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1 4833753 KMVAFZSUNQYANV-VQIMKDEXSA-N 349.412 2.262 30 40 EEEB Cn1c(CCC(=O)OCc2ccc(C#N)cc2)nc2ccccc2c1=O 7268792 IFJXFGARGALWAJ-UHFFFAOYSA-N 347.374 2.481 30 40 EEEB CCO[C@H]1C[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(C)C 71915431 FYEOLGUVCCCWBF-HOTGVXAUSA-N 345.443 2.116 30 40 EEEB Cc1cc(O)cc(=O)n1CC(=O)[C@H](C#N)c1nc(C(C)C)cs1 84083479 RDIZEWVIRAALDG-LBPRGKRZSA-N 331.397 2.319 30 40 EEEB COc1ccc(CC(=O)NC2(C#N)CCOCC2)cc1OC(F)F 528585347 WFUHNOSKHQCZRU-UHFFFAOYSA-N 340.326 2.028 30 40 EEEB COC(=O)CN(CC#N)Cc1ccc(Br)c2cccnc12 96497174 DEUNSGRPFQIGAR-UHFFFAOYSA-N 348.200 2.496 30 40 EEEB N#Cc1cccc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1 1775976025 TXDWGYNYFGOGIU-UHFFFAOYSA-N 327.409 2.396 30 40 EEEB C=CCn1c(N)nnc1S[C@H](C(=O)NC(C)C)c1ccccc1 31655903 VUMLIOFHFFYAFP-ZDUSSCGKSA-N 331.445 2.404 30 40 EEEB C#CCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@@H]1c1ccc(OC)cc1 22690915 BXIXIPHUWOSQQK-SJLPKXTDSA-N 328.412 2.134 30 40 EEEB N#CCN1CCN(C(=O)CCc2ccc(Br)cc2)CC1 79013247 ISQNCOKZBGMRPU-UHFFFAOYSA-N 336.233 2.049 30 40 EEEB Cc1nnc(N2CCC(NC(=O)c3cccs3)CC2)c(C#N)c1C 57149633 YVHNUINGDVBYNX-UHFFFAOYSA-N 341.440 2.425 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCc1ccccn1 29162051 OPUXTDOTGPACFN-CYBMUJFWSA-N 333.351 2.417 30 40 EEEB CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)COC2CCCC2)cc1 48420212 VMUAXECTCNFVOE-UHFFFAOYSA-N 340.401 2.249 30 40 EEEB COc1ccccc1[C@H](C#N)NC(=O)Cn1cc(-c2ccccc2)nn1 89473452 DONKMDYIYDYNNA-INIZCTEOSA-N 347.378 2.335 30 40 EEEB C=CC/N=C(/NCC(=O)NC(C)(C)C)NCc1csc(C2CC2)n1 89643076 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326.425 2.296 30 40 EEEB N#C[C@@H](C(=O)c1cscn1)c1nc(N)nc(Nc2ccccc2)n1 72270924 GAQSTOHIMWDXQX-JTQLQIEISA-N 337.368 2.144 30 40 EEEB C[C@H]1C[C@H](OC[C@H](S)CN2CCN(CCO)CC2)CC(C)(C)C1 22446534 PURXJYWXKBULRX-YESZJQIVSA-N 344.565 2.126 30 40 EEEB C=CCN(C(=O)c1ccnn1C)c1nc(C)c(C(=O)OCC)s1 36613076 NRPMOEVBQLFLOK-UHFFFAOYSA-N 334.401 2.195 30 40 EEEB N#Cc1cccnc1NCCOC(=O)[C@H]1CSc2ccccc2O1 65622996 LAPPMGIULLYFRD-CQSZACIVSA-N 341.392 2.462 30 40 EEEB C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCCCC3=O)cc2C1=O 4789681 KPMMBNKVPNZGDX-HNNXBMFYSA-N 327.336 2.137 30 40 EEEB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@H](C#N)CCC#N)C1=O 7206682 ORPDUOITNSXZQR-ORAYPTAESA-N 336.395 2.386 30 40 EEEB CCCCc1noc(CN2CCN(c3ccc(C#N)cn3)CC2)n1 71821774 CBFVXVSYYFAITC-UHFFFAOYSA-N 326.404 2.001 30 40 EEEB C=CCN1CCN(C(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)CC1 67284598 ZDONKYPQDBOJNR-UHFFFAOYSA-N 340.431 2.109 30 40 EEEB C[C@@](O)(CNc1ccc(C(F)(F)F)c(C#N)c1)CN1CCOCC1 95944325 USEYYFYEAHQITI-OAHLLOKOSA-N 343.349 2.072 30 40 EEEB C=C(Br)CN/C(=N/Cc1cccs1)NCCOC 75583052 XKBXSZNGVUHPMV-UHFFFAOYSA-N 332.267 2.338 30 40 EEEB C[C@@H]1CN(C(=O)C(C)(C)c2cccc(C#N)c2)C[C@H]1N1CCOCC1 76052920 YXLNFHYGNKACPW-CRAIPNDOSA-N 341.455 2.015 30 40 EEEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCCCC 217438873 AFBVEFMXABSKSH-UHFFFAOYSA-N 326.418 2.451 30 40 EEEB CCOc1cc(C/N=C(/N)Nc2cc(OC)ccc2OC)ccn1 69844861 JIOIPKBSKGGWBD-UHFFFAOYSA-N 330.388 2.424 30 40 EEEB CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)o1 19594472 NINXSHOTVGYYPD-IYKHNKEISA-N 327.384 2.267 30 40 EEEB N#Cc1ccc(NCc2ccc(S(=O)(=O)NC3CC3)cc2)nc1 52340501 YOJCSJYNLNIWEX-UHFFFAOYSA-N 328.397 2.006 30 40 EEEB O=C1C(=O)N(CCO)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102798455 SNHOOTVRFDRRMX-IBOXJLQUSA-N 341.338 2.240 30 40 EEEB Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C#N)c1C 47461152 ODRRNSHDBVTUCC-UHFFFAOYSA-N 349.398 2.029 30 40 EEEB CC/N=C(\NCc1cccc(OC)n1)NCc1sc(C)nc1C 95965074 PBGVLWJMDRJMDX-UHFFFAOYSA-N 333.461 2.419 30 40 EEEB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1 58223670 QLDGTXRWSWHIMZ-SFHVURJKSA-N 343.475 2.438 30 40 EEEB C[C@@H](/N=C(\S)NCCCN1CCOCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101527785 RCRSUUKSJLBIGR-FPCVCCKLSA-N 325.522 2.409 30 40 EEEB C=CCn1c(SCC2(OCCCOC)CCCC2)n[nH]c1=O 96010440 UNJAQUJWNVQTMJ-UHFFFAOYSA-N 327.450 2.215 30 40 EEEB Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 7548047 XFGABSFSYUIGCR-VIFPVBQESA-N 330.369 2.089 30 40 EEEB CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(F)c(C#N)c2)CC1 71911844 COLMNROPZCOXKC-AWEZNQCLSA-N 347.438 2.092 30 40 EEEB Cc1nc(CN2CCN(CCOc3ccc(C#N)cc3)CC2)oc1C 69875093 JZYQATGTNBUVKY-UHFFFAOYSA-N 340.427 2.360 30 40 EEEB CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H](C#N)c2ccccc2F)nn1 73336861 CPXCUGIGAIEPNB-CYBMUJFWSA-N 343.362 2.027 30 40 EEEB C=C(Br)CNC(=O)N1CCOC[C@H]1c1nc(C)cs1 190096980 OYTNMPVPIDKZIT-JTQLQIEISA-N 346.250 2.443 30 40 EEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 225481143 VXHOKSCJLPGWJQ-FDMDGMSGSA-N 334.379 2.431 30 40 EEEB Cc1ccc(Br)cc1C(=O)OCCn1ncc(C#N)c1N 95404949 XAZBWFCXHVMFDE-UHFFFAOYSA-N 349.188 2.265 30 40 EEEB N#Cc1ccnc(OCC2CCN(C(=O)c3cscn3)CC2)c1 1775996188 ZMVZKLQZTZVCHG-UHFFFAOYSA-N 328.397 2.341 30 40 EEEB O=C1C[C@@H](C(=O)Nc2ccccc2)SC(N/N=C\c2ccco2)=N1 5774587 PVQSWVJASJUFDE-NWRYFCBHSA-N 342.380 2.230 30 40 EEEB C=CCNC(=O)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889149129 YEFMLFVGXMHOEL-UHFFFAOYSA-N 339.399 2.277 30 40 EEEB CCOC(=O)c1sc(N)c(C#N)c1CSc1nc(C)cc(N)n1 22090124 GIIVKNOVHCMSQS-UHFFFAOYSA-N 349.441 2.352 30 40 EEEB O/C(CN1CCN(c2ncccc2C(F)(F)F)CC1)=N\C1CC1 47509673 RSZPKPHCGAEMBR-UHFFFAOYSA-N 328.338 2.341 30 40 EEEB CN(CC(=O)Nc1cc(-c2cccs2)n[nH]1)c1ccc(C#N)cn1 79023020 ABYDJFNWSZGPHI-UHFFFAOYSA-N 338.396 2.480 30 40 EEEB C=CCN(C(C)=O)[C@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O 1791403 LCIDFOCHIOZUNP-INIZCTEOSA-N 330.384 2.142 30 40 EEEB Cn1nc([N+](=O)[O-])c([C@H](C#N)c2nc3ccccc3o2)c(Cl)c1=O 3224711 GVYHCGIAIFISIE-ZETCQYMHSA-N 345.702 2.139 30 40 EEEB CN1C(=O)C[C@H](C(=O)O)S/C1=N\c1ccc(Br)cc1 4600443 FGBILWHAVYNQPG-USPJWIJHSA-N 343.202 2.485 30 40 EEEB CC(=O)N1C[C@H](C(=O)Nc2sccc2C#N)Oc2ccccc21 7989751 TYWYDGXQQOTOIW-CQSZACIVSA-N 327.365 2.372 30 40 EEEB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(F)cc1C#N 95995702 UMHMQPMZTLHCFR-UHFFFAOYSA-N 336.392 2.356 30 40 EEEB CC1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 78979614 OAALPYNANUUZTE-UHFFFAOYSA-N 326.400 2.012 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3C#N)C2=O)cc1 408526893 HQYRSJAENYLGRV-OAHLLOKOSA-N 346.346 2.468 30 40 EEEB CC1=C(C)/C(=N\OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C=CC1=O 33803860 DFVPKLOAEGYEOQ-SSZFMOIBSA-N 345.267 2.491 30 40 EEEB Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)Cc1cccc(C#N)c1 530679975 IAJDFIHPTHPGRT-UHFFFAOYSA-N 349.394 2.021 30 40 EEEB N#Cc1cccnc1N1C[C@H]2CN(c3nnc(C4CC4)s3)C[C@@H]2C1 2086954115 ZBNDEDUWOACMTG-KBPBESRZSA-N 338.440 2.255 30 40 EEEB C=CCOc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 12698445 RRTMTEPHIBBOFC-CYBMUJFWSA-N 342.447 2.278 30 40 EEEB COc1ccc(NC(C)=O)cc1NCC(=O)NC1(C#N)CCCC1 11620363 BJVGBEKLPKWVLK-UHFFFAOYSA-N 330.388 2.018 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2cc(C)ccc2F)c(=O)c1C#N 408599791 KUSCAMLHHARWAI-UHFFFAOYSA-N 343.358 2.261 30 40 EEEB Cc1ccc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 18161866 LLZLYKBAKLVIMP-UHFFFAOYSA-N 329.312 2.146 30 40 EEEB COC(=O)[C@H](CC=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 34553550 QFEVCOWXQPPBLI-JTQLQIEISA-N 331.365 2.289 30 40 EEEB CC(C)N(C)C(=O)CC1CCN(C(=O)c2cc(C#N)cn2C)CC1 81758522 OQVFGYOECMWBNZ-UHFFFAOYSA-N 330.432 2.006 30 40 EEEB N#CC(C#N)[C@H](c1ccccc1Cl)[C@H](C(N)=O)[n+]1ccccc1 5866039 DNAUHMJCMAGPSD-HZPDHXFCSA-O 325.779 2.101 30 40 EEEB O=S1(=O)C[C@@H](/N=C/c2ccccc2)[C@H](/N=C/c2ccccc2)C1 5899337 BHNGETIZDQQTPY-VFGJRFIDSA-N 326.421 2.390 30 40 EEEB CN(/N=C/c1cc(Cl)ccc1O)C1=NS(=O)(=O)c2ccccc21 117451 OIIYRSIUJNWFSI-RQZCQDPDSA-N 349.799 2.460 30 40 EEEB Nc1nc(-c2ccccc2)cn1/N=C/c1ccccc1OCC(=O)O 32891461 NKNZEWNRUJBSIH-KEBDBYFISA-N 336.351 2.478 30 40 EEEB C#CCN1CCC(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 48286953 HKJNLDFDQGWGQY-UHFFFAOYSA-N 341.455 2.452 30 40 EEEB CC[C@]1(C)NC(=O)N(/N=C/c2cc(Br)ccc2O)C1=O 3528116 JJRIKYFQELWHNO-FEZXJWFHSA-N 340.177 2.209 30 40 EEEB COc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1OC 16726900 BSYOSZFLOIRECN-UHFFFAOYSA-N 346.408 2.195 30 40 EEEB CCOc1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1O 18106232 XHTITEXGXBUVDF-XSFVSMFZSA-N 326.400 2.342 30 40 EEEB N#Cc1ccc(OCCN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1 8752437 RVDSBEPBGDXILJ-QGZVFWFLSA-N 335.363 2.100 30 40 EEEB CS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1 9838170 VYJLYQLGFQYLOR-UHFFFAOYSA-N 345.376 2.198 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 89794072 HPWANMSJRNMILG-INIZCTEOSA-N 340.358 2.455 30 40 EEEB Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccc(C#N)cc1)C2 225493678 IQPCJZUXYZQDIR-IBGZPJMESA-N 336.439 2.465 30 40 EEEB biogenic,in-vitro N#Cc1cccc(CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 21624730 ZVASGMTXMXZEPR-CYBMUJFWSA-N 349.437 2.211 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1C#N 810866 FFBQFVYSORFUEI-UHFFFAOYSA-N 345.786 2.467 30 40 EEEB C=C(C)CN(CC)C[C@H](O)COc1ccc(C(=O)OC)cc1OC 6583824 OFQPPFRXBUVCOE-HNNXBMFYSA-N 337.416 2.120 30 40 EEEB C=CCCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)C2 108527672 YGPMQWZAGDBJCE-UHFFFAOYSA-N 327.428 2.389 30 40 EEEB CSc1nnc(C)c(=O)n1/N=C/c1c(O)ccc2ccccc12 27525750 JOOSCNCIFCQEJG-RQZCQDPDSA-N 326.381 2.410 30 40 EEEB N#Cc1ccc(S(=O)(=O)N(CCCCO)C2CC2)c(Cl)c1 96001979 KOCIVBGCDCNNJH-UHFFFAOYSA-N 328.821 2.137 30 40 EEEB COc1ccc(OC)c([C@H](O)CNc2nnc(C)c(C)c2C#N)c1 65407630 CRWNJXJTZNQFGJ-OAHLLOKOSA-N 328.372 2.128 30 40 EEEB C/C(CCS(=O)(=O)c1ccc2ccccc2c1)=N\NC(N)=S 15938084 HFUDVNIWONUBGH-GZTJUZNOSA-N 335.454 2.213 30 40 EEEB C#CCOc1ccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 81627230 RVWKBYVZBHDALV-AWEZNQCLSA-N 328.290 2.230 30 40 EEEB Cc1cc(C)n(C[C@H]2CN(Cc3cc(C#N)ccc3F)CCO2)n1 69463009 FHLMLLYFOCCBQB-QGZVFWFLSA-N 328.391 2.412 30 40 EEEB N#CCCN(Cc1ccco1)C(=O)c1ccc(Cn2cncn2)cc1 69419677 KQEHOTFCLCZZMS-UHFFFAOYSA-N 335.367 2.475 30 40 EEEB C#CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC3CC3)C2)cc1 83812710 BZQSJWSXBOJHQM-NVXWUHKLSA-N 340.423 2.266 30 40 EEEB C#CCN1CCC(C(=O)NC(C)(C)Cc2ccccc2OC)CC1 69808848 CVINVFQPLPAZQP-UHFFFAOYSA-N 328.456 2.478 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)CCCn2cccn2)c(F)c1 75040177 ZKVUZBYQXYIFAU-UHFFFAOYSA-N 325.365 2.456 30 40 EEEB CC(=O)N[C@@H]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 188910015 UIXKJHMYIVMVES-OAHLLOKOSA-N 338.329 2.184 30 40 EEEB CC(=O)C1=C(O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 136233462 OACSUKAIVHQATB-IKGGRYGDSA-N 333.340 2.439 30 40 EEEB CCN=C1S[C@H](CC(=O)Nc2cccc(OC)c2)C(=O)N1CC 2032946147 IAJLMWPTQPYUOT-CYBMUJFWSA-N 335.429 2.364 30 40 EEEB CC(=O)C1=C(O)[C@@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c(O)c12 135466 ICTZCAHDGHPRQR-SFHVURJKSA-N 344.319 2.127 30 40 EEEB biogenic Cc1nc(C(=O)[C@H](C#N)C(=O)NC(C)C)nn1-c1ccccc1Cl 103707959 ZJKSXUYDBWGSRN-NSHDSACASA-N 345.790 2.076 30 40 EEEB CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C#N)[nH]n1 22830362 BVDYDIOLPRAMHS-SECBINFHSA-N 332.385 2.479 30 40 EEEB C=CCOc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)c1OC 27018017 CLOYBJLALUYVJM-CQSZACIVSA-N 348.424 2.226 30 40 EEEB CCN(CC)S(=O)(=O)c1cccc(N/N=C2/C=NC(=N)S2)c1 103445062 NZLSELZXLKSPQY-MZTWCINRSA-N 339.446 2.195 30 40 EEEB COCCCN/C(=N/Cc1cccs1)NC[C@@H](C)N1CCCC1 72271908 WAFJFNOPXQKMNS-OAHLLOKOSA-N 338.521 2.304 30 40 EEEB CCc1nn2c(=N)c(C#N)n[nH]c2c1-c1ccc(Br)cc1 102004553 JMSKWXBGNJJTCS-UHFFFAOYSA-N 343.188 2.400 30 40 EEEB NC(=O)C1(N2CCCCC2)CCN(/C(S)=N/c2ccccc2)CC1 4574634 NPDXCFQPPNEZMB-UHFFFAOYSA-N 346.500 2.410 30 40 EEEB Cc1nc(C)n(C[C@H]2CCCN2CCOc2cccc(C#N)c2)n1 69617167 KNNAPYIOXGHCCB-QGZVFWFLSA-N 325.416 2.310 30 40 EEEB N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 8745996 FTXNEQUSOJAWEN-INIZCTEOSA-N 347.378 2.343 30 40 EEEB CC(C)n1cnnc1C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 97047847 BPPNVLMTZPARON-UHFFFAOYSA-N 341.375 2.418 30 40 EEEB N#Cc1ccsc1N1CC[C@@H](n2nc(-c3ccco3)oc2=O)C1=O 95990779 RXGGKXPHEYWVSP-SNVBAGLBSA-N 342.336 2.007 30 40 EEEB Cc1cc2c(NC(=O)[C@]3(c4ccccc4)CCNC3)n[nH]c2cc1C#N 593916737 QJYJGSYXLFDWIT-HXUWFJFHSA-N 345.406 2.613 30 40 EEEB CC#CCCNC(=O)CN1CSC(=S)N(Cc2ccccc2)C1 1615587132 UEHYDRUQLIKXTI-UHFFFAOYSA-N 347.509 2.267 30 40 EEEB CC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1 20190126 ZFTSTAQQDQVYJZ-UHFFFAOYSA-N 326.444 2.309 30 40 EEEB C#CCOc1ccccc1CNCc1ccnc(N2CCOCC2)c1 30900408 KXQJTOUWVWRZRA-UHFFFAOYSA-N 337.423 2.220 30 40 EEEB N#CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 78098374 HPHANTPCJNYHBU-IBGZPJMESA-N 335.407 2.444 30 40 EEEB CCOC(=O)C1=C(NC(C)=O)S[C@H]2C(Cl)=C(/C=N\O)CC[C@H]12 102525135 IZWZFDZCMRHNNA-FWTFKKCLSA-N 344.820 2.376 30 40 EEEB N#Cc1cccc(OCCSc2nnc(N3CCOCC3)s2)c1 58161445 ORWVDVILQGKTFP-UHFFFAOYSA-N 348.453 2.417 30 40 EEEB Cc1ccc(Cl)cc1N1CC[C@H](C/N=C(/N)N2CCOCC2)C1 97001365 ILSGIMBFJCPEEB-CQSZACIVSA-N 336.867 2.122 30 40 EEEB N#Cc1ccc(OC2CN(C(=O)NCc3cn4ccccc4n3)C2)cc1 97378079 OGWOZEMOCLSEEW-UHFFFAOYSA-N 347.378 2.179 30 40 EEEB C=CCNC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 95929293 YSLLMIGIPFSWNW-GOSISDBHSA-N 348.406 2.312 30 40 EEEB CCN(CC)[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H]2CCCO[C@H]12 96185783 ZPSYDGPWHCTPNE-KURKYZTESA-N 327.428 2.272 30 40 EEEB CC(C)(C)OC(=O)Nc1cc(C#N)ccc1NC(=O)[C@@H]1COCCO1 585127907 MBSIXBKKRNIXHX-AWEZNQCLSA-N 347.371 2.259 30 40 EEEB C#CCN(CC#CC)C(=O)CSc1nnc(-c2cccs2)n1C 75147821 LRTBGZFAAJTBRK-UHFFFAOYSA-N 344.465 2.121 30 40 EEEB CCc1ncnc(N2C[C@@H]3CN(c4ccc(C#N)nc4)C[C@@H]3C2)c1F 1888856535 PRFDRKFDELGICE-BETUJISGSA-N 338.390 2.017 30 40 EEEB COCCN(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 6558826 WWGXZVFECWRKDM-UHFFFAOYSA-N 330.409 2.396 30 40 EEEB C/N=C(/NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)NC1CC1 103337854 QJOCHVKOUVMVJC-GASCZTMLSA-N 330.476 2.123 30 40 EEEB CCC/C=N/Nc1nnc(Cc2ccc(OC)c(OC)c2)c(O)n1 8995707 DGGGZZNYEXULJS-CAOOACKPSA-N 331.376 2.383 30 40 EEEB c1cc2c(cc1CN/C(=N/C[C@@H]1CCCO1)NC1CC1)OCCCO2 72746379 XGFDCZRBZBFPTB-INIZCTEOSA-N 345.443 2.225 30 40 EEEB COc1ccc(-c2nnc(SCC(=O)N(C)CCC#N)o2)cc1 4470210 ANFZOKQWBSWLRO-UHFFFAOYSA-N 332.385 2.209 30 40 EEEB COCCCn1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3260984 PLPNVCAEYIAABR-UHFFFAOYSA-N 346.770 2.346 30 40 EEEB N#Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 3249213 MIWFNQQLPLBNCZ-UHFFFAOYSA-N 338.319 2.125 30 40 EEEB CCOC(=O)N[C@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 58244556 BPCKHDMMAIBZLE-SCOAYWHSSA-N 327.384 2.309 30 40 EEEB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@@H](C)CC#N)C2)cc1 58330645 QKIYWYYYJFGERC-HOTGVXAUSA-N 335.473 2.288 30 40 EEEB C=CCNC(=O)CCCc1nc(-c2ccc(OC)c(OC)c2)no1 2226891 LDQPDVRAQCEDAR-UHFFFAOYSA-N 331.372 2.379 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)Nc1ncn(-c2ccccc2)n1 96501015 MHSRSWMSPLZHIL-UHFFFAOYSA-N 339.380 2.248 30 40 EEEB C[C@@H](N1CCN(C(=O)NCc2cccc(C#N)c2)CC1)C(F)(F)F 89598444 NOIUASYZFVPUPJ-GFCCVEGCSA-N 340.349 2.336 30 40 EEEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 408961164 AZTBQTDDZBOCLN-AAIQCTMTSA-N 332.381 2.162 30 40 EEEB CCCN(C)S(=O)(=O)/N=C(\O)c1ccc(Br)s1 96482953 YZOAEVCQGRNECR-UHFFFAOYSA-N 341.252 2.402 30 40 EEEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)CO 31539914 DCMCEXCRUWBAFV-SLLBYLKQSA-N 348.483 2.459 30 40 EEEB biogenic C=CCOc1ccccc1C(=O)N1CCCN(c2cccnn2)CC1 69947740 LWRZDSZDRJXHAE-UHFFFAOYSA-N 338.411 2.394 30 40 EEEB C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(CC[C@@H]1O)[C@H]2[C@@H]3C(=O)O 252515387 JKQCGVABHHQYKQ-AOXXEYRQSA-N 332.396 2.136 30 40 EEEB endogenous,in-man C=CCOc1ccc(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COC)C2)cc1 1614938286 YMNLZUBCJHZOGG-FXAWDEMLSA-N 344.455 2.292 30 40 EEEB N#Cc1cccnc1N1CCN(c2nccc(-c3ccccn3)n2)CC1 2086992640 SIRLLZVPFAYAFS-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB Cn1nc(C(F)(F)F)c(C#N)c1S(=O)(=O)Cc1ccccc1 3052729 WTZUQRNFLXZBQB-UHFFFAOYSA-N 329.303 2.284 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1nnc2ccccn12 12622321 DNEAGGTXPIIVRP-UHFFFAOYSA-N 346.350 2.223 30 40 EEEB CCCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C)cc1OC 3947302 WCIGRTHIODCFTJ-LICLKQGHSA-N 331.376 2.107 30 40 EEEB COc1cc(C(=O)O)ccc1OCC(=O)NC1(C#N)CCCCC1 13420039 WHCMWPPUSLRGGE-UHFFFAOYSA-N 332.356 2.115 30 40 EEEB CCOC(=O)c1c(NC(C)=O)sc2c1CCC/C2=N/OC(C)=O 13941934 WENWTCKQEKYVPF-BOPFTXTBSA-N 338.385 2.487 30 40 EEEB N#CCOc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccc(F)cc21 5451926 BWJNSTKRHZTBEY-GOSISDBHSA-N 340.310 2.141 30 40 EEEB C=CCNc1nnc(SCC(=O)Nc2c(C)nn(C)c2C)s1 7504379 FCRWBGREIOXPJB-UHFFFAOYSA-N 338.462 2.217 30 40 EEEB N/C(=N\OCc1ccccc1)c1cccc(CN2CCOCC2)c1 60197406 GGHRCBLXHNGSDT-UHFFFAOYSA-N 325.412 2.356 30 40 EEEB Cc1c(N2CCN(Cc3ccccn3)CC2)cc(C#N)cc1[N+](=O)[O-] 96453283 KVNKSNZSERLVNN-UHFFFAOYSA-N 337.383 2.492 30 40 EEEB C/N=C(/NCc1nncn1C)N[C@@H](C)c1ccc(OCC(C)C)cc1 97229979 YEYLOQTXRTYWMS-AWEZNQCLSA-N 344.463 2.276 30 40 EEEB CC/N=C(/NCc1cc(C)on1)N(C)Cc1cn(C)nc1C(C)C 97229965 OMKXTDQJNDGXFU-UHFFFAOYSA-N 332.452 2.437 30 40 EEEB CN1C(=O)NC2(CCN(Cc3ccccc3C(C)(C)C#N)CC2)C1=O 90005604 XDOZTVMTXAMDGQ-UHFFFAOYSA-N 340.427 2.004 30 40 EEEB CCOc1ccc(/C(O)=N/S(=O)(=O)C[C@H]2CCCCO2)cc1 71892461 HHAYIVNTQGSXCL-CQSZACIVSA-N 327.402 2.289 30 40 EEEB N/C(C/C(=N\OC(=O)c1ccccc1)OC(=O)c1ccccc1)=N/O 17109828 YDYJOWFZQHUTPM-HMMYKYKNSA-N 341.323 2.150 30 40 EEEB Cc1ccnc(N2C[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)n1 1888842770 VMFRWULQSPEQAV-OKILXGFUSA-N 340.818 2.278 30 40 EEEB O=c1[nH]c2ccccc2cc1C/C(O)=N/c1nc(C(F)(F)F)n[nH]1 47078148 WCUJSXNBQNEVOT-UHFFFAOYSA-N 337.261 2.496 30 40 EEEB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cc(N(C)C)ccc1C#N 79072966 LKEZCMLIXABIEA-NWDGAFQWSA-N 331.420 2.049 30 40 EEEB CCCCCCCCCS(=O)(=O)O[C@H]1CCS(=O)(=O)C1 100747768 DPRGZZJRARGOTR-ZDUSSCGKSA-N 326.480 2.271 30 40 EEEB C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2C1=O 12797454 QPHDEFGIZXDKIM-UHFFFAOYSA-N 338.367 2.071 30 40 EEEB Cc1cc(C(F)(F)F)nn1C/C(N)=N/OC(=O)c1ccccc1 36612126 XDOQVRXIJNYJKF-UHFFFAOYSA-N 326.278 2.340 30 40 EEEB C=CCN(CC=C)C(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 65528706 HKPFXESRXDNLEW-CQSZACIVSA-N 327.384 2.044 30 40 EEEB CCn1ncc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1C 5489536 XUXCBZSUJGNRQG-INIZCTEOSA-N 329.400 2.352 30 40 EEEB N#C[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1 69580922 ONIGUAOCSWYFEE-ZFWWWQNUSA-N 331.803 2.279 30 40 EEEB N#Cc1cccc(CS(=O)(=O)NCCc2cccc(F)c2F)c1 71900687 GUDHDGYCBPGHBM-UHFFFAOYSA-N 336.363 2.499 30 40 EEEB C[C@H](/N=C(/O)c1csc(-c2cnn(C)c2)n1)C1=CCN(C)CC1 329523187 RMIMXQJXPKGMKK-NSHDSACASA-N 331.445 2.499 30 40 EEEB N#Cc1cccc(/C=C/C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1 96412697 HMJUBTDLIOVOEW-WRFKIARRSA-N 339.439 2.189 30 40 EEEB C=CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1 96189016 OJKBNTSRWRGCJM-INIZCTEOSA-N 341.411 2.446 30 40 EEEB C=CC(=O)N(C)CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 1628364278 MERWIYMPEOAVDW-LLVKDONJSA-N 326.183 2.319 30 40 EEEB Cc1cc(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)no1 1775995790 IUWAISDZJQGUPU-CQSZACIVSA-N 326.356 2.181 30 40 EEEB C[C@@H]1c2ccccc2OCCN1Cc1cc(O)n2ncc(C#N)c2n1 1559623382 UBWDVGVARXKRDR-GFCCVEGCSA-N 335.367 2.262 30 40 EEEB C=CCOc1ccc(/C=C2/NC(=S)NC2=O)cc1Br 12343912 AIOJGWYFBBOWAW-JXMROGBWSA-N 339.214 2.359 30 40 EEEB N#CCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 16735860 IHJKZTCETCCZET-NSHDSACASA-N 347.440 2.388 30 40 EEEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)C31CC1 64269 MDGVFZYSSMDXTB-WPTVKGRQSA-N 337.335 2.126 30 40 EEEB Cc1cc(C)c(C#N)c(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298183888 RVZSWCVELLUQFM-UHFFFAOYSA-N 344.484 2.362 30 40 EEEB C#CCn1/c(=N\C(=O)c2ccnn2CC)sc2cccc(F)c21 101064523 DFYOXBAHXVITBQ-KNTRCKAVSA-N 328.372 2.433 30 40 EEEB COCCCNC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CCCCC2 103502811 PFFUQIFOIJUQEZ-ZDUSSCGKSA-N 334.441 2.492 30 40 EEEB Cc1nn(CN2CCCc3cc(F)c(F)cc32)c(=O)c(C#N)c1C 57087019 CYQZKOZMHJQUQJ-UHFFFAOYSA-N 330.338 2.420 30 40 EEEB O=C(COc1ccccc1Br)NCC#Cc1ccccn1 95450232 MAYBJHIOVYFSNN-UHFFFAOYSA-N 345.196 2.391 30 40 EEEB O=C(C[N+]12CCN(CC1)CC2)Nc1cc(C(F)(F)F)ccc1Cl 13131984 DLTKMMVYODGPQJ-UHFFFAOYSA-O 348.776 2.443 30 40 EEEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OC 5586372 XEHCNNSJVLENKL-CAOOACKPSA-N 332.316 2.462 30 40 EEEB N#C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)CCN1Cc1ccccc1 74673124 ABZOTZCHWWBLHM-ICSRJNTNSA-N 347.418 2.227 30 40 EEEB N#C[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218411703 SGISAVLCPCVIGQ-IKGGRYGDSA-N 331.368 2.268 30 40 EEEB C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1C#N 95442320 ZKSGKVSSMBKHKW-UONOGXRCSA-N 328.821 2.041 30 40 EEEB Cc1ncc(CN2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)s1 285775675 DQNCHBYQTYJSJS-UHFFFAOYSA-N 344.415 2.420 30 40 EEEB N#Cc1ccc(C(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)cc1 96365451 HSPNNLNBEXSNSE-KRWDZBQOSA-N 340.404 2.247 30 40 EEEB Cc1ccc(N2CCC[C@@H](NCCOc3ccccc3C#N)C2)nn1 71859793 DNDNFHFJFPBTJY-QGZVFWFLSA-N 337.427 2.294 30 40 EEEB COc1ccccc1OCCNc1ncnc2c1cnn2CCC#N 97199976 CUDXDHVFPCUVLR-UHFFFAOYSA-N 338.371 2.239 30 40 EEEB CC/N=C(\NCC)S[C@H]1CC(=O)N(CCc2ccccc2)C1=O 18067817 DMODIJUNUOQSPE-AWEZNQCLSA-N 333.457 2.075 30 40 EEEB O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccco1)c1ccc(F)cc1 15109802 QZXSWQXTLRYDLG-HNNXBMFYSA-N 345.326 2.379 30 40 EEEB COc1ccccc1[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c1nccn1C 45307227 XWCYZRTZQPVHAG-XJKSGUPXSA-N 341.415 2.319 30 40 EEEB COCCn1c(C)cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c1C 36775096 OGWPVXHNAYYBBD-RGVLZGJSSA-N 326.400 2.284 30 40 EEEB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 2639496 UGEOTNNFKVXSEV-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB C#CCOc1ccccc1CN(C)S(=O)(=O)c1cnn(C(C)C)c1 96427942 GNRHUSDJYFAACQ-UHFFFAOYSA-N 347.440 2.297 30 40 EEEB Cc1cccc(N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 91554403 MRDUYIRPIVNWOJ-GOSISDBHSA-N 328.460 2.124 30 40 EEEB CC(C)(C)[C@H](C#N)NC(=O)c1cnn2cc(Br)cnc12 92421938 ONOHPBUXRJYYTD-JTQLQIEISA-N 336.193 2.160 30 40 EEEB N#C[C@H](NC(=O)CCC(=O)NC1CCCC1)c1ccc(F)cc1F 89769562 DCIVEDHVDPSQMK-HNNXBMFYSA-N 335.354 2.485 30 40 EEEB C[C@@H](C#N)CNC(=O)c1c(F)cccc1I 89901186 XIBMNEPAQLNSEZ-ZETCQYMHSA-N 332.116 2.320 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1/C=N/[C@@H]1C[C@H]2CC[C@H]1C2 408526822 GTIYEWDDRJFJLI-RIKNFOIFSA-N 343.358 2.284 30 40 EEEB CCc1cnc(CCNS(=O)(=O)c2ccc(F)c(C#N)c2)s1 96428657 ZUMKOOSVFNLOAR-UHFFFAOYSA-N 339.417 2.237 30 40 EEEB CC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2cc(O)cc(F)c2)n1 585140620 HLVQBXLRKKIDTB-UHFFFAOYSA-N 338.364 2.155 30 40 EEEB C[C@@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O 27996533 UQWLOWFDKAFKAP-DRZSPHRISA-N 325.455 2.399 30 40 EEEB N#Cc1ccccc1COc1ccc(/C=C2/NC(=S)NC2=O)cc1 378300 SXECLVTZQWRRGS-CXUHLZMHSA-N 335.388 2.482 30 40 EEEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cnccc1N(C)C 32936678 BTEHASTVSYQOEU-UHFFFAOYSA-N 340.383 2.435 30 40 EEEB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1C#N 7248197 DMPGEVRWMDVGGG-CQSZACIVSA-N 344.392 2.019 30 40 EEEB N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc4cn[nH]c4c3)C2=O)cc1 25791549 WFQXXNWYNUSGIZ-QGZVFWFLSA-N 346.346 2.397 30 40 EEEB N#Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 58280445 LMBORZCNLVVDRV-UHFFFAOYSA-N 337.383 2.066 30 40 EEEB COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3cccc(O)c3)C2=O)cc1 20935210 ZBZMQVNBYMNHJP-HDAJJNEKSA-N 339.351 2.202 30 40 EEEB COc1cccc(/C(O)=N/S(=O)(=O)c2c(C)noc2C)c1OC 48490127 NHGQEDVXFRGIMQ-UHFFFAOYSA-N 340.357 2.002 30 40 EEEB CCCCCNc1nc(NCCCO)c(C#N)c2c1CN(C)CC2 5824844 BTXROBZDLNQXQQ-UHFFFAOYSA-N 331.464 2.338 30 40 EEEB C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 15197242 OYUXZHYXCFLNIY-GFCCVEGCSA-N 328.393 2.453 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)Nc1cc(C(=O)NCC)ccc1C 69375963 MMDPZKKPVGEVAL-KRWDZBQOSA-N 327.428 2.171 30 40 EEEB COc1ccc(CN2C[C@H](C(=O)N[C@H](C#N)CC(C)C)CC2=O)cc1 69580673 WIRXGSOCHYVAJC-CVEARBPZSA-N 343.427 2.098 30 40 EEEB CC(C)c1nc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)cs1 71880111 HUSSGGSQBKZEEK-UHFFFAOYSA-N 328.397 2.393 30 40 EEEB N#Cc1ccc(CS(=O)(=O)Nc2cccc(-n3cnnc3)c2)cc1 95988783 QOVILDZNVXOPAX-UHFFFAOYSA-N 339.380 2.081 30 40 EEEB COCc1cc(C)nc(N/N=C/c2cc([N+](=O)[O-])ccc2O)c1C#N 36024600 LDZNHNLTHGZCTQ-QGMBQPNBSA-N 341.327 2.468 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cnn(C)c2)s1 78556461 VSUATEVXXULJSD-MNOVXSKESA-N 325.415 2.239 30 40 EEEB Cc1cc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)no1 69704510 JBFWICTUBISAST-SNVBAGLBSA-N 328.715 2.363 30 40 EEEB C=CC[C@@H](CC)NC(=O)NCc1cccc(NS(C)(=O)=O)c1 252487505 HXAZEIGKGRGRCX-CYBMUJFWSA-N 325.434 2.212 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CC[C@@H]2CCCO2)CC1 47460920 MVNNEKVWJYZMGC-AWEZNQCLSA-N 344.415 2.031 30 40 EEEB CCc1cc(C#N)ccc1OCc1nnc([C@@]2(OC)CCOC2)o1 591602004 ARFYVUNQTGVWTR-QGZVFWFLSA-N 329.356 2.345 30 40 EEEB N#Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 22465143 NIAKYYHYAYHBAR-MRXNPFEDSA-N 341.436 2.423 30 40 EEEB N#Cc1cccc(CN2CCO[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2087132257 MCQSVKQFAJSFLH-MRXNPFEDSA-N 349.381 2.017 30 40 EEEB CC[C@@H](C)N/C(=N/Cc1ccccc1)NC[C@H]1CCN(CCOC)C1 72271834 CHPYBNWEEVYJKO-IEBWSBKVSA-N 346.519 2.489 30 40 EEEB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1C#N 12640646 VMFLUDSDKZBEAA-GFCCVEGCSA-N 327.409 2.157 30 40 EEEB C[C@@H]1CN(CCNC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 48342035 JVMNDEYKYHRBAS-VXGBXAGGSA-N 336.823 2.442 30 40 EEEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CC 100918843 MDFPOSVOUYLSKV-PHODEOQFSA-N 335.429 2.364 30 40 EEEB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)[C@@H](C#N)c1ccccn1)C2=O 49457167 SBQQZRCYVKHVHV-WFASDCNBSA-N 333.347 2.251 30 40 EEEB C[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)N1CCOCC1 97085171 JCSHJAXXFNEUBR-JTQLQIEISA-N 327.306 2.236 30 40 EEEB CC(C)(C)OC(=O)/N=C(\NCCCCO)NC(=O)OC(C)(C)C 19045091 MOPUEYNHUWVCKB-UHFFFAOYSA-N 331.413 2.164 30 40 EEEB C=CCN1CCC(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)CC1 226747706 BOQUIDIJBHDHON-QGZVFWFLSA-N 333.457 2.398 30 40 EEEB COc1cc(N2CCC(COc3cc(C#N)ccn3)CC2)ncn1 1889109284 DWNZOXTZKGAGQL-UHFFFAOYSA-N 325.372 2.047 30 40 EEEB CC(=O)c1cccc(/N=N/c2c(C)c(C#N)c(O)n(CCO)c2=O)c1 108423599 USWVXMXRISDMND-FMQUCBEESA-N 340.339 2.344 30 40 EEEB COc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)c(OC)c1OC 3907191 GXMWCXQARDDAAB-CQSZACIVSA-N 344.371 2.182 30 40 EEEB CCOc1ccccc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 409370659 BTYUAKRAUBJTJM-OESXPMNPSA-N 336.391 2.472 30 40 EEEB C#CCN1CCC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 71916055 QTCDWZMLBUBSCZ-UHFFFAOYSA-N 343.427 2.379 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)c2ncn(-c3ccccc3)n2)cc1 91814832 BLKGTWRCDQIKGW-UHFFFAOYSA-N 342.380 2.269 30 40 EEEB CN(C(=O)CN1CCCC[C@@H]1Cn1cccn1)C1(C#N)CCCCC1 69947570 PTEYRDNUZRMQHQ-QGZVFWFLSA-N 343.475 2.422 30 40 EEEB Cc1cc(C)n(C[C@@H]2CCCCN2CC(=O)NC2(C#N)CCCC2)n1 69922832 UPLNPPVYXKFMBR-KRWDZBQOSA-N 343.475 2.307 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N\Cc3ccccc3)C2=O)cc1 408528869 XDXJVEXRXGFGOP-SDLDRHLBSA-N 335.363 2.465 30 40 EEEB CCCCc1nc(N2CCN(CCO)CC2)c(C#N)c2c1CCCC2 20590922 LJFXITNCZUIUIE-UHFFFAOYSA-N 342.487 2.289 30 40 EEEB Cc1ccc(CS(=O)(=O)NC(=O)c2cccc(C#N)c2)c(F)c1 195580343 PVHQJPJEQQOJIF-UHFFFAOYSA-N 332.356 2.266 30 40 EEEB CC(C)C[C@@H](C)Oc1cc(CNC(=O)N2CCO[C@@H](C#N)C2)ccn1 334017938 GTDWYAMRBBMXIM-ZBFHGGJFSA-N 346.431 2.329 30 40 EEEB C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 585141981 KIJXZRRCTWKWOO-CQSZACIVSA-N 334.807 2.303 30 40 EEEB CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccn1 96437079 KHBSTWMCBHCZSN-GOSISDBHSA-N 336.395 2.197 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ccncc3)C2)cc1 575612229 JWLYIPWDTOEQPF-INIZCTEOSA-N 343.408 2.185 30 40 EEEB N#C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 104394476 XWDJWHWVFZBUOW-WMZOPIPTSA-N 349.390 2.083 30 40 EEEB C=C(C)Cn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 1266755 UWVUXKZVTWISKN-UHFFFAOYSA-N 328.397 2.151 30 40 EEEB Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)c(C#N)c1C 58342744 HNHUOKVSTXKHAA-UHFFFAOYSA-N 336.374 2.303 30 40 EEEB CN(C)CCN(Cc1ccco1)C(=O)NCC#Cc1ccccc1 88481489 VNAJLWDNSNHYFR-UHFFFAOYSA-N 325.412 2.405 30 40 EEEB NC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1 408931081 GXRAHDINNWNBOJ-FYJGNVAPSA-N 339.395 2.138 30 40 EEEB Cc1oncc1C(=O)NC1CCN(C(=O)C2(C#N)CCCCC2)CC1 80398236 QRHBHERPTUHDHA-UHFFFAOYSA-N 344.415 2.178 30 40 EEEB Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2nccnc2C#N)C1 583337364 SNGCMQUMZKMTCE-SNVBAGLBSA-N 336.321 2.485 30 40 EEEB Cn1cc([C@@H]2OCCC[C@H]2C(=O)NCc2ccc(C#N)c(F)c2)cn1 590885789 RXRLVZWDPKCDDY-WBVHZDCISA-N 342.374 2.215 30 40 EEEB C#CCN(Cc1cccc(C)n1)C(=O)C#Cc1ccc2c(c1)OCO2 95417005 PQHFFCQLOCWOAQ-UHFFFAOYSA-N 332.359 2.132 30 40 EEEB N#CCOc1ccc(NC(=O)C2CCN(C(=O)NC3CC3)CC2)cc1 40553430 IUCBKPMNAMLFKT-UHFFFAOYSA-N 342.399 2.111 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Oc1ccc2ccc(=O)oc2c1 22454182 REZNYMBOKBQBSI-UHFFFAOYSA-N 327.317 2.432 30 40 EEEB CC(C)(C)NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N 4945716 AEOUVUTWLCSGQZ-UHFFFAOYSA-N 337.426 2.174 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H]2CC(=O)N(C(C)C)C2)cc1C 48474340 DUNZCYZXFZDXQM-ZDUSSCGKSA-N 338.429 2.206 30 40 EEEB C=CCOc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1 14084979 USCFGYPAYYXLQK-UHFFFAOYSA-N 335.429 2.412 30 40 EEEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CO 118935134 DCMCEXCRUWBAFV-XXWVXFISSA-N 348.483 2.459 30 40 EEEB C[C@@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccc(C#N)cc1 9496187 CYDPRSZJAYAFRJ-SNVBAGLBSA-N 341.758 2.412 30 40 EEEB CN1CCCC[C@@H]1CCN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 69150403 ISPZONPJCPNRFQ-VQIMIIECSA-N 340.427 2.200 30 40 EEEB CCOc1cccc(/C=N/n2c(S)nnc2-c2cc(C)n[nH]2)c1O 8569359 MQEYUWKTVIVGKZ-LZYBPNLTSA-N 344.400 2.252 30 40 EEEB N#Cc1cccc(CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c1 69872388 FFWLOXUEACJWBC-INIZCTEOSA-N 343.452 2.266 30 40 EEEB C#CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409148077 XARWUIXKSJRYMQ-PTNGSMBKSA-N 346.383 2.332 30 40 EEEB N#CCCn1ncc2c(N3CCO[C@@H](c4ccccc4)C3)ncnc21 97199916 CGXKOSYWAFIGIJ-MRXNPFEDSA-N 334.383 2.318 30 40 EEEB C[C@H](O)[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CCO1 582772625 RSGOHDJIMSXSCG-SCLBCKFNSA-N 340.427 2.070 30 40 EEEB Cc1cccc(NC2CCN(S(=O)(=O)CCCCC#N)CC2)n1 96421253 WQKSTBUZUKLNHZ-UHFFFAOYSA-N 336.461 2.290 30 40 EEEB Cc1cc(C#N)ccc1CONC(=N)[C@H]1CC(Br)=NO1 1616036710 UKOZZQYVWXSQHD-LLVKDONJSA-N 337.177 2.362 30 40 EEEB C=CCN(CC=C)C(=O)[C@H](C)n1nc(-c2cccs2)cc(N)c1=O 12181334 PZLQEHMQBYHMBA-LBPRGKRZSA-N 344.440 2.316 30 40 EEEB CN(C)/C=C(\C(=O)C(F)(F)F)c1nnnn1-c1ccc(Cl)cc1 5197540 VOQJFDFNFMMISM-JXMROGBWSA-N 345.712 2.350 30 40 EEEB Cc1cc[n+](C/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 2700442 HDORORZLSXUYKL-UHFFFAOYSA-O 325.797 2.281 30 40 EEEB C=CCNC(=O)NC(=O)CSc1ncnc2sc(C)c(C)c12 3516229 GQUKBSQVMJVVQE-UHFFFAOYSA-N 336.442 2.412 30 40 EEEB N#Cc1cnn2cc(CNC[C@@H]3CCN(c4ccccc4)C3)cnc12 65591680 FVAOCGOEUMXHFF-HNNXBMFYSA-N 332.411 2.217 30 40 EEEB N#Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CC1 7597048 XVNHHRGYRHVFRI-UHFFFAOYSA-N 335.363 2.468 30 40 EEEB C=CCN1CCC(NC(=O)N(C)CCOc2ccc(F)cc2)CC1 72270235 RXPUXJZOKUSSRL-UHFFFAOYSA-N 335.423 2.496 30 40 EEEB COC(=O)[C@@H](NCc1csc(N(C)C)n1)c1cccc(C#N)c1 89326849 OBPMZZAZNHGLPQ-AWEZNQCLSA-N 330.413 2.085 30 40 EEEB Cc1cc(C(=O)N2CCN(CC#Cc3ccc(Cl)cc3)CC2)on1 96455895 YNPBRXSCGUHELX-UHFFFAOYSA-N 343.814 2.446 30 40 EEEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc([N+](=O)[O-])c1 13640010 QMQIWMMDZSHAAO-PSLIRLAXSA-N 325.328 2.454 30 40 EEEB CCOc1cc(C=O)cc(I)c1OCC#N 2767139 FIJVHNGGJOCDQD-UHFFFAOYSA-N 331.109 2.405 30 40 EEEB Cc1ccc(C)c(CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)c1 95361006 GBZRVNKWVURJHA-UHFFFAOYSA-N 342.443 2.090 30 40 EEEB CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1O 108169681 FWCAQZUABPVUJS-DZGCQCFKSA-N 340.420 2.115 30 40 EEEB N#Cc1nc(N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)ccc1Cl 95430920 YHUBXBVATHKZCN-ZDUSSCGKSA-N 348.834 2.214 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)NCCc1ccc(F)cc1 5629624 PVLHDSHHNIXFAG-UHFFFAOYSA-N 328.343 2.444 30 40 EEEB Cc1cccc([C@H]2C[C@@H]2C(=O)NS(=O)(=O)c2ccc(C#N)cc2)c1 69570293 YUFANVGBOBJBOX-SJORKVTESA-N 340.404 2.475 30 40 EEEB C=CCn1c(N)nnc1SCCOc1ccc2c(c1)CCC(=O)N2 69699148 WCVFGWLATTZWLW-UHFFFAOYSA-N 345.428 2.102 30 40 EEEB CNc1cc(/C(O)=N/S(=O)(=O)c2ccccc2)cc(Cl)n1 71913728 NOKOJRFNQSSTJY-UHFFFAOYSA-N 325.777 2.470 30 40 EEEB N#Cc1cc(N2CCN(CC(F)(F)C(F)F)CC2)ccc1[N+](=O)[O-] 97144860 BBSMMGFEZPVZEH-UHFFFAOYSA-N 346.284 2.489 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)c(OC)c1 4473639 QQSLNVHVHGNFIY-UIIHFFCLSA-N 340.379 2.235 30 40 EEEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(\O)COc1cc(F)ccc1F 78602932 CHBLOFNUWHHQQP-NSHDSACASA-N 349.355 2.199 30 40 EEEB N#Cc1cnc(NC[C@@H]2CN(C(=O)c3ccco3)CCO2)c(Cl)c1 1066590275 VLZMJHFXEXMHPB-GFCCVEGCSA-N 346.774 2.153 30 40 EEEB O=S(=O)(NCC#CCOc1cccc(C(F)(F)F)c1)C1CC1 85474108 PERJUPLUDFBDHE-UHFFFAOYSA-N 333.331 2.169 30 40 EEEB CC/N=C(\NCc1cccnc1OC)NCc1sc(C)nc1C 97227632 JNCJZXHDWJMRNR-UHFFFAOYSA-N 333.461 2.419 30 40 EEEB C=CCOC[C@@H]1c2nnn(C)c2CCN1Cc1ccc(OC)cc1 96060503 SMEABAFPJAXQLL-QGZVFWFLSA-N 328.416 2.126 30 40 EEEB CO/N=C1/C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c2ccsc21 5714108 CNAYTPAPGSFYRW-WENGMCCWSA-N 339.417 2.184 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1 100058682 QHABDZVHFXVBPH-LCUJYLQDSA-N 335.407 2.284 30 40 EEEB Cc1cc(=O)oc2cc(OCC(=O)N[C@@](C)(C#N)C3CC3)ccc12 21458197 ZUVOJFMQELMDCB-SFHVURJKSA-N 326.352 2.289 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cccs2)CC1 47460541 FQSKQNHASVLGPN-UHFFFAOYSA-N 328.397 2.448 30 40 EEEB O=C(Nc1ccccc1C#Cc1ccccc1)N1CCO[C@H](CO)C1 78652465 YPMYTZNEFXTYKF-SFHVURJKSA-N 336.391 2.311 30 40 EEEB Nc1nc(N)c2c(n1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 10339105 NMIBEBYEPQAJFV-GFCCVEGCSA-N 325.347 2.345 30 40 EEEB C[C@H]1CN([C@@H](CNc2nccnc2C#N)c2cccs2)CCO1 72276402 WTZNWNWUWYIYRC-JSGCOSHPSA-N 329.429 2.284 30 40 EEEB CC(C)c1noc([C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)n1 29452359 MYGPHSHPMQJQHJ-CYBMUJFWSA-N 326.404 2.343 30 40 EEEB CC(C)S(=O)(=O)NC[C@@H]1CCCN(c2cccc(F)c2C#N)C1 65551952 MFNYJBMIBUGISD-ZDUSSCGKSA-N 339.436 2.242 30 40 EEEB CC/N=C(/NC1CC1)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 83521676 DYUWTCIVNFTQDQ-CQSZACIVSA-N 332.448 2.000 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(OCC)cc2)C1=O 5902749 CPTGKHWGYKOKSM-CCEZHUSRSA-N 343.383 2.426 30 40 EEEB CN(C)S(=O)(=O)c1ccc(SCc2ccccc2C#N)nc1 7102875 QMZOAORYACHJDT-UHFFFAOYSA-N 333.438 2.496 30 40 EEEB C#CCN1CCC(C(=O)N(CC(=O)OCC)C2CCCCC2)CC1 96412044 WXUZFXSESFHWAK-UHFFFAOYSA-N 334.460 2.056 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)N2CCCc3cc(F)ccc32)cc1 97379193 WYMVBIVRGGHPQW-UHFFFAOYSA-N 337.354 2.407 30 40 EEEB CCOc1ccc(/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)cc1 71892459 HHAYIVNTQGSXCL-AWEZNQCLSA-N 327.402 2.289 30 40 EEEB CCc1cc2c3c(c1)/C(=N/NC(N)=S)C(=O)N3C(C)(C)C=C2C 18222516 RVNKWJJYDMZLDM-UYRXBGFRSA-N 328.441 2.328 30 40 EEEB Cc1cc(C)n(C[C@@H](C)CNC(=O)C#Cc2ccc3c(c2)OCO3)n1 89593998 KCMJBLRSYYWODC-ZDUSSCGKSA-N 339.395 2.033 30 40 EEEB O=C1/C(=C\c2cnc(N3CCOCC3)nc2)COc2ccc(F)cc21 89807166 HDSRWUYKAORTTM-QPEQYQDCSA-N 341.342 2.111 30 40 EEEB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C=O)cc1 218091520 WELLFUVXPYRHHG-KZNAEPCWSA-N 341.388 2.344 30 40 EEEB C[C@]1(CO)CCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1C#N 95442322 ZKSGKVSSMBKHKW-ZIAGYGMSSA-N 328.821 2.041 30 40 EEEB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 596454561 UCNRULMSFREQDX-BLLLJJGKSA-N 327.388 2.000 30 40 EEEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1nccs1 102571709 JSMRRNCPZYWYSQ-RVDMUPIBSA-N 330.329 2.242 30 40 EEEB C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 56341644 PSYFKTONFSWXCT-UHFFFAOYSA-N 338.323 2.336 30 40 EEEB COCCCN/C(=N/Cc1cccs1)NC[C@H](C)N1CCCC1 72271907 WAFJFNOPXQKMNS-HNNXBMFYSA-N 338.521 2.304 30 40 EEEB COc1ccccc1/C=N/[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 18042650 JRMVBSAREKNUEF-LKJNDSRGSA-N 330.340 2.117 30 40 EEEB Cc1nn(CCC(=O)N[C@@H](C#N)c2ccsc2)c(C)c1[N+](=O)[O-] 69895400 MCUKSSGXLHFGMS-LBPRGKRZSA-N 333.373 2.241 30 40 EEEB CN(CC(=O)NCC#N)[C@@]1(c2ccccc2Cl)CCCCC1=O 71912089 OCWDPLJABSRCTE-QGZVFWFLSA-N 333.819 2.250 30 40 EEEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC=C)C2=O)cc1OC 409125734 FBDCADULAZDOHB-UKTHLTGXSA-N 346.770 2.439 30 40 EEEB N#CCC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 195567550 MRUOBQKGPSMDLJ-SECBINFHSA-N 332.713 2.362 30 40 EEEB C[C@H](CNS(=O)(=O)CC#N)Sc1ccc(Br)cc1 96484881 CRRLBHDUOSUVMC-SECBINFHSA-N 349.275 2.373 30 40 EEEB CN1CCC(C#N)(NC(=O)c2ccc(Br)cc2F)CC1 40221927 VTZJZOSTJHPJOT-UHFFFAOYSA-N 340.196 2.306 30 40 EEEB N#CCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3572667 ZQTMHOYQBYRAHN-UHFFFAOYSA-N 342.804 2.195 30 40 EEEB Cc1sc2ncn(CC(=O)NC3(C#N)CCCC3)c(=O)c2c1C 5319474 YMRSRQUUOYAEIR-UHFFFAOYSA-N 330.413 2.027 30 40 EEEB Cn1c(Nc2cccc(Nc3ccccc3)c2)c(C#N)c(=O)n(C)c1=O 14213249 VMKDLKQINNZVIQ-UHFFFAOYSA-N 347.378 2.443 30 40 EEEB CC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(CC#N)cc2)CC1 69485494 BPKSMEATSADGPI-UHFFFAOYSA-N 349.456 2.189 30 40 EEEB COC1(OC)[C@@H](/C=C\c2ccccc2)C(C#N)(C#N)C1(OC)OC 17241827 NXUPXBDUVJSWJJ-WOLCWHLNSA-N 328.368 2.341 30 40 EEEB N#C[C@H](NC(=O)Cn1cncn1)c1ccc(OCc2ccccc2)cc1 69813130 FNLNHIGGJMLLTD-SFHVURJKSA-N 347.378 2.238 30 40 EEEB C=CCN(CC=C)C(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408977111 VFOCTWULBILCKX-UHFFFAOYSA-N 348.362 2.091 30 40 EEEB Cc1cccc(C)c1NC(=O)N(CCC#N)CCN1CCOCC1 80164614 ZPEDIFVFRKDMFF-UHFFFAOYSA-N 330.432 2.383 30 40 EEEB N#Cc1ccc(N2CCC(n3nc4c(cc3=O)CCCC4)CC2)nc1 1776009745 ZQQKMCICLFDPKF-UHFFFAOYSA-N 335.411 2.230 30 40 EEEB COC(=O)[C@H](C#N)[C@@](C#N)(C(=O)OC)[C@@H]1C[C@H](C(C)(C)C)CCC1=O 85409329 VVYTXKBROITZSS-SDFXEEBMSA-N 348.399 2.014 30 40 EEEB C=CCOC(=O)[C@]12C[C@](C)(OC(C)=O)[C@@H]1c1ccccc1OC2=O 103108411 OXEJIIKLRXTAFZ-WBAXXEDZSA-N 330.336 2.130 30 40 EEEB Cc1cc(N2CCC(NCCO)CC2)n2c(nc3ccccc32)c1C#N 89598890 RSWXTKWXOWYWLI-UHFFFAOYSA-N 349.438 2.218 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 60370115 VDHZAESTUNUVRY-MRXNPFEDSA-N 327.409 2.433 30 40 EEEB CCn1c(C)nnc1S[C@@H]1CCN(c2sccc2C#N)C1=O 83092154 HHKGSHBKQQPWHR-LLVKDONJSA-N 333.442 2.437 30 40 EEEB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 14108789 QWUILTHOOKZDSP-UHFFFAOYSA-N 336.395 2.047 30 40 EEEB C=CCNC(=O)NC(=O)COc1ccc(C)cc1Br 9388622 OSVJYAUYWLRSDQ-UHFFFAOYSA-N 327.178 2.148 30 40 EEEB Cc1nc(CC(C)C)sc1/C(O)=N/S(=O)(=O)N1CCCC1 70035111 SRHMMFYIOHPPHA-UHFFFAOYSA-N 331.463 2.295 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1N1CC=C(c2ccccc2)CC1 71893806 RNBOYQHACVINFE-UHFFFAOYSA-N 339.420 2.499 30 40 EEEB COc1ccc(CC(=O)N2CCN(Cc3cccc(C#N)c3)CC2)cc1 71832812 XZCUCOCBEOWHHV-UHFFFAOYSA-N 349.434 2.454 30 40 EEEB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C#N)cc1 27555362 WPMLDYBRQMNMKQ-GFCCVEGCSA-N 327.409 2.157 30 40 EEEB COc1ccc(-c2nc3c4ccccc4n(CC#N)c(=O)n3n2)cc1 62639809 NKDLLFLVZCCSKL-UHFFFAOYSA-N 331.335 2.243 30 40 EEEB N#Cc1cccc(C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1 70925704 GUMSEFLXARCTQN-UHFFFAOYSA-N 348.406 2.235 30 40 EEEB C=CCn1c2c(ccc1=O)C[C@H](NC(=O)Cc1cccs1)CC2 96189713 QUIPNJZILVNOHZ-CQSZACIVSA-N 328.437 2.312 30 40 EEEB COc1ccccc1OCC#CCNC(=O)c1cnc2ccccc2n1 90610394 BUEMLSYISGGLAZ-UHFFFAOYSA-N 347.374 2.451 30 40 EEEB C=CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 604418798 GZRORUPSUHQUER-GOSISDBHSA-N 347.374 2.104 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(Cc2ncc(-c3cccs3)o2)c1 67429206 YYFJEHLMERWIIZ-UHFFFAOYSA-N 341.348 2.271 30 40 EEEB CC1=CC(=O)C=C/C1=N/OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3106635 WDWUNAKUYIQIGL-SQFISAMPSA-N 331.240 2.101 30 40 EEEB COc1cccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)c1 84635 JMIFKZVJHDWDID-GZTJUZNOSA-N 329.381 2.110 30 40 EEEB CCc1nnsc1C(=O)N1CCN([C@H](C#N)C2CCCCC2)CC1 40555819 LIOICHUKLDFRIW-OAHLLOKOSA-N 347.488 2.331 30 40 EEEB C=CCc1c(OCC(=O)OCC)ccc2nc3n(c(=O)c12)CCC3 20762752 ULKLWRJWSMJUEW-UHFFFAOYSA-N 328.368 2.013 30 40 EEEB biogenic N#Cc1ccccc1CSCCNC(=O)c1ccc2[nH]nnc2c1 32738412 YUFDONBPZRHSNL-UHFFFAOYSA-N 337.408 2.493 30 40 EEEB C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 21676200 KYLUIDJCPKGSTA-GFCCVEGCSA-N 328.393 2.453 30 40 EEEB COc1cccc(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)n1 79052985 QDTLBISLSLOUHV-CYBMUJFWSA-N 333.351 2.376 30 40 EEEB N#Cc1ccc(OC[C@H](O)CN2CCCC[C@@H]2Cn2cccn2)cc1 106843248 SIJJJVFNOBBWPR-QZTJIDSGSA-N 340.427 2.049 30 40 EEEB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cn2ccccc2c1C#N 58355071 IPNIVQHRZLWOFY-FQEVSTJZSA-N 344.418 2.484 30 40 EEEB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C#N)cc1 3309884 KTCOOGNLUMVNAU-UHFFFAOYSA-N 327.296 2.493 30 40 EEEB CCC(CC)NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086974 XLHPRPPDFZOMNB-UHFFFAOYSA-N 328.460 2.375 30 40 EEEB C#CCOc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1 4472350 VYONJIJFIDSKHV-IWQAVIMZSA-N 345.376 2.296 30 40 EEEB C=CCN(C(=O)c1ccc(SCC)nc1)[C@@H]1CCS(=O)(=O)C1 68757444 IREPKIYXLYLSDS-CYBMUJFWSA-N 340.470 2.009 30 40 EEEB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C#N)cc1 69739276 BDEZPEAVKXUZGM-KBPBESRZSA-N 349.456 2.139 30 40 EEEB C#CCN(Cc1cccc(C)n1)S(=O)(=O)c1cncc(Cl)c1 95437314 FLFMMISLJQFTRE-UHFFFAOYSA-N 335.816 2.263 30 40 EEEB C[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CCO1 95944284 URCRMBXWVRSCHY-ZDUSSCGKSA-N 330.388 2.156 30 40 EEEB N#Cc1cccc(CS(=O)(=O)NCC[C@H](O)c2ccccc2)c1 89826248 LXMCCUHVZCWVRE-KRWDZBQOSA-N 330.409 2.101 30 40 EEEB CCN(CC)CC#C[C@@H](C)OC(=O)c1cn(C)nc1C(F)(F)F 89967897 IIOVADRXZYELTR-LLVKDONJSA-N 331.338 2.329 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N\[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408526541 DINYYENRODCOOB-ZMNQDTATSA-N 339.395 2.453 30 40 EEEB N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCC(=O)NC3)c2)cc1 96414376 QSLJUKATCJFYDB-KRWDZBQOSA-N 334.379 2.310 30 40 EEEB C=C[C@@](C)(CC)C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 97104391 PWHHQCLSJMNHFV-APWZRJJASA-N 335.492 2.134 30 40 EEEB N#CCCN(CCN1CCOCC1)C(=O)Nc1cc(F)cc(F)c1 96446399 WGUNKTJFDYNBLR-UHFFFAOYSA-N 338.358 2.045 30 40 EEEB CC(C)NS(=O)(=O)Cc1ccc(CNc2cnccc2C#N)cc1 94150113 LWSLAMPUPXANCW-UHFFFAOYSA-N 344.440 2.393 30 40 EEEB CCn1cc(NC(=O)C2CCN(C(=O)C3(C#N)CCCC3)CC2)cn1 75141291 SZNKLRYLBGKMFI-UHFFFAOYSA-N 343.431 2.164 30 40 EEEB O=C(O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 2126763 XZQNJJITEYYWAI-SOFYXZRVSA-N 340.287 2.495 30 40 EEEB biogenic N#Cc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 6465305 AIXYCJHLXUYONR-UHFFFAOYSA-N 341.323 2.228 30 40 EEEB N#Cc1ccc(N2CCCN(c3cc(C(F)(F)F)ccn3)CC2)nn1 2086871608 JJESBCRCUXYUFJ-UHFFFAOYSA-N 348.332 2.479 30 40 EEEB Cc1occc1C(=O)NCC(=O)N[C@@H](C#N)c1cccc(Cl)c1 97096026 CETRIJGAJFRLTH-AWEZNQCLSA-N 331.759 2.352 30 40 EEEB CCCCCCCC[C@@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)OCC 1572142 HFAXYWDXLCVREV-LLVKDONJSA-N 343.449 2.233 30 40 EEEB CN(C(=O)CN1CCc2c(ncn2C2CC2)C1)C1(C#N)CCCCC1 71878903 QKEZFPQWUVYTKW-UHFFFAOYSA-N 341.459 2.261 30 40 EEEB CC[C@@H](C#N)NC(=O)c1cc(Br)c2c(c1)OCCO2 69454426 MSUKZNKPJFAGFP-VIFPVBQESA-N 325.162 2.252 30 40 EEEB C#CCN(C[C@H]1CCCO1)C(=O)NCCCOCCc1ccccc1 89261624 ZRQNERIREHHVJO-LJQANCHMSA-N 344.455 2.460 30 40 EEEB C#CCOCCC(=O)[C@@H](C#N)c1nc(O)c2ccc(Cl)cc2n1 89261816 BPUYOSZSVMSJPP-GFCCVEGCSA-N 329.743 2.205 30 40 EEEB CN(C)c1ncc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)n1C 75139358 ZYGKHWRHESFBFP-UHFFFAOYSA-N 343.435 2.236 30 40 EEEB C=CCN1CCC(NC(=O)C[C@@H](CC(=O)O)c2ccccc2)CC1 227115063 DWHULXNVHLWDGU-INIZCTEOSA-N 330.428 2.402 30 40 EEEB CC(C)(C)OC(=O)N1C[C@@H]2O[C@@H]2[C@@H]2O[C@@H](c3ccccc3)OC[C@H]21 44960191 QQJPAXYKZQBUAX-LEOABGAYSA-N 333.384 2.487 30 40 EEEB in-vitro N#Cc1ccc(N2CCCN(C(=O)COc3ccccc3)CC2)cn1 195535275 SVSARSOZXKKUBG-UHFFFAOYSA-N 336.395 2.071 30 40 EEEB N#CCc1cccc(S(=O)(=O)N(CCC(=O)O)C2CCCC2)c1 619471209 KYNWOCGBEXWPHQ-UHFFFAOYSA-N 336.413 2.161 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)NC2CCCCCC2)C1 225804026 UIXSZSBYZKEXKA-CQSZACIVSA-N 329.404 2.234 30 40 EEEB C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)C[C@H]1CCCCO1 79013884 JVRLBKVCSCADIS-OAHLLOKOSA-N 347.440 2.474 30 40 EEEB CC/N=C1\S[C@@H](C(=O)Nc2ccccc2OC)CC(=O)N1CC 100203543 GZFBPKGBJPZXAM-VLUKHXRESA-N 335.429 2.364 30 40 EEEB 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([N+](=O)[O-])s1 100231773 KCZFLFYOLLDLKV-HYPNLTRTSA-N 343.364 2.043 30 40 EEEB C[C@@H]1CN(/C=N\N=C/c2ccco2)CCN1/C=N\N=C\c1ccco1 104098881 FWRLLHIAUFXBGW-AUIKNLTBSA-N 340.387 2.303 30 40 EEEB Cn1c(=O)n(C)c2cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)ccc21 113856782 JOJZBZYFAVELQP-YVLHZVERSA-N 325.328 2.231 30 40 EEEB N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 12978930 JSWVHRJASFLRTL-UHFFFAOYSA-N 341.392 2.251 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1 71867379 KTPGLDIPJNYBFI-GOSISDBHSA-N 333.391 2.482 30 40 EEEB Cc1cc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c2ccccc2n1 71910335 DIOJZZCGUQYUOJ-UHFFFAOYSA-N 332.363 2.122 30 40 EEEB COc1cccc([C@H](O)C(=O)N[C@@H](C#N)c2ccc(F)cc2F)c1 95979327 LWQJBBYMNLUUOV-HOTGVXAUSA-N 332.306 2.388 30 40 EEEB Cc1[nH]nc2ncc(NS(=O)(=O)Cc3ccc(C#N)cc3)cc12 95988780 PYOUVKDAWNKCKW-UHFFFAOYSA-N 327.369 2.080 30 40 EEEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)c4cccnc4)C3)CC2=O)c1 96238889 GANBHAYSNBQJPY-FQEVSTJZSA-N 346.390 2.222 30 40 EEEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 205859878 GSVKFUUDWITSLL-NTEUORMPSA-N 341.392 2.217 30 40 EEEB C=CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cccc3c1OCCO3)CCO2 107720828 KLEAQVUAJUOLAH-KYJSFNMBSA-N 345.395 2.032 30 40 EEEB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(C#N)c1 58358044 SUWLWYAMNWQTBB-GOSISDBHSA-N 328.460 2.046 30 40 EEEB Cc1cc(C(=O)NC2CCN(c3cccc(F)c3C#N)CC2)on1 58405542 MXKTWIFIEWEVKJ-UHFFFAOYSA-N 328.347 2.393 30 40 EEEB C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(N)=O 2645408 MGUGOCZGUCYGKE-SNVBAGLBSA-N 336.392 2.148 30 40 EEEB Cc1ccc(O)c(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 49609751 HYEODOBOQLFOCS-UHFFFAOYSA-N 334.379 2.304 30 40 EEEB N#CC1(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)CCCC1 5253894 AOSIJXWRYASDLP-UHFFFAOYSA-N 330.775 2.002 30 40 EEEB CC(=O)N1C(=O)NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 5257564 GFVQQFLKXYPIFT-HNNXBMFYSA-N 329.312 2.215 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)c1 225791988 GWJYQWRQJCMBBK-UHFFFAOYSA-N 347.422 2.189 30 40 EEEB C=CCNC(=O)COc1nn(-c2ccccc2)cc1Br 227151394 AHPWIHHRRFHCRL-UHFFFAOYSA-N 336.189 2.316 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(C(=O)C4CC=CC4)C3)C2)n1 96219307 PQKOFARZBLRVNY-LPHOPBHVSA-N 338.411 2.091 30 40 EEEB C#Cc1cccc(N(CC)C(=O)c2cc(S(=O)(=O)NC)cs2)c1 96451249 VFELBSUPNXZSJT-UHFFFAOYSA-N 348.449 2.304 30 40 EEEB C/N=C(\NCc1nc(C)c(C)s1)NC[C@H]1COc2ccccc2O1 95407698 GSLYMDFORWSORU-ZDUSSCGKSA-N 346.456 2.265 30 40 EEEB CCN(CC)/C(CC(=O)C(C)(C)C)=N/CCCN1CCN(C)CC1 104200945 IDEPOYYXPUJJHZ-CZIZESTLSA-N 338.540 2.370 30 40 EEEB C=C1C[C@@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O 100043107 RSQSQJNRHICNNH-JJFQCNDFSA-N 332.396 2.136 30 40 EEEB C=CCOC(=O)[C@@H]1[C@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@@]1(C)O 101329424 NWUXBZWNOPUFOF-QIIPPGSGSA-N 346.358 2.039 30 40 EEEB C[C@H]1CC[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 95987300 VTLLHTXVLHZVGK-XHSDSOJGSA-N 346.500 2.330 30 40 EEEB CN(CCC#N)C(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 3317733 LRJQTWQYNUPWCT-VMPITWQZSA-N 338.310 2.216 30 40 EEEB CC(C)OCCCn1cc(C(=O)c2ccccc2O)cc(C#N)c1=O 14160975 WEHSGOMJNJCHDN-UHFFFAOYSA-N 340.379 2.472 30 40 EEEB CN(C)CCOc1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccn1 97237445 ZNXKIKDANGXHLO-UHFFFAOYSA-N 328.347 2.285 30 40 EEEB COC[C@@H](C)S(=O)(=O)/N=C(\O)c1csc(-c2ccccc2)n1 73838603 JKKATJJOYWASAX-SNVBAGLBSA-N 340.426 2.479 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)NCCc2ccc(Cl)cc2)cc1 89787490 NVTJWVLLUKYVQG-UHFFFAOYSA-N 341.798 2.300 30 40 EEEB C=CC/N=C(\NC[C@H]1CCN(CCOC)C1)N[C@H](C)c1ccccc1 75583137 IGCZZKBJBISPNJ-QZTJIDSGSA-N 344.503 2.437 30 40 EEEB CN(CC#CCNC(=O)COc1ccc(F)cc1)Cc1ccccc1 85470614 GSSYOUHDZFUOAN-UHFFFAOYSA-N 340.398 2.456 30 40 EEEB Cc1cc(CNc2ccc(C#N)cc2[N+](=O)[O-])ccc1S(N)(=O)=O 390835092 CIANXIZNIRSGAZ-UHFFFAOYSA-N 346.368 2.034 30 40 EEEB N#Cc1ccc(CC(=O)Nc2ccc(F)c(N3CCOCC3)c2)cn1 585123925 PKJRCYINRBBMON-UHFFFAOYSA-N 340.358 2.110 30 40 EEEB COc1ccc(-c2nc(CNC(=O)c3cccc(C#N)c3)n[nH]2)cc1 69740359 UTYLQJDFFYZVPV-UHFFFAOYSA-N 333.351 2.282 30 40 EEEB COC(=O)C[C@@H](NC(=O)CC#N)c1ccc(Br)cc1 153536830 NGDQNMLLGPVLKH-LLVKDONJSA-N 325.162 2.083 30 40 EEEB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cccn2C)cc1 4564242 BCADKCZHINRDBV-UHFFFAOYSA-N 325.368 2.437 30 40 EEEB C#CCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1 4536047 CEVNMXBJSIBZTD-QGZVFWFLSA-N 325.339 2.343 30 40 EEEB CSc1nc(NN)cc([C@@H](C#N)c2nc3ccccc3n2C)n1 534358 NZQVLIBKPUQNPA-SECBINFHSA-N 325.401 2.026 30 40 EEEB N#Cc1ccc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)nc1 58217680 XAMDWVDUQLSSKD-UHFFFAOYSA-N 348.410 2.150 30 40 EEEB C=CCn1nnnc1S[C@H](C)C(=O)c1ccc(OC)c(OC)c1 58484965 WRFAASNUJAHZFU-SNVBAGLBSA-N 334.401 2.240 30 40 EEEB N#Cc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 47031936 AIXPNWFRFOIUHT-INIZCTEOSA-N 345.424 2.267 30 40 EEEB N#CC1(NC(=O)COC(=O)c2n[nH]c3ccccc23)CCCCC1 5360720 IOWPJYNWFZURQV-UHFFFAOYSA-N 326.356 2.062 30 40 EEEB CN(CCCNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 7059294 HOVNZWNEYWAFFU-UHFFFAOYSA-N 329.425 2.363 30 40 EEEB C/N=C(/NCc1ncnn1C)N1CC[C@@](C)(CCc2ccccc2)C1 225464649 HSDIYFMNIMMNKU-LJQANCHMSA-N 340.475 2.235 30 40 EEEB CCc1cc(C#N)ccc1OCc1nnc([C@]2(OC)CCOC2)o1 591602003 ARFYVUNQTGVWTR-KRWDZBQOSA-N 329.356 2.345 30 40 EEEB CS(=O)(=O)c1n[nH]c(/N=C(\O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)n1 71886012 CMRAFRHWKXYQIK-ZJUUUORDSA-N 340.792 2.253 30 40 EEEB CN(c1ccccc1)c1ccc(C(=O)[C@H](C#N)C(=O)NC2CC2)cn1 102017630 AKHRFAZYNOQFAM-INIZCTEOSA-N 334.379 2.451 30 40 EEEB CC(=O)Nc1cc(S(=O)(=O)N(CCC#N)CC2CC2)ccc1C 78822635 FKZARFYGVZZUHY-UHFFFAOYSA-N 335.429 2.268 30 40 EEEB Cc1nc(CCNC(=O)CCc2c(C)nn(CCC#N)c2C)cs1 22956563 IYIBTGFSDZUIBI-UHFFFAOYSA-N 345.472 2.470 30 40 EEEB CC/N=C1/S[C@H](C(=O)Nc2ccc(C(=O)O)cc2)CC(=O)N1CC 100593551 QENDNHQQFYSJMC-ZFHSLQLHSA-N 349.412 2.053 30 40 EEEB C=CCSC/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48470316 RFBRTRORSLJWQV-UHFFFAOYSA-N 329.399 2.022 30 40 EEEB CCOC(=O)NCC/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 48418085 GPZUIYQIUKZMEW-UHFFFAOYSA-N 334.781 2.121 30 40 EEEB CC[C@@H]1S/C(=N\S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O 18155799 PCMNADZKATXNNI-YLCNQMKUSA-N 330.406 2.244 30 40 EEEB c1ccc(C/N=C(/NCCc2ccccn2)NCCn2ccnc2)cc1 75127758 VINSINNIBKPYGN-UHFFFAOYSA-N 348.454 2.256 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N\Cc3ccco3)C2=O)c1 408528855 XBDBUCYVUWNNEV-KPYNCUPYSA-N 325.324 2.058 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408527088 KPOWHHFMHSNGMV-PQBAFLRRSA-N 339.395 2.453 30 40 EEEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/N1C(=O)c2ccccc2C1=O 408741951 SYDXBWJZQQXVQD-MBTVCVBTSA-N 346.346 2.307 30 40 EEEB O=S(=O)(NCC#CCN1CCCCC1)c1cccc2cccnc12 75164805 DLASLZRSOSWRHY-UHFFFAOYSA-N 343.452 2.002 30 40 EEEB Nc1ccc(S(=O)(=O)N/N=C\C=C/c2ccccc2[N+](=O)[O-])cc1 17284210 WVEMQFVVHNUQTB-OOXWHRHZSA-N 346.368 2.155 30 40 EEEB C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 619676939 AEKJZFILMVHOBG-WRWORJQWSA-N 326.183 2.262 30 40 EEEB N#Cc1ccc(N2CCN(c3ccc(NC(=O)C4CC4)nc3)CC2)nc1 2298049594 RCTQRIMDTXPPOW-UHFFFAOYSA-N 348.410 2.023 30 40 EEEB CN(/N=C/c1ccccc1)C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 20074842 WJRWFOKNFITMKU-MHWRWJLKSA-N 344.352 2.010 30 40 EEEB Cc1ccc(-c2noc(Cn3nc(C)c(C)c(C#N)c3=O)n2)cc1F 43767067 UGFOZKPKFRSUEL-UHFFFAOYSA-N 339.330 2.278 30 40 EEEB CS(=O)(=O)CCNCc1cccc(OCc2cccc(C#N)c2)c1 62423064 KOTKXCJTBPZKON-UHFFFAOYSA-N 344.436 2.271 30 40 EEEB CC(=O)N[C@H](/C(O)=N/S(=O)(=O)c1ccc(C)cc1)C1CCCC1 48422076 SFKVTNLEHNCPFZ-HNNXBMFYSA-N 338.429 2.335 30 40 EEEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)c1ccc2c(c1)CCO2 48506418 URRFAIQLVMPASY-UHFFFAOYSA-N 342.376 2.328 30 40 EEEB COC(=O)/C=C1\SC(N2CCOCC2)=C(c2ccccc2)C1=O 13566862 MEVFXGTXKWIERD-QBFSEMIESA-N 331.393 2.060 30 40 EEEB COC(=O)c1ccccc1NC(=O)CSc1ncccc1C#N 7051596 VRGUTUXODGOVCF-UHFFFAOYSA-N 327.365 2.471 30 40 EEEB COc1ccc(-c2n[nH]c(CNCc3cc(C#N)n(C)c3C)n2)cc1 95409899 DSJAVLYUBHGRFX-UHFFFAOYSA-N 336.399 2.289 30 40 EEEB C/N=C(\NCc1c(C)nn(-c2ccccc2)c1C)N[C@@H](C)COC 73583395 BFNQZQIRFDHOSR-ZDUSSCGKSA-N 329.448 2.189 30 40 EEEB COC[C@@H](C)S(=O)(=O)/N=C(\O)c1nc(-c2ccco2)sc1C 73839215 SHTPFECUWAGDME-MRVPVSSYSA-N 344.414 2.381 30 40 EEEB N#C[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccccc1F 89851238 JJBMRAWCOZDRML-MRXNPFEDSA-N 335.342 2.465 30 40 EEEB C[C@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCOCC3)CCC[C@H]2[C@@H]1c1ccccc1 39317990 ONQNHBXJKYZNBG-RNIPGJKVSA-N 344.411 2.259 30 40 EEEB O=S(=O)(/N=C(\O)c1ccn(-c2cccc(F)c2)n1)c1cccnc1 63234803 JWJQWSLGMWIZQI-UHFFFAOYSA-N 346.343 2.100 30 40 EEEB CNC(=NCc1ccccc1-c1ccc(Cn2cncn2)cc1)NC 195529799 GTZAKGZRVZTNHH-UHFFFAOYSA-N 334.427 2.288 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 225481106 VXHOKSCJLPGWJQ-ROJDOSBLSA-N 334.379 2.431 30 40 EEEB N#Cc1cccc(CN2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)c1 96188425 HUDNTDGNUOJTQE-SFHVURJKSA-N 349.438 2.009 30 40 EEEB CC1=C(O)[C@@H]2[C@@H](O)[C@]3(CC[C@@H]4[C@@H](/C=C(\C)C(=O)[C@@]2(O)C1)C4(C)C)CO3 1560408657 JOBKOEODEPTTPY-DXUJEJDXSA-N 348.439 2.281 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1OC 12393054 AJOZUAJEQPCWCU-DWUANCBBSA-N 340.379 2.235 30 40 EEEB C[C@H](Oc1ccc(CC(=O)O)cc1)C(=O)NC1(C#N)CCCCC1 13421163 ZCBXFAVNPLSBBG-ZDUSSCGKSA-N 330.384 2.424 30 40 EEEB N#Cc1ccnc(N2CCN(c3nccc(-c4cccnc4)n3)CC2)c1 2298065000 ITADWOLZKQTIKL-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB N#CCCCCN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 79035331 YBVILTMUGBYOMH-SFHVURJKSA-N 326.444 2.103 30 40 EEEB CCCOc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nnnn21 4368780 CADQBJNINOJPCE-MRXNPFEDSA-N 325.372 2.484 30 40 EEEB N#CC1(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)CCCC1 84538984 UXINQEUBXGOEGU-ROUUACIJSA-N 339.439 2.182 30 40 EEEB COc1cccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c1 55742237 PHOWNJRZCZGRCT-UHFFFAOYSA-N 336.395 2.314 30 40 EEEB CN1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccc(C#N)c3)CC[C@@H]21 107769811 KRXAPZHBFLJRQU-AABGKKOBSA-N 335.455 2.350 30 40 EEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 5342409 LBDWQOGLKVUGDZ-FJOSAAFMSA-N 338.454 2.088 30 40 EEEB N#C[C@]1(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)CCSC1 96459213 MMSSNVODGCGMSJ-QGZVFWFLSA-N 343.383 2.106 30 40 EEEB C=CCNC(=O)[C@H](C)OC(=O)c1ccc(OC[C@H]2CCCO2)cc1 7463286 OWHWLYFZCOFVMI-XJKSGUPXSA-N 333.384 2.092 30 40 EEEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN2CCCC[C@H]2C1 71839823 YWRNEGBHFZNRIR-KRWDZBQOSA-N 343.475 2.043 30 40 EEEB Cc1cc(C)n(C[C@@H]2CN(Cc3ccc(C#N)cc3F)CCO2)n1 69349936 WXWUZIVELGTROH-KRWDZBQOSA-N 328.391 2.412 30 40 EEEB COC(=O)c1occc1CN1CCN(c2ccccc2C#N)CC1 69488368 MKLRXMBJIRXRPH-UHFFFAOYSA-N 325.368 2.260 30 40 EEEB C#C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 583651400 MMLYTIKMADFPEV-STQMWFEESA-N 332.350 2.190 30 40 EEEB N#Cc1cccc(C(=O)N2CCC[C@@H](Oc3ncc(F)cn3)C2)c1 575604649 BTWDEKOKVPRPLA-OAHLLOKOSA-N 326.331 2.171 30 40 EEEB N#CCN(CC(=O)N[C@H](c1ccccc1)c1nccs1)C1CC1 100839783 VEFYHNSLDOQELL-MRXNPFEDSA-N 326.425 2.337 30 40 EEEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc1 12345667 JJKIUNLIBITPPK-HNNXBMFYSA-N 325.372 2.340 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N2CCOCC2)cc1 100305010 CYMNENNJRJQNSV-HNENSFHCSA-N 344.436 2.463 30 40 EEEB C/N=C(/NC[C@@H]1CCCN(C)C1)N[C@H]1CCCN(c2ccccc2)C1 108485483 MZFYEAOBIAXZSS-ROUUACIJSA-N 343.519 2.162 30 40 EEEB C/C(=N/N=C1\NC(=O)[C@H](CC(=O)O)S1)c1ccc(Cl)cc1 9189447 VYKAUZXSJNDTEF-QOZZSIDGSA-N 325.777 2.126 30 40 EEEB CN(Cc1nnc2n1CCCCC2)C(=O)CCc1ccc(C#N)cc1 45064404 IPFBAIPZAXOTPD-UHFFFAOYSA-N 337.427 2.467 30 40 EEEB Cc1noc(C)c1CN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 29585912 BRAFOHOIRLYLPR-UHFFFAOYSA-N 341.371 2.394 30 40 EEEB Cn1cc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cn1 14702621 NHAQPHVNKOAEDB-UHFFFAOYSA-N 336.351 2.328 30 40 EEEB C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 195580576 MYQAHHWKOKHHSC-QMMMGPOBSA-N 346.330 2.018 30 40 EEEB C=CCOC[C@@H]1CN(Cc2ccncc2)Cc2nnn(CC3CC3)c21 96045636 MHQDKEZHBKLGJQ-KRWDZBQOSA-N 339.443 2.385 30 40 EEEB N#Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccsc1C(=O)O 1601114182 MVRUQCIFZVCZCC-LBPRGKRZSA-N 348.405 2.284 30 40 EEEB COCCn1cc2c(n1)[C@H](NC(=O)C1(C#N)CCCCC1)CCC2 96002926 UFQHSTZXBIEDDX-OAHLLOKOSA-N 330.432 2.497 30 40 EEEB Cn1cc(C(=O)NCC2CCN(c3ccc(C#N)cc3F)CC2)cn1 96429365 RHAOLCZJNNXFOZ-UHFFFAOYSA-N 341.390 2.077 30 40 EEEB C/C(=C\C(=O)[C@H](C#N)C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 103682084 WDVKFNLOEGZCRE-YQOCHDBPSA-N 330.359 2.233 30 40 EEEB Cc1cnc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cn1 3318768 QALZMWPFIZUKTJ-UHFFFAOYSA-N 330.731 2.106 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(C(C)(C)C)c1 65458436 DJQJESQWHJZBHJ-UHFFFAOYSA-N 341.415 2.386 30 40 EEEB C#CCOc1ccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 81627227 RVWKBYVZBHDALV-CQSZACIVSA-N 328.290 2.230 30 40 EEEB C[C@@H](/N=C(/NCCCn1cccn1)NCc1ccco1)[C@@H]1CCCO1 95948108 RHQKUJRMNMXLNP-WBVHZDCISA-N 345.447 2.169 30 40 EEEB Cc1ccc(F)c(NC(=O)N(CCC#N)CCN2CCOCC2)c1 80164411 GBYOSWYHGPBRSF-UHFFFAOYSA-N 334.395 2.214 30 40 EEEB N#CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1 224669084 YCMKREHMHDJKID-UHFFFAOYSA-N 330.365 2.033 30 40 EEEB C[C@@H](CO)NC(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1 96453585 JKZBHLCOLXMUJV-LBPRGKRZSA-N 327.359 2.420 30 40 EEEB COCCN(CC(C)C)C(=O)c1cccc(-n2ncc(C#N)c2N)c1 95394608 WONREGOTLVYTHJ-UHFFFAOYSA-N 341.415 2.071 30 40 EEEB N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCC(=O)NC3)c2)cc1 96414375 QSLJUKATCJFYDB-QGZVFWFLSA-N 334.379 2.310 30 40 EEEB CN(C)c1ccnc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 97379023 NDTKUMUTQUYPGJ-IBGZPJMESA-N 349.438 2.170 30 40 EEEB C[C@@H]1CN([C@@H]2/C(=N/O)[C@H]3CC[C@H]2C3)CCN1[C@H]1/C(=N/O)[C@H]2CC[C@H]1C2 257345288 NVGJHFALHAUOTL-QZKPNJGMSA-N 346.475 2.250 30 40 EEEB C/C(=N\NS(=O)(=O)Cc1ccc(F)cc1)c1scnc1C 98055387 MRACLBXZDDAFEU-MHWRWJLKSA-N 327.406 2.434 30 40 EEEB O=C1C[C@@H](c2ccccc2)N2N=C(/N=C(\O)Cc3ccccc3)NC2=N1 1276240 PPVCQTDAWOGYEM-HNNXBMFYSA-N 347.378 2.389 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC#N)c1 3564511 HUSCODUMFDEMOC-UHFFFAOYSA-N 330.793 2.051 30 40 EEEB N#Cc1ccc(N2C[C@H]3CCN(c4nc(C5CC5)ns4)[C@H]3C2)nc1 1889096071 ZDOYBWJPGPXMNU-KGLIPLIRSA-N 338.440 2.397 30 40 EEEB N#Cc1nccnc1N1CCN(C(=O)c2cccc3ccccc23)CC1 71185614 WINLIDVBXCRNQA-UHFFFAOYSA-N 343.390 2.464 30 40 EEEB COc1cc(OC)c(OC)cc1/C=C/C(=O)N(CCC#N)CCC#N 58282604 IFNSXURQLHILGH-VOTSOKGWSA-N 343.383 2.382 30 40 EEEB N#Cc1ccc(N2CCN(c3cnnc(O)c3Cl)CC2)c(F)c1 58368388 ZTFIMUHWYQDSDV-UHFFFAOYSA-N 333.754 2.173 30 40 EEEB Cc1noc(C)c1CN(C)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 46406228 FVAFUWGULKAURG-UHFFFAOYSA-N 342.399 2.059 30 40 EEEB CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cccc(C#N)c3)nc2c1 48877952 VRMGSESVHJYRQG-UHFFFAOYSA-N 326.381 2.352 30 40 EEEB C/C(=N/NC(N)=S)c1ccc2c(Br)cc(=O)oc2c1 4600613 GFYGKHDYQJOICX-UUASQNMZSA-N 340.202 2.113 30 40 EEEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccs1)C1=C(CCCC1=O)N2 6938369 SCLZIXIGAMFKOQ-CYBMUJFWSA-N 343.408 2.183 30 40 EEEB N#Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Cl 69370809 DBWDUBSUKGLVPI-CVEARBPZSA-N 348.834 2.275 30 40 EEEB Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)no1 69485005 OUKGCZFHCQPEDB-AWEZNQCLSA-N 342.380 2.009 30 40 EEEB Cc1noc([C@H](C)N2CCN(CCOc3cccc(C#N)c3)CC2)n1 69652473 ZQYKJGLWVCHDEG-AWEZNQCLSA-N 341.415 2.007 30 40 EEEB N#CC1(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CCCCC1 69632074 LACMZGKGALJECD-GOSISDBHSA-N 341.455 2.338 30 40 EEEB Cc1cnn(CCCCCN2CCN(c3cc(C#N)ccn3)CC2)c1 69777259 IGYNKSWMHFVRGQ-UHFFFAOYSA-N 338.459 2.451 30 40 EEEB C=CCN1CCC(NC(=O)N(C)Cc2cc(C(=O)OC)c(C)o2)CC1 72270224 WKNFXPIOIJKJMM-UHFFFAOYSA-N 349.431 2.166 30 40 EEEB N#Cc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1 216780464 BDLOGFXODQXOOI-SFHVURJKSA-N 335.367 2.322 30 40 EEEB C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)N(C)CCC#N 79030255 IWAJKIQHLOPALN-OAHLLOKOSA-N 342.443 2.372 30 40 EEEB C[C@H](C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F)n1cncn1 79039247 MXOAAFBIWZDJKO-LLVKDONJSA-N 337.305 2.302 30 40 EEEB CC[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 83537994 WZJZATPNNMFXLM-LLVKDONJSA-N 348.346 2.377 30 40 EEEB C#Cc1cccc(N(C)S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 96426100 WLGSBWVTZLTHOP-UHFFFAOYSA-N 342.420 2.476 30 40 EEEB O=C(NCC#CCOc1ccc2c(c1)OCO2)c1cc(C2CC2)on1 90730905 GPUZXAMOOZGFDI-UHFFFAOYSA-N 340.335 2.093 30 40 EEEB NC(=O)c1ccccc1OCC#CCNC(=O)Nc1cccs1 90743910 ABAYDKVVUSUSQE-UHFFFAOYSA-N 329.381 2.051 30 40 EEEB O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCN2)cc1)c1ccccc1 35264453 CLLHVIKANFDEMX-UHFFFAOYSA-N 343.408 2.410 30 40 EEEB CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1CC(=O)N(C)CCC#N 5414037 IAYZVPGNVLYHIE-HOTGVXAUSA-N 342.443 2.332 30 40 EEEB biogenic,in-vitro C=CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CCCC 15867606 QVVPOKLZACDHPX-UHFFFAOYSA-N 335.429 2.330 30 40 EEEB N#Cc1c(F)cccc1NCCCN1C(=O)NC2(CCCC2)C1=O 40463410 DDBMPVVXRYCPGD-UHFFFAOYSA-N 330.363 2.364 30 40 EEEB NS(=O)(=O)c1ccc(N/N=C2/CCc3ccccc32)c([N+](=O)[O-])c1 33677299 VOODBCZQCBJZGN-LGMDPLHJSA-N 346.368 2.005 30 40 EEEB CCC(=O)/N=C(/NC(=O)CC)Nc1nc(C)c2ccc(OC)cc2n1 2311319 UIHMAHKSLRGUPT-UHFFFAOYSA-N 343.387 2.178 30 40 EEEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC[C@H]1CCCO1 29161622 JYKLPHOINAMVGR-NEPJUHHUSA-N 326.356 2.001 30 40 EEEB C[C@](C#N)(NC(=O)CNc1cc2c(cc1Cl)OCCO2)C1CC1 29691097 LBCNIJAEACAIFQ-MRXNPFEDSA-N 335.791 2.332 30 40 EEEB COc1ccc(/C=N/Nc2nc(=O)c(Cc3ccccc3)n[nH]2)cc1 13638730 BBMLIVOTBGRGQE-XDHOZWIPSA-N 335.367 2.210 30 40 EEEB N#Cc1nccnc1N1CCc2c(ncn2CCc2ccccc2)C1 97049836 LFJMUCFAGXRGAU-UHFFFAOYSA-N 330.395 2.350 30 40 EEEB CC(C)[C@@H](C#N)NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 69668143 ZGXPPQBCWOKUQB-DLBZAZTESA-N 327.428 2.132 30 40 EEEB C[C@@H]1CN(C[C@H](C#N)CCC#N)CCN1C[C@H](O)c1ccccc1 69870968 GGJVYLMRTBWNMT-AOIWGVFYSA-N 326.444 2.170 30 40 EEEB Cc1noc(C2(NS(=O)(=O)c3ccc(C#N)cc3)CCCCC2)n1 75164138 UCDUSFVYZQHQOM-UHFFFAOYSA-N 346.412 2.388 30 40 EEEB COC[C@H]1CN(Cc2ccc(C#N)cc2Br)CCO1 181119942 JZMPWEKOYCDPIR-CYBMUJFWSA-N 325.206 2.168 30 40 EEEB C/N=C(/NCc1nncn1C)N[C@H](C)c1ccc(OCC(C)C)cc1 97229978 YEYLOQTXRTYWMS-CQSZACIVSA-N 344.463 2.276 30 40 EEEB C#CCCCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 585135885 HJRJMWGQIAYXMS-UHFFFAOYSA-N 344.776 2.247 30 40 EEEB COc1ccc(C#N)cc1NC(=O)NC[C@@H](O)COc1ccccc1 50107770 RBYQEDFUSYFHOP-CQSZACIVSA-N 341.367 2.128 30 40 EEEB N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)cc1 44966046 NWUFHMHOAPSSJA-UHFFFAOYSA-N 340.404 2.062 30 40 EEEB N#Cc1cccc(CNC(=O)CN2C(=O)CSc3ccccc32)c1 45214664 YXPYUHZWSQKVNJ-UHFFFAOYSA-N 337.404 2.313 30 40 EEEB N#Cc1ncn(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n1 14144253 NTIKFWJGPGIAJQ-INIZCTEOSA-N 341.371 2.256 30 40 EEEB COCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 95405761 FXMPEKJYRJFCHK-GOEBONIOSA-N 330.432 2.019 30 40 EEEB Cc1nnc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c(C#N)c1C 84057846 GPWGAYQTTLADPI-RTBURBONSA-N 349.438 2.055 30 40 EEEB C[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 95406930 RNOSNRHWMZHNGN-GXTWGEPZSA-N 345.447 2.225 30 40 EEEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 218033352 FXZHTSSYVPDVHL-YQQAZPJKSA-N 327.361 2.221 30 40 EEEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(\O)c1cc(F)c(F)c(F)c1 78411449 MYRKDMJAGQWKBX-VIFPVBQESA-N 337.319 2.307 30 40 EEEB C=CCN1CCC(NC(=O)c2cccc(OCC(F)(F)F)n2)CC1 96417012 NYCSHZVRFOZHGL-UHFFFAOYSA-N 343.349 2.403 30 40 EEEB Cc1cc(F)ccc1S(=O)(=O)N(CCC#N)C[C@@H]1CCOC1 69654482 KOCYEIIFGGQNRW-ZDUSSCGKSA-N 326.393 2.075 30 40 EEEB Cn1nc(C2CCN(Cc3ccccc3C#N)CC2)n(C2CC2)c1=O 77154156 LKVFXWUGOKCWNT-UHFFFAOYSA-N 337.427 2.168 30 40 EEEB C#CCOn1c(-n2nc(CC(C)C)cc2C)nc2ccccc2c1=O 8491527 GXYWUUXEPGWUFQ-UHFFFAOYSA-N 336.395 2.151 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 101266972 FHPPARNASWIELB-SDADXPQNSA-N 340.379 2.064 30 40 EEEB CC1(C)C(=O)N(CC(=O)Nc2cccc(C#N)c2)C(=O)c2ccccc21 95444426 YDYZHXXNBQLCBD-UHFFFAOYSA-N 347.374 2.457 30 40 EEEB COCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 2308022 BTTMQMZUPJINCY-CYBMUJFWSA-N 340.383 2.027 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 95964942 DMLDKZSQEVIAJL-UKRRQHHQSA-N 342.447 2.101 30 40 EEEB CC(C)N(Cc1cccnc1)C(=O)NCCNc1ncccc1C#N 75127588 GBDOOGYXPBFAGR-UHFFFAOYSA-N 338.415 2.380 30 40 EEEB COC(=O)c1coc(CN2CCN([C@H](C#N)c3ccccc3)CC2)c1 88524097 LLWAJDOOZXWDSO-GOSISDBHSA-N 339.395 2.449 30 40 EEEB C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2S(=O)(=O)c2cccs2)O1 96186076 HMBMSCUDFCCOJY-IHRRRGAJSA-N 343.470 2.261 30 40 EEEB COC(=O)c1nn(C[C@H](C#N)CCC#N)c(C)c1Br 95438816 NABCJIKWGXGHGI-VIFPVBQESA-N 325.166 2.184 30 40 EEEB CCN1CCN(c2cc3c(cc2F)c(=O)c(C#N)cn3CC)CC1 85346165 TZZBJBUGOUSTFI-UHFFFAOYSA-N 328.391 2.174 30 40 EEEB Cc1nc2c(c(N3C[C@H]4CN(c5cccc(C#N)n5)C[C@@H]4C3)n1)CCC2 1888864097 LDENBENAFXEXIG-HUUCEWRRSA-N 346.438 2.113 30 40 EEEB N#Cc1ccc(CS(=O)(=O)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 106773381 GTKXKNJSSSTWRU-HRCADAONSA-N 332.425 2.331 30 40 EEEB C=CCN(C(=O)c1ccc2c(=O)n(CC)c(=O)[nH]c2c1)C1CCCC1 57263017 IQOMZYNVHUBVMW-UHFFFAOYSA-N 341.411 2.281 30 40 EEEB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCCC#N 57996574 BDANNJZIFXJGRV-OAHLLOKOSA-N 332.400 2.470 30 40 EEEB N#CCCCS(=O)(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 95993972 QUTMHEKDMXDHHI-OAHLLOKOSA-N 338.404 2.496 30 40 EEEB Cn1c(CON=C2c3ccccc3-c3ccccc32)cc(=O)n(C)c1=O 95348717 UNZYIOYDWMLWLJ-UHFFFAOYSA-N 347.374 2.034 30 40 EEEB COc1ccc(CCC/C(O)=N/S(=O)(=O)c2cnn(C)c2)cc1 61067563 UDMMVOLGKILAGB-UHFFFAOYSA-N 337.401 2.097 30 40 EEEB Cc1ccc([N+](=O)[O-])cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009267 BIGZXDRVYFPTNQ-UHFFFAOYSA-N 349.350 2.496 30 40 EEEB C#CCOc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)cc1OC 5100243 OADLIDPYXNLJKR-ZROIWOOFSA-N 345.380 2.352 30 40 EEEB C=C(C)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 7987038 ZGVQSYALVGPSEW-UHFFFAOYSA-N 326.374 2.334 30 40 EEEB COc1cc(NCCOc2ccc(C#N)cc2)c(C(N)=O)cc1OC 69352211 AUYIWSQZXMNABX-UHFFFAOYSA-N 341.367 2.165 30 40 EEEB COc1ccccc1C(=O)N1CCN(c2ccc(N)cc2C#N)CC1 70462128 SCNWFFZYQGMSHY-UHFFFAOYSA-N 336.395 2.111 30 40 EEEB C[C@@H]1Oc2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc2NC1=O 71538705 IAJXRCBQIRZOHM-JTQLQIEISA-N 343.364 2.078 30 40 EEEB O=C(NCC[S@](=O)C(F)(F)F)c1cc(F)c(F)c(F)c1F 585127525 CFHILOBNWYIJBY-NRFANRHFSA-N 337.216 2.241 30 40 EEEB N#Cc1ccc(CCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 594881912 LLEGNXBAMATFJP-HXUWFJFHSA-N 347.374 2.331 30 40 EEEB COc1ccc(CN2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)cn1 1889109275 CLDXSLZRBLEGIQ-IRXDYDNUSA-N 335.411 2.068 30 40 EEEB C=CCN1CCO[C@H]2CN(C(=O)/C=C/c3cccs3)CC[C@H]2C1 1565548617 GJGNZGOAMURHCC-KAWBWNIXSA-N 332.469 2.497 30 40 EEEB C#CCNC(=O)c1ccc(NCc2ccnc(N3CCCCC3)c2)nc1 79030958 JBUJMYXFYJSLBK-UHFFFAOYSA-N 349.438 2.442 30 40 EEEB CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CC#N 3219671 HADQLLUIWKUGNB-UHFFFAOYSA-N 335.307 2.264 30 40 EEEB NC(=O)Cn1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 6816717 IZMSCHBSKHHHCG-DJKKODMXSA-N 337.339 2.481 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)c1ccc2c(c1)OCO2 58356897 NGWPKFGLYRPHQI-GOSISDBHSA-N 331.416 2.294 30 40 EEEB C[S@@](=O)c1ccc(C(=O)NCCNc2cccc(F)c2C#N)cc1 65493167 ARXAPVKOLSEKRU-DEOSSOPVSA-N 345.399 2.277 30 40 EEEB C=CCSCC(=O)Nc1ccccc1OCCN1CCN(C)CC1 69617076 UJRTZIKAWRRRNU-UHFFFAOYSA-N 349.500 2.171 30 40 EEEB C[C@@H]1CN2C[C@H]3CCC(=O)C4=C(CCO)CC[C@@]45C(=O)[C@@H]1C[C@@H]2[C@@]35C 34773231 XALHQXXUICHGPI-YSQOEHLKSA-N 343.467 2.354 30 40 EEEB biogenic CO[C@@H]1CCN(C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C1 1565522064 HXYRNMYIMYFCBG-LJQANCHMSA-N 341.455 2.203 30 40 EEEB N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@](C#N)(c2ccccn2)C1 585098893 OFPSNBDRCDXSEG-KRWDZBQOSA-N 334.339 2.318 30 40 EEEB CCn1cc([C@@H]2OCCC[C@H]2CNc2n[nH]c(C3CC3)c2C#N)cn1 594945583 FUJOPCQAOVYOBC-SUMWQHHRSA-N 340.431 2.955 30 40 EEEB C=CCN(Cc1nc(N)nc(N(C)C)n1)Cc1ccc(Cl)s1 23641632 QIOORPPTLWZNLC-UHFFFAOYSA-N 338.868 2.423 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 40135223 WJGSYSQYDJVXQJ-FQEVSTJZSA-N 339.483 2.440 30 40 EEEB COc1cc(OC)cc(C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)c1 103503525 MGPHHBVOLSDIKV-QGZVFWFLSA-N 338.363 2.343 30 40 EEEB COC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 102771139 KHKUZNBXTPZGTO-JOZWUWCOSA-N 349.346 2.229 30 40 EEEB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(C#N)c1 58421461 RGWYNRUUAVQGRH-CQSZACIVSA-N 347.440 2.484 30 40 EEEB CN(C(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)C1(C#N)CCC1 95377684 BTKHKIHEGCQJCD-ONEGZZNKSA-N 343.339 2.379 30 40 EEEB C=CCNC(=O)[C@@H]1CCCN1c1ncnc2c1cnn2-c1ccccc1 65410676 PJXFVPVNCQHHLG-INIZCTEOSA-N 348.410 2.087 30 40 EEEB CN(C)c1ccc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 4507196 SBYSOBLGZYOHQM-UHFFFAOYSA-N 329.400 2.252 30 40 EEEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C)nc2)cc1 69513032 XOOOQPBNVVLPNX-UHFFFAOYSA-N 345.424 2.248 30 40 EEEB CN(C)CCNCCC(=O)Nc1sc2c(c1C#N)CCCCC2 22790334 GVIVNMIULIHSAT-UHFFFAOYSA-N 334.489 2.368 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(\O)c2ccccc2OC2CCCC2)cn1 78984561 KEPCUSOYOSNTDE-UHFFFAOYSA-N 349.412 2.435 30 40 EEEB N#CCN(Cc1ccccc1)S(=O)(=O)c1c[nH]c2ncccc12 79354729 BQQZSVUEYDADFO-UHFFFAOYSA-N 326.381 2.277 30 40 EEEB C#C[C@H](NC(=O)Nc1ccccc1C(=O)N1CCOCC1)C(C)(C)C 583650819 CBTPEMIHWOMQIQ-INIZCTEOSA-N 343.427 2.328 30 40 EEEB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(N)=S 3140860 ZUKNGZJFZPKBNY-XDHOZWIPSA-N 342.472 2.338 30 40 EEEB COc1ccc(/C=C/C(=O)[C@H](C#N)C(=O)N2CCCCC2)cc1OC 103502435 OGAYGSLLFMFKSX-VFADXPBXSA-N 342.395 2.438 30 40 EEEB O=C1O[C@H](/C(O)=N/c2nc(-c3ccccn3)n[nH]2)Cc2ccccc21 53526197 BFXJLEPCGZOMKD-ZDUSSCGKSA-N 335.323 2.236 30 40 EEEB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccc(C#N)cc2)[C@@H]1C 3308902 AUBMZDATDBAYQC-CKEIUWERSA-N 344.411 2.421 30 40 EEEB COCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cc(OC)ccc1OC 13464858 RSMYTSSHYREYHL-INIZCTEOSA-N 349.383 2.025 30 40 EEEB N#Cc1cnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc1N 4935429 JTZLPARKKJSFET-UHFFFAOYSA-N 343.456 2.108 30 40 EEEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cc(F)ccc1F 69282614 BUHVLUMCPVHSOT-MWLCHTKSSA-N 349.355 2.194 30 40 EEEB C[C@@H](NC(=O)NCc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C 69348112 CMDMLSPMFXBTMG-ZIAGYGMSSA-N 328.416 2.147 30 40 EEEB CCn1cc(CN2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cn1 69624631 RNPYUIGFEXAPSI-UHFFFAOYSA-N 343.475 2.411 30 40 EEEB COCC[C@@H](C)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 92221974 DXDVKTIQXZPGOG-IUDNXUCKSA-N 346.431 2.367 30 40 EEEB C[S@@](=O)c1cccc(NS(=O)(=O)c2cccc(F)c2C#N)c1 71916109 BGJXLECUKIMYTI-NRFANRHFSA-N 338.385 2.236 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)C#Cc2ccccc2)C1 97372230 ICRIWEODFHBCAB-MRXNPFEDSA-N 328.412 2.411 30 40 EEEB N#Cc1cnn(-c2ccccc2)c1NC[C@@H]1COC2(CCOCC2)O1 585092601 GJSVYHKISDUSFU-MRXNPFEDSA-N 340.383 2.078 30 40 EEEB N#Cc1nccnc1NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 585149372 MCQRTHMAWLYTPJ-UHFFFAOYSA-N 349.320 2.238 30 40 EEEB N#C[C@@H](C(=O)CCc1ccc2c(c1)OCO2)C(=O)Nc1ccccn1 104055738 YTDZLQHSQOHDJE-ZDUSSCGKSA-N 337.335 2.090 30 40 EEEB C#CCOc1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1 78668018 YLRRLDIDXROXKO-UHFFFAOYSA-N 335.425 2.385 30 40 EEEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)c1cn2ccccc2n1 48505181 JIPBMXXLOAXSMA-UHFFFAOYSA-N 340.364 2.041 30 40 EEEB Cc1nc2ccccc2c(=O)n1C[C@@H](O)COc1ccc(C#N)cc1 12943724 LRMQZFZRQPOZBH-OAHLLOKOSA-N 335.363 2.017 30 40 EEEB N#Cc1ccc(S(=O)(=O)NCc2ccccc2CO)c(Cl)c1 96001972 VWYNZCOYYDRQJX-UHFFFAOYSA-N 336.800 2.182 30 40 EEEB C#CCN1CCC(C(=O)N(CC)Cc2cccc3c2OCCO3)CC1 65575291 WSKJBBAVZHBDBG-UHFFFAOYSA-N 342.439 2.152 30 40 EEEB C=CCn1c(SCc2cc(=O)c(O)co2)nnc1-c1ccncc1 7982506 YNKLORSUSDSSIS-UHFFFAOYSA-N 342.380 2.477 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)nc1 71820126 DQISSJBSLPUGCG-UHFFFAOYSA-N 346.434 2.333 30 40 EEEB Cc1nnc(N2CCN(c3ncccc3Cl)CC2)c(C#N)c1C 71827960 KOEWUUJIYDWZOQ-UHFFFAOYSA-N 328.807 2.340 30 40 EEEB C#CCOc1ccccc1CN1CCN(c2nccnc2C#N)C[C@H]1C 91936782 YMSVRJAVDPNREM-MRXNPFEDSA-N 347.422 2.071 30 40 EEEB O[C@H](CN/C(=N/C1CCOCC1)NCc1ccccc1)c1ccco1 95962622 JPCQZPSBQBXCPP-QGZVFWFLSA-N 343.427 2.227 30 40 EEEB N#Cc1cccc(CN2CCC[C@H]2c2nc(-c3cncnc3N)no2)c1 35425991 LFLOBGSQVWGLRZ-HNNXBMFYSA-N 347.382 2.318 30 40 EEEB biogenic,in-vitro C1=CCC(N/C(=N\C[C@H]2CCCCO2)NCc2nc(C3CC3)no2)C1 195564455 YYBAMZZQXXKUGY-OAHLLOKOSA-N 345.447 2.270 30 40 EEEB C=C(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C(C)C)C1 1615587625 ODRQXSSMEFZZKC-HNNXBMFYSA-N 328.420 2.172 30 40 EEEB N#CCCN(CCC#N)C(=O)COC(=O)/C=C/c1cccc(F)c1 22528097 PHRDBMJNLKYNHT-VOTSOKGWSA-N 329.331 2.038 30 40 EEEB CCCCS(=O)(=O)/N=C(\O)[C@H]1COc2cc(OC)ccc2C1 50204944 HFEKLJRRXATYCD-GFCCVEGCSA-N 327.402 2.333 30 40 EEEB O=C1CCCC2=C1[C@@](O)(C(F)(F)F)C(=O)N2Cc1ccccc1 2504189 KKPSSYKVGIGRGH-HNNXBMFYSA-N 325.286 2.329 30 40 EEEB N#Cc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 3603797 GJYKKRMIUVORRU-UHFFFAOYSA-N 338.323 2.225 30 40 EEEB O=C1c2ccccc2C(=O)N1CCO/N=C/c1cccc([N+](=O)[O-])c1 3257108 IOBBIARDNYAXIQ-WOJGMQOQSA-N 339.307 2.242 30 40 EEEB CC(C)=NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 57963416 OOFTZBRSDSKOEK-UHFFFAOYSA-N 326.378 2.187 30 40 EEEB O=S(=O)(/N=C(\O)c1ccc(-c2cnco2)cc1)C1CCOCC1 58184493 DIDNYBWQKQOVRA-UHFFFAOYSA-N 336.369 2.155 30 40 EEEB Cc1ncc2c(n1)CN(CCC(=O)Nc1sccc1C#N)CC2 69490481 CYQAJMOISGIKIC-UHFFFAOYSA-N 327.413 2.105 30 40 EEEB N#C[C@]1(NC(=O)CCCN2C(=O)CCc3ccccc32)CCSC1 69900358 JIJLXIRUBNYTDO-GOSISDBHSA-N 343.452 2.261 30 40 EEEB C=CCNC(=S)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1 34880095 HUVCACXNDTXKDQ-AUWJEWJLSA-N 343.206 2.341 30 40 EEEB N#Cc1ccc(COc2cccc([C@@H]3CC(=O)N=C4NC=NN43)c2)cc1 38185074 BMTCLANNNXRXPH-KRWDZBQOSA-N 345.362 2.313 30 40 EEEB CCCS(=O)(=O)CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 72499343 RSULYQBOPWVGLT-UHFFFAOYSA-N 334.319 2.340 30 40 EEEB COc1cc(C(O)=Nc2cnc(OC)c(C(N)=O)c2)ccc1Cl 330032930 VCJCPGWDFRKSNQ-UHFFFAOYSA-N 335.747 2.487 30 40 EEEB N#Cc1ccnc(N2CCC[C@@H](c3nncn3C3CC3)C2)c1[N+](=O)[O-] 91627498 DDMIWYYXGSRDIN-GFCCVEGCSA-N 339.359 2.172 30 40 EEEB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)C3(C#N)CCCCC3)CCO2)n1 610247839 SYEKAUZQPDYXHW-ZDUSSCGKSA-N 345.447 2.476 30 40 EEEB C=CCNC(=O)N1C[C@@H]2CN(c3ccc(C(C)(C)C)nn3)C[C@@H]2C1 1888865688 MEUANEMXJCJTMO-OKILXGFUSA-N 329.448 2.038 30 40 EEEB C#C[C@](C)(CC)OC[C@H](O)CN1CCN(c2ccccc2F)CC1 12421457 KJIFNSITQOVFSQ-VQIMIIECSA-N 334.435 2.127 30 40 EEEB C=CCOc1ccc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)cc1 23109639 ZIECMXUXRWOXML-DTQAZKPQSA-N 343.452 2.469 30 40 EEEB COC(=O)c1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)cc1 12407544 FMBXAJRZVAYYSF-AWEZNQCLSA-N 340.339 2.442 30 40 EEEB CCCCN/C(C)=C1\C(=O)C(=O)N(CCOC)[C@H]1c1ccccc1 100224851 NBPYTPMJSGEPDO-WAIALKQBSA-N 330.428 2.449 30 40 EEEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H]2CC(=O)N(C(C)C)C2)n1 52779012 WCUURKGBTOCIOX-NSHDSACASA-N 343.387 2.325 30 40 EEEB CCOCCC/N=C(/NCCCOC)NCc1ccc(OC)cc1 58405070 LUGGYWWFFXEAMR-UHFFFAOYSA-N 337.464 2.194 30 40 EEEB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\C(C#N)C#N)cc2)s1 104123283 GKXBMQJMGWJZHZ-MSUUIHNZSA-N 347.385 2.147 30 40 EEEB COc1ccc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc1OC 48597770 YOQBSVCLLLHGSO-UHFFFAOYSA-N 346.364 2.269 30 40 EEEB COc1cccc(C(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 13011835 CYPPGXWQNOVXMV-UHFFFAOYSA-N 349.390 2.165 30 40 EEEB NS(=O)(=O)c1ccc(N/N=C/C2CCCCC2)c([N+](=O)[O-])c1 5019963 MGRWLGOCGURACU-OQLLNIDSSA-N 326.378 2.220 30 40 EEEB C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CSCC1=O 65453481 JTWKUVQPYPKUED-NSHDSACASA-N 335.454 2.410 30 40 EEEB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=S)Nc1ccccc1 15773575 AXGFKEGXFBHFJS-UHFFFAOYSA-N 341.352 2.238 30 40 EEEB CCOc1cccc2c1OC[C@H](C(=O)N[C@@]1(C#N)CCSC1)C2 71883281 WHKZAVBVZCJZAE-CXAGYDPISA-N 332.425 2.152 30 40 EEEB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccccc1C#N 8195502 AALGULDHKHUCRW-UHFFFAOYSA-N 345.380 2.326 30 40 EEEB CN1C[C@H](O)[C@@H]2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)[C@H]2C1 4273415 KOHMZZHVNVAGOM-XKGZKEIXSA-N 340.467 2.437 30 40 EEEB biogenic COC(=O)C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 96453931 VVLXGXMVZBYSRL-LBPRGKRZSA-N 328.290 2.345 30 40 EEEB C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1c(C)noc1C)C2 96229908 QZLKWZKRCWISNH-GOSISDBHSA-N 331.416 2.465 30 40 EEEB COC[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1c1cnn(C)c1 585655481 PHDJWALTVMJLRL-KBPBESRZSA-N 332.354 2.436 30 40 EEEB C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1cc(C)no1 71913624 ULGZNHJHUOJFIA-UHFFFAOYSA-N 344.396 2.401 30 40 EEEB CN(/N=C/c1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21 88959 PFPUSBJUOBQWOR-MHWRWJLKSA-N 344.352 2.010 30 40 EEEB C#CCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 13546549 ZVHHKTFUCHSXCK-QPEQYQDCSA-N 348.336 2.282 30 40 EEEB Cc1nn(CCC(=O)NCc2ccccc2Cl)c(=O)c(C#N)c1C 40480357 WXNXOVOGZQUHKE-UHFFFAOYSA-N 344.802 2.092 30 40 EEEB N#Cc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)cc1 12794235 SZJSQSGPPDAKIM-UHFFFAOYSA-N 326.337 2.075 30 40 EEEB C#CCNC(=O)[C@H](C)N1CCC(Oc2ccccc2OCC)CC1 58218324 QMSOUOZNNGEPIV-HNNXBMFYSA-N 330.428 2.066 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 9470235 FWXQHJDHTPKWGC-VQIMIIECSA-N 328.460 2.252 30 40 EEEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2 16701375 HSJMOXVYDYWJGK-AQTBWJFISA-N 346.408 2.469 30 40 EEEB Cc1ccc(F)cc1S(=O)(=O)N(CCC#N)C[C@@H]1CCOC1 69654485 LIIMQCMNCMQHKJ-ZDUSSCGKSA-N 326.393 2.075 30 40 EEEB N/C(=N\OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1 8878278 LBQAFOIGUNONBX-ZDUSSCGKSA-N 343.408 2.216 30 40 EEEB Cc1nc(C)n([C@H]2CCCN(C(=O)COc3ccc(C#N)cc3)C2)n1 72235193 CPOCHQCNNAPNES-INIZCTEOSA-N 339.399 2.009 30 40 EEEB CCOc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1OC 409361164 QMXOUXBXAZBWHH-UHFFFAOYSA-N 339.351 2.392 30 40 EEEB COc1ccc(N=C(O)N2CCC(N(C)c3cccnn3)CC2)cn1 329272092 AAFTWOAOSJBBDD-UHFFFAOYSA-N 342.403 2.027 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)CC 242649064 RTICLIAEWARKHG-UMVBOHGHSA-N 341.816 2.314 30 40 EEEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc([N+](=O)[O-])c1 13640008 QMQIWMMDZSHAAO-VFZGTOFNSA-N 325.328 2.454 30 40 EEEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)COc2ccccc2)n1 17072361 IGTRGPRJZXKKDP-UHFFFAOYSA-N 348.366 2.168 30 40 EEEB Nc1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cc1 17284213 WVEMQFVVHNUQTB-ISHSQNTASA-N 346.368 2.155 30 40 EEEB C=CCN1C(=S)N(c2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 1236220 ACICRKOLNTYEII-CABCVRRESA-N 336.482 2.062 30 40 EEEB CC(C)n1cc(C#N)c(NS(=O)(=O)c2ccc(F)cc2F)n1 79103062 GYAOGIVLOOZRCZ-UHFFFAOYSA-N 326.328 2.415 30 40 EEEB C[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3343250 FCHDATKDMWJJJB-ZDUSSCGKSA-N 336.413 2.320 30 40 EEEB CC(/C=N\Nc1ccc([N+](=O)[O-])cn1)=N\Nc1ccc([N+](=O)[O-])cn1 104395673 AGVUZXOYZYMXNX-MTDQKMNOSA-N 344.291 2.179 30 40 EEEB COc1cccc(NC(=O)C(C(C)=O)=C2SC(C(=O)O)S2)c1 62716065 WQQCHRDWZLTZDG-UHFFFAOYSA-N 339.394 2.325 30 40 EEEB Cc1cc(F)cc(C(=O)NCCNc2ncccc2C#N)c1[N+](=O)[O-] 89587352 FYGFOMDCVCBGIO-UHFFFAOYSA-N 343.318 2.151 30 40 EEEB N#Cc1cccnc1NCCNC(=O)c1ccc(CN2CCCC2)cc1 69813020 GLSWVTYHMPFEKZ-UHFFFAOYSA-N 349.438 2.391 30 40 EEEB COc1ccc(C(=O)N2CCN(c3nc(C)ccc3C#N)CC2)cc1 89626846 RADVOMSEVKAXSN-UHFFFAOYSA-N 336.395 2.233 30 40 EEEB CCCN(CC#N)C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F 74226499 FGMMXAOGURALGV-UHFFFAOYSA-N 326.393 2.384 30 40 EEEB CC(=O)C(C(=O)Nc1cccc(F)c1)=C1SC(C(=O)O)S1 62716064 HIOUMXOZWZZBED-UHFFFAOYSA-N 327.358 2.456 30 40 EEEB C[C@H]1CC(=O)C2=C(CC[C@]3(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]3O)C1 36378715 CRULJZWXPCYLAC-VBHACAKJSA-N 328.364 2.059 30 40 EEEB biogenic,in-vitro Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(C#N)CO)cc1 225634090 DXSQVZVQDKDNSR-RCCFBDPRSA-N 327.405 2.437 30 40 EEEB O=C(N[C@@H](CO)C(=O)ON=C1CCCCC1)OCc1ccccc1 95869915 RJJIWRIVTBFLRE-HNNXBMFYSA-N 334.372 2.137 30 40 EEEB C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C 585081527 YWMSEFJFERLBHA-DDUZABMNSA-N 344.459 2.333 30 40 EEEB C=CCNC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O 13711859 FCPVUKPBWPQVSN-ZDUSSCGKSA-N 330.837 2.187 30 40 EEEB COc1ccnc(N2CCN(c3nc4ccccc4cc3C#N)CC2)n1 750021400 HINXIGSRWOVSFW-UHFFFAOYSA-N 346.394 2.232 30 40 EEEB CCOc1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc1 84611 QGOFVBUOPUXXLA-GZTJUZNOSA-N 329.381 2.158 30 40 EEEB C#CCN1CCC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)CC1 79050938 JQHQNVMNESKVBL-UHFFFAOYSA-N 339.439 2.180 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1N1CCC(O)CC1 55888105 OJGJWRYDAQOCHK-IBGZPJMESA-N 344.459 2.114 30 40 EEEB C=CCN(CCc1ccccc1)C(=O)CNC(=O)NCc1ccco1 58328265 XHSMJJYVQGRARL-UHFFFAOYSA-N 341.411 2.336 30 40 EEEB COc1ccc(-c2nc(Cn3c(N)nc(C#N)c3C#N)cs2)cc1 12734233 XCQBEPBQMOHLIZ-UHFFFAOYSA-N 336.380 2.389 30 40 EEEB N#Cc1ccc(NCC(=O)NCc2cccc(N3CCCC3=O)c2)cc1 65515242 LQEJMWLEJQZWQB-UHFFFAOYSA-N 348.406 2.413 30 40 EEEB Cc1nc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cs1 65621440 QMBFNEALPZYFRQ-UHFFFAOYSA-N 330.388 2.425 30 40 EEEB CCCCC(=O)N/C(C)=C1/C(=O)c2ccccc2S(=O)(=O)N1C 9341275 XENPECMLAQBUDS-PTNGSMBKSA-N 336.413 2.041 30 40 EEEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(\O)[C@@H]1COc2ccccc21 71905038 LJCKVNJZRWNGNS-WCQYABFASA-N 325.386 2.018 30 40 EEEB N/C(=N/Cc1ccc(Oc2ccc(F)cc2)nc1)N1CCOCC1 95948324 ACGBNOKPMGPYCL-UHFFFAOYSA-N 330.363 2.160 30 40 EEEB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1cc(C#N)ccn1 283739264 IXEMOTFAWFSBRJ-UHFFFAOYSA-N 345.424 2.262 30 40 EEEB COc1cc(C#N)ccc1OCCN1CCC(n2ccnc2)CC1 77285475 DMLJUJMBRDWKGO-UHFFFAOYSA-N 326.400 2.479 30 40 EEEB COc1ccc(OC)c([C@H](C)N/C(=N/C2CC2)NCc2cc[nH]n2)c1 84647522 RVWLKMVFTZJBMQ-LBPRGKRZSA-N 343.431 2.386 30 40 EEEB CC(C)CO[C@@H](C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 44953968 XEGYVVYBIAEFOK-INIZCTEOSA-N 329.444 2.264 30 40 EEEB COC(=O)c1ccccc1CN(C)C(=O)COc1ccccc1C#N 71911414 CLEYFJSLEYWFIO-UHFFFAOYSA-N 338.363 2.382 30 40 EEEB COC(=O)c1cc(C#N)c(N2CCN(c3ccccc3)CC2)nc1C 20219157 VUEMGNHHKSDFQR-UHFFFAOYSA-N 336.395 2.375 30 40 EEEB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N\Cc1ccco1 408528776 WISHMRIACQKGOQ-ODGFMFMFSA-N 345.742 2.403 30 40 EEEB Cn1cc(CNCCC(=O)N2CCCC2)c(-c2ccc(C#N)cc2)n1 195552823 KKTVBHNDBPRFTO-UHFFFAOYSA-N 337.427 2.061 30 40 EEEB C#CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 583651004 DYYAZZVWYLAVQE-CYBMUJFWSA-N 332.350 2.190 30 40 EEEB Cc1nccn1-c1ncccc1NC(=O)COc1ccc(C#N)cc1 47174419 LWABLZMVNKGMQO-UHFFFAOYSA-N 333.351 2.465 30 40 EEEB C=CCN1C(=S)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]21 8059709 ACICRKOLNTYEII-HUUCEWRRSA-N 336.482 2.062 30 40 EEEB O=C1C=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1N2c1ccccc1 102664439 KCUXRZNMROURKA-WNHJNPCNSA-N 344.370 2.189 30 40 EEEB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CC(=O)NC1(C#N)CCCC1 72253603 GBOYBWZRZBEUCK-ZDUSSCGKSA-N 349.866 2.471 30 40 EEEB C=CCNC(=O)c1cn(CCC)cc2c(=O)n(-c3ccccc3)nc1-2 9661498 UMYARWQMPLUXJQ-UHFFFAOYSA-N 336.395 2.465 30 40 EEEB Cc1nn(CC(=O)N2CCC[C@@H]2c2cccs2)c(=O)c(C#N)c1C 27944996 UYDJUHLEACWJMC-CQSZACIVSA-N 342.424 2.157 30 40 EEEB N#CC1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 60990640 CLNBSLFFKWTAAD-UHFFFAOYSA-N 346.406 2.107 30 40 EEEB CCCCCOc1ccc(/C=N/Nc2cn[nH]c(=O)n2)cc1OC 3947303 ULASPUTYCWOUFF-LICLKQGHSA-N 331.376 2.189 30 40 EEEB C=CCN(Cc1nsc(N(C)C)n1)S(=O)(=O)c1cccs1 89721012 DFCGHENSAYUFBZ-UHFFFAOYSA-N 344.487 2.043 30 40 EEEB N#CCCN(c1ccc(F)cc1)S(=O)(=O)C[C@@H]1CCCCO1 76937443 FFXYAFGYWNCETE-HNNXBMFYSA-N 326.393 2.445 30 40 EEEB CCN1CCOC[C@H]1/C(O)=N/C1CCN(c2ccccc2OC)CC1 329393530 SPTZPPNKVSEDFB-KRWDZBQOSA-N 347.459 2.341 30 40 EEEB C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 96414961 LJCCQWIUTCLMON-ZBFHGGJFSA-N 345.418 2.481 30 40 EEEB Cc1nnc([C@H](C)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)s1 252523161 BZKOSIFAHWMOGN-ZMNCSTGQSA-N 339.424 2.253 30 40 EEEB N#Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 42007720 FJZQPGVJODXRIW-UHFFFAOYSA-N 344.392 2.198 30 40 EEEB C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc([N+](=O)[O-])c1 13640004 QMQIWMMDZSHAAO-BJOHPYRUSA-N 325.328 2.454 30 40 EEEB N#C[C@H](C(=O)c1cc(F)cc(F)c1)c1nnnn1-c1ccccc1 16523784 NUFQAXKFPYKVOF-CQSZACIVSA-N 325.278 2.431 30 40 EEEB Cc1ccc(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1 100967379 NJQWAILGBVBJOL-KEBDBYFISA-N 339.326 2.430 30 40 EEEB C=C(C)CSc1nnc2ccc(S(=O)(=O)N(CC)CC)cn12 22069398 GHLAGEZJQVYVOP-UHFFFAOYSA-N 340.474 2.428 30 40 EEEB Cc1cc(CN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)no1 44918704 FENIHHVWDUZUDK-UHFFFAOYSA-N 339.399 2.125 30 40 EEEB Cc1nnc2ccc(N3CCCN(Cc4ccc(C#N)cc4)CC3)nn12 48345641 VCWSXQCIQOYUKX-UHFFFAOYSA-N 347.426 2.017 30 40 EEEB COc1ccc([C@]2(C)NC(=O)N(/N=C/c3cccc(O)c3)C2=O)cc1 20935216 ZBZMQVNBYMNHJP-PYJSORCASA-N 339.351 2.202 30 40 EEEB COC[C@@H](C)/N=C1/NC(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S1 6207659 FMFYNXYKMVUXQX-CHWSQXEVSA-N 349.456 2.255 30 40 EEEB CC/N=C(/NCCc1ccc2c(c1)CCO2)NCCc1ccccn1 95963050 MDEGDXYZPCAKIA-UHFFFAOYSA-N 338.455 2.357 30 40 EEEB CCOC(=O)c1sc(NC(=O)c2cn(C)nc2OC)c(C#N)c1C 36686027 POIIWLVOICJPEK-UHFFFAOYSA-N 348.384 2.099 30 40 EEEB CCOC(=O)c1ccc(/N=C(\N)Nc2ncccc2[N+](=O)[O-])cc1 225243340 MICXQBHDPZLUHT-UHFFFAOYSA-N 329.316 2.225 30 40 EEEB C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 225921229 HUOXGJWPRBOTBO-OAHLLOKOSA-N 336.457 2.006 30 40 EEEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C(N)=O)C1 96417007 VMBAJRQNKFDDNP-JTQLQIEISA-N 342.317 2.218 30 40 EEEB COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(O)cc2)c1 136283 LWXKPLOCJOKSCK-LICLKQGHSA-N 329.381 2.499 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)C#CCO[C@H]2CCCCO2)cc1 1575048 ZWDSETFGRILOIT-INIZCTEOSA-N 337.397 2.187 30 40 EEEB N#Cc1cc([N+](=O)[O-])cn(Cc2coc(-c3cccs3)n2)c1=O 8983312 HHABNSHIDBVBIU-UHFFFAOYSA-N 328.309 2.393 30 40 EEEB Cc1ccnc(N2C[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)n1 1888842769 VMFRWULQSPEQAV-KBPBESRZSA-N 340.818 2.278 30 40 EEEB CN(CC(=O)NC1(C#N)CCCCC1)Cc1ccc2c(c1)OCCO2 32832563 BHGGGGSKBXYBJZ-UHFFFAOYSA-N 343.427 2.232 30 40 EEEB CN(C)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 32927472 BITOYBIUZHABMA-QGZVFWFLSA-N 335.473 2.347 30 40 EEEB O=C(/C=C/NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)F 22877653 OCBPERLPGGXJSS-GJBLVYBDSA-N 346.324 2.434 30 40 EEEB N#Cc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 23386625 DJMOQTLYCVLOPJ-LJQANCHMSA-N 337.423 2.120 30 40 EEEB Cc1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)on1 58174077 KCQIUNAGBFKZDE-UHFFFAOYSA-N 341.415 2.128 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCc1ccccc1 45178696 CUXWKRVQBUOFQJ-UHFFFAOYSA-N 337.423 2.497 30 40 EEEB N#Cc1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9242503 GYSCVRJEYIZXIF-PTNGSMBKSA-N 346.346 2.133 30 40 EEEB C[C@H](NC(=O)CC1CCCCC1)C(=O)N(CCC#N)C1CCOCC1 71889100 PTTAWQAHBVJWKS-HNNXBMFYSA-N 349.475 2.383 30 40 EEEB O=C(C1CCN(CC#Cc2ccc(Cl)cc2)CC1)N1CCOCC1 89780981 FVKACSQWPIGUPT-UHFFFAOYSA-N 346.858 2.262 30 40 EEEB N#C[C@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)cc1 96409513 ZXWLPFIBINWSHR-HNNXBMFYSA-N 327.771 2.451 30 40 EEEB C=CCNC(=O)[C@@H]1C=CCN1S(=O)(=O)c1cccc2ccccc12 12146324 HUDFTMNNDUGKFE-INIZCTEOSA-N 342.420 2.071 30 40 EEEB N#Cc1cccnc1N1CCN(c2nccc(-c3cccnc3)n2)CC1 2086992633 IHUKYEOSVUSGHX-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB N#Cc1ccc2nc(N3CCC(N4CCC[C@@H]4C(N)=O)CC3)ccc2c1 92924223 ODCATCRTLMUXSQ-GOSISDBHSA-N 349.438 2.025 30 40 EEEB N#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 23596702 ZWMNXFUUBLPKEY-INIZCTEOSA-N 341.436 2.423 30 40 EEEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 101329415 KKHJGBIRUSYQPY-QIIPPGSGSA-N 346.358 2.039 30 40 EEEB CC(C)C(=O)NC[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 58264831 LFFQTHDNFFVNDK-KRWDZBQOSA-N 329.444 2.421 30 40 EEEB C#CCOc1cccc([C@H](C)NC(=O)c2c(C)nn(C)c2OC)c1 95395709 OURDZCJOVRKBMM-LBPRGKRZSA-N 327.384 2.240 30 40 EEEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC(N)=O)cc1 15502889 MWKHFHDBSJZIEE-SFHVURJKSA-N 337.379 2.303 30 40 EEEB C#CCCN1CCN(C(=O)c2cc(Br)cn2CC)CC1 83843383 YHDGXYTXUANYLH-UHFFFAOYSA-N 338.249 2.052 30 40 EEEB C=CCNC(=O)N1CCN(c2nc3c(OC)cccc3s2)CC1 36709381 AQWNZJMONBSAIO-UHFFFAOYSA-N 332.429 2.323 30 40 EEEB CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=S)n1C 66625377 YXNZEYCSDRTWAY-CQSZACIVSA-N 345.428 2.069 30 40 EEEB C[C@H]1CN(C(=O)CCNc2snc(Cl)c2C#N)C[C@@H](C)O1 52445513 CLBCJDPCTBJHOC-DTORHVGOSA-N 328.825 2.106 30 40 EEEB CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 76878649 YCAGMWVODQMIDD-PBHICJAKSA-N 333.407 2.207 30 40 EEEB O=C(C[n+]1ccccc1)c1ccc(O)c(I)c1 1666245 MZHRDSKFQVLWPM-UHFFFAOYSA-O 340.140 2.167 30 40 EEEB N#C[C@]1(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCSC1 106754649 WSAITBZDJZLULO-FUHWJXTLSA-N 329.469 2.414 30 40 EEEB N#Cc1cccc(NC(=O)CCN2CCN(c3nccs3)CC2)c1 26342352 CSEOACAFYYRYCK-UHFFFAOYSA-N 341.440 2.166 30 40 EEEB Cc1ccc(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c(=O)[nH]1 62285318 OZFDDILZFKFMJM-UHFFFAOYSA-N 348.362 2.406 30 40 EEEB CNS(=O)(=O)c1ccc(CNc2c(F)cc(C#N)cc2F)cc1 58224967 RSJSMPFTROKHEG-UHFFFAOYSA-N 337.351 2.357 30 40 EEEB CC(C)=NN(CCc1ccccn1)C1=NS(=O)(=O)c2ccccc21 59446064 YOGHNSDHEMIIIT-UHFFFAOYSA-N 342.424 2.471 30 40 EEEB CCOC(=O)N1CCC(/C(O)=N/c2nc(C(F)(F)F)n[nH]2)CC1 37171449 PLPQVEIVVWSQFC-UHFFFAOYSA-N 335.286 2.280 30 40 EEEB Cc1cnn(CCC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 65478519 JFNFMZNACOGBKC-UHFFFAOYSA-N 337.427 2.192 30 40 EEEB Cc1nnc(N2CC[C@@H](CNc3ncccc3C#N)C2)c(C#N)c1C 65475310 KTTUMWUYWQGHEG-AWEZNQCLSA-N 333.399 2.170 30 40 EEEB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cccc(C#N)c1 7248187 FBKYYRWMGXJIQG-CQSZACIVSA-N 344.392 2.019 30 40 EEEB Cc1cc(C)n2nc(CCCNC(=O)N[C@@H](C)C3CC3)c(C#N)c2n1 69558399 MXAPKEQMOODPMX-ZDUSSCGKSA-N 340.431 2.248 30 40 EEEB N#C[C@H](NC(=O)c1[nH]ncc1Br)c1ccc(F)cc1F 72293516 PMJAFGPJWQDVHH-JTQLQIEISA-N 341.115 2.445 30 40 EEEB CC(C)(C)CCS(=O)(=O)/N=C(\O)[C@@H]1CS[C@]2(C)CCC(=O)N12 79036968 JPXFHDSJHBUOJW-IINYFYTJSA-N 348.490 2.163 30 40 EEEB C=CCN(CC=C)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241420 FAASMOJIOSLCGB-IAGOWNOFSA-N 348.830 2.439 30 40 EEEB CN(CCNC(=O)NCc1cccc(C#N)c1)C(=O)OC(C)(C)C 69812206 IUVNPLFZHLBCAO-UHFFFAOYSA-N 332.404 2.224 30 40 EEEB C#CCOc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 250642168 HXUQIKAKBLYFBU-VBQMLQIWSA-N 346.386 2.086 30 40 EEEB N#Cc1cc(F)c(NCCc2ccc(S(N)(=O)=O)cc2)c(F)c1 60196948 CWTOISZNLPXERP-UHFFFAOYSA-N 337.351 2.138 30 40 EEEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 16051759 ZFQSDPPADTWKDI-HJTSIMOOSA-N 344.451 2.443 30 40 EEEB CN(CCC#N)C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 4979509 WVNXSEGAORYUDP-UHFFFAOYSA-N 337.379 2.252 30 40 EEEB C#CCn1/c(=N\C(=O)c2ccnn2C)sc2cc(F)cc(F)c21 101069735 RSUFSLZCTTYVBN-XDJHFCHBSA-N 332.335 2.089 30 40 EEEB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2C#N)C1 78341840 JOWPFQBOMIEUKX-IJLUTSLNSA-N 343.456 2.392 30 40 EEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)[C@@H]2CC=CCC2)c1 54487296 BOGJTSDAWGZHGB-LLVKDONJSA-N 343.426 2.092 30 40 EEEB N#Cc1c(F)cccc1N1CCC[C@@H](C(=O)Nc2nncs2)C1 58341379 GFUNXLWTONRASN-SNVBAGLBSA-N 331.376 2.404 30 40 EEEB Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OCc2ccccc2)cc1 3946851 IUFJJHQIWSNSKX-YBFXNURJSA-N 335.367 2.498 30 40 EEEB C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 5042747 ZWERCYSZBKSWFT-MRXNPFEDSA-N 346.383 2.451 30 40 EEEB CC(=O)c1ccc(-n2c(N)c(C#N)c3c(c2=O)COC(C)(C)C3)cc1 6662865 FFTVXIGUQCPPMO-UHFFFAOYSA-N 337.379 2.345 30 40 EEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc[nH]1 24081613 WAJSCGAPKUICON-MRXNPFEDSA-N 339.395 2.155 30 40 EEEB CCOc1cc(C#N)ccc1OCC(=O)NC1(C(=O)O)CCCCC1 75572151 BFNAAKDCGFBPAK-UHFFFAOYSA-N 346.383 2.239 30 40 EEEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O 409096122 JIFSLOAKRARNII-VIZOYTHASA-N 333.260 2.058 30 40 EEEB C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)C(=C)[C@H]12 72320517 FDLLEBFMOIHMNM-GTACMHHNSA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1cccc(Cl)c1 218336140 ASDRLYUVPXOQNJ-YDHLFZDLSA-N 341.816 2.314 30 40 EEEB COc1cc(/C=C/C(=O)c2ccccc2)c(S(N)(=O)=O)cc1OC 225393701 LJPGSYJYXYXYPM-CMDGGOBGSA-N 347.392 2.247 30 40 EEEB N#Cc1cccc(N2CCC[C@]3(C2)CN(c2ccncn2)CCO3)c1 96074752 HPERJZNGQBWNDI-IBGZPJMESA-N 335.411 2.224 30 40 EEEB COC[C@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242701882 WPIZZNCIYSQCIX-YNEHKIRRSA-N 344.230 2.116 30 40 EEEB C=CCOc1ccccc1C(=O)N[C@H](C)c1nc(C(=O)OCC)n[nH]1 585130824 CXCXPVJTTRKMNN-LLVKDONJSA-N 344.371 2.037 30 40 EEEB N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2ccnn2)C3)cc1 675007580 KFDFOYVVEBLMQT-IRXDYDNUSA-N 335.411 2.477 30 40 EEEB Cc1ccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)cc1 85470658 NVZLVNJPMWXZOG-UHFFFAOYSA-N 342.464 2.409 30 40 EEEB N#Cc1c(COC(=O)c2n[nH]c(=O)c3ccccc23)cn2ccccc12 48300186 BSAXRCDFTJVVTD-UHFFFAOYSA-N 344.330 2.404 30 40 EEEB C=CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1C1CCCCC1 2620448 YJXYVVWMTNFYND-JTQLQIEISA-N 337.449 2.187 30 40 EEEB C=CCN1CCN(c2nc3sc(C)c(C)c3c3ncnn23)CC1 13627800 BUTIPIXLIMTLDL-UHFFFAOYSA-N 328.445 2.264 30 40 EEEB N#Cc1ccc(N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)nc1 96004968 ROCKDCSNMWZFKG-MRXNPFEDSA-N 342.424 2.364 30 40 EEEB C=CCn1cnnc1SCC(=O)NCc1cc(C)c(O)c(C)c1 7813632 XBEDNVZHMVJTME-UHFFFAOYSA-N 332.429 2.195 30 40 EEEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(F)(F)C(F)F)C1=O 69739629 HWHKGQBGRCXHGT-CYBMUJFWSA-N 329.253 2.226 30 40 EEEB COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c(C(N)=O)cnn21 40267542 JMIBRDUNFHNCNZ-MRXNPFEDSA-N 338.367 2.013 30 40 EEEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225636825 QZSAYYAREXRYAD-BZSNNMDCSA-N 343.404 2.137 30 40 EEEB C[C@@H]1C(=O)[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(COC3=O)C(=O)C=CC(C)(C)[C@@H]1C=O 1078028414 NTFGUZQAIRRLSN-KDRRYDSQSA-N 344.407 2.131 30 40 EEEB biogenic N#Cc1ccsc1NC(=O)CN1CCCC[C@H]1Cn1cccn1 69950066 LDIYUEGOXLTVIQ-AWEZNQCLSA-N 329.429 2.309 30 40 EEEB Cc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(C#N)c3)C2)cc1 78814072 LERFWAGHYNYBSK-QGZVFWFLSA-N 348.406 2.200 30 40 EEEB COc1cc(-c2nc(C(=O)NCC#N)c(C)s2)cc(OC)c1OC 11866150 MOXKHMDKTQVUJL-UHFFFAOYSA-N 347.396 2.398 30 40 EEEB CC1(C)OB(c2cncc(NC(=O)NCC(F)(F)F)c2)OC1(C)C 202022487 GKOLZEUCWBWXIV-UHFFFAOYSA-N 345.130 2.065 30 40 EEEB CCOc1ccc(NC(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)cc1 7204442 GEEDAKKYLIKHFO-SNVBAGLBSA-N 343.412 2.448 30 40 EEEB N#Cc1cccc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)n1 2086992630 GMKJIDWWXZRYNU-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB C=CCOc1ccccc1/C=C1\SC(N2CCN(C)CC2)=NC1=O 20440819 SOLXUYNSAWGCLX-SSZFMOIBSA-N 343.452 2.469 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccccc1F 102798795 BZBJEPNZBGTPJF-IDTYTIONSA-N 345.326 2.487 30 40 EEEB O=S1(=O)CC[C@@H](N(/N=C/c2ccccc2O)c2ccccc2)C1 4828538 ZAJJWWFNJCGSHL-YAJBTMAUSA-N 330.409 2.420 30 40 EEEB C=CCOC(=O)[C@H]1[C@H](c2cccc(F)c2)c2c(O)n[nH]c2C[C@]1(C)O 4908717 NWUXBZWNOPUFOF-SIIHOXLZSA-N 346.358 2.039 30 40 EEEB N=C(N/N=C/c1ccco1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 101828351 AWANKLNKBFFQQV-SGPNVBEDSA-N 342.380 2.203 30 40 EEEB CC(C)C[C@](C)(C#N)NC(=O)CSc1nnnn1C1CCCC1 58174758 XKBQPYXOPHSXDA-OAHLLOKOSA-N 336.465 2.325 30 40 EEEB COC(=O)c1sc(NC(=O)COc2ccc(C#N)cc2)nc1C 7705932 XXULKHDCQVCDOH-UHFFFAOYSA-N 331.353 2.127 30 40 EEEB C=CCSCC(=O)Nc1cc(CN2CCN(C)CC2)ccc1OC 69369863 GAPZHOJKTRCXLN-UHFFFAOYSA-N 349.500 2.300 30 40 EEEB N#C[C@@H](c1ccccc1)N1CCN(CCOC[C@@H]2CCCO2)CC1 88524487 USZLDFKMUSEFRN-OALUTQOASA-N 329.444 2.064 30 40 EEEB C#CCOc1ccc(C(=O)N2C[C@H](SC)[C@H](N3CCCC3)C2)cc1 95939739 WYKJHIPRPQLKRP-MSOLQXFVSA-N 344.480 2.350 30 40 EEEB COc1cc(OC)c(OC)cc1/C=N/Nc1ncccc1[N+](=O)[O-] 409093922 BPIDKWYLWHWIST-RQZCQDPDSA-N 332.316 2.462 30 40 EEEB C=CCOc1ccccc1C(=O)N1CC[C@@H](c2cc(O)nc(O)n2)C1 585130473 RHUVADMXAUCVOT-GFCCVEGCSA-N 341.367 2.082 30 40 EEEB CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Cc1ccc(C#N)cc1 598535895 KVVADAXTIJWFLR-SFHVURJKSA-N 341.455 2.203 30 40 EEEB COC(=O)C[C@H]1CN(c2ccc(Br)cc2C#N)CCO1 96501533 DGNYSFOFYLUEDI-LBPRGKRZSA-N 339.189 2.089 30 40 EEEB Cc1ccc(Cn2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1 5152654 QFZHOUMXAQGWIR-UHFFFAOYSA-N 342.358 2.238 30 40 EEEB O=[N+]([O-])c1ccc(N2CCN([C@@H]3/C(=N/O)[C@H]4CC[C@@H]3C4)CC2)cc1 16428107 ZCCKXNDQPASUOS-VOOVJWJJSA-N 330.388 2.346 30 40 EEEB N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 2626057 PEIZBGBCMPMWMG-UHFFFAOYSA-N 341.392 2.225 30 40 EEEB Cc1cccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1 238826135 DUJHQILNAUBGGZ-OAHLLOKOSA-N 343.408 2.104 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)c1 51877486 KTUUPRUQMYZPRU-QGZVFWFLSA-N 344.365 2.087 30 40 EEEB C=CCN1C(=O)N[C@@H]2c3cccc(OCC)c3O[C@@]1(C)[C@H]2C(=O)OC 481115 YGPQEPIZTCXYKS-LBTNJELSSA-N 346.383 2.235 30 40 EEEB Cc1cc(NC(=O)c2csc(-c3cnn(C)c3)n2)n(CCC#N)n1 58282771 PPBGGNNURLUTLT-UHFFFAOYSA-N 341.400 2.215 30 40 EEEB C=CCNC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 58231158 JZSLPRYPCDEOIL-JTQLQIEISA-N 348.428 2.272 30 40 EEEB CCOc1ccc(NC(=S)N/C=C2\C(=O)C=C(C)OC2=O)cc1 104305496 FYFWKWOPAGKLAC-UKTHLTGXSA-N 332.381 2.285 30 40 EEEB Oc1ccc(O)c(/C=N/NC(=S)N[C@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c1 102881367 OFXIRPMFRVBDKI-CZVQQDCASA-N 343.452 2.497 30 40 EEEB CN(C[C@@H](c1cccs1)N1CCOCC1)C[C@H](C#N)CCC#N 72253936 DDCYNTQHYBOVMI-HOTGVXAUSA-N 332.473 2.497 30 40 EEEB C=CCOc1ccccc1/C=c1/s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 8322001 IKRUFLSJOIBCSP-SSZXNVRRSA-N 343.448 2.226 30 40 EEEB Cc1nc(C)n(C[C@@H]2CCCN2CCOc2cccc(C#N)c2)n1 69617165 KNNAPYIOXGHCCB-KRWDZBQOSA-N 325.416 2.310 30 40 EEEB C=CCNC(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 69626369 GUBMNWNFFSUVGX-UHFFFAOYSA-N 338.411 2.486 30 40 EEEB Cc1ncsc1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 95943101 GUGGPLTYXSEBNB-UHFFFAOYSA-N 328.397 2.296 30 40 EEEB Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2O)c(=O)c1C#N 409411115 CJFIOXKQLRWQIP-UHFFFAOYSA-N 331.759 2.335 30 40 EEEB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C=O)cc1 225636726 WELLFUVXPYRHHG-BZSNNMDCSA-N 341.388 2.344 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cc3ccccn3c2)C1 225485794 HFCSGPIJVLZWTH-MRXNPFEDSA-N 347.378 2.285 30 40 EEEB CC(C)(C)CN(CCCO)S(=O)(=O)c1ccc(C#N)cc1F 96483483 QYLPPFBHFBJXEV-UHFFFAOYSA-N 328.409 2.117 30 40 EEEB CN(CCC#N)S(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12 96453009 FXVOZNBFDITDCX-UHFFFAOYSA-N 340.836 2.044 30 40 EEEB CS[C@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 40525065 XJVROKUNOALGRN-GFCCVEGCSA-N 343.456 2.126 30 40 EEEB COC[C@@](C)(C#N)NC(=O)c1cc(OC)c(Br)s1 95443319 KIPMYIDGMRBHGC-LLVKDONJSA-N 333.207 2.178 30 40 EEEB O=[N+]([O-])c1ccc(O)c(/C=N\N=C\c2cc([N+](=O)[O-])ccc2O)c1 5732217 ULNJZDPQMMBRNH-BSHIDLADSA-N 330.256 2.367 30 40 EEEB Cc1nc(C(=O)NCc2cccc(Cn3ccnc3)c2)ccc1C#N 24752907 RFQDHSBZQYVHHZ-UHFFFAOYSA-N 331.379 2.437 30 40 EEEB N#Cc1ccc(N2CCN(c3nccc(-c4ccccn4)n3)CC2)nc1 2086992635 PBENQTFYCXOFPN-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB O=[N+]([O-])c1cc(/C=N\N2CCOCC2)ccc1Sc1ncccn1 33415315 AWVCPLHNCIFHFO-WQRHYEAKSA-N 345.384 2.202 30 40 EEEB CC(C)N1C(=O)N[C@]2(CCN([C@H](C)c3ccc(C#N)cc3)C2)C1=O 107322900 CFYZZHAAPHJWFT-ACJLOTCBSA-N 326.400 2.024 30 40 EEEB CO/C=C(/C)C(=O)N[C@H](S)Nc1cc(Cl)ccc1C(=O)O 2178580 JTLQGCYAWVABAQ-FMFIFOJESA-N 330.793 2.330 30 40 EEEB CCC[C@@H](C#N)NC(=O)Cn1c(S)nnc1-c1ccc(C)cc1 58426227 XHUMPHWPXKBFNG-ZDUSSCGKSA-N 329.429 2.351 30 40 EEEB N#Cc1c(CCCNc2ccc3ncccc3c2[N+](=O)[O-])n[nH]c1N 71899435 CUXUIMKHBKSXTL-UHFFFAOYSA-N 337.343 2.365 30 40 EEEB N#Cc1ccc(Nc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])c1 22136317 MJNSBZSUQHJSMU-UHFFFAOYSA-N 325.328 2.442 30 40 EEEB N#Cc1ccc(CNC[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 78553715 OPHLZNFFCOSBTP-FQEVSTJZSA-N 349.434 2.290 30 40 EEEB O=[N+]([O-])c1cc2oc3c(c2c(/C=N/n2cnnc2)c1O)CCCC3 38178760 PVTMUUSKMMLZMA-NGYBGAFCSA-N 327.300 2.399 30 40 EEEB C#CCN(C)Cc1nc(C2(O)CCN(C(=O)C(C)(C)C)CC2)cs1 225471254 DXWSBWYWQDWBNM-UHFFFAOYSA-N 349.500 2.064 30 40 EEEB biogenic,in-vitro CC[C@@H](C(=O)Nc1nc2cc(C#N)ccc2n1CC)N1CCCC1=O 96487349 FIBBNSFZMYYPPB-AWEZNQCLSA-N 339.399 2.267 30 40 EEEB N#Cc1ccc2c(c1)N(C(=O)CSC[C@H]1CCCCO1)CC(=O)N2 583551183 JHOMVHPXKNSWMH-CYBMUJFWSA-N 345.424 2.146 30 40 EEEB CO[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccc(C)s1 96104848 CCSSJLRFXVGXOJ-CQSZACIVSA-N 343.408 2.371 30 40 EEEB COc1ccc(CN2CCN(c3nnc(C)c(C)c3C#N)CC2)cc1 24054886 RBBNNJUADGAFIJ-UHFFFAOYSA-N 337.427 2.296 30 40 EEEB CN1CCN(S(=O)(=O)c2cccc(C#N)c2)[C@@H](c2ccccc2)C1 13117987 CQLRKHPRACPSLN-GOSISDBHSA-N 341.436 2.236 30 40 EEEB N/C(=N/OCC(=O)N1CCCCCCC1)c1ccc(F)c(F)c1 65205386 KXSBQGJFUKMPIL-UHFFFAOYSA-N 325.359 2.394 30 40 EEEB COc1ccccc1/C=N/Nc1cc(C)nc(N2CCOCC2)n1 4857306 NIQGSAWMLHWKQL-LDADJPATSA-N 327.388 2.076 30 40 EEEB C#CCN1CCC(C(=O)N(c2ccccc2)[C@H](CC)C(=O)OC)CC1 96409917 WDFDNDONOSOQQC-GOSISDBHSA-N 342.439 2.316 30 40 EEEB Cc1noc([C@H](C)N2CCN(Cc3ccc(F)cc3C#N)CC2)n1 69376421 HMSMMPFHOVYJSA-LBPRGKRZSA-N 329.379 2.268 30 40 EEEB C=CCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 8316782 BXHTWOORVPCWCH-UHFFFAOYSA-N 330.837 2.285 30 40 EEEB N#C[C@@H](NC(=O)CNC(=O)NCc1ccco1)c1cccc(Cl)c1 69900615 DTXVRENSYHLKOG-CQSZACIVSA-N 346.774 2.113 30 40 EEEB CN(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 584907848 UPMRUIJBPXFDFY-CQSZACIVSA-N 326.318 2.487 30 40 EEEB CCn1cnc2c(N3CCN(Cc4ccc(C#N)cc4)CC3)ncnc21 299593773 KHSKTSBRTZNSAK-UHFFFAOYSA-N 347.426 2.040 30 40 EEEB N#Cc1cnc(N2CCN(c3ncnc4cc[nH]c34)CC2)c(Cl)c1 1776008287 AFOUOWZNPWEPDY-UHFFFAOYSA-N 339.790 2.205 30 40 EEEB N#Cc1cccc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183912 CJEMEWMWSBAFRK-CYBMUJFWSA-N 334.370 2.427 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 104055825 TXPHNNMDLCPVCC-WFASDCNBSA-N 334.335 2.068 30 40 EEEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccc(F)cc1 4520696 OWWUNWWEYSRQAA-ONENECBXSA-N 331.343 2.081 30 40 EEEB CCOC(=O)c1cnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)nc1C 103900164 UXWOYYZIAPHUBI-REZTVBANSA-N 345.315 2.022 30 40 EEEB N/C(=N\Cc1ccco1)SCCN1C(=O)c2ccccc2C1=O 19672854 WRQDXPOADISEIO-UHFFFAOYSA-N 329.381 2.124 30 40 EEEB CC(C)c1noc([C@@H](C)N2CCN(c3ncccc3C#N)CC2)n1 65589493 OHOSSXVMVBOUNC-CYBMUJFWSA-N 326.404 2.343 30 40 EEEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)c2ccc(C)o2)cc1 69490513 GPKQDDUTRCZVGL-UHFFFAOYSA-N 334.397 2.446 30 40 EEEB O=C1CS/C(=N\N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 33319934 ICQQLPPUDJKJHK-CHHVJCJISA-N 330.325 2.408 30 40 EEEB Cc1cc(C)nc([C@H](C#N)C(=O)[C@H](C)Cc2c(C)nn(C)c2C)n1 76820698 UBKKBVMAGCYFFR-QLJPJBMISA-N 325.416 2.499 30 40 EEEB N#Cc1cnc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 97096862 YFCBSKAIWVKWPV-UHFFFAOYSA-N 344.382 2.033 30 40 EEEB COc1cc(OC)c2c(c1)N(C(=O)Cc1ccc(C#N)nc1)CCC2 600306366 HIEBOPWAPLNSRD-UHFFFAOYSA-N 337.379 2.492 30 40 EEEB N#CC1(NS(=O)(=O)c2c(Cl)cccc2Br)CC1 225753342 RUTHARVBEJEHMJ-UHFFFAOYSA-N 335.610 2.437 30 40 EEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)C[C@H]2C=CCC2)c1 54487356 VFKZAZDJIOZOGX-NSHDSACASA-N 343.426 2.092 30 40 EEEB COc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C#N)cc1 10029229 KGBKLLQWKUERIW-UHFFFAOYSA-N 344.392 2.369 30 40 EEEB CCN1CCN(c2ccc(C(=O)N(C)C[C@H](C)C#N)cc2F)CC1 58268224 XGFCEKGPUMLVEP-CQSZACIVSA-N 332.423 2.199 30 40 EEEB COc1nc(C(=O)NCCNc2ncccc2C#N)cc2ccccc12 58294292 WQAUNYZYAZWIEO-UHFFFAOYSA-N 347.378 2.352 30 40 EEEB O=S(=O)(/N=C(\O)c1ccc2c(c1)OCO2)c1cc(F)ccc1F 46928950 LWZMPIVHELJPGF-UHFFFAOYSA-N 341.291 2.387 30 40 EEEB N#Cc1ccc(CCC(=O)OCc2nnnn2-c2ccccc2)cc1 12959115 PRCCOKACKMTTDO-UHFFFAOYSA-N 333.351 2.210 30 40 EEEB O=C(/N=C1\NCCS1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 9113443 NWPUMQRSRITMHG-UHFFFAOYSA-N 334.401 2.030 30 40 EEEB O=C1C[C@H](/C(O)=N/c2nc(-c3ccccn3)n[nH]2)CN1C1CCCC1 65880225 HUSYPUYMDRWQJH-NSHDSACASA-N 340.387 2.246 30 40 EEEB CCn1cc([C@@H]2OCC[C@H]2CNCc2cc(C#N)n(C)c2C)cn1 83843485 PSYDBKHBZJVLIU-KBXCAEBGSA-N 327.432 2.289 30 40 EEEB C=CCNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 75110478 CMCWOYSDVMDMGV-NEPJUHHUSA-N 327.425 2.232 30 40 EEEB CC[C@H](C#N)S(=O)(=O)NCC#Cc1ccc(C(F)(F)F)cc1 89941829 UNJMWSMGHAUVOW-CYBMUJFWSA-N 330.331 2.278 30 40 EEEB N#Cc1cc(N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)ncn1 521394838 QNENWKYMTCWAPA-LBPRGKRZSA-N 347.300 2.090 30 40 EEEB C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 96414960 LJCCQWIUTCLMON-HOCLYGCPSA-N 345.418 2.481 30 40 EEEB COc1cc(C=O)ccc1OCCC(=O)NCC#C[Si](C)(C)C 585128514 DIBCMLXMKPAGKR-UHFFFAOYSA-N 333.460 2.274 30 40 EEEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCC 37143320 FAXPFZGKDQYFDU-GOSISDBHSA-N 328.368 2.105 30 40 EEEB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1/N=C/c1ccc(N2CCCCC2)o1 5023824 CCHOAHYPJWVDGD-RITOBBMJSA-N 339.395 2.411 30 40 EEEB Cc1cc(CN2CCN(CCOc3cccc(C#N)c3)CC2)no1 51254728 OFIVXBXEIZMZCZ-UHFFFAOYSA-N 326.400 2.051 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(N)=S)cc1 6882919 LMZYTKFNDDSMAK-GIJQJNRQSA-N 341.352 2.426 30 40 EEEB Cc1cc(C)n2nc(CCCNC(=O)N[C@@H](C)C(C)C)c(C#N)c2n1 43069970 HCOWSAPHAJXOLN-AWEZNQCLSA-N 342.447 2.494 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 104379316 RGMWXTCHYDJGMJ-GEZPQTMTSA-N 345.742 2.389 30 40 EEEB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(C#N)cc1 2636473 JNQXEGSSBPCRDK-UHFFFAOYSA-N 327.365 2.471 30 40 EEEB COc1cc(OC)c(C(=O)O/N=C(\N)c2ccccc2)cc1OC 8576455 VJSFPIYLMANHSG-UHFFFAOYSA-N 330.340 2.190 30 40 EEEB biogenic COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 76050995 UZNXZRJAASQFRA-ZBFHGGJFSA-N 345.443 2.134 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(O)/C=C/c2ccccc2)cc1C(N)=O 78989216 AEEFZHKDTXRRQB-CSKARUKUSA-N 344.392 2.453 30 40 EEEB CN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 83538428 WOCBEQFEJGOJAC-SNVBAGLBSA-N 348.346 2.234 30 40 EEEB CC(=O)c1c(C)oc(NC(=O)Cn2c(=O)oc3ccccc32)c1C#N 95482156 DZKXYLKXXQQSCI-UHFFFAOYSA-N 339.307 2.209 30 40 EEEB COC[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O 242701881 WPIZZNCIYSQCIX-JHJVBQTASA-N 344.230 2.116 30 40 EEEB CC(=O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 253532654 JZEZLAAJRKPOFM-HNFNDTRDSA-N 346.467 2.377 30 40 EEEB biogenic,in-vitro N#Cc1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 44976823 LLKAZSAYQYAINC-WMLDXEAASA-N 330.388 2.379 30 40 EEEB C#CCNC(=O)CNC(=O)c1c(-n2c(C)ccc2C)sc(C)c1C 50666643 SDEZFKLXJQHKOZ-UHFFFAOYSA-N 343.452 2.252 30 40 EEEB Cc1ccc(C(=O)N2CCN(c3nnc(C)c(C)c3C#N)CC2)s1 54838685 OMVGMUPVTXNWMG-UHFFFAOYSA-N 341.440 2.297 30 40 EEEB C#Cc1cccc(NS(=O)(=O)c2cc(CC(=O)O)ccc2OC)c1 48354319 WLNWLASYPZRCQJ-UHFFFAOYSA-N 345.376 2.104 30 40 EEEB N#CCCn1ncc2c(Nc3cccc(Cn4cncn4)c3)ncnc21 97200350 AIBCKNIDFXFFFK-UHFFFAOYSA-N 345.370 2.123 30 40 EEEB CC(C)c1nc(CN2CC[C@@H](CNc3ccc(C#N)cn3)C2)no1 65531046 GBPXGEKZAFSULR-AWEZNQCLSA-N 326.404 2.394 30 40 EEEB Cc1ccccc1OCC(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4550771 QCLWGXDJLQAUFL-UHFFFAOYSA-N 329.312 2.146 30 40 EEEB C[C@@H](c1cccnc1)N1C(=O)C[C@H](N(C)Cc2ccc(C#N)cc2)C1=O 66584454 BCPYPJCFCJSFSD-KSSFIOAISA-N 348.406 2.274 30 40 EEEB CC/N=C(/NCc1ncnn1C)N1CC[C@H](c2ccccc2)[C@H](C)C1 225511482 NASMNKYFWGLAII-WBVHZDCISA-N 340.475 2.406 30 40 EEEB N#Cc1cccnc1OC1CCN(S(=O)(=O)c2cccs2)CC1 96102888 YHKIHMLMRCQMQJ-UHFFFAOYSA-N 349.437 2.247 30 40 EEEB N#Cc1csc(CNc2cccc(CN3C(=O)CNC3=O)c2)c1 96482736 LLTZHGHHMLPCSV-UHFFFAOYSA-N 326.381 2.284 30 40 EEEB O/C(CSc1nc(O)cc(-c2ccccc2)n1)=N\c1ncn[nH]1 96919018 VACVAKLSXQEIDZ-UHFFFAOYSA-N 328.357 2.348 30 40 EEEB CCOc1cc(CNC(=O)NCc2cc(C#N)ccc2F)ccn1 76084851 DYSFNUYCRIPVIU-UHFFFAOYSA-N 328.347 2.490 30 40 EEEB N#Cc1ccc(CS(=O)(=O)N2CCc3cc(C(=O)O)ccc32)cc1 13269311 ZIMSGRKYXPQZKD-UHFFFAOYSA-N 342.376 2.149 30 40 EEEB N#CCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 24002255 ZRXRYQRZFPATGI-UHFFFAOYSA-N 348.255 2.213 30 40 EEEB CCOc1ccccc1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 409370664 BTYUAKRAUBJTJM-XMLKZPBRSA-N 336.391 2.472 30 40 EEEB N#Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(F)cc1F 6942927 LHPNBNFESPRQID-UHFFFAOYSA-N 346.289 2.397 30 40 EEEB C=CCNC(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 7785108 IJTGGIVDTBEODM-UHFFFAOYSA-N 338.820 2.431 30 40 EEEB C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(C#N)cc1 68652272 LXPNSNWQBLOREL-SNVBAGLBSA-N 334.335 2.325 30 40 EEEB Cc1cc(F)cc2c(NCCN3CCCS3(=O)=O)c(C#N)cnc12 96429305 JZBVNSRHVLXGIP-UHFFFAOYSA-N 348.403 2.001 30 40 EEEB C#CCOc1ccc(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cc1 76082733 VXCDLCCRDAYXMR-QGZVFWFLSA-N 331.318 2.440 30 40 EEEB Cn1cncc1-c1nnc([C@H]2CCN(Cc3cccc(C#N)c3)C2)o1 49170444 HQWDFPNJDCXDNF-HNNXBMFYSA-N 334.383 2.331 30 40 EEEB biogenic,in-vitro CC/N=C(\NCC)NCc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 66243295 HKTFKFQPYXEVOP-IYBDPMFKSA-N 332.492 2.371 30 40 EEEB Cc1ncc(/C(O)=N/S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 78445762 XCDGEHVKTCLQQY-UHFFFAOYSA-N 341.370 2.194 30 40 EEEB N#CCCN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 78526417 CJTMRPDVKLQKNH-UHFFFAOYSA-N 342.226 2.430 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2C#N)C1 199557717 MMTYLZQASTUIRB-CYBMUJFWSA-N 336.413 2.341 30 40 EEEB Cc1nccc(N/C(O)=N/C2CCN(Cc3ccncc3)CC2)n1 330144199 ZKGZSXVNODOMOB-UHFFFAOYSA-N 326.404 2.171 30 40 EEEB C#C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 583651398 MMLYTIKMADFPEV-OLZOCXBDSA-N 332.350 2.190 30 40 EEEB C[C@@H](Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)NC(N)=O 69493712 CDORGBZEMJZSTF-GFCCVEGCSA-N 338.367 2.133 30 40 EEEB C/C(=N/N=C(\S)N1CCN(c2ccccn2)CC1)c1ccccn1 5830988 DMHZABFBJXEDGZ-ZHZULCJRSA-N 340.456 2.309 30 40 EEEB N#Cc1ccc(C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1 1775966127 RVBACQRGAWHMQV-UHFFFAOYSA-N 348.406 2.470 30 40 EEEB C#CCn1/c(=N\C(=O)c2cc(C)no2)sc2cc3c(cc21)OCO3 101135191 FFALXJMMNROTCJ-WUKNDPDISA-N 341.348 2.102 30 40 EEEB CC[C@H](C)c1ccccc1N1C[C@H](/C(O)=N/S(C)(=O)=O)CC1=O 40129813 VBZIUKPCOKFUGD-NWDGAFQWSA-N 338.429 2.469 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCc2ccco2)CC1 40512073 ZPSZHBKBIIRCQV-UHFFFAOYSA-N 340.383 2.298 30 40 EEEB N#Cc1ccc(OCC(=O)Nc2ccn(CCc3ccccn3)n2)cc1 51417813 MTIWUZUVNQUWKU-UHFFFAOYSA-N 347.378 2.410 30 40 EEEB C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)N1c2ccccc2C[C@H]1C 12609974 JDDXWBXZOYDQLI-GHMZBOCLSA-N 339.424 2.389 30 40 EEEB N#Cc1ccc(CNCCS(=O)(=O)N2CCc3ccccc32)cc1 58308701 KTTCCACLZSFHBA-UHFFFAOYSA-N 341.436 2.040 30 40 EEEB N#Cc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 60102971 MUJCDWROJPVTBD-UHFFFAOYSA-N 338.411 2.276 30 40 EEEB C=CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 11985386 RRQUKZVHXIVJFI-UHFFFAOYSA-N 335.477 2.244 30 40 EEEB Cc1cc(C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] 13957034 YANLTAMNSDDVBY-UHFFFAOYSA-N 344.283 2.289 30 40 EEEB COc1ccc(CNC[C@@H]2CCCN(c3ncccn3)C2)cc1C#N 94012751 CBISSSWRMHGYLN-INIZCTEOSA-N 337.427 2.363 30 40 EEEB Cc1ccc(S(=O)(=O)NCC/N=C(/N)Nc2cccc(C)c2)cc1 69528932 PGQQHLQTOIUZHL-UHFFFAOYSA-N 346.456 2.009 30 40 EEEB C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CC2CCC2)c1 74724984 IHEAVGDXMMPCML-UHFFFAOYSA-N 340.423 2.050 30 40 EEEB Cc1ccc(C(=O)Nc2nnc(SCC(=O)NO)s2)cc1C 75172964 BHOGQLFTODBFQL-UHFFFAOYSA-N 338.414 2.005 30 40 EEEB CC(=O)N1C[C@@H](Nc2ccc(C)c(C#N)n2)CC[C@H]1C(F)(F)F 583616724 JESJFUAZWIWYRQ-AAEUAGOBSA-N 326.322 2.615 30 40 EEEB Cc1noc([C@H]2CN(Cc3cn4ccccc4c3C#N)C[C@@H](C)O2)n1 599608683 ACXAKUVZAXWFHK-SJKOYZFVSA-N 337.383 2.464 30 40 EEEB N/C(=N\OCC(=O)NC1CCCC1)c1cc(Br)cs1 48640192 LXKSSQDJANNFJS-UHFFFAOYSA-N 346.250 2.206 30 40 EEEB C/N=C(/NCCc1cnn(C)c1)NCC1(Sc2ccccc2)CC1 97010926 XBZQINQSHNTPIM-UHFFFAOYSA-N 343.500 2.453 30 40 EEEB CC(C)(C)c1ccc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1 13547918 JFDDJSKMDIURAZ-AXIYWZQUSA-N 333.413 2.380 30 40 EEEB COc1ccccc1OCCOc1ccc(/C=N/NC(N)=S)cc1 2713080 MZOARDOIZGWBDZ-XDHOZWIPSA-N 345.424 2.320 30 40 EEEB COc1ccc(Cl)cc1C(=O)OCC(=O)NC1(C#N)CCCC1 4581048 FDMYDNDRCKMGDU-UHFFFAOYSA-N 336.775 2.458 30 40 EEEB C#CCNC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 40549788 DNVAGVFQZQVDLL-UHFFFAOYSA-N 336.317 2.195 30 40 EEEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)ccc1O 12349113 KXQMUFZHQQNREE-OAHLLOKOSA-N 341.371 2.045 30 40 EEEB COc1ccc(N/N=C2\N=C(c3ccccc3)OC2=O)c(OC)c1 12420026 UEIWMOVKZRMTDL-HKWRFOASSA-N 325.324 2.433 30 40 EEEB N#Cc1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc1 44978870 UYUWNKPRGUNQNW-INIZCTEOSA-N 335.411 2.267 30 40 EEEB C=CCNC(=O)CSc1nnnn1-c1cccc(C(F)(F)F)c1 5016340 HDWTYKBPQLHJJZ-UHFFFAOYSA-N 343.334 2.075 30 40 EEEB C=CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 5438672 CIBPXROZRYNFHF-UHFFFAOYSA-N 328.821 2.186 30 40 EEEB CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc(C#N)cc2)o1 96428290 LQNAVQPOOLPJJU-HNNXBMFYSA-N 334.397 2.380 30 40 EEEB Cc1nc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)ccc1C#N 81655944 JHAUWPBMRCIDEX-MRXNPFEDSA-N 329.400 2.062 30 40 EEEB CN(CC1CCOCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 97048537 LQZWTWAQEUPKME-SFHVURJKSA-N 327.428 2.412 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2C#N)C1=O 408526464 BFIZIJUACJNPGB-AWEZNQCLSA-N 346.346 2.468 30 40 EEEB COC(=O)c1ccc(/N=C/c2ccc(OCC(N)=O)cc2)c(C)c1 408962325 HJWLORXWDIEGJH-KEBDBYFISA-N 326.352 2.396 30 40 EEEB Cc1csc(=O)n1CCC(=O)OCCOc1ccc(C#N)cc1 17153650 MJPIDDFBJFFOEY-UHFFFAOYSA-N 332.381 2.102 30 40 EEEB C=CCN(c1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccccc1 224367494 SELUJBMDDBVJIQ-UHFFFAOYSA-N 330.409 2.428 30 40 EEEB CN1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1C(C)(C)C 585127207 SSDHIKYWZGNPOG-ZWKOTPCHSA-N 338.455 2.429 30 40 EEEB CCS(=O)(=O)CC/C(N)=N/OCc1ccccc1C(F)(F)F 69696398 PSPLPNVIWXQXQS-UHFFFAOYSA-N 338.351 2.319 30 40 EEEB N#CC[C@]1(O)CCN(C(=O)NCCCn2ccc3ccccc32)C1 591891299 OBJKSWGFQFISBA-SFHVURJKSA-N 326.400 2.091 30 40 EEEB CNC(=O)Cc1ccc(N[C@H](C)C(=O)Nc2sccc2C#N)cc1 40497385 QGMGOJOPBFUWCT-LLVKDONJSA-N 342.424 2.347 30 40 EEEB CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C#N)CCC3)CC1 6670035 LIFJJLTZCNDPLF-UHFFFAOYSA-N 348.428 2.414 30 40 EEEB CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(C#N)cn1 12764526 BOSOFRSIMZSLIX-UHFFFAOYSA-N 344.440 2.393 30 40 EEEB CN1C(=O)N(CC(=O)Nc2ccc(C#N)cc2)C(=O)C12CCCCC2 6006493 SFWFHHXMDOTQOQ-UHFFFAOYSA-N 340.383 2.094 30 40 EEEB Cc1cccc(C)c1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 6809467 GMPUTFHZURGUAV-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB CS(=O)(=O)Cc1cccc(C(=O)OCc2ccccc2C#N)c1 7535664 IXYFUFLBRPQZRG-UHFFFAOYSA-N 329.377 2.460 30 40 EEEB N#Cc1nc(-c2ccco2)oc1N1CCN(CC2CCOCC2)CC1 69662145 KOPAIQNEBKKBRZ-UHFFFAOYSA-N 342.399 2.355 30 40 EEEB Cc1noc([C@H](C)N2CCN(CCOc3ccc(C#N)cc3)CC2)n1 69652656 LQDSUNCPCZEPQF-AWEZNQCLSA-N 341.415 2.007 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2cccc(-c3ncn[nH]3)c2)c1 69702473 WSLGRWZTKKWXCU-UHFFFAOYSA-N 325.353 2.144 30 40 EEEB CCOc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N/C)N(C)C2=O)c1O 408859320 VSZWEVKIWDELGJ-DBLDUACQSA-N 337.357 2.231 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 73232200 LOFLBDWBXSHFBA-GOSISDBHSA-N 328.460 2.054 30 40 EEEB Cc1ccc2occ(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c(=O)c2c1 16348236 OSEQKJAITJZJAM-JOGOAOATSA-N 348.358 2.242 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 4113714 KFPYQGUSASACNJ-OAHLLOKOSA-N 332.356 2.061 30 40 EEEB CN(C)[C@H](CNC(=O)COc1ccccc1C#N)c1cccc(F)c1 32732320 JMLVOUOQROPLLL-QGZVFWFLSA-N 341.386 2.495 30 40 EEEB CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1cccc(C#N)c1 52580440 OARLPGDRBKALTH-ROUUACIJSA-N 327.428 2.160 30 40 EEEB Cn1ccnc1[C@@](O)(CC(=O)Nc1cccc(C#N)c1)C(F)(F)F 44896080 IWTAGPIRKFLJJL-AWEZNQCLSA-N 338.289 2.070 30 40 EEEB CCn1c(CNS(=O)(=O)c2cccc(C#N)c2)nc2ccccc21 61035972 OEWDHBOLLQRZAF-UHFFFAOYSA-N 340.408 2.406 30 40 EEEB COc1ccc(/C(N)=N/OC(=O)c2ccc(OC)cc2OC)cc1 4723523 PLDKWYQHEGRGFF-UHFFFAOYSA-N 330.340 2.190 30 40 EEEB N#CC1(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCCCC1 97086396 VRPGTYBUNNBAAM-OAHLLOKOSA-N 326.400 2.167 30 40 EEEB CC(C)(C)OC(=O)N1Cc2ccc(CCOS(C)(=O)=O)cc2C1 309985093 XCWYGKRGELBDGI-UHFFFAOYSA-N 341.429 2.456 30 40 EEEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(c2cc[nH]n2)CC1 58265342 CBTFCQWWTDAXQN-CQSZACIVSA-N 329.448 2.320 30 40 EEEB O=C1C=C2CN([C@@H](C(=O)C3CC3)c3ccccc3F)CC[C@@]2(O)S1 95935647 OHANBBNBMKFHBI-SJLPKXTDSA-N 347.411 2.440 30 40 EEEB in-vitro CCN1CCN(c2oc(COc3ccc(OC)cc3)nc2C#N)CC1 26580387 XZCFYTAHIAZEMJ-UHFFFAOYSA-N 342.399 2.276 30 40 EEEB COc1cccc2cc(CNCCCc3n[nH]c(N)c3C#N)oc12 48234571 VJOFGMIGYXHDBV-UHFFFAOYSA-N 325.372 2.341 30 40 EEEB CC[C@@H](c1nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)o1)N(C)C 3332122 DMDJTTAZDUTRCJ-NHYWBVRUSA-N 339.465 2.229 30 40 EEEB CNC(=S)N/N=C(\C)c1ccc(S(=O)(=O)C2CCCC2)cc1 96035544 RYFNWLCBBKEYLQ-GZTJUZNOSA-N 339.486 2.221 30 40 EEEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1C 5152679 KMGKYDMQPCVWOS-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(F)c1C#N 72275276 OETFLSXOZSGEIL-UHFFFAOYSA-N 338.346 2.323 30 40 EEEB COC[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O 218190045 WPIZZNCIYSQCIX-FRRDWIJNSA-N 344.230 2.116 30 40 EEEB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(N(C)C)ccc1C#N 79072974 LKEZCMLIXABIEA-RYUDHWBXSA-N 331.420 2.049 30 40 EEEB Cc1nc(C#N)c(C#N)n1CC(=O)N(C)[C@H]1CCCc2ccccc21 155311347 WAWQKYZWOTVVMY-KRWDZBQOSA-N 333.395 2.471 30 40 EEEB C=CCN1CCOC[C@]2(C1)CN(Cc1ccc(F)c(F)c1)CCO2 2055816091 XJHSXLGVUPBEDP-SFHVURJKSA-N 338.398 2.054 30 40 EEEB N#Cc1c(NCCCNC(=O)c2cccc(O)c2)nc2ccccn12 97082454 DQTBYJOWWVPOTH-UHFFFAOYSA-N 335.367 2.144 30 40 EEEB C[C@@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 97037700 DFOIGDNYLHOROU-OLZOCXBDSA-N 345.447 2.225 30 40 EEEB N#Cc1cccnc1N[C@H](C(N)=O)c1cccc(Br)c1 58554056 CIOWJKFDKMRZQZ-LBPRGKRZSA-N 331.173 2.354 30 40 EEEB C#CCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1OCCc2ccccc21 72230271 MNFVRDUYUAYVNU-RTBURBONSA-N 326.440 2.247 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCO[C@H]2CCCC[C@H]21 46493961 QUKDSZASHNFPJF-CABCVRRESA-N 330.384 2.116 30 40 EEEB CCn1cnnc1SCC(=O)N(CCC#N)c1ccc(F)cc1 12928706 GMWXSKIBGWCBNE-UHFFFAOYSA-N 333.392 2.476 30 40 EEEB C[C@H]1Oc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2NC1=O 8014376 RVGSPBZZAGZQNC-LLVKDONJSA-N 337.335 2.295 30 40 EEEB C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(N(C)C)CC1 95430159 TUPJDBQXWCCPDB-MRXNPFEDSA-N 328.460 2.348 30 40 EEEB C=CCNc1ncc(C(=O)NC[C@]2(O)CCc3ccccc32)s1 95434913 XUCXNAULFWIGDE-QGZVFWFLSA-N 329.425 2.305 30 40 EEEB CC/N=C(\NCC)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 66244144 SMUDSGWFKHTAGI-HOTGVXAUSA-N 332.492 2.371 30 40 EEEB CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(c2ccccc2)C1 408564149 VDDUBEXATOULSR-IBGZPJMESA-N 335.363 2.391 30 40 EEEB CC(C)c1nc(NS(=O)(=O)c2cccc(Cl)c2C#N)n(C)n1 73314215 BQVFRUBWAOENPZ-UHFFFAOYSA-N 339.808 2.264 30 40 EEEB Cc1nc(C)c(CC/C(O)=N/C[C@H](C)N2CCCCC2=O)c(O)n1 330031653 BZGTVKNFALPPBI-NSHDSACASA-N 334.420 2.089 30 40 EEEB N#Cc1ccc(NC(=O)N2CCO[C@@H](CCc3ccccc3)C2)nc1 585135358 DKEURVMQONMZAL-KRWDZBQOSA-N 336.395 2.819 30 40 EEEB COc1cccc(N2CCN(c3nc(SC)ncc3C#N)CC2)c1 1889122608 DRDOUFPEDNUSMA-UHFFFAOYSA-N 341.440 2.405 30 40 EEEB O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(O)n[nH]c1N2 12347315 PMMFXJFYXXOESY-ZDUSSCGKSA-N 325.324 2.409 30 40 EEEB CC(C)(C)OC(=O)NCCC(=O)[C@@H](C#N)C(=O)NC1CCCCC1 50682026 VNJVINIAJXMSCY-CYBMUJFWSA-N 337.420 2.059 30 40 EEEB COC(=O)c1ccc(COc2ccc(/C=N/NC(N)=S)cc2)cc1 523577 HBZSYHNATHKFLH-VXLYETTFSA-N 343.408 2.219 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 106869891 RHQQLCMXOXXSOP-KWBADKCTSA-N 338.816 2.453 30 40 EEEB CCOC(=O)C1(NC(=O)C#Cc2ccc3c(c2)OCO3)CCCCC1 84791222 PEVYBTYVRYRFSQ-UHFFFAOYSA-N 343.379 2.149 30 40 EEEB O/C(=N\c1nc(C(F)(F)F)n[nH]1)[C@@H]1CCCN(c2cnccn2)C1 37171562 KIGKXHFDUVSBJG-MRVPVSSYSA-N 341.297 2.118 30 40 EEEB CCN(Cc1ccc(C#N)cc1F)C(=O)N[C@H](C)c1nncn1C 46963550 GLYMTAMLPPVYCC-LLVKDONJSA-N 330.367 2.119 30 40 EEEB CCOc1cc2c(cc1/C=C/C(O)=N/S(C)(=O)=O)O[C@H](C)C2 48479810 JKIMXCDVLPNTCX-BRAIEQGRSA-N 325.386 2.338 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cnn(-c3ccccc3)n2)cc1 48421503 QRBROWYABYMUBN-UHFFFAOYSA-N 342.380 2.269 30 40 EEEB Cc1c(C#N)c(NC(=O)CN2CCOCC2)n(-c2ccccc2)c1C 12989865 ZHVJDXWGRXNHMS-UHFFFAOYSA-N 338.411 2.237 30 40 EEEB C=CCN1C(=O)CS/C1=N\S(=O)(=O)c1ccc(Cl)cc1 13150258 BZRKWCUOVDGIPG-OWBHPGMISA-N 330.818 2.146 30 40 EEEB C#CCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2OC)C1=O 13939728 OGFYOSPAKOYIGY-ZSOIEALJSA-N 333.365 2.382 30 40 EEEB N#Cc1c(CCCNC(=O)N[C@H](c2ccccc2)C2CC2)n[nH]c1N 65591542 QHYXHMMUUKHGSF-MRXNPFEDSA-N 338.415 2.247 30 40 EEEB N#Cc1ccc(OCCCN2CCCC[C@H]2Cn2cncn2)cc1 69659248 RXSHIJPWQNRXLU-KRWDZBQOSA-N 325.416 2.473 30 40 EEEB COc1cc(C(C)=O)ccc1OCC(=O)N(C[C@H](C)C#N)C1CC1 89895851 YBNLFDRBQKRSAJ-GFCCVEGCSA-N 330.384 2.427 30 40 EEEB Cc1nc2cc(C(=O)OCCNc3ncccc3C#N)ccc2n1C 97374887 YGYHUKJHJQOMFW-UHFFFAOYSA-N 335.367 2.417 30 40 EEEB Cc1nsc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1C#N 591165283 QDGAFNCVDCMHRL-VIFPVBQESA-N 333.442 2.131 30 40 EEEB N#CCc1cccc(C(=O)NCC[S@@](=O)Cc2ccccc2)c1 75136868 LZBSTNAXHWTQQC-QHCPKHFHSA-N 326.421 2.431 30 40 EEEB N#Cc1cnn(CCN2CCC[C@H](c3cc(C(F)(F)F)[nH]n3)C2)c1 76059644 LODPCFDWQNBWGH-LBPRGKRZSA-N 338.337 2.376 30 40 EEEB COc1cc(/C=N/n2nnnc2Nc2ccccc2)cc(OC)c1O 28003 UCOPXKREBQDDMA-LICLKQGHSA-N 340.343 2.022 30 40 EEEB CCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2F)S1 5870202 AJQNWDDPQDOCFY-NSHDSACASA-N 327.356 2.291 30 40 EEEB Cc1ccnc(N2C[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)n1 1888842771 VMFRWULQSPEQAV-ZIAGYGMSSA-N 340.818 2.278 30 40 EEEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)c1ccc2c(c1)COC2 50204805 RLCADDPLFRLOHY-UHFFFAOYSA-N 342.376 2.423 30 40 EEEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cc(OC)cc(OC)c1 8300636 SDRGEMKIXHLRFZ-OFQRWUPVSA-N 343.427 2.169 30 40 EEEB biogenic,in-vitro N#Cc1cccc(CN2CCC3(CC(NC(=O)c4cnccn4)C3)C2)c1 108528733 SJSQJOKOIUEETR-UHFFFAOYSA-N 347.422 2.133 30 40 EEEB CC/N=C1\S[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CC 13479713 MDFPOSVOUYLSKV-VLUKHXRESA-N 335.429 2.364 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)c(OCC)c1 6354933 ZEHULFQJBGLOSZ-OAHLLOKOSA-N 348.424 2.313 30 40 EEEB COC(=O)c1ccc([C@@H]2NC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 5783079 FEFTUAOLZHNWSJ-HNNXBMFYSA-N 328.368 2.470 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(\O)c2cc(C#N)cn2C)c(C)c1C 83769580 QUFVSNLYRLZEFS-UHFFFAOYSA-N 347.396 2.216 30 40 EEEB C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)COc1ccccc1C#N 69652735 ABRNJKQDBZQOQK-CYBMUJFWSA-N 347.415 2.309 30 40 EEEB COc1cccc(N/C(N)=N/CCC(=O)N(C)Cc2ccccc2)c1 72272559 ZLSCYUUKNXBMBC-UHFFFAOYSA-N 340.427 2.471 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 95964943 DMLDKZSQEVIAJL-HIFRSBDPSA-N 342.447 2.101 30 40 EEEB C#C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)[C@H]1CCCO1 521393990 UUVFSPIBQYZROS-GDBMZVCRSA-N 338.411 2.065 30 40 EEEB COC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1 224669009 NJTDHYFFNBZXNO-UHFFFAOYSA-N 344.392 2.121 30 40 EEEB C=CCN1C[C@@H]2CN(C(=O)[C@H]3CCCO3)CC[C@@]2(c2ccccc2)C1 248170349 RPRCGOWIULOATA-SBHAEUEKSA-N 340.467 2.454 30 40 EEEB C=CCNC(=S)N/N=C\c1cc(Br)c(O)c(OC)c1 16195005 CAAHWNCPXOWYLT-CHHVJCJISA-N 344.234 2.147 30 40 EEEB N#Cc1cccc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c1 15981742 IOVMPHYDAIBMHY-UHFFFAOYSA-N 347.330 2.195 30 40 EEEB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCCO 9486114 ALFGOPVPBUKYFI-UHFFFAOYSA-N 349.843 2.358 30 40 EEEB CC[C@H](CCO)CNc1ccc(C#N)cc1S(=O)(=O)NC(C)C 97102721 FWKKPXQTSNQMRT-CYBMUJFWSA-N 339.461 2.065 30 40 EEEB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1cccc(C#N)c1 48364946 KCYCPDXWEPNEQJ-XIRDDKMYSA-N 341.411 2.303 30 40 EEEB C=C(C)CN(CC)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 65516838 GUWDXXIZRFOCPM-AWEZNQCLSA-N 329.400 2.268 30 40 EEEB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/N1CCN(C)CC1 6673208 JEZYUOLPMTUOAA-XDHOZWIPSA-N 331.851 2.475 30 40 EEEB COc1cc(/C=N/Nc2nc3ccccc3n3cnnc23)ccc1O 4793770 FFNZTSJHQQBFLS-GIJQJNRQSA-N 334.339 2.438 30 40 EEEB CCCCn1c(SCC(=O)Nc2sccc2C#N)n[nH]c1=O 7345023 BHYCQELYJSYRTK-UHFFFAOYSA-N 337.430 2.035 30 40 EEEB C[C@H]1CN=C(N2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)S1 73117804 JSFZBWWERFAPOW-UZYOAWRESA-N 340.452 2.207 30 40 EEEB CN(C)CCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1C#N 89314312 AOOCYYSEBMWMOH-UHFFFAOYSA-N 347.415 2.454 30 40 EEEB COCCn1c(C#N)cc(N)c1N1CCN(c2ccc(F)cc2)CC1 225871119 GNNHKGFMKLWEAT-UHFFFAOYSA-N 343.406 2.054 30 40 EEEB C=CCN1C(=O)/C(=C/c2ccc(OC(C)C)cc2)C(=O)NC1=S 225228937 HGKDSGZBXXJWMS-GXDHUFHOSA-N 330.409 2.287 30 40 EEEB CN1CCCC[C@H]1CCN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 69150398 ISPZONPJCPNRFQ-LPHOPBHVSA-N 340.427 2.200 30 40 EEEB O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 5757324 XPDGEVVGQUOSHM-GFCCVEGCSA-N 328.353 2.452 30 40 EEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cc2cccs2)C1 225481872 IHYJKPKLJAGMGN-LBPRGKRZSA-N 328.397 2.022 30 40 EEEB C=CC[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)OCC)[C@H]3C=C[C@@]12O3 485849 SWEOKISNCSPDIY-ZPFYTHJMSA-N 339.391 2.481 30 40 EEEB biogenic N/C(=N/Cc1cccs1)NCc1ccccc1CN1CCOCC1 78813615 GXBBXUSWCGWYCE-UHFFFAOYSA-N 344.484 2.185 30 40 EEEB Cc1cc(C)c2ncc(C#N)c(N3CCS(=O)(=O)[C@@H](C)C3)c2c1 97142339 OBVJHCCSPKCKJY-ZDUSSCGKSA-N 329.425 2.347 30 40 EEEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1O 105473418 UHRBIMATOQESSJ-LFIBNONCSA-N 349.368 2.311 30 40 EEEB N#Cc1ccc(OCC(=O)N2CCC(N3CCCCC3)CC2)cc1 58213626 XIQBBNZRDWRNIA-UHFFFAOYSA-N 327.428 2.414 30 40 EEEB COCCn1nnnc1[C@H](c1cccc(C#N)c1)N1CCCCCC1 57710799 XPEOBSKJHMFQSK-KRWDZBQOSA-N 340.431 2.157 30 40 EEEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)[C@H]3CCCO3)c2C#N)C1 3362601 QZXQVRLOCPOAQL-ZWNOBZJWSA-N 348.424 2.405 30 40 EEEB CN(C)C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 97252408 XEQGWZZNCKUSDK-GOSISDBHSA-N 343.452 2.281 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCc2ccc(F)cc21 84459345 XFLMKABYRXPEBE-INIZCTEOSA-N 331.372 2.444 30 40 EEEB Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)on1 65623195 VZRIKGBNRXOLJF-CYBMUJFWSA-N 342.380 2.009 30 40 EEEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccccc1F 408528047 QMJSOEIVWDHQHE-OHTBPHCPSA-N 343.358 2.411 30 40 EEEB O=C(C[C@@H]1SC(N/N=C\c2ccco2)=NC1=O)Nc1ccccc1 16810533 FLIYDQCLZJPTMV-NWRYFCBHSA-N 342.380 2.230 30 40 EEEB CN(CCOc1ccc(C#N)cc1)C[C@H]1CCCN1c1cccnn1 71859950 GHULJRDKXRZKFG-QGZVFWFLSA-N 337.427 2.328 30 40 EEEB CCO[C@H]1C[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 71802098 GOTPKOBTSZKARR-MSOLQXFVSA-N 327.428 2.018 30 40 EEEB CN1CCN([C@@H](C(=O)NCc2cccc(C#N)c2)c2ccccc2)CC1 69698447 HYAJIONQPGZEDA-HXUWFJFHSA-N 348.450 2.163 30 40 EEEB C[C@H]1CCCC[C@@]12NC(=O)N(CCOc1ccc(C#N)cc1)C2=O 8940364 ZYSHWUIFQWQGSC-SCLBCKFNSA-N 327.384 2.438 30 40 EEEB N#Cc1ccc(NC[C@@H]2CCN(Cc3ccc4c(c3)OC(=O)C4)C2)nc1 65502606 SFYVOMPWTYNEMC-INIZCTEOSA-N 348.406 2.349 30 40 EEEB C=CCO[C@H]1CCN(C(=O)Cc2cccs2)[C@H]1Cc1cnn(C)c1 306137481 QXMSZEZZLAKGNO-IRXDYDNUSA-N 345.468 2.439 30 40 EEEB Cc1ccc(C(=O)OCCNc2ncccc2C#N)cc1[N+](=O)[O-] 78985027 QHUONAPHQZQLQR-UHFFFAOYSA-N 326.312 2.439 30 40 EEEB O=C(NCc1ccco1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 77648434 SLHWDZWAOURWQC-UHFFFAOYSA-N 345.358 2.329 30 40 EEEB C=CC[C@H](C)[C@H](C)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 90035652 BHNWZEXUGSDARL-GJZGRUSLSA-N 344.521 2.150 30 40 EEEB O=c1[nH]c2ccccc2c(=O)n1CC/C(O)=N/Cc1ccc(F)cc1 424185 IKTBMWSSXUSIPN-UHFFFAOYSA-N 341.342 2.376 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 103508207 MVCZZODNGKSOQR-HNNXBMFYSA-N 336.395 2.210 30 40 EEEB C#CCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)nc1 78876511 UEJFVOBPCHGQAA-UHFFFAOYSA-N 327.771 2.279 30 40 EEEB Cn1c(=O)n(CCC(=O)Nc2sccc2C#N)c2ccccc21 44894259 PNTQIRVCVUYRPD-UHFFFAOYSA-N 326.381 2.302 30 40 EEEB C=CCNC(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 58344180 KOUQGFMHTSNOTB-AWEZNQCLSA-N 344.390 2.357 30 40 EEEB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)ccc1Cl 3346947 CBYOFEVVNIXERF-UHFFFAOYSA-N 349.799 2.372 30 40 EEEB C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)C(C)C)c1 58413631 LNDRBFZRRYZLRW-AWEZNQCLSA-N 348.468 2.247 30 40 EEEB N#Cc1ccc(/C=N/NC(=S)N/N=C/c2ccc(C#N)cc2)cc1 2644417 AKAXCTKVFFLLHK-HGEIODPWSA-N 332.392 2.262 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)N(C)Cc1nnc2ccccn12 65624836 RZJIHLGGYZZEBB-ZDUSSCGKSA-N 335.367 2.027 30 40 EEEB C[C@H]1C[C@H](C)CN(C(=O)COCC(=O)Nc2ccc(C#N)cc2)C1 4700044 QGSPEJVOEZIIFE-KBPBESRZSA-N 329.400 2.018 30 40 EEEB Cc1ccccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 7059434 DCWNQQKULNPDOS-UHFFFAOYSA-N 341.436 2.378 30 40 EEEB C=CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1 7713663 PSISGGAFHGOQQZ-UHFFFAOYSA-N 346.412 2.457 30 40 EEEB N#Cc1cccc(OCCN2CCN(Cc3cscn3)CC2)c1 71841057 QRKNDEAVGDBWNQ-UHFFFAOYSA-N 328.441 2.211 30 40 EEEB N#CCCCS(=O)(=O)N1CCN(Cc2cc3ccccc3o2)CC1 71897451 ZWRIREBKUAMOLD-UHFFFAOYSA-N 347.440 2.184 30 40 EEEB N#Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2F)cc1 9691121 RFIBOQXLIYSHBV-UHFFFAOYSA-N 347.371 2.004 30 40 EEEB COc1cc(CN2CC[C@H](Nc3nccnc3C#N)C2)cc(OC)c1 88751440 ZXBLVXHXGKBDNA-AWEZNQCLSA-N 339.399 2.052 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N[C@H]1CCCN(C2CCCCC2)C1 88959811 PCSKDFGSYZIIMN-HNNXBMFYSA-N 348.495 2.230 30 40 EEEB CC(C)[C@H](NC1CC(C#N)(c2ccccc2)C1)C(=O)N1CCOCC1 127580035 JRRLPSRQBLHHEB-FDYSRKEFSA-N 341.455 2.083 30 40 EEEB Cc1oc(NC(=O)CN2CCC[C@@H](c3ccnn3C)C2)c(C#N)c1C 72270567 KTARVILKNMLDLM-CQSZACIVSA-N 341.415 2.320 30 40 EEEB Cc1nc(C#N)c(N2CCN(C(=O)CSc3ccoc3C)CC2)o1 131389549 VPIVVHJFBHIMAU-UHFFFAOYSA-N 346.412 2.197 30 40 EEEB N#Cc1cccc(C(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)c1 225634510 QKWKSLNTFHDCDW-INIZCTEOSA-N 349.346 2.008 30 40 EEEB CC(C)(C)n1cc(/C(O)=N/S(=O)(=O)c2cccc(F)c2)cn1 96442694 NAQREFZYSBEKCW-UHFFFAOYSA-N 325.365 2.471 30 40 EEEB C=C1C[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@H]2OCc2ccccc2)OC1=O 5742154 GMPQSOIOCLUVEM-IQWQSGHPSA-N 346.379 2.320 30 40 EEEB N#Cc1ccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)nc1 1889096195 CUBPAKSNLLDVFY-UHFFFAOYSA-N 334.370 2.427 30 40 EEEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2ccco2)CC1 22817140 LIAHXWUTKQVOCP-HNNXBMFYSA-N 338.411 2.296 30 40 EEEB CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(C(=O)O)c(O)c1 12412976 SIAIQIYHXHDQKM-CYVLTUHYSA-N 338.323 2.281 30 40 EEEB NC(=O)COc1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc1 408965218 URYNZZMWRAFIAV-YXSASFKJSA-N 338.289 2.411 30 40 EEEB C#CCOc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OC 409126134 NYXMUWJXJQCIJQ-RVDMUPIBSA-N 347.392 2.390 30 40 EEEB N#Cc1ccccc1COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 409226688 RCWPLUGSBKKPAH-UHFFFAOYSA-N 332.315 2.345 30 40 EEEB C=CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1cncn1-c1ccccc1 521396425 WSWWFYRTUMVVIX-INIZCTEOSA-N 338.411 2.121 30 40 EEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C=O)cc1 218091359 WELLFUVXPYRHHG-FGTMMUONSA-N 341.388 2.344 30 40 EEEB C/N=C(/NCc1nccn1C)N(C)CCOc1ccc(Cl)cc1 73783792 TVWKRBRXVBLNKS-UHFFFAOYSA-N 335.839 2.160 30 40 EEEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4ccccn4)C3)C2)n1 96229094 GHSQJPPJHOESIN-HXUWFJFHSA-N 349.438 2.472 30 40 EEEB COc1cc(C(=O)[C@H](C#N)C(=O)NCc2cccc(C)c2)cc(C)n1 252509279 YJFAXWDYMYNFPW-INIZCTEOSA-N 337.379 2.346 30 40 EEEB Cc1nsc(NC(=O)N2CCC(c3cnn(C)c3)CC2)c1C#N 297530827 XUKKOBPKUFQVLC-UHFFFAOYSA-N 330.417 2.468 30 40 EEEB CCc1nnc(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1N 5003876 JMECPFYVVBZRIM-RQZCQDPDSA-N 341.331 2.169 30 40 EEEB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1 12759368 CKVRMNRJTYGEBT-XJKSGUPXSA-N 349.456 2.187 30 40 EEEB N#Cc1cc2c(=O)n(Cc3ccccc3)ccc2nc1N1CCOCC1 12376632 VKQKKIAAVREVMB-UHFFFAOYSA-N 346.390 2.153 30 40 EEEB CCCc1nnc(SCC(=O)O)n1/N=C/c1ccc2c(c1)OCO2 502493 OWEYTUHKEGDCQX-FRKPEAEDSA-N 348.384 2.018 30 40 EEEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)C1=NO[C@H](c2ccccc2)C1 104055547 CEQIFSRTPJYEOJ-ZFWWWQNUSA-N 334.335 2.247 30 40 EEEB C#CCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 13939672 UUAQICBBSJUKLL-LCYFTJDESA-N 333.365 2.382 30 40 EEEB CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(C#N)cc1 68365698 RXBVJEMNAPNJAY-OAHLLOKOSA-N 331.441 2.236 30 40 EEEB CCS(=O)(=O)CCN/C(=N/C)N[C@H](C)c1ccccc1Cl 73807347 VBXXNQWFMFCMOF-LLVKDONJSA-N 331.869 2.001 30 40 EEEB Cc1cc(C#N)ccc1S(=O)(=O)NCC1(CCO)CCCCC1 95986227 FZNKGNUDKQVLCO-UHFFFAOYSA-N 336.457 2.478 30 40 EEEB N/C(=N/Cc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1 95948306 ABIXBLHESGYKRT-UHFFFAOYSA-N 328.391 2.168 30 40 EEEB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC#CCN1CCCC1 75164652 GXZYEVIFBJBMMS-UHFFFAOYSA-N 340.402 2.055 30 40 EEEB O=C1/C(=N\Nc2ccccn2)c2cccc(F)c2N1C1CSC1 223758264 QLFWRYYVTKTQAL-ZHZULCJRSA-N 328.372 2.499 30 40 EEEB N#CCC(=O)N1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1 585090733 BHHCPIVKVDDVOM-UHFFFAOYSA-N 343.761 2.499 30 40 EEEB N#Cc1cccc(NC(=O)COCc2nc(-c3ccncc3)no2)c1 96182058 HGCGDFLGJVHCQF-UHFFFAOYSA-N 335.323 2.159 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC 242400258 ASDRLYUVPXOQNJ-GZBFAFLISA-N 341.816 2.314 30 40 EEEB CCCCN1CCOB(c2cc(F)cc(Br)c2)OCC1 209773099 GWUJEJVVNDXALV-UHFFFAOYSA-N 344.033 2.432 30 40 EEEB in-vitro C=CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C 4070229 KHZBWYUHQOZIDO-CQSZACIVSA-N 331.328 2.294 30 40 EEEB Cc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)cc1 20170912 PZQGNUQZGORFMM-UHFFFAOYSA-N 342.399 2.178 30 40 EEEB CSc1ccccc1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N 32776367 VVDLKJLFABGABK-UHFFFAOYSA-N 346.437 2.403 30 40 EEEB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cnc(C#N)n2)cc1 53619463 WRRZYDILGBKCMA-INIZCTEOSA-N 339.399 2.302 30 40 EEEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)CC[C@H]1CCCO1 95389950 XXDXESWPQGNQGX-LLVKDONJSA-N 332.809 2.481 30 40 EEEB N#C/C(=N\Nc1cc(C(=O)O)cc(C(=O)O)c1)C(=O)c1ccccc1 3230974 DPKMMWCETGBKEW-XSFVSMFZSA-N 337.291 2.257 30 40 EEEB N#Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1NCC1CC1 95417549 JEGDHTIYDXZVQV-UHFFFAOYSA-N 333.335 2.221 30 40 EEEB CC1=NN(C(=O)N/C(C)=C/C(=O)C(F)(F)F)[C@@](O)(C(F)(F)F)C1 59489012 QYJGOSGNDMRRMX-SGRBOOSSSA-N 347.215 2.064 30 40 EEEB COc1ccccc1-c1cc(Cn2nc(C)c(C)c(C#N)c2=O)on1 24877295 JLALSQOCQFUWHT-UHFFFAOYSA-N 336.351 2.444 30 40 EEEB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 3424284 PTJICZVDUMFTMH-GOSISDBHSA-N 342.399 2.243 30 40 EEEB CCc1ccccc1-n1c(SCC#N)nnc1N1CCOCC1 7072857 FFEVPCZYECRBDX-UHFFFAOYSA-N 329.429 2.282 30 40 EEEB C=CCN/C(=N/CC)NCc1cccc(C(=O)NCc2ccco2)c1 95948128 CARSAEYQAXOVBN-UHFFFAOYSA-N 340.427 2.451 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(N2CCCC2)cc1 409406607 KMXQTKDQMVDNRP-UOVPBQLFSA-N 335.407 2.428 30 40 EEEB C=CCNc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O 217604172 UTQAWEWPKJLGAG-UHFFFAOYSA-N 346.408 2.461 30 40 EEEB N#C[C@]1(C=O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 225663753 OUMAVHIWOYLFNU-IKGGRYGDSA-N 329.352 2.474 30 40 EEEB COc1cc(/N=C(\N)Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OC 225235619 DWRXYULASCHIEA-UHFFFAOYSA-N 347.331 2.074 30 40 EEEB COc1ccc(/C=N\OC(=O)C2CC2)cc1Cn1cc([N+](=O)[O-])cn1 5918076 GXHNESCZMCOOCM-WSVATBPTSA-N 344.327 2.135 30 40 EEEB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 13512700 ZFQSDPPADTWKDI-IIJALIKYSA-N 344.451 2.443 30 40 EEEB C=CCN1CCC[C@]12CCCN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1614933040 CYRSZEHRHORSJQ-FQEVSTJZSA-N 339.439 2.438 30 40 EEEB COCCCNC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CC[C@H](C)C2 103259689 KKTYTTFHUAZNIS-WCQYABFASA-N 334.441 2.348 30 40 EEEB CCc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1 6809468 STWZHCDIYUFKFD-UHFFFAOYSA-N 342.358 2.433 30 40 EEEB Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCCC(=O)O)C1 8636088 DQKSVRSVVYXDFM-HUUCEWRRSA-N 344.415 2.197 30 40 EEEB biogenic,in-vitro N#Cc1cnn(-c2ccc(NC(=O)NCCc3ccccn3)cc2)c1N 58367084 WDPOZDRJJRTUFQ-UHFFFAOYSA-N 347.382 2.085 30 40 EEEB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CC(=O)NC1(C#N)CCCC1 72253604 GBOYBWZRZBEUCK-CYBMUJFWSA-N 349.866 2.471 30 40 EEEB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2ccccc2C#N)C1 84259211 JJEJFQHXRAKOEO-SFHVURJKSA-N 338.411 2.478 30 40 EEEB C#CC(CC)(CC)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8345874 DHQRUOKBWHBTEC-UHFFFAOYSA-N 348.468 2.393 30 40 EEEB N#Cc1c(N)sc2c1CCN(c1nc3sccn3c1[N+](=O)[O-])C2 8746377 NLYXQZADKJQEQS-UHFFFAOYSA-N 346.397 2.382 30 40 EEEB C#CCCN1CCN(C(=O)[C@@H](C)CC(=O)c2ccccc2F)CC1 79869936 XAMGIQGJVMMQQW-HNNXBMFYSA-N 330.403 2.202 30 40 EEEB COc1cc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc(Cl)c1O 3547020 VHRDNAFMCHWDDT-XGACYXMMSA-N 336.727 2.282 30 40 EEEB CCN1C(C(=O)c2ccccc2)=C(NC)c2ccccc2S1(=O)=O 20029623 GQTJKQJSSWDBDV-UHFFFAOYSA-N 342.420 2.482 30 40 EEEB C=C(C)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N 527276 SEQHMFBIYJGHBY-UHFFFAOYSA-N 336.417 2.353 30 40 EEEB CCOCCCNC(=O)[C@@H](C#N)C(=O)/C=C(\C)c1ccc(F)cc1 103682057 VKGHFELPNOMXJS-BYIUCRAPSA-N 332.375 2.481 30 40 EEEB Cc1cc(N2CCC[C@H](C(N)=O)C2)n2c(nc3ccccc32)c1C#N 22534776 OEKVYJGKYNABHD-ZDUSSCGKSA-N 333.395 2.369 30 40 EEEB O=S(=O)(N=C1NCN(CCC2=CCCCC2)CN1)c1ccccc1 22607948 IMCPAIWZDYWAAH-UHFFFAOYSA-N 348.472 2.032 30 40 EEEB N#Cc1ccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 78850286 MEFGNIQKEKQLDD-OAHLLOKOSA-N 333.347 2.016 30 40 EEEB O=S1(=O)CC[C@H](N(/N=C/c2ccccc2O)c2ccccc2)C1 4828541 ZAJJWWFNJCGSHL-IQFISFIMSA-N 330.409 2.420 30 40 EEEB COc1ccccc1N(CC1=CCOCC1)C(=O)C[n+]1ccccc1 1740813 DLOYLUZEPXUQIG-UHFFFAOYSA-N 339.415 2.363 30 40 EEEB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)/N=C1/NCCS1 36724886 CQJUGUFJLRGCBU-GFCCVEGCSA-N 339.848 2.313 30 40 EEEB N#Cc1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 5342619 IQEAIFMCRCNMNE-LJQANCHMSA-N 333.347 2.288 30 40 EEEB COc1cccc(/C=C2\NS(=O)(=O)c3ccccc3C2=O)c1OC 9421828 OFDWQDRHBZBOHY-RAXLEYEMSA-N 345.376 2.220 30 40 EEEB C[C@@H]([C@@H](C)NCC(=O)Nc1sc2c(c1C#N)CCC2)n1cccn1 71882085 BTEXGCXFFBZURQ-NEPJUHHUSA-N 343.456 2.483 30 40 EEEB C=C(Br)CN1CCN(C2CCN(CCC)CC2)CC1 71902328 MNOUKIJKCUPLQC-UHFFFAOYSA-N 330.314 2.387 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1/C=N/Cc1ccccc1 408527030 JEBVXGUABFDSGQ-AYPRBGQRSA-N 339.326 2.296 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N\Cc2ccco2)C1=O 408527981 PSVSZMDFERCTOS-VQIMKDEXSA-N 325.324 2.058 30 40 EEEB Cc1c(Cl)cnc(NC[C@@H]2CCO[C@H]2c2cnn(C)c2)c1C#N 591193101 CNXVRDKAKMBUSU-XHDPSFHLSA-N 331.807 2.838 30 40 EEEB O=C(NCC#CCOc1ccc2c(c1)OCO2)NCc1cccs1 90730947 LMHOKJNTRKEZBX-UHFFFAOYSA-N 344.392 2.358 30 40 EEEB Cc1c(C#N)c(NC(=O)CN2CCC(O)CC2)n(C2CCCC2)c1C 40481446 QHZFDZUCFWERKX-UHFFFAOYSA-N 344.459 2.487 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)c2c[nH]c(=O)c(Cl)c2)cc1C 54424477 HWPFYUVHLNWVCD-UHFFFAOYSA-N 340.788 2.339 30 40 EEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 19582804 AAPWTUIOZKCYEL-INIZCTEOSA-N 340.379 2.420 30 40 EEEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1CCc1ccc(F)cc1 7424975 CFEZNUAHHUTUQH-UHFFFAOYSA-N 336.370 2.457 30 40 EEEB C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 96309079 CYFYRUNMVOBTIB-VBNZEHGJSA-N 340.379 2.165 30 40 EEEB N#Cc1ccccc1OCC(=O)Nc1ccccc1SCC(N)=O 17529280 NGHDFBKIPSQLEF-UHFFFAOYSA-N 341.392 2.153 30 40 EEEB N#Cc1ccsc1NC(=O)Cc1csc(N2CCCNC2=O)n1 72282639 YUKQMKUKEDVHSX-UHFFFAOYSA-N 347.425 2.177 30 40 EEEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408936505 KQBLUZWNIAHWMU-LGMDPLHJSA-N 346.342 2.365 30 40 EEEB N#CCC(=O)Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 1547139526 SEYPMXWTFOPAAS-UHFFFAOYSA-N 329.315 2.197 30 40 EEEB biogenic CN([C@@]1(C#N)CCOC1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 194701152 XPSHKSTVWITAJK-CYBMUJFWSA-N 349.239 2.438 30 40 EEEB N#Cc1ccc(OC2CN(C(=O)Cc3c[nH]c4ncccc34)C2)cc1 97378123 IFFIUSARZHEFRU-UHFFFAOYSA-N 332.363 2.267 30 40 EEEB CN1CCN(S(=O)(=O)c2cccc(C#N)c2)c2ccc(F)cc21 96428764 SMPREHSXUKRAAF-UHFFFAOYSA-N 331.372 2.342 30 40 EEEB CCCN(CC#N)C(=O)CNC(=O)c1ccc(Cl)cc1Cl 97096121 LMGAINXHZGZAKY-UHFFFAOYSA-N 328.199 2.485 30 40 EEEB C=C(Br)CN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 89905286 NCJVWHOVGNLPHQ-JTQLQIEISA-N 333.251 2.235 30 40 EEEB Cc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 422237 MRGTUNPDGTUMIG-UHFFFAOYSA-N 327.409 2.366 30 40 EEEB C[C@@H]1C[C@@H](OC[C@@H](S)CN2CCN(CCO)CC2)CC(C)(C)C1 20806367 PURXJYWXKBULRX-ZACQAIPSSA-N 344.565 2.126 30 40 EEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 5216341 SDBGKGISJZKUGD-JJLJGCLUSA-N 338.454 2.006 30 40 EEEB C=CCNC(=O)CN[C@H](C)c1ccc(OC)c(Br)c1 96908339 QVLQVEBTGLCNAT-SNVBAGLBSA-N 327.222 2.411 30 40 EEEB CC/N=C(/NC[C@H]1CCS(=O)(=O)C1)NCC1(CC(C)C)CCC1 195546214 PBURCEKVCOPCDC-OAHLLOKOSA-N 343.537 2.193 30 40 EEEB CC(C)n1cc(S(=O)(=O)N2CCCc3cc(C#N)ccc32)cn1 585128879 PUXLREVDMBOUNZ-UHFFFAOYSA-N 330.413 2.477 30 40 EEEB C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 72281323 UIQRBJBXFZZKFZ-HNNXBMFYSA-N 346.394 2.283 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)/C=C/c1ccco1 5018844 VHKNYYRFMIZIII-GQCTYLIASA-N 341.279 2.255 30 40 EEEB N#Cc1ccnc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c1 2298183924 HCDGVDMMXOOXIX-AWEZNQCLSA-N 334.370 2.427 30 40 EEEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2ncccc2c1=O 31614850 GPXUEAFQANQJST-LBPRGKRZSA-N 346.456 2.230 30 40 EEEB CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 21365094 VSUVCBGJHFJQIJ-CYBMUJFWSA-N 335.429 2.223 30 40 EEEB COc1cccc(/C=C/C(=O)[C@@H](C#N)C(=O)N2CCCC2)c1OC 103502709 MAGAWHARMBZCAR-MYSGNRETSA-N 328.368 2.048 30 40 EEEB COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)ccc1O 371643 HLLWVEIOTNYSEV-INIZCTEOSA-N 343.335 2.478 30 40 EEEB C#CCOc1ccccc1OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 78655610 UQJBJKIBIYTJCS-HNNXBMFYSA-N 327.380 2.253 30 40 EEEB COc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1C#N 78898613 XMXLOPUXOQDZKI-SUMWQHHRSA-N 327.428 2.303 30 40 EEEB CC(=O)C1=C(c2ccc(F)cc2)N(C(C)=O)n2c(C)nnc2S1 4518270 RFQKNKBQNLXOCE-UHFFFAOYSA-N 332.360 2.274 30 40 EEEB N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(F)cc1F 58308131 HYRFHKFLYMCNOH-UHFFFAOYSA-N 337.351 2.464 30 40 EEEB Cc1ccccc1/N=C\c1c(O)[nH]c(=O)n(-c2ccc(F)cc2)c1=O 100967376 NYFHYUJWJNXSMH-JMIUGGIZSA-N 339.326 2.430 30 40 EEEB COc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1nccn1C 45307225 XWCYZRTZQPVHAG-CZUORRHYSA-N 341.415 2.319 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCc2c(F)cccc21 95403105 CDLLQZNOKVLIBR-INIZCTEOSA-N 331.372 2.444 30 40 EEEB CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(C#N)c2)C1 67244489 RBAIDHJQEMABGF-INIZCTEOSA-N 341.436 2.240 30 40 EEEB CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(F)c(C#N)c2)CC1 71911845 COLMNROPZCOXKC-CQSZACIVSA-N 347.438 2.092 30 40 EEEB CCc1ncc2c(n1)CN(CCC(=O)Nc1sccc1C#N)CC2 70017773 ORTDNNWGOMHYGO-UHFFFAOYSA-N 341.440 2.359 30 40 EEEB N#Cc1cccnc1OC1CCC(NC(=O)C[C@@H]2CCCO2)CC1 525849764 YPKYWKQQVUITEK-GPANFISMSA-N 329.400 2.329 30 40 EEEB CO[C@H](C)c1nc(C/N=C(/O)N[C@H]2CCc3c[nH]nc3C2)cs1 329829147 JRQQYRDDYQTFGP-KOLCDFICSA-N 335.433 2.135 30 40 EEEB Cc1nn(Cc2nn(-c3ccccc3)c3c2CCC3)c(=O)c(C#N)c1C 58191374 RAMHBSCFPLUXDV-UHFFFAOYSA-N 345.406 2.455 30 40 EEEB CCOc1cccc(N2CCN(C(=O)C3(C#N)CCCC3)CC2)n1 106705906 NQIHGHFCUBUCDO-UHFFFAOYSA-N 328.416 2.213 30 40 EEEB Cc1ccccc1/N=C/c1c(O)[nH]c(=O)n(-c2ccc(F)cc2)c1=O 101597234 NYFHYUJWJNXSMH-KEBDBYFISA-N 339.326 2.430 30 40 EEEB C=CCc1ccccc1OC[C@@H](O)CSc1nnnn1C1CC1 14238409 UFVGYWDBVDJDGO-CQSZACIVSA-N 332.429 2.269 30 40 EEEB N#C[C@]1(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)CCSC1 96426334 JILRRLXSBXFOBQ-MRXNPFEDSA-N 330.388 2.069 30 40 EEEB C=CCN(CC=C)C(=O)CN(C)CC(=O)Nc1ccccc1SC 8036512 NLQXUAAUVCVMBA-UHFFFAOYSA-N 347.484 2.479 30 40 EEEB CC/N=C1/S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C(=O)N1CC 408930980 FSNIQNHAPNWSCM-WVTXTPTHSA-N 344.440 2.189 30 40 EEEB CCn1ccnc1CN1CCCN(C(=O)c2sccc2C#N)CC1 69770457 NXXDZASFYRLANV-UHFFFAOYSA-N 343.456 2.184 30 40 EEEB CN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O 71900449 WDFYROXWXMAVFO-LBPRGKRZSA-N 342.277 2.066 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(CCc2ncc(-c3ccccc3)o2)c1 71905181 PSOJDVMWWYEPJK-UHFFFAOYSA-N 349.346 2.404 30 40 EEEB CCNC(=S)N/N=C/c1cc(OCC)c(O)cc1Br 409374031 XZKPMRIEPKWGLR-VIZOYTHASA-N 346.250 2.371 30 40 EEEB Cc1cc2cc(C#N)c(NCCNC(=O)[C@@H]3CCCO3)nc2cc1C 35315820 JACNCBWCJMEJLL-KRWDZBQOSA-N 338.411 2.430 30 40 EEEB C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCC)cc1 40121815 NIWFZBSLSIQMDL-UHFFFAOYSA-N 325.434 2.415 30 40 EEEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc(C)nn1CC)C2 96039744 IUGYMXLQVXCBSK-IEBWSBKVSA-N 347.459 2.425 30 40 EEEB CS(=O)(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 96466536 OZLPATXEIWXPMF-UHFFFAOYSA-N 347.362 2.413 30 40 EEEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccnc2)cc1 69814480 SRECPDIIPQBHEX-HNNXBMFYSA-N 338.392 2.107 30 40 EEEB CN(/C(N)=N/C[C@H](c1ccc(Cl)cc1)N1CCOCC1)C1CC1 252483954 FLHXNKINIYNSOY-MRXNPFEDSA-N 336.867 2.122 30 40 EEEB Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@](O)(C(=O)O)C3)c2c1 1615572199 STDQQIPGGRWCSU-QGZVFWFLSA-N 345.786 2.484 30 40 EEEB N#Cc1ccccc1OCCN1CCN(c2cncc(Cl)n2)CC1 1616031930 BEJYUBFUNZPUSF-UHFFFAOYSA-N 343.818 2.203 30 40 EEEB C=CCn1c(O)c(C(=O)Nc2ncccc2O)c(=O)c2ccccc21 5817024 FWWXFRJDMGHDEZ-UHFFFAOYSA-N 337.335 2.246 30 40 EEEB N#Cc1cccc(COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102127695 PPUHMFWXKATDMC-IYBDPMFKSA-N 340.379 2.167 30 40 EEEB Cc1cc(C)n2nc(CC(=O)Nc3ccc(C#N)c(Cl)c3)nc2n1 32915772 FLFHSGYTTWHAJE-UHFFFAOYSA-N 340.774 2.447 30 40 EEEB O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCO[C@H](CO)C1 79023174 KZJSDWWMGCRSSQ-IBGZPJMESA-N 336.391 2.311 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100227935 CYIRFOHUIPKUIU-WZJIXWIVSA-N 335.407 2.140 30 40 EEEB N#Cc1cccc(C(=O)N2CCC(CCN3CCOCC3)CC2)c1 58393641 GSGDRAXRUCEDBD-UHFFFAOYSA-N 327.428 2.133 30 40 EEEB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2C#N)cc1 29508807 VGPXCXNLQGLCIX-UHFFFAOYSA-N 343.408 2.126 30 40 EEEB CN(CCC#N)S(=O)(=O)NCCc1cccc(Cl)c1Cl 48671358 CCZLVOSKHTZOKG-UHFFFAOYSA-N 336.244 2.216 30 40 EEEB C=CCn1c(O)nc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c1=O 9332890 PQKCBHXJNIXLKA-VMPITWQZSA-N 332.743 2.390 30 40 EEEB N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccccc2F)c1=O 6809475 PZLJHHIHHYKSNO-UHFFFAOYSA-N 332.294 2.009 30 40 EEEB CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccc(C#N)cc3)ccc21 15323713 GJWFKJQKNQMDLA-UHFFFAOYSA-N 342.376 2.235 30 40 EEEB C=C(C)CNC(=S)N1C[C@H](C(=O)NCCC)Oc2ccccc21 7102432 ZZGZDYKSKICWLF-OAHLLOKOSA-N 333.457 2.231 30 40 EEEB COCC[C@H](C)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 92221973 DXDVKTIQXZPGOG-JEYLPNPQSA-N 346.431 2.367 30 40 EEEB C/N=C(\NCc1coc(-c2ccccc2)n1)NC[C@@H](C)N1CCCC1 95964611 XPRCJNUDWWIWFO-OAHLLOKOSA-N 341.459 2.491 30 40 EEEB Cc1cc(S(=O)(=O)/N=C(\O)c2cscn2)cc([N+](=O)[O-])c1C 78410946 FZYJUXJVYXMMFS-UHFFFAOYSA-N 341.370 2.362 30 40 EEEB N#Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCN3Cc2ccccn2)c1 96184726 CFANWKBFSJTSRL-RBUKOAKNSA-N 332.407 2.442 30 40 EEEB CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)O1 96427976 KUWDMGVAUOUFQR-GXFFZTMASA-N 328.821 2.400 30 40 EEEB N#CCSCC(=O)Nc1ccc(I)cc1 32649267 MCSDAGZLZQSZFR-UHFFFAOYSA-N 332.166 2.486 30 40 EEEB N#Cc1ccc(OCCCN2CCC(CN3CCOCC3)CC2)cc1 51959974 RYSKXWLLBHNNDV-UHFFFAOYSA-N 343.471 2.371 30 40 EEEB C=CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Cl)cc1 4200591 XNBNJSDHTDVESP-ZDUSSCGKSA-N 331.763 2.345 30 40 EEEB O=C(CC1=[N+]([O-])[C@H]2CCCC[C@@H]2N(O)C1=O)c1ccc(Cl)cc1 1406005 NFWXVEMFRLRWKR-STQMWFEESA-N 336.775 2.407 30 40 EEEB N#Cc1ccc(NC[C@@H]([C@@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 44976814 LLKAZSAYQYAINC-PBHICJAKSA-N 330.388 2.379 30 40 EEEB COc1ccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2cccnc2)cc1 48532434 BAJNBWVDZYGDAI-LLVKDONJSA-N 336.369 2.203 30 40 EEEB CCN(CC)S(=O)(=O)c1cccc(/N=C2\NC[C@H](C)S2)c1 3885654 PUAYGPJYKVHDRE-NSHDSACASA-N 327.475 2.430 30 40 EEEB C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCn2nc(C)nc21 83572569 QMGNHGYWLGQYDX-CQSZACIVSA-N 343.362 2.394 30 40 EEEB COc1ccc(CN2C[C@@H](C(=O)N[C@@H](C#N)CC(C)C)CC2=O)cc1 69580686 WIRXGSOCHYVAJC-JKSUJKDBSA-N 343.427 2.098 30 40 EEEB CC(C)[C@H](C#N)N1CCN(C(=O)CCSc2ccccn2)CC1 87236780 AFQDHROMBOORTG-HNNXBMFYSA-N 332.473 2.256 30 40 EEEB C=CCn1nnnc1S[C@@H]1CCCN(Cc2ccccc2)C1=O 89685351 GXHBXQUBHXDNCR-CQSZACIVSA-N 329.429 2.142 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2C[C@]2(C=O)NC(=O)OC(C)(C)C)cc1 217993718 GBEZNWARGBEOAS-CZUORRHYSA-N 339.413 2.003 30 40 EEEB C/N=C(/NCCNC(=O)C(C)C)N(C)Cc1ccc(Cl)s1 96406306 HXIPXYWJKJLKKC-UHFFFAOYSA-N 330.885 2.181 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4cccnc4)C3)C2)n1 96047682 HCNZCQCOJCSWJV-MJGOQNOKSA-N 335.411 2.194 30 40 EEEB C=C(Br)CNC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 96420703 PZSOJGREUVSTPK-LBPRGKRZSA-N 346.269 2.089 30 40 EEEB CC(C)(C#N)C(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1 55389128 OMWWEXPZEQWYOR-UHFFFAOYSA-N 345.418 2.273 30 40 EEEB N=C(N)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 5776076 HKUDXOGJBQKCCB-ZHZULCJRSA-N 327.775 2.074 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)c3cccc(Cl)n3)CC[C@@H]2C1 1565551973 YAXPVHORAZYDSQ-UKRRQHHQSA-N 335.835 2.084 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC 4017133 JEQRRKBRAOJAEK-HNNXBMFYSA-N 332.356 2.061 30 40 EEEB Cc1ccc(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)c(Cl)c1 7441465 WQUJZRMNHJFEPT-UHFFFAOYSA-N 330.775 2.332 30 40 EEEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc2c(c1)OCO2 12546362 YPBXBSGFHVGPEA-UHFFFAOYSA-N 334.335 2.008 30 40 EEEB Cc1csc(N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)n1 58265791 QYNAHYYOXUDSDD-UHFFFAOYSA-N 341.440 2.084 30 40 EEEB Cc1noc(C)c1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 29225322 FOQDWDIXKUKYDA-UHFFFAOYSA-N 327.388 2.351 30 40 EEEB N#Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(N)nc1O 4002836 CWCRVQGCZGXODW-UHFFFAOYSA-N 343.286 2.093 30 40 EEEB C=CCNC(=O)c1ccc(N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)nc1 84597521 MAPSIANZYYTCFJ-GOEBONIOSA-N 344.459 2.493 30 40 EEEB Cc1cccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@@H]2CCCO2)c1 69283141 YXABARFBHJWLQX-STQMWFEESA-N 327.402 2.224 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](N2CCCCCC2)C1 69743738 LGMILPKKUHNLOC-PKOBYXMFSA-N 334.508 2.381 30 40 EEEB CC(C)[C@@H](CC#N)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 72310787 BLAOWZORQVCAIZ-TZMCWYRMSA-N 344.367 2.250 30 40 EEEB CC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc(Br)cc1 33663462 JSKHEGUBYLMTSK-LBPRGKRZSA-N 340.246 2.417 30 40 EEEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218558858 JDXNECAAZMFQKI-YESZJQIVSA-N 329.352 2.474 30 40 EEEB C=C[C@]1(O)CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 14684856 BSRUJCFCZKMFMB-XVVDYKMHSA-N 340.423 2.288 30 40 EEEB biogenic,in-vitro CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cn1 69417571 OVVWAKKEXSLDHK-GFCCVEGCSA-N 326.322 2.190 30 40 EEEB C[C@@H](C(=O)NC1(C#N)CCCCC1)n1nc(C(F)(F)F)ccc1=O 1888881747 DTOGEFFQNMEOOQ-JTQLQIEISA-N 342.321 2.166 30 40 EEEB N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=O)N3 103314332 QFRCSMYVSDZNDF-LTDCPUDJSA-N 332.363 2.318 30 40 EEEB C=C(C)CN1CCC(NC(=O)NCCc2cn3c(n2)CCCC3)CC1 78602449 XWVCWRYYLIOPMI-UHFFFAOYSA-N 345.491 2.102 30 40 EEEB CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)C[C@@H]2C=CCC2)c1 54487357 VFKZAZDJIOZOGX-LLVKDONJSA-N 343.426 2.092 30 40 EEEB N#Cc1cccc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 107362721 DNJPJFPTOWEYCP-UXHICEINSA-N 347.418 2.284 30 40 EEEB N#Cc1cccnc1NC1CCN(CC(=O)Nc2ccccc2)CC1 29081511 UTDXMBNAZJHOHO-UHFFFAOYSA-N 335.411 2.468 30 40 EEEB C#Cc1cccc(NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 72230594 UAKOEGRUBRIREW-GOEBONIOSA-N 343.427 2.063 30 40 EEEB C=CCn1nnnc1SC[C@H](O)c1ccc(Br)cc1 78441026 OLYQHEUSEPVIPT-NSHDSACASA-N 341.234 2.447 30 40 EEEB COCCCNc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]2C[C@H]21 1615051195 XONAUNFXERPKIV-GDBMZVCRSA-N 349.456 2.180 30 40 EEEB COC(=O)c1ccc(-c2nnn(Cc3ccc(F)c(C#N)c3)n2)cc1 95965514 KMCVIYYTTRRRPX-UHFFFAOYSA-N 337.314 2.186 30 40 EEEB CCCCCNC1=C(OC)C(=O)C(NCCCCC)=C(OC)C1=O 1615594 MTJDBTJIDUOAJE-UHFFFAOYSA-N 338.448 2.414 30 40 EEEB Cc1c(C(=O)NC2(C#N)CC2)sc2nc(-c3ccco3)[nH]c(=O)c12 95399381 BSXXGWIRSYINFE-UHFFFAOYSA-N 340.364 2.339 30 40 EEEB CC(C)c1cc(C(=O)N2CCCN(c3ncccc3C#N)CC2)n[nH]1 55742565 BJPVFISXQITTDJ-UHFFFAOYSA-N 338.415 2.152 30 40 EEEB Cc1sc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C#N)c1C 103053053 SHALZIRGVWMPSI-RYUDHWBXSA-N 343.408 2.126 30 40 EEEB COc1ccc(C2=CCN(CCC(=O)N(CC#N)CC#N)CC2)cc1 58367654 INFYOFUBZTWWTH-UHFFFAOYSA-N 338.411 2.050 30 40 EEEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cs1 14253105 CTIOXRBXSIEBDN-VIFPVBQESA-N 336.373 2.221 30 40 EEEB CS/C=C/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCCO2 83990443 JRBLUKDLPRMKPS-VMPITWQZSA-N 329.399 2.370 30 40 EEEB C[C@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)CO1 69740780 OPNCEUDXDAQRNO-HOTGVXAUSA-N 343.427 2.349 30 40 EEEB N#Cc1cc(C(=O)OCCOc2cncc(Br)c2)c[nH]1 97049088 VLIOIYATCCGLQL-UHFFFAOYSA-N 336.145 2.280 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cnn(C)c2)s1 78556460 VSUATEVXXULJSD-GHMZBOCLSA-N 325.415 2.239 30 40 EEEB COc1ccccc1[C@@H](C)C/C(O)=N/S(=O)(=O)c1cnn(C)c1 78410958 SAOKGLANYYUPCO-NSHDSACASA-N 337.401 2.268 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 225798033 SKXPKQWNULQDNW-CYBMUJFWSA-N 333.351 2.123 30 40 EEEB COc1cc(N2CCC3(CC2)CN(CC#N)c2ccccc23)ncn1 96078849 ISBKAXUHCGWNLM-UHFFFAOYSA-N 335.411 2.367 30 40 EEEB CN(C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 96418145 XTSLUWDGUASLGF-UHFFFAOYSA-N 344.459 2.130 30 40 EEEB C#CCCN1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)CC1 96426345 QJWCQZHYVRZGKH-UHFFFAOYSA-N 349.434 2.442 30 40 EEEB CN(CC#CCNS(=O)(=O)Cc1ccccc1)Cc1ccccc1 85470664 NSVYIDOKOFNMRG-UHFFFAOYSA-N 342.464 2.241 30 40 EEEB N#CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 5008188 XDQPLCAMGXTKJE-LBPRGKRZSA-N 331.681 2.441 30 40 EEEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCO[C@H]2CCC[C@@H]21 53382641 MTCLQIIESZXTSJ-IRXDYDNUSA-N 330.432 2.126 30 40 EEEB CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 25369179 PVAUQUVGJQAANZ-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB C=CCSCC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 58210328 CXUKZGZBJGULQX-LLVKDONJSA-N 325.459 2.239 30 40 EEEB CN1CCCC[C@@H]1CN1CCN(CCOc2cccc(C#N)c2)CC1 71892868 KRKGATWXASZCRR-LJQANCHMSA-N 342.487 2.039 30 40 EEEB N#CCc1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 71847738 ATGNXYTXHQCVBA-SFHVURJKSA-N 333.391 2.284 30 40 EEEB C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H](C#N)c1cccc(Cl)c1 69772616 KDKCAMHTVYEHAB-QMTHXVAHSA-N 331.759 2.432 30 40 EEEB CN(C)[C@H](CNC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 25605718 PGVZSFKHIKEBNK-UYAOXDASSA-N 339.439 2.190 30 40 EEEB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(N)C#N)cc1 218105529 NLAXDUJKZPBIPJ-FGTMMUONSA-N 342.420 2.164 30 40 EEEB Cc1oc(NC(=O)CN2CCC[C@H]2Cn2cccn2)c(C#N)c1C 69893754 IGGVADLVQKIRFM-AWEZNQCLSA-N 327.388 2.068 30 40 EEEB C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCOCC3)CCC[C@H]2[C@@H]1c1ccccc1 39317989 ONQNHBXJKYZNBG-PBWTXFEYSA-N 344.411 2.259 30 40 EEEB N#Cc1ccc(OCCNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)cc1 225459023 GLTAIUTTWYSVIZ-IRXDYDNUSA-N 329.400 2.290 30 40 EEEB C/N=C(\NC)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 195546221 FROWYBBHAVLMJL-VIFPVBQESA-N 335.761 2.127 30 40 EEEB C[C@@]12CCC(=O)C=C1C=C[C@H]1[C@H]2CC(=O)[C@]2(C)[C@@H]1CC[C@H]2[C@@H](O)CO 1077995409 NCBLKWGLSQARQJ-QVOTTZKHSA-N 344.451 2.443 30 40 EEEB biogenic N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1C(F)(F)F 96483451 FKWYEBYDXXFEQZ-QWHCGFSZSA-N 348.346 2.159 30 40 EEEB Cn1ncc(C2CC2)c1CNC(=O)NCc1ccc(C#N)c(F)c1 595648281 SHEZYBLAJNZEDJ-UHFFFAOYSA-N 327.363 2.308 30 40 EEEB COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H](C)[C@H](N(C)C)C1 76051020 UZNXZRJAASQFRA-GOEBONIOSA-N 345.443 2.134 30 40 EEEB COc1ccccc1/C=N/[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 13136788 JRMVBSAREKNUEF-LMLSDYSLSA-N 330.340 2.117 30 40 EEEB CC(=O)N1N=C(C)C[C@]12CC[C@H]1CN(C(=O)C3(C#N)CCCC3)C[C@H]12 1565555788 PCEYBZOMHHBJFJ-FCEWJHQRSA-N 342.443 2.306 30 40 EEEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)C31CC1 100493482 BAOWMYTUKUMZDC-GMGUHPFVSA-N 337.335 2.126 30 40 EEEB O=C1C=C[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]1N2c1ccccc1 102664435 KCUXRZNMROURKA-KANFNMMFSA-N 344.370 2.189 30 40 EEEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 104308463 ROTQBVYWZPRCAN-SDXDJHTJSA-N 335.429 2.238 30 40 EEEB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(N(C)C)ccc1C#N 79072970 LKEZCMLIXABIEA-NEPJUHHUSA-N 331.420 2.049 30 40 EEEB COc1cc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)ccc1O 9262313 SWAXOTMWKYOUMO-BDJLRTHQSA-N 334.335 2.432 30 40 EEEB C[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)n1ccnc1 45877261 OMGLXTDKDZANSJ-MRXNPFEDSA-N 337.427 2.050 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)CN(C)CC2 29756504 GXJLFCANDWFEKA-NSHDSACASA-N 342.424 2.409 30 40 EEEB NS(=O)(=O)c1ccc(N/C(S)=N\Cc2cccs2)cc1 13555185 LVMCZNZMQWGQLZ-UHFFFAOYSA-N 327.456 2.293 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 64709344 HURDATSIDGIOEG-UHFFFAOYSA-N 349.394 2.413 30 40 EEEB CN1C[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O 68457951 ZZGMXWXYWLOTGF-BXKDBHETSA-N 326.183 2.153 30 40 EEEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCC(C(N)=O)CC1 16768502 SWYMANFNKWJACV-ONEGZZNKSA-N 328.397 2.480 30 40 EEEB N#CCCN(Cc1ccco1)C(=O)C(=O)NCCCc1ccccc1 69417492 HWTJEGXAEWAYMM-UHFFFAOYSA-N 339.395 2.271 30 40 EEEB CCc1nc([C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)no1 75573244 ORCKFWKBIMDBAX-AWEZNQCLSA-N 345.447 2.454 30 40 EEEB CCCCCCCc1nnc(SCC(=O)N2CCOCC2)n1C 408560133 BLROXLNPVMRTOH-UHFFFAOYSA-N 340.493 2.279 30 40 EEEB COc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(OC)c1OC 409064362 GVQNOZQGCCHGED-RQZCQDPDSA-N 332.316 2.462 30 40 EEEB Cn1cc(C2CCN(/C(O)=N/C[C@@H]3CCCn4ccnc43)CC2)cn1 329981929 OFOAQAVVKLHXHJ-HNNXBMFYSA-N 342.447 2.288 30 40 EEEB N#Cc1ccc(N2CCC(NC(=O)c3ccc(F)c(C#N)c3)CC2)nc1 225453795 JMGABMSIUBKWNB-UHFFFAOYSA-N 349.369 2.363 30 40 EEEB CCc1noc(CC)c1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 87236761 JHSDYESEHKPMCX-INIZCTEOSA-N 332.448 2.034 30 40 EEEB Cc1n[nH]c(/N=C(\O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 96410113 AMOHLLCTRJRYOT-LLVKDONJSA-N 332.383 2.051 30 40 EEEB CC(C)CS(=O)(=O)CC(=O)N(C)c1cc(Cl)ccc1C#N 96476216 QVMUQZCPNAWQKZ-UHFFFAOYSA-N 328.821 2.245 30 40 EEEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1 205668515 HWPMVYNSZGLEBI-UKTHLTGXSA-N 333.365 2.461 30 40 EEEB Cc1nc(C#N)c(C#N)n1CC(=O)N(C)[C@@H]1CCCc2ccccc21 155311253 WAWQKYZWOTVVMY-QGZVFWFLSA-N 333.395 2.471 30 40 EEEB COc1cc(OC)c(OC)cc1/C=N/N=C1\C(=O)Nc2ccccc21 994343 VEABIUWDPAEGFT-VXLYETTFSA-N 339.351 2.488 30 40 EEEB CCc1n[nH]c(=S)n1/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 8182900 WGYWZNPILBOTTG-VGOFMYFVSA-N 337.361 2.311 30 40 EEEB O=C(O)c1ccc(/C=N/Nc2nnc(-c3ccccc3)c(O)n2)cc1 27233240 WXZFKSZHRQYBPV-VCHYOVAHSA-N 335.323 2.388 30 40 EEEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 3429319 YIXUKCXFQVLWLS-UHFFFAOYSA-N 337.335 2.334 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 24202419 AVHTYXLRFBBCFP-UHFFFAOYSA-N 334.339 2.060 30 40 EEEB COc1cc(C(=O)n2ncc(C#N)c2N)ccc1OC1CCCC1 57556576 LANWZSQLMFDTOC-UHFFFAOYSA-N 326.356 2.355 30 40 EEEB CCCS(=O)(=O)c1nnc(/N=C(\O)c2cccc(OC)c2)s1 27664696 QCJWDKZOHWKSSR-UHFFFAOYSA-N 341.414 2.367 30 40 EEEB COCc1ccc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 14186246 PEUBAUDNYVVBHW-SCLBCKFNSA-N 332.400 2.433 30 40 EEEB N#Cc1ccc(COC(=O)CN2C(=O)CCOc3ccccc32)cc1 6585159 FZALNIORBRUXEY-UHFFFAOYSA-N 336.347 2.417 30 40 EEEB N#Cc1ccsc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O 8253040 JWAFOJTWOAQLRV-UHFFFAOYSA-N 331.397 2.268 30 40 EEEB CC/N=C(/NCCOC)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 81984404 NOXGRIVEAKWMSG-HOCLYGCPSA-N 338.521 2.333 30 40 EEEB CC[C@H](C)N/C(=N/Cc1ccccc1)NC[C@H]1CCN(CCOC)C1 72271835 CHPYBNWEEVYJKO-PKOBYXMFSA-N 346.519 2.489 30 40 EEEB C=CCN1C(=O)[C@@H](CC)S/C1=N/S(=O)(=O)c1cccs1 4538114 FVPGUXKGRQWVHQ-TWLKNAOBSA-N 330.456 2.333 30 40 EEEB CNC(=O)c1cccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)c1 78948072 AIBOGKLDVVXQQP-AWEZNQCLSA-N 332.363 2.423 30 40 EEEB CCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC 1564765 PSVWPQSBLDYCRN-SFQUDFHCSA-N 334.397 2.406 30 40 EEEB Cc1cccc(OC[C@@H](O)CNC(=O)Nc2cccc(C#N)c2)c1 58014563 CIKCCEGWVHEHGX-INIZCTEOSA-N 325.368 2.428 30 40 EEEB CN(c1cccc(C#N)c1)S(=O)(=O)c1cccc2nsnc12 63346535 NWULOBMJJRLTSL-UHFFFAOYSA-N 330.394 2.388 30 40 EEEB O=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1)NO 72317457 NBHWQUHEYOFBKG-VQHVLOKHSA-N 342.376 2.397 30 40 EEEB in-vitro Cc1cccc2c(N[C@@H]3CCCN(S(C)(=O)=O)C3)c(C#N)cnc12 96429252 YNJPLIPWZMJQIC-CQSZACIVSA-N 344.440 2.251 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](N2CCCC2)C1 71886450 SBINZQHUZHWJKQ-MRXNPFEDSA-N 343.427 2.032 30 40 EEEB Cc1ccc(F)c(S(=O)(=O)N(CCC#N)C[C@@H]2CCOC2)c1 71856546 FMHJQEDRGUVFHY-ZDUSSCGKSA-N 326.393 2.075 30 40 EEEB N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(N)=O)CC2)nc1 70038382 GEHPCXNIBCGCRQ-INIZCTEOSA-N 327.432 2.493 30 40 EEEB CCN(CC)CCC[C@@H](C)NC(=O)CN(C)c1ccc(C#N)cn1 69438161 XERJKPLSRJLLCD-OAHLLOKOSA-N 331.464 2.016 30 40 EEEB N#C[C@@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218436287 RHTDWAWNXDHRHS-HLLBOEOZSA-N 345.351 2.360 30 40 EEEB COC(=O)[C@@]1(F)CCN(Cc2ccc(C#N)cc2Br)C1 195552924 OPIYHZSCZSEMFD-CQSZACIVSA-N 341.180 2.408 30 40 EEEB Cn1cnc2cc(/C(O)=N/S(=O)(=O)c3ccc(F)cc3)ccc21 96494946 MKTAQEMUBOOYFH-UHFFFAOYSA-N 333.344 2.406 30 40 EEEB CCn1cnnc1CN/C(=N/C)N[C@H](C)c1cc2ccccc2o1 95397594 QYIQLMTTWAONQX-GFCCVEGCSA-N 326.404 2.470 30 40 EEEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(C)C(C)(C)C#N 28724832 SGUCMNZUVNBYMI-AWEZNQCLSA-N 340.431 2.021 30 40 EEEB O=C(OCC#Cc1ccccc1)c1cccc(-n2nc(O)ccc2=O)c1 61069509 QBBXRNLWAIQSLJ-UHFFFAOYSA-N 346.342 2.147 30 40 EEEB C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCCCC3=O)cc2C1=O 4789678 KPMMBNKVPNZGDX-OAHLLOKOSA-N 327.336 2.137 30 40 EEEB CCNc1ncc(C(=O)NCCOc2ccc(CC#N)cc2)s1 95429496 JNQYDBSDARLCQT-UHFFFAOYSA-N 330.413 2.450 30 40 EEEB CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 96493077 GLECPDHTIFRWSQ-GOSISDBHSA-N 344.434 2.019 30 40 EEEB Cc1ccc(C)c(OCC(=O)NC2(C#N)CCC3(CC2)OCCO3)c1 69700824 OOIVHTNFGYANNR-UHFFFAOYSA-N 344.411 2.378 30 40 EEEB Cc1cc([C@@H]2CCCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n[nH]1 89599018 JPOWTANSJZRTNB-SJORKVTESA-N 340.427 2.209 30 40 EEEB CC1=NN(C(=O)COc2ccccc2C#N)[C@](O)(c2ccccc2)C1 408564190 VYXWERIJBNQRKU-LJQANCHMSA-N 335.363 2.391 30 40 EEEB N#Cc1nccnc1N1CC[C@H](Oc2ccncc2Br)C1 1776009228 XYXIBFIYXFJRCX-JTQLQIEISA-N 346.188 2.163 30 40 EEEB C=CCN1C(=O)[C@](O)(CC(=O)c2c(C)n[nH]c2C)c2ccccc21 565345 XSRVNHCPDFJRHP-SFHVURJKSA-N 325.368 2.020 30 40 EEEB C=CCc1cc(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)cc(OC)c1OC 78894892 YYUFGDIXPYKQOD-BBRMVZONSA-N 332.444 2.454 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CC(=O)N(C(C)C)C2)c(C)c1 48476344 VYWYLBQECAOGIL-CYBMUJFWSA-N 338.429 2.206 30 40 EEEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C(\O)C[C@H]1CCCO1 48451244 OZCNBQVTNQGAHA-LLVKDONJSA-N 328.346 2.118 30 40 EEEB COc1ccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)cc1 13570343 HWCIIDXBQOCXHR-VXLYETTFSA-N 334.335 2.062 30 40 EEEB C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc(C)c([N+](=O)[O-])c1 6846498 WRBDSJMTKWMOBM-HNEYUBDGSA-N 336.417 2.270 30 40 EEEB C=CCN1CCN(c2nc(C)c3c(c2C#N)CC(C)(C)OC3)CC1 9481802 SCTYMDBONHDCMZ-UHFFFAOYSA-N 326.444 2.421 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 7652148 VOABAXKZMDLNQH-IWAYRVGRSA-N 345.355 2.206 30 40 EEEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)c(F)c1 69284217 JRQIXGFGXSRANP-ZJUUUORDSA-N 349.355 2.194 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 78078758 LSSAMRCIYKCHHY-HXUWFJFHSA-N 349.434 2.418 30 40 EEEB Cc1c(CNc2ccc(C(=O)N3CCOCC3)cc2)cc(C#N)n1C 225587273 MGJJGUIGPZJRLW-UHFFFAOYSA-N 338.411 2.290 30 40 EEEB C[C@H](CC#N)N(C)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 86293139 IWVIWSUOWJWJDR-CYBMUJFWSA-N 333.411 2.343 30 40 EEEB C=C(Cl)CS(=O)(=O)NCCc1ccc(-n2cccn2)cc1 195578727 RQQKEFSLHRSPOP-UHFFFAOYSA-N 325.821 2.087 30 40 EEEB C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1c(C)noc1C)C2 96229909 QZLKWZKRCWISNH-SFHVURJKSA-N 331.416 2.465 30 40 EEEB CN1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1C(C)(C)C 585127206 SSDHIKYWZGNPOG-ROUUACIJSA-N 338.455 2.429 30 40 EEEB C#CCNC(=O)c1ccc(NCC(=O)Nc2ccccc2CC)nc1 72281384 AARBXIHPFKSNSC-UHFFFAOYSA-N 336.395 2.058 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)c4cc[nH]c4)C3)CC2=O)cc1 2055750855 FJXYLVNDTHIMHH-LJQANCHMSA-N 334.379 2.156 30 40 EEEB C[C@@H]1CN(C(=O)CCNc2snc(Cl)c2C#N)C[C@@H](C)O1 52445519 CLBCJDPCTBJHOC-RKDXNWHRSA-N 328.825 2.106 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2(C#N)CCCC2)CC1 47460741 QQNSLKQPPUZOLU-UHFFFAOYSA-N 339.399 2.156 30 40 EEEB CCc1nc(CN(C)[C@H]2CCN(Cc3ccc(F)cc3C#N)C2)no1 78891523 WTKHGAVGNOVEOY-INIZCTEOSA-N 343.406 2.349 30 40 EEEB CC(=O)/N=C1\NC(=O)/C(=C\c2cc(Cl)ccc2OC(C)=O)S1 23410842 WINFJOJZXQRLOX-WUXMJOGZSA-N 338.772 2.372 30 40 EEEB CC(C)c1nc(OCC(=O)N2CCOCC2)c(C#N)c2c1CCCC2 13689300 DNGHJZQOMAGPHT-UHFFFAOYSA-N 343.427 2.193 30 40 EEEB CNc1snc(C)c1C(=O)OCC(=O)Nc1sccc1C#N 16554026 VAFPYRMGPHHQRA-UHFFFAOYSA-N 336.398 2.222 30 40 EEEB Cc1cc([C@@H]2CCCN2C(=O)CN(C)c2ccc(C#N)cn2)on1 71827036 FWUHCPJFAPOEPI-AWEZNQCLSA-N 325.372 2.050 30 40 EEEB C[C@H](c1ccccc1F)N1CCN(CC(=O)N(C)C(C)(C)C#N)CC1 69350063 AUGCGUXXKGNUEJ-OAHLLOKOSA-N 346.450 2.265 30 40 EEEB C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 69367757 DPJIXIHIDJXSFS-FVQBIDKESA-N 349.452 2.000 30 40 EEEB C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)CC1 72123109 FEKFUWWVNCCROX-SQWSIXGCSA-N 346.423 2.271 30 40 EEEB N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2F)cc1 548232864 XIUJANYEDPFFIV-HNNXBMFYSA-N 348.355 2.192 30 40 EEEB N#C[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218407756 ZWSWMGIBNDREMA-IXDOHACOSA-N 331.368 2.268 30 40 EEEB C/C=C/C[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 225711513 MPHTZNHKWFZHBA-KXMPLOMGSA-N 348.346 2.182 30 40 EEEB C[C@H](C1CC1)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 96492669 BPPUYJRWLAJTKN-ZBFHGGJFSA-N 346.500 2.187 30 40 EEEB COC(=O)c1nn(C[C@@H](C#N)CCC#N)c(C)c1Br 95438817 NABCJIKWGXGHGI-SECBINFHSA-N 325.166 2.184 30 40 EEEB COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(C(C)C)cc2)N2NN=NC2=N1 2503039 UYZAFFJHUDOOAW-OAHLLOKOSA-N 341.371 2.424 30 40 EEEB N#Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1 12900153 BWTXXYIPVWBVMB-LJQANCHMSA-N 335.407 2.362 30 40 EEEB N#Cc1ccc(-c2noc(CCCNC(=O)c3ccccc3)n2)nc1 90099844 BKXCUGCFRLVOKU-UHFFFAOYSA-N 333.351 2.366 30 40 EEEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN2CCCC[C@@H]2C1 71839822 YWRNEGBHFZNRIR-QGZVFWFLSA-N 343.475 2.043 30 40 EEEB CNC(=O)[C@H](CC(C)C)NC(=O)CCCCOc1cccc(C#N)c1 71896035 JEMPHFJCLQNZDB-KRWDZBQOSA-N 345.443 2.384 30 40 EEEB Cc1cnn(C[C@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)c1 69445541 FAQQGJZFJDGWAR-QGZVFWFLSA-N 335.411 2.217 30 40 EEEB C#CCOc1ccc(N(C)C(=O)c2[nH]ncc2Br)cc1 72293523 JVAPDJAGFXBEDF-UHFFFAOYSA-N 334.173 2.461 30 40 EEEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218440871 SSIJPRGSGPHKOC-ZOBUZTSGSA-N 345.351 2.360 30 40 EEEB N#Cc1ccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)cc1 81015284 PVGWISYSPUIORL-UHFFFAOYSA-N 327.409 2.158 30 40 EEEB C=CCn1c(N)nnc1SCc1nnc(-c2cccc(C#N)c2)o1 96424862 PEZVXFMNOXYIJT-UHFFFAOYSA-N 339.384 2.260 30 40 EEEB C=CC[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@@H](C(=O)OCC)[C@H]3C=C[C@]21O3 245380195 SWEOKISNCSPDIY-YNIGFRRXSA-N 339.391 2.481 30 40 EEEB N#Cc1ccnc(OCC2CCN(C(=O)c3cncc(F)c3)CC2)c1 1775995579 AEKMHQBLESPUMD-UHFFFAOYSA-N 340.358 2.419 30 40 EEEB Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c1F 163766206 XVIZZTZCQZOLAZ-UHFFFAOYSA-N 340.358 2.410 30 40 EEEB COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 5165123 IOFMVSVRZIZBDV-UHFFFAOYSA-N 325.368 2.443 30 40 EEEB C=CCNC(=O)Cn1c(CO)cnc1SCc1cccc(F)c1 9827536 DSOPJWUFEKDLCU-UHFFFAOYSA-N 335.404 2.109 30 40 EEEB C=CCO[C@H](C)C(=O)Nc1nc(C)c(-c2nnc(S)n2C)s1 58344130 YYGQTTSPIMDGEM-MRVPVSSYSA-N 339.446 2.065 30 40 EEEB COc1ccccc1CCN(C)S(=O)(=O)c1cccc(C#N)c1 65591922 KXGHZDURTLEGFG-UHFFFAOYSA-N 330.409 2.430 30 40 EEEB C=CCNC(=O)c1nc(C(=O)Nc2ccc(OC)cc2OC)cs1 65536497 QWPCTVZDPQOUGU-UHFFFAOYSA-N 347.396 2.328 30 40 EEEB C=CCn1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)c1C 7534683 VDBDAKDRIXAWEK-UHFFFAOYSA-N 340.339 2.115 30 40 EEEB CC(C)C(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 97144738 OHBILCBMRGZKMW-ZDUSSCGKSA-N 330.388 2.455 30 40 EEEB N#C[C@@H](c1ccccc1)N1CCN(CCOC[C@H]2CCCO2)CC1 88524489 USZLDFKMUSEFRN-MOPGFXCFSA-N 329.444 2.064 30 40 EEEB CS(=O)(=O)c1cccc(N2CCC[C@H](N3CCCC3)C2)c1C#N 95997094 IFOHQMADVCGORA-AWEZNQCLSA-N 333.457 2.026 30 40 EEEB N#Cc1ccccc1CN(CC(=O)N1CCCC1)C[C@@H]1CCCO1 76048888 ZTIKADNBBHMFMX-SFHVURJKSA-N 327.428 2.162 30 40 EEEB CC(C)[C@@H](NC1CC(C#N)(c2ccccc2)C1)C(=O)N1CCOCC1 127580192 JRRLPSRQBLHHEB-QPIRBTGLSA-N 341.455 2.083 30 40 EEEB Cc1nnsc1C(=O)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 225559011 BMLHFXQJCPAEKX-CYBMUJFWSA-N 341.440 2.237 30 40 EEEB C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)NCc2cccnc2)O1 96186080 KFMKLTZZAJXFOR-ULQDDVLXSA-N 331.416 2.116 30 40 EEEB N#C[C@]1(CO)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 252516372 SGISAVLCPCVIGQ-ZACQAIPSSA-N 331.368 2.268 30 40 EEEB C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2C)C1 32779911 ZTYRLLZOVBDUKN-NSHDSACASA-N 337.217 2.413 30 40 EEEB C=CCNC(=S)N/C=C(/C(C)=O)C(=O)Nc1ccc(Cl)cc1 16958473 HVXIPDPOWTXUIJ-LCYFTJDESA-N 337.832 2.402 30 40 EEEB C=CCOc1ccc(C(=O)N2CC[C@H]3CN(C)CCO[C@@H]3C2)cc1 1565547521 JTAGUSWONFBTOC-FUHWJXTLSA-N 330.428 2.044 30 40 EEEB CCOC(=O)c1s/c(=N\C(=O)c2ccc(C#N)cc2)n(C)c1C 100838426 UZIPRZHOXCHCBC-VLGSPTGOSA-N 329.381 2.185 30 40 EEEB COC(=O)c1cc(-c2cn(C)nc2C)nc2c1c(C)nn2CCC#N 12396329 BHJMAADWUQMGJJ-UHFFFAOYSA-N 338.371 2.149 30 40 EEEB COC(=O)CCN(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 58332227 HAGOWLRHFKIJFG-LJQANCHMSA-N 345.443 2.106 30 40 EEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 101305841 TZHILZQQHPRLHL-SAFUZZNQSA-N 338.454 2.006 30 40 EEEB CS[C@@H]1C(C(=O)c2ccco2)=C(CC(=O)O)C(=O)N1CC(C)C 62716437 ULRGIGGHOYJRPN-MRXNPFEDSA-N 337.397 2.421 30 40 EEEB Cc1c(C(N)=O)sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C#N 2763446 RJMLMYSKLRSYNV-UHFFFAOYSA-N 344.352 2.117 30 40 EEEB N#Cc1ccc(OCC(=O)N[C@@H](CC(=O)O)c2cccs2)cc1 13389431 HIWTVZGPAIEASA-ZDUSSCGKSA-N 330.365 2.331 30 40 EEEB COc1ccc(C(=O)[C@H](C#N)c2nnc(-c3ccccc3)n2C)cn1 66548379 IRSUOQRNAPMLDS-AWEZNQCLSA-N 333.351 2.376 30 40 EEEB C[C@@H](C#N)Sc1nnc(N2CCOCC2)n1Cc1ccccc1 7073388 GQROCTBAPSRNFK-ZDUSSCGKSA-N 329.429 2.167 30 40 EEEB C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCC(=O)NC1 96416966 SHQZLDHJYDKXGC-NSHDSACASA-N 342.317 2.279 30 40 EEEB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)NC1(C#N)CCCCC1 16290776 SONLKJGFIRTMRN-NSHDSACASA-N 336.465 2.251 30 40 EEEB N#Cc1cccc(OCCCCC(=O)NCCC(=O)N2CCCC2)c1 71894018 XVUDNRBHBITAOS-UHFFFAOYSA-N 343.427 2.236 30 40 EEEB Cc1nsc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n1 75103847 QKJAFNQMHKSDMA-UHFFFAOYSA-N 328.401 2.072 30 40 EEEB CN(/C(N)=N/CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CC1 195559348 LAQWLKIGAOWRDF-UHFFFAOYSA-N 337.489 2.167 30 40 EEEB C[C@@H]1CCC[C@H](O[C@H](C)C(=O)NCCNc2ncccc2C#N)C1 195530372 HUUOJTJSPLEEQA-FMKPAKJESA-N 330.432 2.465 30 40 EEEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc(OC)cc1 96042031 WVEWFUKQSXNDEQ-JENIJYKNSA-N 331.412 2.199 30 40 EEEB C=CCN(Cc1cccs1)S(=O)(=O)N1C[C@H](C)OC[C@H]1C 96427656 GBLCBJQFKGXBHW-OLZOCXBDSA-N 330.475 2.090 30 40 EEEB CCCN1CCCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1=O 252491444 LMQUREQADHMDSB-QGZVFWFLSA-N 327.428 2.230 30 40 EEEB C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O 4488323 XNWCITUFVCNKRD-CYBMUJFWSA-N 347.396 2.224 30 40 EEEB N/C(=N/OCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 23714046 VXNPVKFZSJHFSQ-UHFFFAOYSA-N 341.367 2.124 30 40 EEEB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cccc(C#N)c1)C2 306127295 FUOFAGWYWJSUCP-MRXNPFEDSA-N 327.428 2.131 30 40 EEEB Cc1nc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1C#N 69775634 IKGAZASMFAERIV-QGZVFWFLSA-N 334.379 2.139 30 40 EEEB N#Cc1ccc(OC[C@@H](O)COc2cc(F)ccc2[N+](=O)[O-])cc1 8726195 FUKJKRZHFWWZHI-CYBMUJFWSA-N 332.287 2.424 30 40 EEEB N#Cc1nc(N(CC(=O)N2CCCC2)C[C@H]2CCCO2)ccc1Cl 95430921 YHUBXBVATHKZCN-CYBMUJFWSA-N 348.834 2.214 30 40 EEEB N#Cc1ccc(O)c(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c1 521398521 LUKUSFNMRNCBGP-UHFFFAOYSA-N 342.420 2.161 30 40 EEEB COc1ccccc1/C(C)=C/C(O)=N/S(=O)(=O)c1cnn(C)c1 67600756 FSLWZYWFJZCIBE-DHZHZOJOSA-N 335.385 2.177 30 40 EEEB C=CCn1c(=O)n(Cc2ccc(OC)cc2)c(=O)c2sccc21 1888961595 YMOAVUWBOOOTOP-UHFFFAOYSA-N 328.393 2.468 30 40 EEEB COc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2nccs2)ccc1O 551720 IYHIAWPJCJFCFC-CYBMUJFWSA-N 346.364 2.346 30 40 EEEB CCN1/C(=N\C(=O)CCC2CCCC2)S[C@@H]2CS(=O)(=O)C[C@H]21 101314940 XFBWWMYAILUIFX-QVDVFPETSA-N 344.502 2.074 30 40 EEEB CC(C)Cn1nnnc1S[C@H](C)C(=O)Nc1ccc(C#N)cc1 12852513 BNGHKAFJQPPVHF-LLVKDONJSA-N 330.417 2.320 30 40 EEEB CN(C(=O)COC(=O)c1n[nH]c2ccccc12)C1(C#N)CCCCC1 5360875 KWPFTIFCKPXBMM-UHFFFAOYSA-N 340.383 2.405 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(Cc2csc(-c3ccoc3)n2)c1 71888021 QLMIYVFRELVESM-UHFFFAOYSA-N 341.348 2.271 30 40 EEEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)CCc1ccccc1 71803634 HJNZNIYBOAOHKB-DZGCQCFKSA-N 341.429 2.100 30 40 EEEB Cn1cc([C@H]2C[C@H]2C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 71841380 MBCRZUFOIYOMCH-QZTJIDSGSA-N 349.438 2.134 30 40 EEEB C#CCNC(=O)c1ccc(NCc2ccc(-n3cccn3)cc2)nc1 83812661 QDRITVCUUUDZKW-UHFFFAOYSA-N 331.379 2.242 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)N[C@H](CO)Cc2ccccc2)c1 84525688 MJYMOBHITCUFST-INIZCTEOSA-N 327.359 2.100 30 40 EEEB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1/C(O)=N/c1nc(C(F)(F)F)n[nH]1 95393235 WEHZRQWFGZAKIU-HRDYMLBCSA-N 345.325 2.449 30 40 EEEB COc1ccc(C#N)cc1CN1CCCC[C@H](N2CCN(C)CC2)C1 95995351 BTFMZSIMTCSWCA-IBGZPJMESA-N 342.487 2.169 30 40 EEEB C/N=C1\S[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N1C 21850469 NVZJXSARVOWIQW-JITTUONFSA-N 329.784 2.367 30 40 EEEB C#CCCN1CCN(C(=O)[C@H](C)CC(=O)c2ccccc2F)CC1 79869938 XAMGIQGJVMMQQW-OAHLLOKOSA-N 330.403 2.202 30 40 EEEB C#CCCCC(=O)NC[C@@H](N(C)C(=O)CCCC#C)C(F)(F)F 585131153 NBNAUSGUQIVJTC-CYBMUJFWSA-N 330.350 2.099 30 40 EEEB CN1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](c2ccccc2)C1 13113424 HKAFZJHBXSYNKH-QGZVFWFLSA-N 341.436 2.236 30 40 EEEB CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/n1cnnc1 100193289 RHWZNMHOADTXOR-XUGXDJALSA-N 329.385 2.042 30 40 EEEB CCc1nc2ccccc2n1CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1 103717579 GEWFGBPAECBTIW-CYBMUJFWSA-N 347.378 2.341 30 40 EEEB CC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2ccc(C)c(C)c2[nH]c1=O 33760928 KZMCSWABALTQKE-INIZCTEOSA-N 325.368 2.362 30 40 EEEB COc1cccc([C@H](C#N)NC(=O)CCc2ccncc2)c1OC 78510838 WQBYSJKJZFLTMI-HNNXBMFYSA-N 325.368 2.412 30 40 EEEB Cc1cc(C)n2nc(CCCNC(=O)N[C@H](C)C(C)C)c(C#N)c2n1 43069974 HCOWSAPHAJXOLN-CQSZACIVSA-N 342.447 2.494 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 3374578 UWXFBAKJUROQAP-UHFFFAOYSA-N 340.335 2.356 30 40 EEEB N#Cc1c(F)cccc1NCCCN1CCN(c2ncccn2)CC1 29584876 FBKXGJWUMLMSFO-UHFFFAOYSA-N 340.406 2.112 30 40 EEEB Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OCc2ccccc2)c1 3946847 NMTDGFDXNALCFQ-YBFXNURJSA-N 335.367 2.498 30 40 EEEB N#Cc1ccc(CN2CCN(c3nnc(C4CC4)s3)CC2=O)cc1 95428499 YXLLEWVMDTVHOD-UHFFFAOYSA-N 339.424 2.136 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1 7726667 PXNBLINJQUETLL-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB C[C@@H](CNC(=O)C1(C#N)CCCC1)N1CCN(c2ccccc2)CC1 72009070 PVPMFOBRGLCGGI-KRWDZBQOSA-N 340.471 2.397 30 40 EEEB N#Cc1ccc(NCC(=O)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 69530262 IGJOSZAOADKVLV-UHFFFAOYSA-N 336.351 2.463 30 40 EEEB COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccc(O)c1 49547800 GOKXUCZNKSKSEI-INIZCTEOSA-N 339.351 2.397 30 40 EEEB C=CC[C@H](CC)NC(=O)NCc1cnc(N2CCOCC2)c(F)c1 225584039 VNDPDUSLRAIMRJ-AWEZNQCLSA-N 336.411 2.211 30 40 EEEB COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(-c2ccccc2C#N)cc1 195578106 GILXXRKIRBKCBX-PKOBYXMFSA-N 336.391 2.333 30 40 EEEB CCN(CC#N)S(=O)(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 1615585585 JKAPZEUDWFFPHR-QWHCGFSZSA-N 343.246 2.480 30 40 EEEB CC1(C)OB(c2cc(Br)c(O)c([N+](=O)[O-])c2)OC1(C)C 604252045 LFFRGJFNBUEIRK-UHFFFAOYSA-N 343.970 2.362 30 40 EEEB CCCN(CCC)C[C@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1 1684426 NHHQAESAQPUBLU-WFSQQTBHSA-N 338.364 2.465 30 40 EEEB CC(=O)N[C@@]1(c2nc(C)no2)CCN(c2cccc(Cl)c2C#N)C1 591606806 BGMKGLPKHCFWPZ-INIZCTEOSA-N 345.790 2.145 30 40 EEEB C=CCN1C(=O)C(=O)N(Cc2coc(-c3ccc(C)cc3)n2)C1=O 12916981 RNTMTPGSUBQJTO-UHFFFAOYSA-N 325.324 2.127 30 40 EEEB COC(=O)c1c(F)cc(C#N)cc1N[C@@H](CO)Cc1ccccc1 79058006 SOYYNKYBFQUEPZ-CQSZACIVSA-N 328.343 2.499 30 40 EEEB CN1CCN(Cc2cccc(NC(=O)C3(C#N)CCCC3)c2)CC1 57273989 UISDJVCWDMANRN-UHFFFAOYSA-N 326.444 2.456 30 40 EEEB N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H](C(F)(F)F)C1 44971941 KOFACJZXVFUQFA-GFCCVEGCSA-N 341.337 2.349 30 40 EEEB COc1ccc(CCNC(=O)[C@@H](C)O/N=C(\N)c2ccccc2)cc1 21700797 IZYYRYSGIHAFCD-CQSZACIVSA-N 341.411 2.080 30 40 EEEB N#Cc1ccc(COC(=O)CCN2C(=O)COc3ccccc32)cc1 6940681 VAHPPUMPVJDHKV-UHFFFAOYSA-N 336.347 2.417 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 80793586 KUGIEXKCZNVFJU-AWEZNQCLSA-N 339.374 2.020 30 40 EEEB COc1ccc(CCN/C(N)=N/CCc2ccc(O)cc2)cc1OC 70007148 XIBXSKURENQYBR-UHFFFAOYSA-N 343.427 2.099 30 40 EEEB CC/N=C(\NCc1cccc(NC(=O)COC)c1)NCc1ccco1 69741808 PVXRUTQEEVLFRJ-UHFFFAOYSA-N 344.415 2.120 30 40 EEEB C=CCNC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409133265 NISYBEAOQOURMD-UHFFFAOYSA-N 330.369 2.257 30 40 EEEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCCCC 217514730 RUNZUEBHZLHAKA-UHFFFAOYSA-N 326.418 2.451 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(Cc4nccs4)C3)C2)n1 96047666 PYNPSNMPNJYAJW-RHSMWYFYSA-N 341.440 2.255 30 40 EEEB N#CC1(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CCCC1 593782618 OAWFTUSHYXOXMJ-UHFFFAOYSA-N 336.395 2.110 30 40 EEEB C=CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908698 KKHJGBIRUSYQPY-SIIHOXLZSA-N 346.358 2.039 30 40 EEEB C#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(OC)ccc21 100875951 NQCSHQVLRZYKDV-NXVVXOECSA-N 344.421 2.246 30 40 EEEB CN(C(=O)CN1CCN(c2ccccc2)CC1)C1(C#N)CCCCC1 57290125 PMKDUESLASABFA-UHFFFAOYSA-N 340.471 2.493 30 40 EEEB Cc1nc([C@@H]2CCCN(C(=O)COc3cccc(C#N)c3)C2)no1 72231784 AQCQLSHMZFJEAU-CQSZACIVSA-N 326.356 2.035 30 40 EEEB CCCCCn1/c(=N/C(C)=O)c(C#N)cc2c(=O)n3ccccc3nc21 2411737 DFRYPIGLROSKEQ-HEHNFIMWSA-N 349.394 2.158 30 40 EEEB CCSCC/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48470373 FNWCDKMKSIIMSK-UHFFFAOYSA-N 331.415 2.246 30 40 EEEB N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 3592925 HGACCPPDYCBCJX-UHFFFAOYSA-N 340.383 2.142 30 40 EEEB CC(=O)c1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)OCO3)cc1 46929466 SMLYAQOMLFXSLJ-UHFFFAOYSA-N 347.348 2.311 30 40 EEEB CC[C@H](CNC(=O)c1ccc(C#N)cc1)NC(=O)c1ccc(C#N)cc1 65490591 MBWBYZLPSXYQSX-GOSISDBHSA-N 346.390 2.368 30 40 EEEB COc1cc(C#N)c(/N=C/c2c(CO)cnc(C)c2O)cc1OC 67240604 RWDHBSYILOAGGC-DNTJNYDQSA-N 327.340 2.227 30 40 EEEB C#CCNC(=O)CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 71892994 FYQUVWYAMCHZLM-LJQANCHMSA-N 326.371 2.263 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]2CCCO2)cc1 69282243 CSYKIHZXFJIZAP-OLZOCXBDSA-N 327.402 2.224 30 40 EEEB O=S(=O)(OCC(F)(F)F)c1cc2c(cc1Cl)OCCO2 69595455 IZUKLEAQRFFDSR-UHFFFAOYSA-N 332.683 2.379 30 40 EEEB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccccc2)NC(=O)N1 8718078 KCTIIDKPKPGDOX-ZDUSSCGKSA-N 342.376 2.412 30 40 EEEB C/N=C(/NCCCN1CCCC1)NCc1ccn(-c2ccccc2)n1 195545888 CBSLTLVAMMXVPQ-UHFFFAOYSA-N 340.475 2.023 30 40 EEEB Cc1cccc(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)n1 198023470 RDCSNFYTEBVXHS-UHFFFAOYSA-N 339.204 2.337 30 40 EEEB C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 96411335 LVVFCECIBYUMAR-YJBOKZPZSA-N 327.428 2.190 30 40 EEEB Cc1ccc(OCC/C(O)=N/S(=O)(=O)c2cnn(C)c2)cc1C 48676467 FSICYNZQIHDQIV-UHFFFAOYSA-N 337.401 2.151 30 40 EEEB N#Cc1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 100967969 CQOIPNYHXFJQOD-GASCZTMLSA-N 325.368 2.062 30 40 EEEB C=C(C)CNC(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 156658451 YPCSULXMJHQEHJ-UHFFFAOYSA-N 331.416 2.047 30 40 EEEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O 100895812 PCMNADZKATXNNI-VJSMGTLGSA-N 330.406 2.244 30 40 EEEB N#CC(C#N)/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1 104123267 RLXWNTHNSXQSLK-VHEBQXMUSA-N 326.341 2.382 30 40 EEEB C=CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccc(F)cc1OC 107716515 DXKXNIFTDQDCET-TXPKVOOTSA-N 349.402 2.338 30 40 EEEB C=CCNC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 12917957 XGSKBTSXXYREOO-GFCCVEGCSA-N 335.477 2.386 30 40 EEEB CCc1noc([C@@H](C)N2CCCN(c3ncccc3C#N)CC2)n1 64632894 ZQSPNGCHTHJOCZ-CYBMUJFWSA-N 326.404 2.172 30 40 EEEB C[C@@H](O)CN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 71871091 NCQOFKKJDPGOFU-MRXNPFEDSA-N 349.434 2.364 30 40 EEEB N#Cc1ccc(N2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)nc1 71821765 UPATZHKQJACWQO-QGZVFWFLSA-N 344.365 2.087 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c(Cl)c1 97053772 BKNUFSSHDPHGSJ-UHFFFAOYSA-N 346.746 2.474 30 40 EEEB COC[C@@H]1CN(Cc2ccc(C#N)cc2Br)CCO1 181119924 JZMPWEKOYCDPIR-ZDUSSCGKSA-N 325.206 2.168 30 40 EEEB NC(=O)/C(CCCCC(=O)O)=N/Nc1ccc(Br)cc1 585152522 XLTBVGBGLJASIT-GZTJUZNOSA-N 342.193 2.347 30 40 EEEB C/N=C1\S/C(=C\c2cn(CC(=O)OC)c3ccccc23)C(=O)N1C 13402670 BZGBLPFHHQXHSJ-AVTAEFAWSA-N 343.408 2.346 30 40 EEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)c1OC 17071225 HGNLXMZZPNMQLU-GRKPVSFDSA-N 340.379 2.235 30 40 EEEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2ncccc2c1=O 31614847 GPXUEAFQANQJST-GFCCVEGCSA-N 346.456 2.230 30 40 EEEB C=CCc1c(O)nc(SCC(=O)Nc2ccc(C)cc2)[nH]c1=O 503420 OSVRFWCSTGQRCY-UHFFFAOYSA-N 331.397 2.243 30 40 EEEB C#CCN(C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1)c1nccs1 78972502 GLKXYGXSTJQOPA-UHFFFAOYSA-N 340.412 2.164 30 40 EEEB N#Cc1ccc(CN2C(=O)c3ccccc3CS2(=O)=O)c(F)c1 58289219 QEGAVAHHUVEYCX-UHFFFAOYSA-N 330.340 2.183 30 40 EEEB N#Cc1ccc(N2CC[C@H](OC(=O)c3n[nH]c4ccccc34)C2=O)cc1 28679102 VIKSCUOSHXYPBM-INIZCTEOSA-N 346.346 2.397 30 40 EEEB COc1ccc(C2=CCN(C(=O)CN(C)C[C@H](C)C#N)CC2)cc1 65519353 QLFOCGGUCUAWQA-OAHLLOKOSA-N 327.428 2.402 30 40 EEEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 6637471 LOBHJAJJWHJQSY-UHFFFAOYSA-N 338.319 2.125 30 40 EEEB C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC)cc1 66605112 PBCSZYWTDAFSJK-CQSZACIVSA-N 346.387 2.163 30 40 EEEB C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(CCC)[nH]n2)c1 69737089 VTMZIYQASYEJRI-UHFFFAOYSA-N 348.428 2.079 30 40 EEEB C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1 69772609 KDKCAMHTVYEHAB-YGRLFVJLSA-N 331.759 2.432 30 40 EEEB C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cn[nH]c2)c1 69981068 GIGGZERPYCUVGD-UHFFFAOYSA-N 327.365 2.380 30 40 EEEB CC(C)[C@H](CC#N)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 72310788 BLAOWZORQVCAIZ-OCCSQVGLSA-N 344.367 2.250 30 40 EEEB COc1ccc(O)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c1 26017761 FLPLBQWLMHVCCA-LLVKDONJSA-N 340.335 2.456 30 40 EEEB C#CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(N2CCCC2)nn1 521394795 LQKCUUQRPQZVFY-NSHDSACASA-N 326.322 2.151 30 40 EEEB COc1cc(Cn2cnc(C#N)c2C#N)cc(Br)c1OC 195565561 CQIDBBKNQRBPNN-UHFFFAOYSA-N 347.172 2.454 30 40 EEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)ccc1O 5015428 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HOJMSNCSGAGBQM-WSTZPKSXSA-N 326.440 2.279 30 40 EEEB C/C(=N\O)[C@@H]1C[C@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1(C)C 585120916 WTLFWNOHNRTWKW-MGGMZQQPSA-N 349.475 2.264 30 40 EEEB N#Cc1ccccc1OCCN1CCN(CCOCC2CCC2)CC1 1616031884 AHQAPCRSUNZSMJ-UHFFFAOYSA-N 343.471 2.371 30 40 EEEB N#Cc1cnc2ccc(Cl)cc2c1NCCN1C(=O)CCC1=O 76063107 BMWYHSIRLQRWOY-UHFFFAOYSA-N 328.759 2.321 30 40 EEEB CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1591961 YLYDEZBGUCZTTN-LFIBNONCSA-N 349.368 2.306 30 40 EEEB C=CCN1CC[C@]2(CN(C(=O)c3cc(C4CC4)on3)C[C@H]2C)C1=O 1615287741 DPWZDMQZWQDUQT-KZULUSFZSA-N 329.400 2.049 30 40 EEEB Cc1cccc(OCC(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c1 238961230 YMEIZRKLQIHKIT-QGZVFWFLSA-N 337.379 2.320 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)c(F)c1 377300 FNEAMGZQLBPEED-CYBMUJFWSA-N 335.306 2.429 30 40 EEEB CS[C@@H](C)C(=O)NCCCc1nn2c(C)cc(C)nc2c1C#N 52802187 SYWVDUAXFYRYQU-LBPRGKRZSA-N 331.445 2.018 30 40 EEEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccccc1C 6819981 BKEPXBJNGPWEGT-AXAPSJFSSA-N 327.380 2.251 30 40 EEEB CCN/C(S)=N/N=C\c1cc(Br)c(O)c(OC)c1 55416892 NOZXQJSQXYFPKE-NSIKDUERSA-N 332.223 2.393 30 40 EEEB C=CCn1nnnc1SCC(=O)Nc1nc2ccccc2s1 65536594 LCWMRMGVOXFULL-UHFFFAOYSA-N 332.414 2.200 30 40 EEEB NS(=O)(=O)c1ccc(N/N=C/c2ccc(OC(F)F)cc2)cc1 5754066 PKBOGYOCGBKKBI-GIJQJNRQSA-N 341.339 2.381 30 40 EEEB N#CCCN(CCC#N)C(=O)CN1CCCc2ccc([N+](=O)[O-])cc21 69745123 SKDOHSKUVHQUGL-UHFFFAOYSA-N 341.371 2.003 30 40 EEEB CN([C@@]1(C#N)CCOC1)S(=O)(=O)Cc1ccccc1C(F)(F)F 97165114 JHQMWAVGJWACKN-CYBMUJFWSA-N 348.346 2.150 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 30937124 GSBJBOSKZJBCTK-UHFFFAOYSA-N 345.406 2.326 30 40 EEEB CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cccc(CC#N)c1 78910696 AORZNDGHUGZVOC-MRXNPFEDSA-N 345.468 2.430 30 40 EEEB C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccccc1N1CCCCC1 132141704 IJGYGILMVWPNJN-AWEZNQCLSA-N 328.416 2.376 30 40 EEEB C=CCc1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)c(OC)c1 44192784 RDEFVXKDFLCYFX-UHFFFAOYSA-N 347.411 2.214 30 40 EEEB COc1cc(C#N)ccc1CN1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 595795580 VYECVHHYJJRHBE-BDJLRTHQSA-N 328.372 2.220 30 40 EEEB C=CCN(C(=O)[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 1615585480 AKSORYXMIAJNOY-HNNXBMFYSA-N 338.448 2.171 30 40 EEEB N#Cc1cccc(OCCN2CCC(c3nnc4n3CCC4)CC2)c1 58214661 DHWPMIKQUFYNDC-UHFFFAOYSA-N 337.427 2.354 30 40 EEEB COc1cc(C(=O)ON=C2C=CC(=NO)C=C2)cc(OC)c1OC 5910462 VEFBJSXKHKQUJL-UHFFFAOYSA-N 332.312 2.181 30 40 EEEB COc1ccc(/C=N/CCNS(=O)(=O)c2ccc(C)cc2)cc1 100354494 GTRHPJHTRDHJEV-QGOAFFKASA-N 332.425 2.401 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)c1ccc2c(c1)OCO2 58356898 NGWPKFGLYRPHQI-SFHVURJKSA-N 331.416 2.294 30 40 EEEB N#Cc1cc(Br)ccc1NCC1(C(N)=O)CCOCC1 96008461 WIIYHRONIZNLOK-UHFFFAOYSA-N 338.205 2.015 30 40 EEEB N#Cc1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6507353 LNGLMMYIBNGTEX-UHFFFAOYSA-N 336.395 2.445 30 40 EEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccco1 19927994 YUFVNRWACPEGDV-CQSZACIVSA-N 330.340 2.013 30 40 EEEB N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccco2)c([N+](=O)[O-])c1 71904092 WHUJSOKDAPKWST-OAHLLOKOSA-N 340.339 2.345 30 40 EEEB C#CCCN1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 72293044 AETPUORYBPRSTQ-UHFFFAOYSA-N 347.440 2.291 30 40 EEEB Cc1cc(NC(=O)NC[C@H]2Cc3ccccc3O2)nn1CCC#N 89600880 ARIHERRJTFSWAI-CQSZACIVSA-N 325.372 2.230 30 40 EEEB O=C(COc1ccc(/C=N\c2cccc(O)c2)cc1)N1CCOCC1 409237843 JDOPAWYIPHMSHH-MOSHPQCFSA-N 340.379 2.380 30 40 EEEB C/N=C(/NCc1noc(C)n1)N(C)CCOc1cc(C)cc(C)c1 96461896 SLIPGDOHYMBFQK-UHFFFAOYSA-N 331.420 2.081 30 40 EEEB C=CCOc1ccccc1C(=O)NCc1nc([C@H]2CCCO2)n[nH]1 585090967 GPJHMCAOLBKMPI-CQSZACIVSA-N 328.372 2.151 30 40 EEEB CCN=C1S[C@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CC 2032946157 MDFPOSVOUYLSKV-CYBMUJFWSA-N 335.429 2.364 30 40 EEEB CCCN(CCC)c1nc(/C(N)=N\O)nc(N(CCC)CCC)n1 4693926 NLLFQTUQSCTKOJ-UHFFFAOYSA-N 337.472 2.219 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 100968614 QYJKIMMAXAPBGR-TXEJJXNPSA-N 331.397 2.124 30 40 EEEB COC(=O)c1cccc(S(=O)(=O)/N=C(\O)c2ccccc2F)c1 58188481 JNSFDVPOISTWSV-UHFFFAOYSA-N 337.328 2.306 30 40 EEEB C=CCO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 58405937 JSFYHJWGVCXIHZ-ZDUSSCGKSA-N 338.429 2.001 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(O)cc1 4740733 BAIWOZKQQOZJJW-YFEUJDIGSA-N 339.376 2.159 30 40 EEEB C#CCCN1CCN(C(=O)c2c(F)cccc2NC(=O)C(C)C)CC1 73228443 FDUHFGFXCKWGCF-UHFFFAOYSA-N 345.418 2.201 30 40 EEEB CC[C@H](C)N/C(=N\C)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 75583118 DCHVJHNYHYYFCZ-SOUVJXGZSA-N 333.480 2.159 30 40 EEEB CC[C@H](C#N)NC(=O)[C@]1(O)CCc2cc(Br)ccc2C1 585123652 UWKBWPCFLQSELH-HIFRSBDPSA-N 337.217 2.087 30 40 EEEB C/C(=N\Nc1ccc(S(N)(=O)=O)cn1)[C@H]1C[C@H]1c1ccccc1 585145945 CETZNXHVTIZLGP-UALMWKMKSA-N 330.413 2.321 30 40 EEEB N#Cc1ccccc1N1CCN(c2ncc(Br)cn2)CC1 76721551 QOYAPXJWOLRABZ-UHFFFAOYSA-N 344.216 2.437 30 40 EEEB C[C@H](COc1cccc(C#N)c1)OC(=O)[C@@H]1CCc2cn[nH]c2C1 78948350 GMHRHKXIZQNBLN-TZMCWYRMSA-N 325.368 2.397 30 40 EEEB 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([N+](=O)[O-])s1 101374077 KCZFLFYOLLDLKV-AQGHEJEXSA-N 343.364 2.043 30 40 EEEB N#Cc1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 102188337 WZLCLOLLPJCYHV-VTPLQMEGSA-N 346.408 2.315 30 40 EEEB CCN(Cc1ccc(C#N)cc1F)C(=O)N[C@@H](C)c1nncn1C 46963549 GLYMTAMLPPVYCC-NSHDSACASA-N 330.367 2.119 30 40 EEEB C=CCN(Cc1cc(Cl)cc2c1OCC2)[C@@H]1CCS(=O)(=O)C1 96008773 HDLLGCXFDCHASJ-OAHLLOKOSA-N 341.860 2.450 30 40 EEEB CCOc1ccc(/C=N/OCC(=O)Nc2cc(C)on2)cc1OC 5397790 LLVINPCQBMEDDB-RQZCQDPDSA-N 333.344 2.380 30 40 EEEB CN(Cc1nccn1C(F)F)S(=O)(=O)CC1(C#N)CCCC1 95467499 QSGATJACOVLZLY-UHFFFAOYSA-N 332.376 2.124 30 40 EEEB COc1ccc(CNC(=S)N/N=C/c2ccc(O)c(OC)c2)cc1 8691538 HABWHUDXHLRKMI-YBFXNURJSA-N 345.424 2.408 30 40 EEEB C=CCN(C(=O)c1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1 69892437 LFNCFYZQDDBHEL-AWEZNQCLSA-N 330.409 2.050 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CNc1c(F)cccc1-n1cccn1 69814981 KOZVFDHCIICBEJ-QGZVFWFLSA-N 329.379 2.478 30 40 EEEB CCCN(CCC)C(=O)c1cccc(/C(O)=N/S(C)(=O)=O)c1 78410943 FWNRMCNDLXMQCU-UHFFFAOYSA-N 326.418 2.213 30 40 EEEB CN(CC(=O)NCCCOc1ccc(F)cc1)c1ccc(C#N)cn1 63682649 JDJVTDYKHCVCGQ-UHFFFAOYSA-N 342.374 2.114 30 40 EEEB N#Cc1ccccc1N1CCCN([C@@H](C(N)=O)c2ccccc2)CC1 52801288 AJCXPSHQFPKQAH-LJQANCHMSA-N 334.423 2.297 30 40 EEEB CCOC(=O)CC/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)OCC 16682792 UDWLAELJOBPEOQ-SFQUDFHCSA-N 337.332 2.269 30 40 EEEB COc1ccccc1-c1n[nH]c(/N=C(\O)CNC(=O)C2CCCC2)n1 52779095 PYSLDNIWZSKLOF-UHFFFAOYSA-N 343.387 2.375 30 40 EEEB C#CCNC(=O)[C@@H]1CC(=O)N(CCCC)[C@H]1c1ccc(OC)cc1 22690913 BXIXIPHUWOSQQK-AEFFLSMTSA-N 328.412 2.134 30 40 EEEB C[C@H]1CN(Cc2csc(NC(=O)c3c[nH]c(C#N)c3)n2)C[C@H](C)O1 97233614 QAFIUIMYQFEZQE-QWRGUYRKSA-N 345.428 2.204 30 40 EEEB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1 3555655 XERYPOORXUHDGU-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1C#N 12640651 VMFLUDSDKZBEAA-LBPRGKRZSA-N 327.409 2.157 30 40 EEEB CN(C)C1(CNC[C@H](O)COc2ccc(CC#N)cc2)CCCCC1 38780508 QTXKUUUJFVWXOM-SFHVURJKSA-N 345.487 2.346 30 40 EEEB CC(C)C[C@H](C#N)NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 69817164 LGVGLAVPWHRVFF-CYBMUJFWSA-N 341.333 2.490 30 40 EEEB C=CCn1cnnc1SCC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 9911998 FWEDNGXDIGAVSY-NSHDSACASA-N 346.412 2.162 30 40 EEEB N#Cc1cnc(NC[C@H]2CN(C(=O)c3ccco3)CCO2)c(Cl)c1 1066590276 VLZMJHFXEXMHPB-LBPRGKRZSA-N 346.774 2.153 30 40 EEEB C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccccc1N1CCCCC1 132141919 IJGYGILMVWPNJN-CQSZACIVSA-N 328.416 2.376 30 40 EEEB C=CCCS(=O)(=O)N1CCc2c(ncn2CCc2ccccc2)C1 96500591 KVNKUQKDJSEZJP-UHFFFAOYSA-N 345.468 2.390 30 40 EEEB COc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C#N)cc1OC 594836222 ZZZSECANTBXNAL-ZYHUDNBSSA-N 342.392 2.204 30 40 EEEB CCN(C[C@@H](C)C#N)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O 71799444 MPPANRMTSRFHIS-ZDUSSCGKSA-N 343.387 2.295 30 40 EEEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccncc3F)C2)c1 1776000762 ITYJXDSGRKTVPZ-CQSZACIVSA-N 340.358 2.419 30 40 EEEB N#Cc1cccc(N2C[C@]3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)c1 1614930054 RHDWNMMRXKAJOQ-GOSISDBHSA-N 341.386 2.406 30 40 EEEB C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CCc2cn[nH]c2C1 78948362 GMHRHKXIZQNBLN-OCCSQVGLSA-N 325.368 2.397 30 40 EEEB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncc(C#N)c(N)n2)c1 7045810 SOAOQCGPASXYLG-SNVBAGLBSA-N 341.396 2.252 30 40 EEEB C#CCOc1ccccc1CNC(=O)NC[C@@](C)(O)c1cccs1 95399910 VPFFLHNNLACUSU-GOSISDBHSA-N 344.436 2.467 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CN(CCO)[C@H]1CCCc2ccccc21 106800107 QAXPVIXJVNVCKE-AZUAARDMSA-N 343.471 2.413 30 40 EEEB COc1cc(N2CCN(c3cc(C#N)ccn3)CC2)ccc1[N+](=O)[O-] 95403051 IMLOWHZIMVHLPW-UHFFFAOYSA-N 339.355 2.197 30 40 EEEB CCO[C@@H](C)c1nc(Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cs1 95401562 PJCFDYGMTJRZPR-VIFPVBQESA-N 334.357 2.230 30 40 EEEB C#CCOc1ccc(N(C)S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 80752029 OQOVLMCSDGTCQO-UHFFFAOYSA-N 333.413 2.370 30 40 EEEB C=CCSCC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 69484020 AARVBIUCQMATPH-CQSZACIVSA-N 337.420 2.467 30 40 EEEB N#C[C@@H](NC(=O)Cn1cncn1)c1ccc(OCc2ccccc2)cc1 69813126 FNLNHIGGJMLLTD-GOSISDBHSA-N 347.378 2.238 30 40 EEEB COc1cccc2[nH]cc(CC(=O)NCC3CCN(CC#N)CC3)c12 95995234 IZTWMCGHKYUHRG-UHFFFAOYSA-N 340.427 2.071 30 40 EEEB CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCc2nccn2C1 72278726 LCRVBXMQOUBFJJ-MAUKXSAKSA-N 338.411 2.289 30 40 EEEB CC(C)c1ncsc1/C(O)=N/[C@@H]1CCC[C@H]1CNS(C)(=O)=O 331314400 IOEIYNWQCJYDGF-WDEREUQCSA-N 345.490 2.289 30 40 EEEB COc1cccc(O)c1C(=O)N1CCN(c2ccccc2C#N)CC1 585121148 HCYMCKATDIXYLJ-UHFFFAOYSA-N 337.379 2.235 30 40 EEEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4)c(=O)[nH]c3c2c1 184920 PCDCUBKQMUZOCX-VXLYETTFSA-N 334.335 2.062 30 40 EEEB C/C(=N\NS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 19681043 VNRRYICKXWKTSF-FOWTUZBSSA-N 333.369 2.438 30 40 EEEB N#Cc1cccc(CNc2cccc(CN3CCC[C@H]3C(N)=O)c2)n1 585117494 GYSQKAJZNBLQKE-SFHVURJKSA-N 335.411 2.015 30 40 EEEB C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@@H](C)[C@@H](O)[C@H]3[C@@H]1O)C2(C)C 1857788086 SDBITTRHSROXCY-LUWLXCNUSA-N 334.456 2.233 30 40 EEEB C=CCOc1c(Br)cc(/C=N/n2cnnc2)cc1OC 2980468 BZKSQARJWZGPJX-REZTVBANSA-N 337.177 2.496 30 40 EEEB N#Cc1cccnc1NC[C@H]1CCN(CCC(=O)NC2CCCC2)C1 65513793 LBJPLKMCJSOKCG-OAHLLOKOSA-N 341.459 2.136 30 40 EEEB N/C(Cc1ccccc1)=N/OCC(=O)N1CCc2sccc2C1 84525077 QEJJEZZQPYNAQL-UHFFFAOYSA-N 329.425 2.164 30 40 EEEB N#CCCn1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 70019725 HGTQQPYMNYFRQG-INIZCTEOSA-N 338.415 2.193 30 40 EEEB CC(C)n1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1N(C)C 69737684 SYOHHZQFJWEKNM-OAHLLOKOSA-N 338.481 2.072 30 40 EEEB Cc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C#N)cc3)OCC(=O)N2C)cc1 96181470 JASIWEHEBMYLGQ-RBUKOAKNSA-N 349.390 2.404 30 40 EEEB CCOC(=O)COc1cc(C#N)ccc1I 280989643 MMXRTBAIKXBLDW-UHFFFAOYSA-N 331.109 2.105 30 40 EEEB N#Cc1cc2cccnc2nc1NC[C@@H]1CCC2(CCOCC2)[C@H]1O 596227548 QPCZXXAYSXEDQX-HOCLYGCPSA-N 338.411 2.481 30 40 EEEB Cc1csc(C2=C(N)N(/N=C/c3ccc(N(C)C)cc3)CC2=O)n1 13691943 MFGCBIMDTXQSRN-UFWORHAWSA-N 341.440 2.064 30 40 EEEB N#Cc1c(NC(=O)c2cnn(-c3ccccc3)c2)nc2n1CCS2 72287803 XFRDNDRAQQFWRO-UHFFFAOYSA-N 336.380 2.298 30 40 EEEB C=CCSCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 56082687 KINNLJKFZPVBRG-CQSZACIVSA-N 333.457 2.486 30 40 EEEB COc1ccc(-c2cc(Cn3nc(C)c(C)c(C#N)c3=O)on2)cc1 44892856 UVNCXVSNFRXPKN-UHFFFAOYSA-N 336.351 2.444 30 40 EEEB Cc1cccc(-n2nnnc2SCC(=O)N[C@@](C)(C#N)C(C)C)c1 2651058 ORLQJSLAEPIMNN-INIZCTEOSA-N 344.444 2.117 30 40 EEEB C=CCOc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl 93530775 MXCGJRBNFLWKTN-CYBMUJFWSA-N 344.864 2.028 30 40 EEEB C=CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C 15867672 CCJWDADXHYSCKO-UHFFFAOYSA-N 335.429 2.186 30 40 EEEB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nnc(C)c(C)c1C#N 69668707 SEPAXAOSXWHJLT-HZPDHXFCSA-N 327.432 2.335 30 40 EEEB Cc1ccn(Cc2ccc(S(=O)(=O)C(F)F)cc2)c(=O)c1C#N 97375721 RXCLSZCQJWDZEZ-UHFFFAOYSA-N 338.335 2.073 30 40 EEEB COC[C@](C)(C#N)NC(=O)c1cc(OC)c(Br)s1 95443318 KIPMYIDGMRBHGC-NSHDSACASA-N 333.207 2.178 30 40 EEEB Cc1sc2nc([C@H](C#N)C(=O)Nc3cccnc3)[nH]c(=O)c2c1C 89562891 SRSLJXGTTMHTPR-NSHDSACASA-N 339.380 2.242 30 40 EEEB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)c1 408966191 KJBLTQBKRIALPJ-VXLYETTFSA-N 344.440 2.438 30 40 EEEB COc1cc(/C=N/NC(N)=S)ccc1OCc1ccccc1C#N 408742574 RUWHUZPAQFYBJX-KEBDBYFISA-N 340.408 2.313 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2C[C@]2(C=O)NC(=O)OC(C)(C)C)cc1 217993800 GBEZNWARGBEOAS-XJKSGUPXSA-N 339.413 2.003 30 40 EEEB CN1CCc2nc(N)c(C#N)c(-c3cccn3-c3nccs3)c2C1 72140474 PVTABPDCBMCLOK-UHFFFAOYSA-N 336.424 2.438 30 40 EEEB Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccccc1CC#N 585115083 LXHGXCKSQVYHGZ-LLVKDONJSA-N 333.413 2.267 30 40 EEEB C=C(C)CN(Cc1ccccc1)C(=O)Cn1c(C)cc(O)cc1=O 279997325 MCPLPCDILPVSLI-UHFFFAOYSA-N 326.396 2.467 30 40 EEEB COc1cc(F)c(F)cc1NC(=O)N1C[C@H](C)N(CC#N)[C@H](C)C1 585141042 OKTCGLVAGSCNFU-PHIMTYICSA-N 338.358 2.423 30 40 EEEB Cc1cc(C)c(C#N)c(N2CCC(C(=O)NCc3cccnc3)CC2)n1 91480787 FNKVXPQSDJZNNH-UHFFFAOYSA-N 349.438 2.498 30 40 EEEB COc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1[N+](=O)[O-] 13125229 YGDSIJNGFLQBME-AWEZNQCLSA-N 329.316 2.073 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCCOc1ccccc1 7986956 PEEMWQHXYGGDLU-GOSISDBHSA-N 332.400 2.443 30 40 EEEB CC[C@]1(C)NC(=O)N(CCCNc2snc(Cl)c2C#N)C1=O 95395773 ZHORIUHEMWSLPI-ZDUSSCGKSA-N 341.824 2.191 30 40 EEEB CC(C)[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)NCc1ccccc1 9221202 VUGSRQQSPQERLU-CQSZACIVSA-N 341.440 2.364 30 40 EEEB Cc1cc(N(C)CCCc2n[nH]c(N)c2C#N)nc(-c2ccccn2)n1 65553595 SUNYJUWOTMVSJO-UHFFFAOYSA-N 348.414 2.093 30 40 EEEB CN(CC(=O)N1CC[C@H](Nc2ccccc2)C1)c1ccc(C#N)cn1 67279332 WHTRGJNDCRAGNZ-KRWDZBQOSA-N 335.411 2.102 30 40 EEEB N#Cc1cccc(S(=O)(=O)N[C@@H]2CCOc3ccc(F)cc32)c1 68938070 JNXBTZQNOLDLDO-OAHLLOKOSA-N 332.356 2.499 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(S(C)(=O)=O)cc1 71851048 GPXAJEKBGKLQGV-HNNXBMFYSA-N 340.470 2.237 30 40 EEEB N#CC1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCCCC1 69632078 LACMZGKGALJECD-SFHVURJKSA-N 341.455 2.338 30 40 EEEB C=CCOc1c(Cl)cc([C@H]2CC(=O)N=C3NC=NN32)cc1OCC 38199424 CYJNMTDKSHARHO-GFCCVEGCSA-N 348.790 2.479 30 40 EEEB N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc1 72333903 AKTFVPKXSIJRRB-UHFFFAOYSA-N 330.290 2.310 30 40 EEEB CCOC(=O)c1cc(-c2ccc(OCC)cc2)nn(CC#N)c1=O 225964739 ZTGBTTJINBIUNI-UHFFFAOYSA-N 327.340 2.009 30 40 EEEB C/N=C(/NC[C@@H]1CCOC1)N1CCN(c2cccc(C)c2C)CC1 195530269 SGAKUZKNRZZOBD-KRWDZBQOSA-N 330.476 2.037 30 40 EEEB N#CCC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O 97097470 WBAJJCFGLZXSSJ-ZDUSSCGKSA-N 339.317 2.226 30 40 EEEB Cn1cc(C#N)cc1/C(O)=N/S(=O)(=O)c1cn(C)c2ccccc12 96485699 VDMGYJRQQGHQHB-UHFFFAOYSA-N 342.380 2.082 30 40 EEEB Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1 598319376 JRLWNFHJPFGLMW-QFBILLFUSA-N 338.411 2.118 30 40 EEEB C=CCN1CCOCC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1565548143 TVYWHDRTRMPKCK-UHFFFAOYSA-N 328.403 2.159 30 40 EEEB CC(C)NC(=O)[C@H](C#N)C(=O)c1cnn(-c2ccccc2Cl)c1 103726898 CELMUABGUNRJMU-GFCCVEGCSA-N 330.775 2.373 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1ccco1 44913110 FLBAFMGNJAYFBX-NSHDSACASA-N 327.384 2.136 30 40 EEEB N#Cc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cc1 36394115 JAYHXEPDWSIQJS-UHFFFAOYSA-N 327.771 2.371 30 40 EEEB COCCOc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 71280677 OOMOBJPHNAWRJF-UHFFFAOYSA-N 331.416 2.430 30 40 EEEB C=CC/N=C(\NCc1ccc2c(c1)OCCO2)NCc1cc(C)no1 73805259 SUEYDKZNOQQRCO-UHFFFAOYSA-N 342.399 2.176 30 40 EEEB N#CCCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763743 NGVIYJJVNITYAQ-UHFFFAOYSA-N 333.442 2.463 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1/C=N\Cc1ccccc1 408526379 AGFPDSJGQAXNKW-BBJLHWQYSA-N 339.395 2.141 30 40 EEEB N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@](C#N)(c2ccccn2)C1 585098894 OFPSNBDRCDXSEG-QGZVFWFLSA-N 334.339 2.318 30 40 EEEB N#CC1(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CCC1 96494405 FWFZLPWXSZZIBW-MRXNPFEDSA-N 325.412 2.030 30 40 EEEB Cc1cccc(S(=O)(=O)NCc2nccn2CC(C)C)c1C#N 96499985 VWPORQYWUFCCAA-UHFFFAOYSA-N 332.429 2.198 30 40 EEEB CC(C)(C)C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(F)c(C#N)c1 275028479 PTNYKVRCOUYCFC-LLVKDONJSA-N 342.392 2.255 30 40 EEEB C=C1C[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCc2ccccc2)OC1=O 5742017 GMPQSOIOCLUVEM-ZNFSNMQZSA-N 346.379 2.320 30 40 EEEB CCCC[C@]1(C)C[C@]2(C)C3=C(O1)C(=O)[C@@H](C)OC3=C(O)C(=O)[C@H]2O 253390424 LWSJDCYEVJLGHQ-BKPUXCOXSA-N 336.384 2.317 30 40 EEEB biogenic,in-vitro N#Cc1ccc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)cc1 730106426 CPMKRIUFGIDWBQ-UHFFFAOYSA-N 348.454 2.271 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)c1 51877487 KTUUPRUQMYZPRU-KRWDZBQOSA-N 344.365 2.087 30 40 EEEB Cc1ccc(C)c(S(=O)(=O)/N=C(\O)c2c[nH]c(=O)c(Cl)c2)c1 54424150 VXSDGOOAQDXUSU-UHFFFAOYSA-N 340.788 2.339 30 40 EEEB N#Cc1cccc(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)c1 44918632 LPTYVTZEFFLTEV-CYBMUJFWSA-N 328.397 2.036 30 40 EEEB CN(C(=O)CN1CCO[C@H](c2nccs2)C1)C1(C#N)CCCCC1 97203741 KYBYVZKNTRDWES-AWEZNQCLSA-N 348.472 2.201 30 40 EEEB CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(C#N)cc2)o1 96428289 LQNAVQPOOLPJJU-OAHLLOKOSA-N 334.397 2.380 30 40 EEEB N#CC1(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CCCC1 71812666 JOGANQQBAGODAS-INIZCTEOSA-N 337.423 2.481 30 40 EEEB Cc1ccc(S(=O)(=O)Nc2n[nH]cc2C#N)c(Br)c1 91052670 JOSOFYJBNWIAFH-UHFFFAOYSA-N 341.190 2.153 30 40 EEEB C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)c2cccc(C#N)c2)CC1 69487405 IXLSVDHWGLQLOT-CALCHBBNSA-N 340.471 2.189 30 40 EEEB C/N=C(\NCc1ccn(C(C)C)n1)NC[C@H](C)Cn1nc(C)cc1C 95405809 BOSUBCHNHJUBBP-AWEZNQCLSA-N 345.495 2.279 30 40 EEEB CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC 408728616 PUZPLQBZONHLMQ-VAOWDYPFSA-N 340.379 2.235 30 40 EEEB O=S(=O)(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccc1 408887154 OKZXETKHOISDIO-LZYBPNLTSA-N 338.772 2.381 30 40 EEEB CC(C)(C)OCc1cc(CNS(=O)(=O)c2ccc(C#N)cc2)no1 186223343 GWNYSAUPQKZOCZ-UHFFFAOYSA-N 349.412 2.340 30 40 EEEB NC(=O)c1cc(C(=O)OCC#Cc2ccccc2)nn1-c1ccccc1 96409058 JUCUHQDMRNBWBF-UHFFFAOYSA-N 345.358 2.180 30 40 EEEB COC(=O)[C@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 96403614 JNIQUKOHWSWKIN-OLZOCXBDSA-N 340.301 2.258 30 40 EEEB CN1CCN(C(=O)Cc2ccc(Nc3ncccc3C#N)cc2)CC1 96452861 UWRQIAGGTOMNMX-UHFFFAOYSA-N 335.411 2.013 30 40 EEEB CN1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccc(C#N)cn3)C2)C1=O 96161469 UJQZYCVKOWQBAN-PXNSSMCTSA-N 332.407 2.406 30 40 EEEB N#Cc1c[nH]c2c(F)ccc(Cl)c2c1=NC[C@H]1CCCC(=O)N1 618981381 HCJKIOLOPBSZFW-SNVBAGLBSA-N 332.766 2.401 30 40 EEEB N/C(C/C(=N/OC(=O)c1ccccc1)OC(=O)c1ccccc1)=N/O 5640157 YDYJOWFZQHUTPM-HKWRFOASSA-N 341.323 2.150 30 40 EEEB N#CC(C#N)[C@H](c1ccccc1Cl)[C@@H](C(N)=O)[n+]1ccccc1 5866016 DNAUHMJCMAGPSD-CVEARBPZSA-O 325.779 2.101 30 40 EEEB C=CCN1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100972524 RHZTVBRKKWEYHJ-FHGZOZNJSA-N 328.390 2.020 30 40 EEEB CCN(C[C@@H](C)C#N)C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 47534231 TWPZAMPQQFXPNB-JTQLQIEISA-N 344.440 2.334 30 40 EEEB Cc1n[nH]c([C@@H]2CN(Cc3cc(Cl)ccc3OCC#N)CCO2)n1 78892410 JXRFSQMPUAWWCY-HNNXBMFYSA-N 347.806 2.242 30 40 EEEB Cc1c(-c2n[nH]c(O)c2C#N)c(O)n2c(nc3ccccc32)c1C#N 3026082 QQQFPVIZNWAQJI-UHFFFAOYSA-N 330.307 2.341 30 40 EEEB C[C@H]1CN(C[C@H]2CCCN2C(=O)c2cccc(C#N)c2)C[C@@H](C)O1 106152901 YRGAGXWGSYPXGP-RVKKMQEKSA-N 327.428 2.272 30 40 EEEB C=CCOc1ccc(CNCCSc2nnnn2C)cc1OCC 8254471 QTFBYDFHXZEIMZ-UHFFFAOYSA-N 349.460 2.056 30 40 EEEB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1ncc(C#N)c(N)n1 12609977 JDDXWBXZOYDQLI-WDEREUQCSA-N 339.424 2.389 30 40 EEEB N#Cc1cccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 7268458 MFXATFFWTUWFGD-UHFFFAOYSA-N 340.383 2.142 30 40 EEEB Cc1nc(CN2CCC[C@@H](N(C)Cc3ccc(C#N)cc3F)C2)no1 71870502 QUKRJJZYRMMCLN-MRXNPFEDSA-N 343.406 2.485 30 40 EEEB C=CCn1nnnc1S[C@H]1CCN(c2ccccc2Cl)C1=O 71893964 TWNNDZNOZDYSGP-LBPRGKRZSA-N 335.820 2.410 30 40 EEEB CCc1cc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n(C)n1 97142021 DFSPJUCNDUJTCA-UHFFFAOYSA-N 325.372 2.149 30 40 EEEB CCC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1F 79101704 UFFLEQHWECOJNW-CQSZACIVSA-N 348.353 2.187 30 40 EEEB N#Cc1ccncc1N1CCN(c2nccc(C(F)(F)F)n2)CC1 94155778 WJIZQLHRSQXUHU-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB Cc1cc2ncc3c(n2n1)CCN(C(=O)CCc1ccc(C#N)cc1)C3 208036194 BTVLFZCPEDIQPM-UHFFFAOYSA-N 345.406 2.427 30 40 EEEB COC(=O)[C@H]1C(=O)/C(=C(/C)Nc2ccccc2O)C(=O)CC1(C)C 100281827 SMRHUUSBENNFAB-BAAYTWLHSA-N 331.368 2.435 30 40 EEEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2csc(-c3ccccn3)n2)C(=O)O1 102500669 WKPVLWRYSFDOFX-LLYBFZRZSA-N 340.360 2.433 30 40 EEEB N#Cc1cnc(NC2CCN(C(=O)c3ccccc3F)CC2)cn1 106464692 SAQVPGZIFFPERZ-UHFFFAOYSA-N 325.347 2.204 30 40 EEEB N#Cc1cccc(CNC(=O)Nc2ccc(N3CCOCC3)nc2)c1 44951449 IPCADXNETUFKQF-UHFFFAOYSA-N 337.383 2.112 30 40 EEEB N#Cc1cnc(NC[C@@]2(N3CCOCC3)CCSC2)c(Cl)c1 58307380 ROCHKKBNFISCBD-HNNXBMFYSA-N 338.864 2.226 30 40 EEEB O=C(O)C[C@H]1C(=O)N2CCSC2=C1C(=O)c1ccc(Cl)cc1 62716484 MJMUYNLWZQVCIV-SNVBAGLBSA-N 337.784 2.414 30 40 EEEB CCn1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)n1 17067785 CPRUBQSSMIBZLM-CYBMUJFWSA-N 330.417 2.238 30 40 EEEB CS(=O)(=O)c1ccccc1NC(=O)NCc1ccc(C#N)cc1F 69699977 HGJIFDJNGUJFLQ-UHFFFAOYSA-N 347.371 2.423 30 40 EEEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)[C@H](C)c2cnn(C)c2)cc1F 95416029 BWUZXWQPTQAOGX-SECBINFHSA-N 343.355 2.456 30 40 EEEB O=c1c(/C(O)=N/c2ncc([N+](=O)[O-])s2)c(O)[nH]c2ccccc12 18107725 VNPDLLXNWNSFKP-UHFFFAOYSA-N 332.297 2.235 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(N)C#N)cc1 218501078 XJJIRDXQLFLKQA-ULQDDVLXSA-N 330.384 2.295 30 40 EEEB Cc1ccccc1C/C(O)=N/S(=O)(=O)c1ccc(C)c(C(N)=O)c1 78989226 QFSHPNATNYZBOS-UHFFFAOYSA-N 346.408 2.290 30 40 EEEB COc1cccc2cc(C(=O)N3CCc4[nH]c(=O)c(C#N)cc4C3)oc12 225681370 AUDBKEXQCKUYBI-UHFFFAOYSA-N 349.346 2.200 30 40 EEEB CCc1n[nH]c([C@@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)n1 83830116 APSNHFLVLSGOIU-INIZCTEOSA-N 341.415 2.081 30 40 EEEB CSCC[C@H](NC(=O)[C@H](CS)Cc1ccccc1C)C(=O)O 3776916 FGXXIAHRYGHABD-KBPBESRZSA-N 341.498 2.406 30 40 EEEB C#Cc1cccc(NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)c1 89261933 IXHIEVHAXDMYDA-UHFFFAOYSA-N 340.404 2.056 30 40 EEEB Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 65621370 TYTGOISDNICXER-UHFFFAOYSA-N 346.774 2.414 30 40 EEEB N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 4662629 NAQOMYVBHRFVLX-UHFFFAOYSA-N 331.401 2.066 30 40 EEEB C=CCN(C(=O)c1cc(C)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 69420984 MMSBZXJHPQRNBW-CQSZACIVSA-N 344.436 2.359 30 40 EEEB COC(=O)C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 95965323 DDHSBUFLHXMORY-LBPRGKRZSA-N 328.290 2.345 30 40 EEEB CN1CCN(C2CCN(Cc3cn4ccccc4c3C#N)CC2)C1=O 72267480 DREGUBMEPPZNBY-UHFFFAOYSA-N 337.427 2.143 30 40 EEEB CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O 53007741 WEYVVCKOOFYHRW-GOSISDBHSA-N 344.319 2.127 30 40 EEEB biogenic,in-vitro CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)OC[C@H]1c1ccccc1 245338732 OCDGCIHOZPWJIN-RYRKJORJSA-N 329.444 2.457 30 40 EEEB CC(C)[C@@H](C#N)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 69598759 YQZAWWMGQMWCHM-DZGCQCFKSA-N 349.866 2.228 30 40 EEEB Cc1ccccc1[C@H](C#N)C(=O)C(=O)Nc1nc([N+](=O)[O-])cs1 5722688 FCDFNDOGLWRWSQ-JTQLQIEISA-N 330.325 2.175 30 40 EEEB N#Cc1ccc(OC[C@@H]2CO[C@@H]3CN(C(=O)C4(F)CCC4)C[C@H]23)cc1 1565553432 YTWBZGBOHSAYSY-DJIMGWMZSA-N 344.386 2.303 30 40 EEEB N#Cc1ccnc(O[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 575612231 JWVMIAKVVGGWPI-HNNXBMFYSA-N 343.408 2.185 30 40 EEEB Cc1ccc(CNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)n1C 40481535 AFWYBYXDOHPKNB-UHFFFAOYSA-N 337.427 2.133 30 40 EEEB CC1=NN(C(N)=S)C(=O)/C1=N/Nc1c(Cl)cccc1Cl 104108116 HVIZLOVRDVDSEP-OVCLIPMQSA-N 330.200 2.223 30 40 EEEB C=CCNC(=O)[C@H](C)OC(=O)c1cc2ccc(OC)cc2nc1C 10726589 ISFWVFBHQOQKDT-LBPRGKRZSA-N 328.368 2.399 30 40 EEEB C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 12566877 CYFYRUNMVOBTIB-RCBQFDQVSA-N 340.379 2.165 30 40 EEEB O=C1CSC(=S)N1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 3229321 VUMVSRRUZURHIM-KGVSQERTSA-N 331.762 2.148 30 40 EEEB CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118917231 JZEZLAAJRKPOFM-WEACSMOYSA-N 346.467 2.377 30 40 EEEB biogenic,in-vitro N#Cc1ccc(N2CCC(CS(N)(=O)=O)CC2)c(C(F)(F)F)c1 75051045 RAOHSYUSQXQKOO-UHFFFAOYSA-N 347.362 2.082 30 40 EEEB Cc1occc1-c1nnc(SCC(=O)NC2(C#N)CCCC2)n1C 7236696 QSDJHGNVEJRBQO-UHFFFAOYSA-N 345.428 2.428 30 40 EEEB Cn1cnnc1CCNC(=O)c1ccccc1Oc1ccccc1C#N 97233155 UFACVEPOGXUSJT-UHFFFAOYSA-N 347.378 2.452 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 225799412 XGMONGDZXZXARI-CQSZACIVSA-N 342.786 2.224 30 40 EEEB N#CC1(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)CCCC1 1565544896 UQKKNOQJQIICRL-UHFFFAOYSA-N 325.416 2.062 30 40 EEEB COc1ccc(NC(C)=O)cc1NCC(=O)NC1(C#N)CCCCC1 11620473 RYOSZRHPCZVZAL-UHFFFAOYSA-N 344.415 2.408 30 40 EEEB C#CCNC(=O)COc1c(Br)cccc1Br 49373474 NIXHQKBLLAGOGX-UHFFFAOYSA-N 347.006 2.340 30 40 EEEB COc1ccccc1CN/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 20762281 DLBUAOQCQASNAY-GIJQJNRQSA-N 329.312 2.456 30 40 EEEB O=C1CCCC2=C1[C@H](c1cccc(Br)c1)n1nnnc1N2 18195995 CKVDUPFQWSLZQV-ZDUSSCGKSA-N 346.188 2.458 30 40 EEEB N#CC1(NC(=O)CN2CCCC[C@@H]2Cn2cccn2)CCCCC1 71875212 IIYORDQVDWIKCR-MRXNPFEDSA-N 329.448 2.080 30 40 EEEB CCOC(=O)Oc1ccc(/C=N/n2c(C)nnc2S)cc1OC 408845692 HDMKFDDIURJXMJ-OVCLIPMQSA-N 336.373 2.301 30 40 EEEB CC/N=C(/NCCc1c(C)noc1C)N[C@@H]1CCN(C2CCCC2)C1 97013722 QZPVGWPHLNGPDL-MRXNPFEDSA-N 347.507 2.406 30 40 EEEB Cc1ccnc(NC[C@H]2CCN(CC(=O)NC3(C#N)CCCC3)C2)c1 97200690 SLXUVLOBRFRJTP-MRXNPFEDSA-N 341.459 2.076 30 40 EEEB COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C(=O)O)o1 33759350 HEXYXAHXNFABOZ-FBCYGCLPSA-N 342.311 2.039 30 40 EEEB C/C(=N\NC(=S)NCC(F)(F)F)[C@@H]1Cc2ccccc2C(=O)O1 98055567 DUJVKQTXNBLIQZ-NPLBWUPPSA-N 345.346 2.170 30 40 EEEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)O 4081855 MCKJPJYRCPANCC-XLXYOEISSA-N 346.423 2.081 30 40 EEEB biogenic,in-vitro N#CC1(c2ccccc2)CCN(CC2CCS(=O)(=O)CC2)CC1 1850066006 FKOXDPPYIVPYHK-UHFFFAOYSA-N 332.469 2.369 30 40 EEEB C=CCOC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2nnn(C)c21 2055750794 YRUCWGZRDBQMFA-ZDUSSCGKSA-N 334.370 2.395 30 40 EEEB C#CCN1CCC(C(=O)N(CC)Cc2ccc3c(c2)OCCO3)CC1 50024588 FWNBKEVGKVQABU-UHFFFAOYSA-N 342.439 2.152 30 40 EEEB O=C1C(=O)N(CCO)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102798454 SNHOOTVRFDRRMX-UYTDBDHRSA-N 341.338 2.240 30 40 EEEB C[C@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)CCCCC#N)C1 68898446 LWCFRPFPMPZYOU-GASCZTMLSA-N 329.510 2.356 30 40 EEEB CCCCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1 58180491 HTZYGKNDHFYSAL-INIZCTEOSA-N 335.473 2.491 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 47460727 FZXUMHDWXMCACZ-UHFFFAOYSA-N 345.790 2.368 30 40 EEEB N#Cc1c(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cn2ccccc12 58161918 DTZYETIPXXLLBE-UHFFFAOYSA-N 336.351 2.044 30 40 EEEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58294875 ZHDKKYBBTBZBPL-SFHVURJKSA-N 347.390 2.017 30 40 EEEB CNS(=O)(=O)Cc1cccc(CNc2ccc(C#N)cc2F)c1 58315388 KIQRLEHMLKEXJE-UHFFFAOYSA-N 333.388 2.359 30 40 EEEB C=CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C 28271264 LLEIIKIRYXTGEG-OAHLLOKOSA-N 336.457 2.067 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CSc1nncn1-c1ccccc1 3452709 WYGOVLCUIXWCFI-INIZCTEOSA-N 329.429 2.414 30 40 EEEB C=CCn1c(N)nnc1SCc1nc2ccc(Cl)cc2c(=O)[nH]1 12920834 KGZKNBIJNREHBS-UHFFFAOYSA-N 348.819 2.229 30 40 EEEB N#Cc1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nn1 301924286 MCYCWBPFXIDHGK-UHFFFAOYSA-N 348.332 2.479 30 40 EEEB C[C@@H](Cc1ccco1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 69530958 ALBFAQVFXPMPCL-JTQLQIEISA-N 331.759 2.491 30 40 EEEB CC(C)c1noc([C@H](C)N2CCN(c3ncccc3C#N)CC2)n1 65589497 OHOSSXVMVBOUNC-ZDUSSCGKSA-N 326.404 2.343 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1nnc2ccccn12 65624839 RZJIHLGGYZZEBB-CYBMUJFWSA-N 335.367 2.027 30 40 EEEB COc1ccc(CN[C@H](C)CN2CCCC2=O)cc1OCCCC#N 69922095 YCGKDMPLEWLNRQ-OAHLLOKOSA-N 345.443 2.478 30 40 EEEB Cc1ccn2ncc(C(=O)N[C@@H](C#N)c3ccc(F)cc3F)c2n1 79310174 YCGQQMTYMPDTRM-AWEZNQCLSA-N 327.294 2.311 30 40 EEEB C[C@H](/N=C(/NCC(=O)N(C)C)N[C@H]1CCCSC1)c1ccccc1 195563360 FKLSHVQEMRQCCM-HOCLYGCPSA-N 348.516 2.267 30 40 EEEB N#Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 14140077 HRLKGJVLDCASBR-IBGZPJMESA-N 335.407 2.189 30 40 EEEB C#CCOc1ccccc1CN(C)S(=O)(=O)c1cnc(C)s1 95437268 HXIOUQZIICENBA-UHFFFAOYSA-N 336.438 2.284 30 40 EEEB COc1ccc(F)cc1CN1CCN(c2cc(C#N)ccn2)CC1 29445892 URTZQESGFSYQGP-UHFFFAOYSA-N 326.375 2.423 30 40 EEEB O=C1N/C(=N\CCO)S/C1=C/c1cccc(Br)c1 4718064 AGMBOMGJQOUMOB-JXMROGBWSA-N 327.203 2.001 30 40 EEEB Cc1cc(C)c(C)c(Sc2c(C#N)c(=O)n(C)c(=O)n2C)c1C 54359321 ZYILCNSLGQENFJ-UHFFFAOYSA-N 329.425 2.341 30 40 EEEB CN(CCOc1cccc(C#N)c1)C(=O)c1cccc(-n2cccn2)n1 76348360 ZCWHVOYVJHMNIC-UHFFFAOYSA-N 347.378 2.290 30 40 EEEB CN(C)c1ccc(/C=N\N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100227934 CYIRFOHUIPKUIU-HWSGCAAESA-N 335.407 2.140 30 40 EEEB C=CCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NC)cc1OC 61986305 JUYBOVABEQTAFR-AWEZNQCLSA-N 334.416 2.151 30 40 EEEB CCOC(=O)CCCN1CC(=O)C(c2nc3ccccc3s2)=C1N 3263444 PMZADCSHWQBYFX-UHFFFAOYSA-N 345.424 2.152 30 40 EEEB Cc1ccc(OCCCNC(=O)CN(C)c2ccc(C#N)cn2)cc1 58407452 LGZSJBPTELHUKG-UHFFFAOYSA-N 338.411 2.283 30 40 EEEB C=CCn1c(SCC(=O)NC(=O)OCC)nnc1-c1ccccc1 3485270 YTFKTVBYUBADHO-UHFFFAOYSA-N 346.412 2.496 30 40 EEEB CCNc1nc(NCC)nc(N/N=C/c2ccc(N(C)C)cc2)n1 4186430 DAXNQXUJJPOCCF-YBFXNURJSA-N 328.424 2.247 30 40 EEEB CN1CCc2c(C#N)c(NCCc3ccccc3)n3cnnc3c2C1 13729689 XIPAZLBFKGIYNT-UHFFFAOYSA-N 332.411 2.243 30 40 EEEB C/C(=N\NC(N)=S)c1cc2cc(Br)ccc2oc1=O 13739311 ZHVKHBXLJAHMBY-GIDUJCDVSA-N 340.202 2.113 30 40 EEEB Cc1nc(N=C2NCN(Cc3ccccn3)CN2)nc2c(C)cccc12 19330392 AODZGMAIDXMBJT-UHFFFAOYSA-N 347.426 2.239 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc[nH]2)nc1 6408206 TZAPFOYKAMAWND-LDADJPATSA-N 335.433 2.276 30 40 EEEB CC(C)N1C(=O)C[C@H](C(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1 95989142 KXSOESDXKXQMIA-XHDPSFHLSA-N 337.782 2.417 30 40 EEEB CC(C)n1cc(C#N)c(NC(=O)NC[C@@](C)(O)c2cccs2)n1 89894017 HCHNHJCMFCVUAO-OAHLLOKOSA-N 333.417 2.426 30 40 EEEB COc1ccc(CN/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1OC 20195700 UUTFDLHMIHJYDI-RQZCQDPDSA-N 331.328 2.441 30 40 EEEB Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)n2ncnc2n1 36619211 FGXKZHIFDFEGOH-UHFFFAOYSA-N 338.396 2.497 30 40 EEEB CC(C)OC(=O)c1ccc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)cc1 100087610 APRBAUGNCQXJFX-RQZCQDPDSA-N 340.343 2.471 30 40 EEEB COc1ccc(OCC(=O)/N=C(\N)Nc2nc3ccccc3o2)cc1 51367076 CMUVQFJBUGOCDC-UHFFFAOYSA-N 340.339 2.169 30 40 EEEB CCN1CCN(C(=O)CC2CCN(c3ccc(C#N)cc3)CC2)CC1 108847159 SCUDWMGYNRHEEV-UHFFFAOYSA-N 340.471 2.329 30 40 EEEB CCCc1cc(CN(C)/C(O)=N/c2nc(-c3ccco3)n[nH]2)[nH]n1 48159265 VZSCQJOLKIUZLQ-UHFFFAOYSA-N 329.364 2.418 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(Cc2coc(-c3cccs3)n2)c1 58345089 UIGVKJNQUSAOIT-UHFFFAOYSA-N 341.348 2.271 30 40 EEEB CC(C)NS(=O)(=O)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 11327169 ZWYNHHHKEZROLS-UHFFFAOYSA-N 344.392 2.464 30 40 EEEB CCc1ccc(/C(O)=N/S(=O)(=O)c2ccsc2C(=O)OC)o1 48513525 NOMMUMFOVARZCZ-UHFFFAOYSA-N 343.382 2.384 30 40 EEEB S=c1[nH]ncn1/N=C/c1ccccc1I 6132885 SBTOIKKJTUKVMM-LFYBBSHMSA-N 330.154 2.427 30 40 EEEB CCc1nn(Cc2cc(C(=O)OC)sc2C)c(=O)c(C#N)c1CC 96461995 FGTFTMYQZBYHEY-UHFFFAOYSA-N 345.424 2.445 30 40 EEEB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCC#N 22078794 HLTQPMPYCDEFBR-RVDMUPIBSA-N 349.346 2.059 30 40 EEEB C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 97033025 LJHFPIUOLRVGIY-ACJLOTCBSA-N 346.394 2.016 30 40 EEEB C[C@H](C1CC1)N(C)CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 110705403 KBGXCZZEGKPGQH-VQIMIIECSA-N 340.471 2.126 30 40 EEEB C/C(=N\Nc1ccc(S(N)(=O)=O)cn1)[C@@H]1C[C@@H]1c1ccccc1 98055458 CETZNXHVTIZLGP-RBXCXTNXSA-N 330.413 2.321 30 40 EEEB N#Cc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3COc2ccccn2)c1 306131580 KJACLSGUQSEECD-QGZVFWFLSA-N 349.390 2.263 30 40 EEEB CC(=O)C(C(=O)Nc1ccccc1F)=C1SC(C(=O)O)S1 62716058 OXCRJJSWFOBPHJ-UHFFFAOYSA-N 327.358 2.456 30 40 EEEB COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c(OC)c1OC 409101544 YWWYIVAEDCIZJE-RQZCQDPDSA-N 332.316 2.462 30 40 EEEB C[C@@H]1C[C@@H](OC[C@@H](S)CN2CCN(CO)CC2)CC(C)(C)C1 33532815 ICRJMXAQCCNBSP-OAGGEKHMSA-N 330.538 2.084 30 40 EEEB Cc1cc(C)nc([C@@H](C#N)C(=O)[C@H](C)Cc2c(C)nn(C)c2C)n1 76820695 UBKKBVMAGCYFFR-HWPZZCPQSA-N 325.416 2.499 30 40 EEEB CCCS(=O)(=O)OCCN1C(=O)c2cccc3cccc(c23)C1=O 226859268 WWTCHKQLSPQVTN-UHFFFAOYSA-N 347.392 2.192 30 40 EEEB Cc1cccc2c1OC[C@H](/N=C(/O)N1CCC[C@H](n3cncn3)C1)C2 329741725 OWIBDDKAVVNAER-CVEARBPZSA-N 341.415 2.141 30 40 EEEB COC(=O)[C@@H]1C(=O)/C(=C/Nc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C 100551705 TWUFVOIVSIRBNQ-TZIYXEQSSA-N 346.339 2.248 30 40 EEEB N#Cc1cccc(C(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c1 75156949 FUFRLXMUUMAJHS-UHFFFAOYSA-N 337.379 2.433 30 40 EEEB COc1cc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)ccc1O 12407637 OAFVFKPTVKGQND-CQSZACIVSA-N 328.328 2.370 30 40 EEEB COc1cccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)c1OC 222588 YPUAKJFRIYBTEH-HNNXBMFYSA-N 326.356 2.317 30 40 EEEB CCOc1cccc2c1OC[C@H](C(=O)N[C@]1(C#N)CCSC1)C2 71883278 WHKZAVBVZCJZAE-DYVFJYSZSA-N 332.425 2.152 30 40 EEEB O=C1C[C@H](c2ccccc2)N2N=C(/N=C(\O)Cc3ccccc3)NC2=N1 1276239 PPVCQTDAWOGYEM-OAHLLOKOSA-N 347.378 2.389 30 40 EEEB C=CCOC(=O)[C@]12C[C@@](C)(OC(C)=O)[C@H]1c1ccccc1OC2=O 2077997 OXEJIIKLRXTAFZ-OLMNPRSZSA-N 330.336 2.130 30 40 EEEB C[C@@]1(c2cccs2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 44944281 QYXQMOGFDFGOOQ-KRWDZBQOSA-N 341.392 2.466 30 40 EEEB CC(C)[C@H](C)NC(=O)CN1CCCN(c2ccccc2C#N)CC1 46086584 LIUWBULLSXTIOX-INIZCTEOSA-N 328.460 2.231 30 40 EEEB N#Cc1ccc(C(=O)Nc2cccc(NC(=O)CCn3ccnc3)c2)[nH]1 95433562 UVZHYTBIGFSTPZ-UHFFFAOYSA-N 348.366 2.364 30 40 EEEB N#Cc1cccnc1NC[C@H]1CCN(Cc2ccc3c(c2)OC(=O)C3)C1 65502613 LBUNDFXMYJFWGT-OAHLLOKOSA-N 348.406 2.349 30 40 EEEB N#C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl 66394714 OWIUYOGBBBVJLZ-LDYMZIIASA-N 347.223 2.109 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1/C=N\[C@H]1C[C@H]2CC[C@H]1C2 408528308 VRTYOBJYXKFUQX-ZXAGZBMRSA-N 343.427 2.129 30 40 EEEB CCOCCn1c(C#N)cc(N)c1N1CCN(c2ccccc2)CC1 225870609 NSQPMQDCKQRSEQ-UHFFFAOYSA-N 339.443 2.305 30 40 EEEB N#CC1(NC(=O)Cn2cnc3ccsc3c2=O)CCCCCC1 40490138 BMLLZNPKPVGJNR-UHFFFAOYSA-N 330.413 2.191 30 40 EEEB CCN(Cc1ccc(C#N)cc1F)C(=O)CCNC(=O)c1ccoc1 44573719 KKGHQLHUCZULOD-UHFFFAOYSA-N 343.358 2.459 30 40 EEEB CCN(C[C@H](C)C#N)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 58201636 WJPPUSZXJJLBAN-SNVBAGLBSA-N 330.356 2.305 30 40 EEEB Cc1ccccc1OCc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1 4559616 PJLYECLNKLMVFZ-UHFFFAOYSA-N 340.383 2.135 30 40 EEEB Cc1nn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(=O)c(C#N)c1C 69536870 NUZWRFASQOMVEX-UHFFFAOYSA-N 342.355 2.476 30 40 EEEB Cc1nnc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c(C#N)c1C 97032683 FEPGNEQUFGDNCB-UHFFFAOYSA-N 347.426 2.164 30 40 EEEB COC(=O)[C@]1(C)CN(C(=O)NCc2cc(C#N)ccc2F)C[C@H]1C 225694812 CXGGPYSTAXEAFR-PIGZYNQJSA-N 333.363 2.038 30 40 EEEB Cc1nc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cs1 71833074 QQZQNGAVGYUCSW-UHFFFAOYSA-N 343.412 2.151 30 40 EEEB CC(=O)Nc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 1739338 NGMKRGVLFSGKIJ-GZTJUZNOSA-N 331.397 2.266 30 40 EEEB C=CCOC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2nnn(C)c21 2055750793 YRUCWGZRDBQMFA-CYBMUJFWSA-N 334.370 2.395 30 40 EEEB CCCCCn1/c(=N\C(C)=O)c(C#N)cc2c(=O)n3ccccc3nc21 101401511 DFRYPIGLROSKEQ-FXBPSFAMSA-N 349.394 2.158 30 40 EEEB CSc1nccn1-c1cccc(C(=O)[C@@H](C#N)C(=O)NC(C)C)c1 103504901 AHJWFTUTMGOWCX-CQSZACIVSA-N 342.424 2.441 30 40 EEEB COC1(OC)[C@@H](c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC 1585164 KUOSDEHGHAPCBN-ZDUSSCGKSA-N 336.775 2.449 30 40 EEEB C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccccc1C#N 24977328 BQIPZXYUYFZIFJ-LBPRGKRZSA-N 334.335 2.390 30 40 EEEB Cc1ccc([C@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)o1 43720236 XUYLVYJSCALRTF-AWEZNQCLSA-N 339.399 2.448 30 40 EEEB N#Cc1ccc(N2CCCN(C(=O)COc3ccccc3)CC2)nc1 57140592 VWKAPQMYAJQSQK-UHFFFAOYSA-N 336.395 2.071 30 40 EEEB C[C@H]1CN(Cc2ccc(C#N)cc2F)CCN1Cc1nccn1C 69598187 LJVCYHIGXQYLAK-AWEZNQCLSA-N 327.407 2.137 30 40 EEEB N#Cc1cnn(-c2ccccc2)c1NC[C@H]1COC2(CCOCC2)O1 585092600 GJSVYHKISDUSFU-INIZCTEOSA-N 340.383 2.078 30 40 EEEB CCOC1(NS(=O)(=O)c2ccc(C)cc2)C(C)=CC(=O)C=C1C 16807589 VHYLUVCJDNCXJD-UHFFFAOYSA-N 335.425 2.481 30 40 EEEB C[C@@H]1NC(C(=O)Nc2ccc(CC#N)cc2)=NN(c2ccccc2)C1=O 31545735 LSWPBSQENWFMDE-ZDUSSCGKSA-N 347.378 2.030 30 40 EEEB Cc1nnc(NCc2ccc(CS(C)(=O)=O)cc2)c(C#N)c1C 40555600 ZIQZIBYNTZBROM-UHFFFAOYSA-N 330.413 2.122 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2ccccc2C)c(=O)c1C#N 583008 XLUDIRCCDRWHOC-UHFFFAOYSA-N 325.368 2.122 30 40 EEEB CSc1nc(N)nc(SCC(=O)NCc2ccccc2)c1C#N 3169425 FTJQECCPGQXVBG-UHFFFAOYSA-N 345.453 2.061 30 40 EEEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/Nc1ncccc1[N+](=O)[O-] 409088416 LQFGWLFAXKGEQC-LZYBPNLTSA-N 347.287 2.361 30 40 EEEB O=[N+]([O-])c1ccc(/C=N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)cc1 4705093 LWGFNUOLGFNTTP-BGPOSVGRSA-N 330.256 2.367 30 40 EEEB C=CCNC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1 8316663 APIPKENAMYKHJZ-UHFFFAOYSA-N 329.253 2.028 30 40 EEEB N#CCc1ccc(NC(=O)Cn2nnnc2CCc2ccccc2)cc1 69594899 WJCKHTMRNVXXIG-UHFFFAOYSA-N 346.394 2.163 30 40 EEEB C=CCN/C(=N/[C@H](C)[C@H]1CCCO1)NCc1cccc(NC(C)=O)c1 95350553 XIWQBWSSEDAGGY-RDTXWAMCSA-N 344.459 2.434 30 40 EEEB C[C@H](N1CCN(C(=O)NCc2cccc(C#N)c2)CC1)C(F)(F)F 89598443 NOIUASYZFVPUPJ-LBPRGKRZSA-N 340.349 2.336 30 40 EEEB C=CCN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2OC)C1=O 409129024 JSCQKFGILIFRNT-RVDMUPIBSA-N 327.384 2.374 30 40 EEEB Cc1cc(CCC(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)ccc1F 225682157 NUSUDEXUCRRWAG-UHFFFAOYSA-N 339.370 2.212 30 40 EEEB COC(=O)C[C@@H]1CSCCN1Cc1c(F)cc(C#N)cc1F 194410515 UBZNDDMRTQVAPL-LLVKDONJSA-N 326.368 2.317 30 40 EEEB C[C@H]1C[C@@H](C/N=C(/N)N2CCSCC2)CN1Cc1ccccc1 97229338 UUAVSIHVTCICLE-RDJZCZTQSA-N 332.517 2.261 30 40 EEEB CN(CC#N)C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1 1616037138 FTNLTULHERYMJE-UHFFFAOYSA-N 337.305 2.128 30 40 EEEB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Sc2cc(C#N)ccn2)C1 298588548 HPDKIDHIVNVWRD-TZMCWYRMSA-N 347.440 2.236 30 40 EEEB CC(C)c1nc([C@@H](CO)NC(=O)CNc2ccc(C#N)cc2)cs1 585140899 MGFSYHJPJVZJHJ-CQSZACIVSA-N 344.440 2.400 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)COc1ccc2c(c1)CCC(=O)N2 25104568 WMEXWQJJJDAQOZ-UHFFFAOYSA-N 349.390 2.480 30 40 EEEB COc1ccccc1C1CC(=O)C(=C2N[C@H]3CCCC[C@@H]3N2)C(=O)C1 9287918 XRIWSSPARJEELU-GJZGRUSLSA-N 340.423 2.426 30 40 EEEB COc1ccc(C2CC(=O)C(=C3N[C@@H]4CCCC[C@H]4N3)C(=O)C2)cc1 9287832 RTXBEJBENSJEGR-HZPDHXFCSA-N 340.423 2.426 30 40 EEEB COc1ccc(CNCCNc2ncccn2)cc1OCCCC#N 64614337 YKCNFURJEAQWPS-UHFFFAOYSA-N 341.415 2.369 30 40 EEEB CC(C)n1cc(C#N)c(NC(=O)N2CCc3ccccc3[C@@H]2CO)n1 95434539 KGVWCTCDBHAXSF-INIZCTEOSA-N 339.399 2.459 30 40 EEEB COc1cccc(N2CC[C@H](CN/C(=N\C3CC3)NC3CC3)C2)c1 75583437 GHKSYKASNKTYFG-CQSZACIVSA-N 328.460 2.382 30 40 EEEB C=CCn1nc(C)c(CCC(=O)NCc2c(C)nn(C)c2C)c1C 72242956 GYHDQOQDKDYOSK-UHFFFAOYSA-N 329.448 2.285 30 40 EEEB C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)CCC 217439053 LDUSBANJARHLMZ-NSHDSACASA-N 326.418 2.450 30 40 EEEB CS(=O)(=O)N[C@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 97103048 AHBLCGBXDOXRJV-NSHDSACASA-N 347.362 2.095 30 40 EEEB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CO 31539919 DCMCEXCRUWBAFV-LDGASQGZSA-N 348.483 2.459 30 40 EEEB biogenic CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238264 CQUQFCOHPUZKRP-JTQLQIEISA-N 329.381 2.352 30 40 EEEB Cc1ccccc1CCNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 18104770 GBPZUYDINJLSLE-UHFFFAOYSA-N 337.423 2.463 30 40 EEEB Cc1cc(/C=N/N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 6714428 BEPOSFODKJAWDA-YCPFAOKUSA-N 331.441 2.205 30 40 EEEB COc1cccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)c1 50206988 DJCUDVIPVDCRBK-UHFFFAOYSA-N 333.365 2.419 30 40 EEEB COCCCNC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CC[C@@H](C)C2 103259692 KKTYTTFHUAZNIS-YPMHNXCESA-N 334.441 2.348 30 40 EEEB Oc1ccc(O)c(/C=N\NC(=S)N[C@@H]2C[C@@H]3C[C@@H]2[C@H]2C=CC[C@H]32)c1 102881355 OFXIRPMFRVBDKI-LZZHGXAZSA-N 343.452 2.497 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccs2)CC1 8204809 ZSOAYSHAJOWJAD-UHFFFAOYSA-N 342.380 2.490 30 40 EEEB C/N=C(/NCCSc1ccc(Cl)cc1)NCc1noc(C)n1 83177645 KTCYOKJVGHZXTD-UHFFFAOYSA-N 339.852 2.489 30 40 EEEB N/C(=N/Cc1ccc(O)c(F)c1)N1CCN(c2ccccc2F)CC1 95964065 OSEMHNGKNHZZHY-UHFFFAOYSA-N 346.381 2.307 30 40 EEEB Cc1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)cc1 6556693 GDGFMKILCRDREF-HKWRFOASSA-N 337.408 2.253 30 40 EEEB O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1ccccc1[N+](=O)[O-] 4791675 CNUNJKAIWILZCZ-WFSQQTBHSA-N 344.352 2.352 30 40 EEEB Cc1ccc(F)c(N2CCC[C@@H](NS(=O)(=O)CCCC#N)C2)c1 71910250 UYTWKCXNWKMQFL-CQSZACIVSA-N 339.436 2.326 30 40 EEEB Cc1c(NCc2cc(C#N)ccc2F)cccc1C(=O)NCCO 84041436 HJPVFEFUUPGELE-UHFFFAOYSA-N 327.359 2.340 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCN(C(C)C)C1 96999550 GRVJGAKXAJFZIO-CQSZACIVSA-N 326.400 2.463 30 40 EEEB N#CCCCS(=O)(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 95993971 QUTMHEKDMXDHHI-HNNXBMFYSA-N 338.404 2.496 30 40 EEEB CN(C(=O)c1cccc(/C(O)=N/S(C)(=O)=O)c1)c1ccccc1 78556443 UAWIMKRWQMGXBA-UHFFFAOYSA-N 332.381 2.227 30 40 EEEB NC(=O)c1ccccc1OCC#CCNC(=O)c1cc2ccccc2[nH]1 90743678 TZOVSLCGHTUSHH-UHFFFAOYSA-N 347.374 2.079 30 40 EEEB CO/N=C1\C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c2ccsc21 5822593 CNAYTPAPGSFYRW-DWTJURIWSA-N 339.417 2.184 30 40 EEEB C=CCn1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1C 12116992 RTQCYFGSAGERHM-JJTKIYQPSA-N 341.459 2.126 30 40 EEEB Cn1ccnc1CN1CC[C@@]2(C[C@@H](Nc3cccc(C#N)c3)CO2)C1 107225972 FZUFKLLDPCIILT-IEBWSBKVSA-N 337.427 2.137 30 40 EEEB CN(C(=O)CCC(=O)c1ccc2c(c1)OCCO2)C1(C#N)CCC1 58421476 DCHXWNWROCFXDU-UHFFFAOYSA-N 328.368 2.325 30 40 EEEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 102695531 NMKYUBDIARGHNB-UPJWGTAASA-N 340.383 2.024 30 40 EEEB C#CCOc1ccc(CCNC(=O)N[C@@H](C)c2cnn(C)c2)cc1 95404549 OJWQEVGFJJTCOM-AWEZNQCLSA-N 326.400 2.035 30 40 EEEB Cc1cc(C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] 13957036 WQEYVUQJDXEFMY-UHFFFAOYSA-N 344.283 2.289 30 40 EEEB N#C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc(Cl)c(Cl)c1 68457505 SAFBSWYVDGGOOW-BXKDBHETSA-N 326.183 2.200 30 40 EEEB CN(C)[C@@H](CNc1ncnc2c1cnn2CCC#N)c1ccccc1 97199974 MQWLVLFJJNTMLB-INIZCTEOSA-N 335.415 2.455 30 40 EEEB COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2C#N)cc1 185538467 GILXXRKIRBKCBX-IEBWSBKVSA-N 336.391 2.333 30 40 EEEB C#Cc1cccc(NC(=O)CN(C)c2ccccc2S(C)(=O)=O)c1 195575549 JTKJPIYXLQWXEL-UHFFFAOYSA-N 342.420 2.146 30 40 EEEB C#CCN(Cc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 65476535 DOPUZSVUBFPQDD-AWEZNQCLSA-N 342.258 2.071 30 40 EEEB COCC[C@H](Cc1cccc(Br)c1)C(=O)NCC#N 96420724 WRMFCHXREKIWIF-GFCCVEGCSA-N 325.206 2.284 30 40 EEEB CN(C)c1ccc(/C(N)=N/OC(=O)c2cccc([N+](=O)[O-])c2)cc1 4119054 MEJVUCMHHDDSSH-UHFFFAOYSA-N 328.328 2.138 30 40 EEEB C=CCCC(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@H]2C1 1888853086 HZDQIGHWAYIZFI-HUUCEWRRSA-N 326.444 2.135 30 40 EEEB N#Cc1cccc(CN2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1 1888914117 JZIUXJCCBRPODW-HDICACEKSA-N 331.375 2.180 30 40 EEEB N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Cl 100968104 WJAIALNSNAKJTF-BETUJISGSA-N 343.770 2.101 30 40 EEEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC2(CC1)OCCO2 24998361 YSTGMVZOIDNKSY-UHFFFAOYSA-N 341.367 2.230 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)n1cccc/c1=N\C(C)C 48289025 WUGNPPHYHNSSRA-HEHNFIMWSA-N 338.411 2.247 30 40 EEEB N#Cc1ccnc(N2CCN(c3c(F)cc(C#N)cc3F)CC2)c1 58343633 BWMCMKMXZPRCES-UHFFFAOYSA-N 325.322 2.430 30 40 EEEB CC(=O)C1=C(O)C[C@H]2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O 100069110 UCEDYRRYYRYVBN-MGNBDDOMSA-N 346.335 2.001 30 40 EEEB N#Cc1ccc(OCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 13225383 WMGJTAWMLLUYSO-BPUTZDHNSA-N 328.368 2.181 30 40 EEEB N#Cc1cc(Br)ccc1NC[C@@H]1CCCS1(=O)=O 96008525 ZNYFVGCWUCPSIU-NSHDSACASA-N 329.219 2.310 30 40 EEEB CCN1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 71921311 AMTDIDQDPUHVNA-LSDHHAIUSA-N 335.448 2.135 30 40 EEEB C=CCN(Cc1ccn(-c2cccc(F)c2)n1)[C@@H]1CCS(=O)(=O)C1 66559787 VREBRAZUMQBVDG-QGZVFWFLSA-N 349.431 2.187 30 40 EEEB Cc1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)no1 124866522 KLIWVLCLWZOELE-UHFFFAOYSA-N 347.378 2.365 30 40 EEEB Cc1ccc([C@@H](CNC(=O)C#Cc2ccccc2)N2CCOCC2)o1 80504373 MVLKZBWOAPKZLW-GOSISDBHSA-N 338.407 2.129 30 40 EEEB COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)cc(Cl)c1O 5853599 IWIRAPRROYTNEH-LBPRGKRZSA-N 326.805 2.436 30 40 EEEB N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 40079739 AEWZYHGFZUKHHB-UHFFFAOYSA-N 345.380 2.188 30 40 EEEB CC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccccc1)C(F)(F)F 2504115 XWNLRMZXSSOQTO-CQSZACIVSA-N 327.258 2.137 30 40 EEEB COc1ccc(Cl)cc1NC(=O)CSc1ncc(C#N)c(N)n1 7045681 RSBQRDVNLCKPDZ-UHFFFAOYSA-N 349.803 2.323 30 40 EEEB N#Cc1ccc(CN2CCN(Cc3nnsc3Cl)CC2)cc1 26867014 RSYIYUHSMBEQCB-UHFFFAOYSA-N 333.848 2.381 30 40 EEEB CC/N=C(\NCC)NCc1ccccc1CN1C[C@H](C)O[C@H](C)C1 66244142 SMUDSGWFKHTAGI-IYBDPMFKSA-N 332.492 2.371 30 40 EEEB N#Cc1c(Cl)nsc1N1CCN(Cc2cscn2)CC1 48921649 UMDZQJQMZOUXEW-UHFFFAOYSA-N 325.850 2.447 30 40 EEEB C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 65443301 AKOAVFQMRKEYIB-LLVKDONJSA-N 329.404 2.054 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C#N)cc1 6651106 BPMSBROMDVMZBE-UHFFFAOYSA-N 335.363 2.411 30 40 EEEB CCCOc1ccc(N2C(=O)C(=O)N(CC#N)C2=O)cc1OCCC 7509474 KWLZNIXFWCHSMA-UHFFFAOYSA-N 345.355 2.083 30 40 EEEB C=CCn1nnnc1SCc1nc2c(oc3ccccc32)c(=O)[nH]1 69437547 JCEJZICLUXHORS-UHFFFAOYSA-N 340.368 2.134 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](NC(=O)CC)C1 69534457 YCMBCTWRLZKYOZ-AWEZNQCLSA-N 344.415 2.479 30 40 EEEB N#Cc1nc(NC(=O)CNc2cccc(C(F)(F)F)c2)[nH]c1C#N 69518350 OHVHZDHAYHDFDO-UHFFFAOYSA-N 334.261 2.222 30 40 EEEB Cc1ccc(Cl)cc1N/C(N)=N\c1nc(C)c(CC#N)c(=O)[nH]1 20555623 MLNLITQBOXQXDB-UHFFFAOYSA-N 330.779 2.165 30 40 EEEB Cc1ccc(NC(=O)[C@@H](C)O/N=C(/N)[C@@H](C)n2ccnc2)c(F)c1 72286204 VKWOFHQPAPZIJP-VXGBXAGGSA-N 333.367 2.208 30 40 EEEB CC(C)Cc1nc(C[S@](=O)CC(=O)Nc2cccc(C#N)c2)no1 79324571 MCIZRRJQCLNYKD-XMMPIXPASA-N 346.412 2.027 30 40 EEEB Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C 568585177 XGKLFSWHQKOGKC-WMLDXEAASA-N 339.399 2.500 30 40 EEEB COC[C@@H]1CN(Cc2ccc(F)cc2C#N)C[C@H]1c1cnn(C)c1 585655528 IWBYVNYQPPKFNH-WMZOPIPTSA-N 328.391 2.293 30 40 EEEB Cc1cnc(C/N=C(/N)N2CCN(c3ccc(F)cc3)CC2)s1 95964070 AFDLMVVKRLIBIE-UHFFFAOYSA-N 333.436 2.228 30 40 EEEB Cc1nnc(NCCNC(=O)c2ccccc2Cl)c(C#N)c1C 42107834 GUXKSZCZXVGWIA-UHFFFAOYSA-N 329.791 2.460 30 40 EEEB N#CC1(NC(=O)CSc2nnc3n2CCCCC3)CCCCC1 6097974 FUTYHASRJQHHOZ-UHFFFAOYSA-N 333.461 2.439 30 40 EEEB CSc1nc(C)c(C)c(N2CCN(c3ccc(C#N)cn3)CC2)n1 1888857206 JBZXRAOBACDVNF-UHFFFAOYSA-N 340.456 2.409 30 40 EEEB CN(C)C(=O)c1cccc(NCC(=O)NC2(C#N)CCCCC2)c1 23902397 GLNDUQMECYZMDS-UHFFFAOYSA-N 328.416 2.143 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 25120384 OSRKTCPECLRBQK-MRXNPFEDSA-N 337.379 2.158 30 40 EEEB Cc1ccc2ncn(C[C@@H](O)COc3ccc(CC#N)cc3)c(=O)c2c1 44974829 NJPYNXOOMYDNIW-MRXNPFEDSA-N 349.390 2.211 30 40 EEEB N#Cc1cccc(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c1 65585262 ORLUVXYSPXQMEO-QGZVFWFLSA-N 345.362 2.391 30 40 EEEB C=CCOc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1Cl 93530776 MXCGJRBNFLWKTN-ZDUSSCGKSA-N 344.864 2.028 30 40 EEEB Cn1cc([C@@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)cn1 71799311 XDUDEUYGMVMGMS-HKUYNNGSSA-N 340.427 2.063 30 40 EEEB C#CCOc1cccc([C@@H](C)NC(=O)c2c(C)nn(C)c2OC)c1 95395710 OURDZCJOVRKBMM-GFCCVEGCSA-N 327.384 2.240 30 40 EEEB CS[C@H]1C(C(=O)c2ccccn2)=C(CC(=O)O)C(=O)N1CC(C)C 62716466 SLPNJVAYWKXVEG-KRWDZBQOSA-N 348.424 2.223 30 40 EEEB CCN(CC)CC#C[C@@H](C)OC(=O)c1sc(-c2nc[nH]n2)nc1C 96482974 WFSIMMIRKULXRL-LLVKDONJSA-N 347.444 2.127 30 40 EEEB C[C@H](C#N)CN(C)c1ncnc2sc(N(C)C[C@@H](C)C#N)nc12 585092806 OMSQJGPWZPKCKI-MNOVXSKESA-N 329.433 2.278 30 40 EEEB COCCN(CCCc1ccccc1)CC(=O)N[C@](C)(C#N)C1CC1 58342962 OCKAVZIHDQMNDW-HXUWFJFHSA-N 343.471 2.376 30 40 EEEB COC(=O)[C@H]1CCCN1c1cccc(B2OC(C)(C)C(C)(C)O2)c1 202754926 BEAUYFYVEDRXJO-OAHLLOKOSA-N 331.221 2.128 30 40 EEEB Cn1cc([C@@H]2OCC[C@H]2CN=c2c(C#N)c[nH]c3ccccc23)cn1 591193142 TWZBFJBJEKQEAR-ORAYPTAESA-N 333.395 2.452 30 40 EEEB N#Cc1ccc(CN2CCN(c3ncnc4cc[nH]c34)CC2)c(F)c1 1775974332 XLPOIMGJBWSXJN-UHFFFAOYSA-N 336.374 2.291 30 40 EEEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(Br)o1 100871231 YLNBAZXFKASTQD-MRVPVSSYSA-N 334.129 2.398 30 40 EEEB COc1ccccc1-c1nc(C#N)c(NCCCN2CCOCC2)o1 20461177 HRMCBISJBFNFHJ-UHFFFAOYSA-N 342.399 2.356 30 40 EEEB C[C@H](c1cccnc1)N1C(=O)C[C@@H](N(C)Cc2ccc(C#N)cc2)C1=O 101026195 BCPYPJCFCJSFSD-RDTXWAMCSA-N 348.406 2.274 30 40 EEEB N#Cc1ccsc1NC(=O)CCN1CCN(c2nccs2)CC1 21335213 YSZBPKQDTYZEOG-UHFFFAOYSA-N 347.469 2.227 30 40 EEEB C[C@@H]1CN(C(C)(C)CNC(=O)NCC#Cc2ccccc2)C[C@@H](C)O1 32802839 VFSMSXQRIRSHGO-IAGOWNOFSA-N 343.471 2.225 30 40 EEEB CCC1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(C(F)(F)F)C1 814219 AWXULZQZLBEGPA-CQSZACIVSA-N 341.289 2.186 30 40 EEEB C=CCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC 3495654 RJYVLCWMRRGULW-UHFFFAOYSA-N 332.429 2.368 30 40 EEEB CN(Cc1ccccc1)C(=O)COC(=O)COc1ccc(C#N)cc1 8010316 FKDWPMOTOCYUSP-UHFFFAOYSA-N 338.363 2.139 30 40 EEEB CC1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 69413677 SQHBPAOCFIAVKT-GOSISDBHSA-N 326.400 2.015 30 40 EEEB CCOc1cccc(C(=O)NC2(C#N)CCC3(CC2)OCCO3)c1 69874292 LSTRGNIGCUEMJQ-UHFFFAOYSA-N 330.384 2.395 30 40 EEEB Cc1c(C(=O)N[C@@]2(C#N)CCSC2)nnn1-c1ccccc1Cl 69900223 KRXAATZDLBBKLM-OAHLLOKOSA-N 347.831 2.358 30 40 EEEB Cc1ccnc(NC[C@@H]2CCN(CC(=O)NC3(C#N)CCCC3)C2)c1 97200689 SLXUVLOBRFRJTP-INIZCTEOSA-N 341.459 2.076 30 40 EEEB NC1=C(c2nc3ccccc3s2)C(=O)CN1/N=C/c1ccccn1 32616718 JJLSIKCKQVLHJY-AWQFTUOYSA-N 335.392 2.237 30 40 EEEB N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H](N3CCOCC3)C2)c1 97096934 WERMPKGDYICIBU-CYBMUJFWSA-N 325.334 2.488 30 40 EEEB Cn1cc(C(=O)NCC2CCN(c3cccc(F)c3C#N)CC2)cn1 69557302 WXLPDOPCLKQYPO-UHFFFAOYSA-N 341.390 2.077 30 40 EEEB Cc1nn(C)cc1CN1CCC[C@@H](COc2cc(C#N)ccn2)C1 1776008254 ABLKHMVTENFAJA-MRXNPFEDSA-N 325.416 2.286 30 40 EEEB Cc1ccoc1C(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 100871438 GKNKCHOPVBEXED-KBPBESRZSA-N 328.368 2.128 30 40 EEEB C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)CC1 79033098 YWSROZCESXQPFZ-RBUKOAKNSA-N 326.440 2.448 30 40 EEEB Cc1noc(C)c1CN1CCN(C(=O)C2(C#N)CCCCC2)CC1 57431003 NWFFPVSFIBKDHN-UHFFFAOYSA-N 330.432 2.410 30 40 EEEB Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(C#N)cc3)C2)n1 58264414 SNFGYGOLIABCNA-OAHLLOKOSA-N 325.372 2.339 30 40 EEEB CCSCC/C(O)=N/S(=O)(=O)c1cc(OC)ccc1OC 48493433 CUGYRSJMKHNZMD-UHFFFAOYSA-N 333.431 2.492 30 40 EEEB N#C[C@H](C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1ccccn1 95443085 XMTDFWXHNOVMRR-RDJZCZTQSA-N 334.379 2.348 30 40 EEEB C#CCN(Cc1ccc(F)cc1)Cn1nc(C)c2c(C)onc2c1=O 96403282 ZSUOPFLHIXKRGA-UHFFFAOYSA-N 340.358 2.233 30 40 EEEB Cc1cnc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 68532232 WMJXHCDODWFLQR-CQSZACIVSA-N 339.374 2.195 30 40 EEEB CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCOC 18037441 YGLKXFPAANEUKR-GZTJUZNOSA-N 332.360 2.092 30 40 EEEB N#Cc1cccc(COC(=O)CNC(=O)N2CCc3ccccc3C2)c1 69971430 KOSQZVKJTQOVRA-UHFFFAOYSA-N 349.390 2.369 30 40 EEEB COc1ccccc1/C(O)=N/S(=O)(=O)N1CCOc2ccccc21 69870546 OIFCYSJHNHJDNW-UHFFFAOYSA-N 348.380 2.144 30 40 EEEB COCCOc1ccc(C(=O)/C=C/c2nccc(OC)n2)cc1OC 585136258 YGTCMPYFLDLXFA-FNORWQNLSA-N 344.367 2.415 30 40 EEEB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1C#N 57843160 VOLCCDGAXQNEJV-CYBMUJFWSA-N 329.425 2.399 30 40 EEEB CN(C)C(=O)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 22514474 JCGCTAVSXJIQQL-UHFFFAOYSA-N 329.381 2.061 30 40 EEEB Cc1ccc(C#N)c(N2CCC(C(=O)N3CCSCC3)CC2)n1 2298183911 ASSAURGRLVVXTH-UHFFFAOYSA-N 330.457 2.054 30 40 EEEB N#Cc1ccc(CNC(=O)NCc2ccc3c(c2)OCCO3)c(F)c1 78555853 IDQHMOHXVAUNQK-UHFFFAOYSA-N 341.342 2.468 30 40 EEEB COC(=O)c1ccccc1S(=O)(=O)N(C)Cc1cccc(C#N)c1 56041628 YZYDYHZHOSOPBR-UHFFFAOYSA-N 344.392 2.166 30 40 EEEB CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\CC(C)C)NC2=O)cc1 36308402 GCIBVNPBTIJDMG-AWEZNQCLSA-N 347.440 2.461 30 40 EEEB C=CCN1CC2=C(C1=O)[C@@H](c1c(OC)ccc3ccccc13)NC(=O)N2 57531443 JPYILDZFZCPUMK-GOSISDBHSA-N 349.390 2.485 30 40 EEEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NC(C)(C)C)o2)o1 71283964 LQHOZOBWEGFUOI-UHFFFAOYSA-N 338.389 2.267 30 40 EEEB CN(C)/C=N/c1nc2ncc(-c3ccsc3)c(/N=C/N(C)C)n2n1 4041443 SYXREVUGBRFIFN-BEQMOXJMSA-N 342.432 2.296 30 40 EEEB COc1ccccc1NC(=O)C(C(C)=O)=C1SC(C(=O)O)S1 62716059 WQLZVAHTPSNNAA-UHFFFAOYSA-N 339.394 2.325 30 40 EEEB CC(C)CNC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238220 DIWHUELCHNWSFS-UHFFFAOYSA-N 342.424 2.173 30 40 EEEB O=C(O)C[C@H]1S/C(=N\c2ccc(Br)cc2)NC1=O 15015076 OPEIXTBPYIKSTI-MRVPVSSYSA-N 329.175 2.143 30 40 EEEB N#Cc1cccnc1SCC(=O)NCc1ccc2c(c1)OCO2 7051391 IGTNYHYNGACHDY-UHFFFAOYSA-N 327.365 2.090 30 40 EEEB Cc1cc(C)n(C[C@H]2CN(CCOc3ccc(C#N)cc3)CCO2)n1 69351339 DHRTYDDKCHUNMJ-LJQANCHMSA-N 340.427 2.151 30 40 EEEB C#CCN(C(=O)C/C=C/c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 96460900 PHDCALLGWJLTMP-BDUNBXCCSA-N 331.437 2.047 30 40 EEEB C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1cccc(Cl)c1 91588366 AOZOFGYTBNXSEG-UHFFFAOYSA-N 348.819 2.488 30 40 EEEB COc1cc(CN=C(N(C)C)N(C)C)cc(Br)c1OC 97001364 VBJDRGGOZLOQKN-UHFFFAOYSA-N 344.253 2.446 30 40 EEEB C#CCN1CCC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 72277420 RAVZJIBTOQDLAW-SFHVURJKSA-N 345.406 2.457 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c(F)c1 69537950 MSAVQCUYXKWITR-UHFFFAOYSA-N 339.374 2.260 30 40 EEEB C[C@H]1CCC[C@@](C#N)(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)C1 76066095 RSJGTVFADNZUFV-ORAYPTAESA-N 338.411 2.486 30 40 EEEB Cc1nc2c(c(N3C[C@@H]4CN(c5cccc(C#N)n5)C[C@@H]4C3)n1)CCC2 1888864095 LDENBENAFXEXIG-GASCZTMLSA-N 346.438 2.113 30 40 EEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cc2ccsc2)C1 225486483 WSNUNBCYZWWSJH-ZDUSSCGKSA-N 328.397 2.022 30 40 EEEB CC(C)(NCCS(=O)(=O)c1ccc(C#N)cc1)c1nccs1 78993108 CNHZDHNEKLTMAH-UHFFFAOYSA-N 335.454 2.313 30 40 EEEB CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1cccc(C#N)c1 11201815 LTQWUJLFSRCGQA-INIZCTEOSA-N 343.383 2.108 30 40 EEEB CCc1nnc(NCC(CC)(CC)S(C)(=O)=O)c(C#N)c1CC 95412112 QHPXDIRVYBDRLI-UHFFFAOYSA-N 338.477 2.488 30 40 EEEB Cc1ccc(C)c(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c1 4723510 LNSQPLPMXJHZCH-UHFFFAOYSA-N 343.339 2.454 30 40 EEEB C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1=O 4783713 NLXFVFUUURHGAH-GFCCVEGCSA-N 349.368 2.482 30 40 EEEB COc1cc(Cn2nc(C)c(C)c(C#N)c2=O)ccc1OC(F)F 7385136 ZUOQCBNXJCTQDO-UHFFFAOYSA-N 335.310 2.390 30 40 EEEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 7463278 OWHWLYFZCOFVMI-CJNGLKHVSA-N 333.384 2.092 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](N2CCCC2)C1 71886449 SBINZQHUZHWJKQ-INIZCTEOSA-N 343.427 2.032 30 40 EEEB CN(C)S(=O)(=O)c1ccc(OCCOc2ccc(C#N)cc2)cc1 8745848 WEMSXRXKDICOID-UHFFFAOYSA-N 346.408 2.266 30 40 EEEB COCCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 96415031 XRSANMJVCNHOHQ-UHFFFAOYSA-N 336.335 2.234 30 40 EEEB N#CC1(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)CCCC1 585110619 LRHHEYNKXIBLOG-INIZCTEOSA-N 339.439 2.316 30 40 EEEB COCCNC(=S)N/N=C/c1ccc(N2CCCCC2)s1 6299765 FAXSCYRUDWOJGC-LFIBNONCSA-N 326.491 2.183 30 40 EEEB CC(=O)N1N=C(C)C[C@]12CC[C@@H]1CN(C(=O)C3(C#N)CCCC3)C[C@@H]12 1565555789 PCEYBZOMHHBJFJ-GJYPPUQNSA-N 342.443 2.306 30 40 EEEB N#CC1(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)CCCC1 1565543420 YRPOMMNCRYSDSK-IKGGRYGDSA-N 341.411 2.303 30 40 EEEB CC/N=C1\S[C@@H](CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N1CC 100294958 JTCHGTAUIANYOR-ICDILTBESA-N 349.412 2.053 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(O)cc1 103874362 NECDYWDXGYMKNC-IDTYTIONSA-N 343.335 2.053 30 40 EEEB COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 46709158 NXRVCHXTZAOEJM-UHFFFAOYSA-N 348.380 2.347 30 40 EEEB N#Cc1ccc(SCC(=O)NCCNc2ncccc2C#N)cc1 69379405 NYLMHKXFWPRVQG-UHFFFAOYSA-N 337.408 2.145 30 40 EEEB COc1ccc([C@H]2C[C@@H]2C(=O)NCCNc2ncccc2C#N)cc1 69560605 NNBCTYBXRIRRMZ-SJORKVTESA-N 336.395 2.294 30 40 EEEB CC(C)(C)NC(=O)[C@@H]1CCCCN1CC(=O)Nc1cccc(C#N)c1 69616684 ZGDOCKWWZWZTMP-INIZCTEOSA-N 342.443 2.266 30 40 EEEB N#Cc1cc(NC(=O)NCc2cccnc2)ncc1Br 95946240 KJPRNAQNRQGDQP-UHFFFAOYSA-N 332.161 2.432 30 40 EEEB COc1ccc(N/C=C2\C(=O)C=C(C)OC2=O)cc1-c1nnc(C)o1 1547200873 MURYQRBZQAWYFD-MDWZMJQESA-N 341.323 2.379 30 40 EEEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 222286216 CQGBJIWEJYYPTB-UTGUTCBTSA-N 339.351 2.434 30 40 EEEB CC1(Nc2nc(CC(=O)N3CCOC[C@@H]3C#N)cs2)CCCC1 1616038156 HQWJQARMXWFSAY-ZDUSSCGKSA-N 334.445 2.181 30 40 EEEB CO[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1ccsc1 96097462 OIWBNUOPOKSVJJ-CQSZACIVSA-N 329.381 2.062 30 40 EEEB Cc1ccccc1CCNC(=O)CON=C1CCC2(CC1)OCCO2 54232555 FKSJLWQDJAMWQQ-UHFFFAOYSA-N 346.427 2.343 30 40 EEEB N#Cc1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)nc1 54368944 FQQKOGZVBMOWLX-UHFFFAOYSA-N 336.395 2.047 30 40 EEEB C=CC/N=C(\NCc1ccccn1)NC[C@H](C)Cn1nc(C)cc1C 95350526 LQVZQZZUZCRAKQ-HNNXBMFYSA-N 340.475 2.452 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)c1 1775976616 CHVRGQXCYMEBBR-UHFFFAOYSA-N 332.367 2.330 30 40 EEEB Cc1cc(Br)cc2c1NC(=O)/C2=N\Nc1ncccn1 47951737 UKFCUASYFVXXKF-UHFFFAOYSA-N 332.161 2.316 30 40 EEEB C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 8225310 QRZPJBVSWAGDER-LBPRGKRZSA-N 344.392 2.369 30 40 EEEB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1C#N 3541751 OLNJYVKVGYJSGH-UHFFFAOYSA-N 340.358 2.206 30 40 EEEB C=CCNC(=O)[C@@H](C)Sc1nc2ccccc2c2nc(C)nn12 13230454 PLKROYIJLURVTB-SNVBAGLBSA-N 327.413 2.369 30 40 EEEB N#Cc1ccccc1N1CCN(C(=O)COCc2ccccc2)CC1 66104871 LTPGKAICNBCBPT-UHFFFAOYSA-N 335.407 2.424 30 40 EEEB in-vitro CN1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1=O 68457950 ZZGMXWXYWLOTGF-CABZTGNLSA-N 326.183 2.153 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(O)cc(C(F)(F)F)n1 69629919 IWJVROLMYJEILK-GFCCVEGCSA-N 348.350 2.348 30 40 EEEB C=C(Br)CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1 71186293 SVIXLWFZTNTQAE-LLVKDONJSA-N 347.278 2.103 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N\Cc2ccccc2)C1=O 408526571 DWSWOEQRCROAIY-DKNZLLBESA-N 335.363 2.465 30 40 EEEB C=CCNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)O)c1 217569271 AOGMVBJRXOZIQH-UHFFFAOYSA-N 336.369 2.054 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C(=O)N[C@H](C)CC 68547077 DWCOMYNEDDBCPN-VXGBXAGGSA-N 332.404 2.382 30 40 EEEB CN(C(=O)Nc1cccc(Cl)c1)C1CN(c2nccnc2C#N)C1 1776008636 LJJDHOBIEBNCDI-UHFFFAOYSA-N 342.790 2.354 30 40 EEEB Cc1cc([C@@H](C#N)C(=O)CNC(=O)OCc2ccccc2)nc(C)n1 58280545 RAGXIIHTDYIZTP-OAHLLOKOSA-N 338.367 2.196 30 40 EEEB C=CCNC(=O)CN1CCN(CCSc2ccc(C)c(C)c2)CC1 40115529 IQSYGADWYPHIHG-UHFFFAOYSA-N 347.528 2.315 30 40 EEEB N#CCCN1CCN([C@@H](C(=O)O)c2c[nH]c3cccc(Cl)c23)CC1 20725491 PYSKRYZIAWMFDU-MRXNPFEDSA-N 346.818 2.478 30 40 EEEB CN(C/C(O)=N/c1nc(-c2ccccn2)n[nH]1)C(=O)c1cccs1 53526929 APVZCVJUKASVNR-UHFFFAOYSA-N 342.384 2.288 30 40 EEEB COC(=O)CC(=O)/C(=N/Nc1ccc(Cl)cc1Cl)C(=O)OC 100915102 RTFAKFVIKVEDSN-ATVHPVEESA-N 347.154 2.067 30 40 EEEB O=C1C[C@H](/C(O)=N/S(=O)(=O)c2ccccc2)CN1c1ccccc1 48406168 NSTNEGLFDRBBRO-ZDUSSCGKSA-N 344.392 2.385 30 40 EEEB Cc1nnc(N2CC[C@H](CNc3ccc(C#N)cn3)C2)c(C#N)c1C 65496647 WWKKBOOHVBSWOH-OAHLLOKOSA-N 333.399 2.170 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)c2ccoc2)nc1 69697825 HWYCHCMOUZZLDS-AWEZNQCLSA-N 347.396 2.195 30 40 EEEB C#CCOc1ccc(N(C)S(=O)(=O)c2cn(C(C)C)cn2)cc1 95973667 ZAAHVAGVTUHNRU-UHFFFAOYSA-N 333.413 2.301 30 40 EEEB N#CCCN(CC1CC1)S(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 184999085 CVKHTSSMUNJMLL-UHFFFAOYSA-N 342.804 2.353 30 40 EEEB Cc1cccc(CC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1 225481787 MVTGAKFSAHUOFH-INIZCTEOSA-N 336.395 2.269 30 40 EEEB N/C(=N/Cc1ccc(Cn2cnc3ccccc32)cc1)N1CCOCC1 195529978 JWMAKBURMMKOGO-UHFFFAOYSA-N 349.438 2.232 30 40 EEEB C[C@H](Cc1ccncc1)/N=C(/O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O 329090938 WRNQCXDBECSVRD-NOCIGQNYSA-N 347.459 2.179 30 40 EEEB N#CCC[C@@H](C#N)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 96452419 NDWCWIHYKNHJQQ-KRWDZBQOSA-N 342.418 2.346 30 40 EEEB N#Cc1ccccc1OCCN1CCN(C(=O)C2(C(F)F)CC2)CC1 1615586425 NMKXAINEUMOLAN-UHFFFAOYSA-N 349.381 2.127 30 40 EEEB COc1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)sn1 585123941 RJYDRYWOFWKRIS-UHFFFAOYSA-N 343.408 2.459 30 40 EEEB C[C@H]1CCCC[C@]12CC(=O)NN2C(=O)CNc1ccc(C#N)cc1 585141102 PMFSMGHWQPJIFI-UGSOOPFHSA-N 326.400 2.183 30 40 EEEB CSc1ncc(C#N)c(N2CC[C@@H](Oc3ccncc3C)C2)n1 1889096048 PFGIQIWFTMRAHS-CYBMUJFWSA-N 327.413 2.431 30 40 EEEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1CC 100896272 ORCGPFDYBFATGA-CMTMBAJVSA-N 349.412 2.084 30 40 EEEB CC(C)(CNC(=O)Nc1ccc(C#N)c(Cl)c1)N1CCOCC1 40526451 ZTIKORWMTOLGKS-UHFFFAOYSA-N 336.823 2.444 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 51614919 KLMVSVGEAAAOHC-UHFFFAOYSA-N 338.367 2.053 30 40 EEEB Cc1cc(=O)oc2cc(OCC(=O)N[C@](C)(C#N)C3CC3)ccc12 21458198 ZUVOJFMQELMDCB-GOSISDBHSA-N 326.352 2.289 30 40 EEEB CCN(CC)C(=O)[C@H](C#N)C(=O)c1cnn(-c2ccccc2F)c1 103717356 PVIDCAYBEDZBRK-CYBMUJFWSA-N 328.347 2.202 30 40 EEEB CC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 315612 ALCQAKZZZWYPDW-SNVBAGLBSA-N 329.234 2.354 30 40 EEEB CCN1C(=O)/C(=C/c2ccc(Cl)nc2)S/C1=N/n1cnnc1 100199696 ZQXUZSJKVIQLMP-FGWWWFEMSA-N 334.792 2.082 30 40 EEEB C[C@H](NC(=O)COCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 9833629 BGWQXYPZTWKCGH-AWEZNQCLSA-N 337.379 2.391 30 40 EEEB C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69490885 GJDJNTHQLJKYRY-WBAXXEDZSA-N 327.428 2.411 30 40 EEEB Cc1ccc(C(=O)NCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 8746673 YTLFSSSULOOPSN-CQSZACIVSA-N 332.363 2.478 30 40 EEEB N/C(=N/CCCS(=O)(=O)Cc1ccccc1)N1CCCCCC1 97228082 FBIBRRMIHJCSAC-UHFFFAOYSA-N 337.489 2.182 30 40 EEEB C=CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 84670933 UDJNVYHVFDOHDD-ILXRZTDVSA-N 325.474 2.427 30 40 EEEB C=CCNC(=O)NC(=O)[C@@H](C)Sc1nc2c(cc1C#N)CCCC2 73920901 OLALBZXVQZVDRQ-LLVKDONJSA-N 344.440 2.324 30 40 EEEB C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O 95912414 QOAOBBJDPFYUKJ-RVMSTXCCSA-N 346.423 2.225 30 40 EEEB biogenic,in-vitro C=CCN1CCC(NC(=O)c2cn(-c3ccc(OC)cc3)cn2)CC1 226752121 XLZQIOLYJQHAHT-UHFFFAOYSA-N 340.427 2.261 30 40 EEEB O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)NO 75172961 ZHMXJSMAHROGDG-UHFFFAOYSA-N 344.805 2.041 30 40 EEEB Cn1ncc(C#N)c1NS(=O)(=O)Cc1ccccc1C(F)(F)F 195573221 RJLCLCUOTQZLJS-UHFFFAOYSA-N 344.318 2.252 30 40 EEEB C[C@H](NC(=O)NCCc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C 252490520 KWEXVNZZQNXPAV-CABCVRRESA-N 342.443 2.189 30 40 EEEB C=CC[C@@H](CC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 281604584 SCONUODBYLHBLI-GFCCVEGCSA-N 331.459 2.032 30 40 EEEB CCO[C@@H]1C[C@@H](O)C12CCN(c1nc3ncccc3cc1C#N)CC2 596143678 GIZQVQPTKNPTRT-HZPDHXFCSA-N 338.411 2.258 30 40 EEEB Cc1cnc(C(=O)N2CCN([C@H](C#N)C3CCCCC3)CC2)cn1 57232799 MBLZWNBEHRXARF-QGZVFWFLSA-N 327.432 2.015 30 40 EEEB COc1cc(/C=C2\NC(=O)NC2=O)ccc1OCc1ccccc1C#N 15012642 XUDFYXVITRIDRT-NVNXTCNLSA-N 349.346 2.326 30 40 EEEB Cc1ccc(SCc2c[n+]([O-])c(/N=C\N(C)C)c(C#N)n2)cc1 4276820 AZWWVEPAGZKABK-WQRHYEAKSA-N 327.413 2.409 30 40 EEEB C=CCN(C#N)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 118972 DCSPGJZYSRVGGM-UHFFFAOYSA-N 327.436 2.326 30 40 EEEB C#CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2OC)c2ccccc21 299943 OZIVDVLMBBNGJV-HXUWFJFHSA-N 335.359 2.136 30 40 EEEB C=CCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704589 QCYCKHFCVGCHBE-UHFFFAOYSA-N 330.409 2.431 30 40 EEEB Cn1cc([C@H]2C[C@H]2C(=O)N2CCCN(c3ccc(C#N)cc3)CC2)cn1 71841376 WGGQKTNJCNHYML-RTBURBONSA-N 349.438 2.134 30 40 EEEB CCc1ccc2c(Cn3nc(C)c(C)c(C#N)c3=O)cc(=O)oc2c1 7384520 BGDCCTXOOKPOAI-UHFFFAOYSA-N 335.363 2.449 30 40 EEEB CCc1nc([C@@H]2CCCN(C(=O)c3ccc(C#N)c(C)n3)C2)no1 67885371 AUFUOYLJOMXRGX-CYBMUJFWSA-N 325.372 2.227 30 40 EEEB Cn1cc(C(=O)NC2CCN(c3ccc(Cl)cc3C#N)CC2)cn1 69698699 MKJCHLKFFSWULU-UHFFFAOYSA-N 343.818 2.344 30 40 EEEB Cn1cc(N2CCN(c3ccc(Br)cc3C#N)CC2)cn1 97083899 LLPPZLSAMAFONW-UHFFFAOYSA-N 346.232 2.381 30 40 EEEB N#Cc1cc(N2CCC(NCCO)CC2)nc2ccc(Cl)cc12 92689484 KKKILISZQPPLMH-UHFFFAOYSA-N 330.819 2.311 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C(\C)Nc2ccc(OCC)cc2)C1=O 9009325 IYWIKSRODPWPEF-KAMYIIQDSA-N 329.356 2.036 30 40 EEEB COc1cc(/C=C/C(=O)ON2C(=O)CCC2=O)ccc1OC(C)C 97940143 LKGNFRCJESTXDR-WEVVVXLNSA-N 333.340 2.103 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccccc1SC(F)(F)F 51617015 UGUXDFKHJALAQE-UHFFFAOYSA-N 331.319 2.169 30 40 EEEB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1OC 11530860 LOJKESZLCNLWNO-KZULUSFZSA-N 348.399 2.304 30 40 EEEB CC(C)c1noc(CN2C[C@H]3CN(c4ncccc4C#N)C[C@H]3C2)n1 2086946004 LPFBTVVTGXCHEA-GASCZTMLSA-N 338.415 2.028 30 40 EEEB Cc1cccc(NC(=O)COc2ccc(/C=N/n3cnnc3)cc2)c1 2995657 FKCRUZHAMFWNKJ-UFFVCSGVSA-N 335.367 2.486 30 40 EEEB CS(=O)(=O)CCNC(=O)Nc1ccccc1C#Cc1ccccc1 78973423 JKCLITDZMPYHES-UHFFFAOYSA-N 342.420 2.253 30 40 EEEB C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O 3780852 UQWLOWFDKAFKAP-WXHSDQCUSA-N 325.455 2.399 30 40 EEEB in-man Cc1csc(-n2c(C)cc(C(=O)Cn3cnc(C#N)n3)c2C)n1 12986470 DBBQITXQPZQSIC-UHFFFAOYSA-N 326.385 2.205 30 40 EEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 408709571 UGVDDZWOUMDBET-UKRRQHHQSA-N 343.427 2.236 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)OC[C@H]2CCCO2)cc1 69282250 CSYKIHZXFJIZAP-QWHCGFSZSA-N 327.402 2.224 30 40 EEEB N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccnc2)cc1 69814479 SRECPDIIPQBHEX-OAHLLOKOSA-N 338.392 2.107 30 40 EEEB CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccccc1C#N 18263499 QCVWUKLKXSCALQ-UHFFFAOYSA-N 330.365 2.287 30 40 EEEB N#CCCCS(=O)(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984242 RRVUABHBMFWLRC-ZIAGYGMSSA-N 328.821 2.393 30 40 EEEB CC(C)C[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O 3086824 XOMHVLOQFFOXKX-YFKPBYRVSA-N 327.196 2.435 30 40 EEEB biogenic C=CCOc1cc(C(=O)NCCCN2CCOCC2)cc2occc12 72240267 OGRSQIUJBIAOIV-UHFFFAOYSA-N 344.411 2.450 30 40 EEEB C#CC[C@H](N)[C@@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 71613496 NGHDGHPWUHCBEJ-OALUTQOASA-N 349.386 2.394 30 40 EEEB C=CCN(CC=C)C(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241423 FAASMOJIOSLCGB-IRXDYDNUSA-N 348.830 2.439 30 40 EEEB N#Cc1cccc(NC(=O)C(=O)NCC2(c3ccccc3F)CC2)c1 77780826 PDWAEWYCILZSLG-UHFFFAOYSA-N 337.354 2.484 30 40 EEEB CCN=C(NCC)S[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1=O 2490442 NWXQZURBJNMWLE-CQSZACIVSA-N 349.456 2.436 30 40 EEEB OC1=Nc2c(Br)cc(F)cc2/C1=N\N1CCOCC1 22356072 RHKPBXPUEIOBJX-UHFFFAOYSA-N 328.141 2.226 30 40 EEEB C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)NC)c2)c1 55722602 VXZDUXGXSLZWTK-UHFFFAOYSA-N 346.408 2.412 30 40 EEEB CCCNC(=O)c1c(/N=C/c2cc(OC)ccc2OC)cnn1C 2797719 NUTKUIGSCANTSS-VXLYETTFSA-N 330.388 2.328 30 40 EEEB Cc1c(CC(=O)NCC#N)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 9304860 IPMWOBSGGSRMPQ-UHFFFAOYSA-N 340.379 2.387 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 15935820 REZUHORUFJJWPX-UHFFFAOYSA-N 333.457 2.197 30 40 EEEB C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3611185 YSNNHCCNMYAABP-UHFFFAOYSA-N 342.420 2.354 30 40 EEEB CCOC(=O)c1c(NC(C)=O)sc2c1CCC/C2=N\OC(C)=O 365828 WENWTCKQEKYVPF-GZTJUZNOSA-N 338.385 2.487 30 40 EEEB N#Cc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2cccs2)cc1 78936327 RVWVRGCQIJKDDH-AWEZNQCLSA-N 326.381 2.325 30 40 EEEB CCc1nnc(NC(=O)CCc2c(C)nn(CCC#N)c2C)s1 13017170 ZKIGWIOIIZUDCB-UHFFFAOYSA-N 332.433 2.399 30 40 EEEB N#C[C@@H](C(=O)CCc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 48976557 CEMZFLUAOPZVGB-CABCVRRESA-N 334.803 2.277 30 40 EEEB C#CCOc1ccc(CCNC(=O)N2CC[C@H](N3CCCC3)C2)cc1 66192805 CRHVKRZMNAHYFJ-SFHVURJKSA-N 341.455 2.121 30 40 EEEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4ccc(F)cc4)c3nc12 6809463 RLNALQFZUZTLBF-UHFFFAOYSA-N 346.321 2.318 30 40 EEEB Cn1c(C2=C(N)N(Cc3ccccc3F)CC2=O)nc2ccccc21 19820073 RLPCUODSIYJDQJ-UHFFFAOYSA-N 336.370 2.425 30 40 EEEB N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 80793593 KUGIEXKCZNVFJU-CQSZACIVSA-N 339.374 2.020 30 40 EEEB Cc1noc(C)c1CC/C(O)=N/S(=O)(=O)N1CCc2ccccc21 71859324 YYZOCQVUPSVNMG-UHFFFAOYSA-N 349.412 2.488 30 40 EEEB C[C@H](NC(=O)NCc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C 69348121 CMDMLSPMFXBTMG-KBPBESRZSA-N 328.416 2.147 30 40 EEEB COC(=O)[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 69456303 JAPVFKVTVNRASZ-NSHDSACASA-N 328.324 2.022 30 40 EEEB C#CCN1CCC(C(=O)NCc2ccc(Br)cc2)CC1 69743099 YTDFVOXFDOLPAN-UHFFFAOYSA-N 335.245 2.411 30 40 EEEB C[C@@H](N[C@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N(C)CCC#N 76046826 LAXKDYBDDBVHGK-HIFRSBDPSA-N 331.464 2.366 30 40 EEEB C#C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCO1 521393977 OWTHZKRVALNESY-KGLIPLIRSA-N 335.787 2.412 30 40 EEEB COc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1O 409033810 LZELKOBSHKJZAN-FRLGYANCSA-N 346.770 2.195 30 40 EEEB C=CCN1CCCC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]21 72330679 SUBLFQQMCMYCBY-WMLDXEAASA-N 338.448 2.487 30 40 EEEB N#Cc1ccccc1Cn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2 40267113 VKTDJKJGUTXUAJ-UHFFFAOYSA-N 349.325 2.092 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)C4CC(F)C4)C3)CC2=O)cc1 585101628 ZFSPDIXKMBUPFY-JFIBYHEFSA-N 341.386 2.262 30 40 EEEB CCOc1cc(C#N)ccc1OCC(=O)OCC(=O)c1ccc[nH]1 17730778 AQNPQMNCBFCQBT-UHFFFAOYSA-N 328.324 2.090 30 40 EEEB CC(=O)/N=C1\NC(=O)/C(=C/c2cc(Cl)ccc2OC(C)=O)S1 4526101 WINFJOJZXQRLOX-SDQBBNPISA-N 338.772 2.372 30 40 EEEB Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C 47460743 AKRQXIUYJDHGHL-UHFFFAOYSA-N 339.399 2.033 30 40 EEEB O=C1CCCC(=O)C1=CNc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 3623978 MWSZCNAEZJNSHV-HNNXBMFYSA-N 342.395 2.213 30 40 EEEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccccc2C#N)C1=O 58208501 ZYVZPCZKFMZJOA-LJQANCHMSA-N 330.347 2.397 30 40 EEEB C=CCN1C[C@@H](c2nc3ccccc3n2CC(=O)OCC)CC1=O 27792521 YWXPRSYFZZEJGM-ZDUSSCGKSA-N 327.384 2.101 30 40 EEEB N#C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1Cl 66394715 OWIUYOGBBBVJLZ-KCJUWKMLSA-N 347.223 2.109 30 40 EEEB C=C(Br)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 69896814 WYZVXSKAMHQQMH-CQSZACIVSA-N 334.173 2.234 30 40 EEEB CCOC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2C#N)C1 72301966 MTBHGCLOYCMHKH-GFCCVEGCSA-N 326.393 2.135 30 40 EEEB C/N=C(\NCc1ccon1)N(C)Cc1cc(OC)c(OC)cc1C 195538082 UMCKYRXXNUOJGK-UHFFFAOYSA-N 332.404 2.208 30 40 EEEB Cc1c(Br)cccc1S(=O)(=O)N(CC#N)C1CC1 96446601 QFYMOZXZGREQJK-UHFFFAOYSA-N 329.219 2.434 30 40 EEEB Cc1nc(N2CCC[C@@H](CN3CC[C@H](O)C3)C2)c(Cl)cc1C#N 585132803 WOXOUUVBUUMOPG-ZFWWWQNUSA-N 334.851 2.198 30 40 EEEB CCc1ccc(C2=C(C(C)=O)Sc3nncn3N2C(C)=O)cc1 5223718 KKBJVBBWGFQVPX-UHFFFAOYSA-N 328.397 2.389 30 40 EEEB CNC(=S)N/N=C(C)\C=N\Nc1ccc(Br)cc1 17063084 FVARYXUILIRAMV-GOBHWCIESA-N 328.239 2.317 30 40 EEEB N#Cc1cccnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1 1889096352 RZJNYAWTABNXBC-UHFFFAOYSA-N 334.370 2.427 30 40 EEEB Cc1c(C#N)c(NC(=O)CN2CCOCC2)n(C2CCCC2)c1C 23995613 LJIAPJKUQJUAOK-UHFFFAOYSA-N 330.432 2.362 30 40 EEEB COC(=O)[C@H](C#N)[C@@](C#N)(C(=O)OC)[C@@H]1C[C@@H](C(C)(C)C)CCC1=O 85409334 VVYTXKBROITZSS-YFQWEKLQSA-N 348.399 2.014 30 40 EEEB CCCCCCCC(=O)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 101245964 PCRQVRBKWPPWRE-INIZCTEOSA-N 344.521 2.115 30 40 EEEB COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(O)c1 22123528 FTBXUMDEZMVEEK-APPDUMDISA-N 334.372 2.001 30 40 EEEB CCn1ncc([C@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O 570601 AFMHJYBUMLLVDU-JTQLQIEISA-N 327.775 2.459 30 40 EEEB C=CC[C@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4028758 WSHQZPHRZYRCMK-GMKVZWAMSA-N 341.363 2.011 30 40 EEEB biogenic C#CCN1CCC(C(=O)NCC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 66921734 CQDXUHHUIAIMOF-CALCHBBNSA-N 333.520 2.204 30 40 EEEB COc1ccc(-n2nc(C(=O)Nc3nn(C)cc3C#N)cc2C)cc1 92441627 LMTWVNUPVGYIIN-UHFFFAOYSA-N 336.355 2.047 30 40 EEEB N#Cc1cccnc1N1CCCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 95987208 XSMAKLFDJFNHDI-RTBURBONSA-N 334.423 2.124 30 40 EEEB CN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1 225736359 BTCJXTFDIIHTFH-UHFFFAOYSA-N 343.408 2.012 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C2CCCCC2)cc1 95433144 ZAFZRSBLVUPHSV-DOTOQJQBSA-N 334.441 2.262 30 40 EEEB N#C[C@]1(C(=O)O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 242648785 RHTDWAWNXDHRHS-UXLLHSPISA-N 345.351 2.360 30 40 EEEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c1 205739900 ZFQIUTWBRITJGV-UKTHLTGXSA-N 333.365 2.461 30 40 EEEB N#Cc1ccc(N2CCCN(c3cc(C4CCC4)ncn3)CC2)nn1 2086884810 BNOMUPNUEFMSAK-UHFFFAOYSA-N 335.415 2.122 30 40 EEEB C=CCSCC(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 52941336 RATSFYUONHEDOZ-NSHDSACASA-N 328.459 2.155 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1N1CCc2c(Cl)cccc2C1 78296646 ASNBHYIWORTOOQ-UHFFFAOYSA-N 347.827 2.422 30 40 EEEB CCOC/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 78775881 XZUQWRYXJCOHAV-UHFFFAOYSA-N 336.291 2.259 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 6509940 LFRIOHKALFQLRU-UHFFFAOYSA-N 327.409 2.069 30 40 EEEB Cn1c(Oc2ccc(-c3ccccc3)cc2)c(C#N)c(=O)n(C)c1=O 14205068 FCFJDVRKQQIBRV-UHFFFAOYSA-N 333.347 2.415 30 40 EEEB CC(C)[C@H](O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 84410377 UEJPWEYRRNWXNU-OAHLLOKOSA-N 328.368 2.477 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1NCCCOC1CCCCC1 69737408 IDYIAPSISNXPIJ-UHFFFAOYSA-N 337.445 2.357 30 40 EEEB C=CCN1CC[C@]2(CN(C(=O)Cc3cccc(OC)c3)C[C@H]2C)C1=O 96201696 NPRPYFREPPUWNL-FOIQADDNSA-N 342.439 2.121 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(C(=O)c4ccncc4)C3)C2)c1 96218907 CZVCZVKRHWCXCU-UYAOXDASSA-N 348.406 2.439 30 40 EEEB CS(=O)(=O)c1cnc(S)c(C#N)c1-c1cccc([N+](=O)[O-])c1 95097898 QFSSRIBXVDHJSB-UHFFFAOYSA-N 335.366 2.221 30 40 EEEB C#CCCCC(=O)NC[C@H](N(C)C(=O)CCCC#C)C(F)(F)F 585131154 NBNAUSGUQIVJTC-ZDUSSCGKSA-N 330.350 2.099 30 40 EEEB C/C(Cc1ccccc1)=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4429518 MDLYJQMAOSZFKC-VBKFSLOCSA-N 333.369 2.492 30 40 EEEB Cc1csc([C@H](C#N)C(=O)c2ccc(N3CCNC3=O)cc2)n1 41517191 QBTKHMHSYPMXHH-CYBMUJFWSA-N 326.381 2.471 30 40 EEEB CNC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 78948067 AIBOGKLDVVXQQP-CQSZACIVSA-N 332.363 2.423 30 40 EEEB Cc1ccc(-c2ccc(=O)n(CC(=O)NC3(C#N)CCCC3)n2)s1 58244083 BVQHSIPZIJRLEA-UHFFFAOYSA-N 342.424 2.233 30 40 EEEB N#Cc1cc(N)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 20135200 DDOAZBVHELHJNL-UHFFFAOYSA-N 336.395 2.191 30 40 EEEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1OC 104637471 OJDDUZKUJQVSRB-FBJXDXQOSA-N 340.379 2.235 30 40 EEEB COC(=O)c1sccc1S(=O)(=O)/N=C(\O)COC1CCCC1 48513201 PIBVVXWUTLMYMA-UHFFFAOYSA-N 347.414 2.139 30 40 EEEB COc1cc([C@@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)ccc1O 12347332 LHAYPQUJVPMBCX-CYBMUJFWSA-N 327.340 2.394 30 40 EEEB C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 95966248 RJFMHXFAUDIOSC-HNNXBMFYSA-N 335.407 2.426 30 40 EEEB C=CC[C@@H]1N(c2ccccc2C)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 4029003 YVOPSVWVGZDOKC-XZLOLGPPSA-N 325.364 2.311 30 40 EEEB biogenic COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](Cc2cnn(C)c2)C1 83216943 GZICZUJDAHHEKD-YJBOKZPZSA-N 338.411 2.070 30 40 EEEB NC(=S)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCC1 4468956 DVYVGVUQPVXEAM-JAIQZWGSSA-N 344.362 2.382 30 40 EEEB N#Cc1ccc(NC(=O)CCN(CCO)Cc2ccsc2)cc1 71911898 ASPSYYCBDATWMJ-UHFFFAOYSA-N 329.425 2.443 30 40 EEEB O=C1C2=C(Nc3nnnn3[C@H]2c2ccc3c(c2)OCO3)c2ccccc21 18196121 HEEIQLYVENBDAZ-INIZCTEOSA-N 345.318 2.024 30 40 EEEB C=CCC[C@@H](O)CN1CCN(c2ccc(Br)cn2)CC1 95966188 PUFJPJYMPLITFZ-CQSZACIVSA-N 340.265 2.293 30 40 EEEB N#Cc1cnc(N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(Cl)c1 96483188 DZBZFUHKYOXGQE-AWEZNQCLSA-N 348.834 2.214 30 40 EEEB N#Cc1cccc(OCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 47368451 JMNMMUOWBGEQNM-UHFFFAOYSA-N 337.291 2.141 30 40 EEEB N#Cc1ccc(OCCN2CCN(C(=O)c3ccsc3)CC2)cc1 52239701 RMSDLGZCMSEYQG-UHFFFAOYSA-N 341.436 2.457 30 40 EEEB COc1cc(C(=O)ON=C2C[C@H]3CC[C@H](C2)N3C)cc(OC)c1OC 100243567 VRJOZKQKYDFLGF-ZIAGYGMSSA-N 348.399 2.482 30 40 EEEB biogenic,in-vitro C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)NC(=O)c1ccoc1 58290371 MRHUHGVFYBIBCU-ZDUSSCGKSA-N 328.343 2.199 30 40 EEEB C[C@H]1CN([C@@H](C/N=C(\N)N(C)C)c2c(F)cccc2Cl)CCO1 170912655 WWVIKNYFFNTSTI-FZMZJTMJSA-N 342.846 2.117 30 40 EEEB Cc1cccc(C(N)=O)c1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O 84225079 XVDDWZVOWQRNSO-INIZCTEOSA-N 334.379 2.183 30 40 EEEB N#Cc1cc(COC(=O)CCc2nc(-c3ccccn3)no2)ccn1 72314154 PLGUSKUSTBGTHB-UHFFFAOYSA-N 335.323 2.074 30 40 EEEB N#Cc1ccccc1COC(=O)CCn1cnc2ccccc2c1=O 26128544 PUZUQKRBYFNJNJ-UHFFFAOYSA-N 333.347 2.402 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)c4cccnc4)C3)CC2=O)cc1 96238846 JQCNHDYZGXCMNF-HXUWFJFHSA-N 346.390 2.222 30 40 EEEB C[C@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53C(=O)O4)[C@H]1CC[C@H]2C(N)=O 254835549 CZKZKAGMTSAFJC-FLVPGIQOSA-N 343.423 2.279 30 40 EEEB N#Cc1cccc(NC(=O)CCN2CCC(N3CCCC3)CC2)c1 66533022 XDRHBDNVCYRHCZ-UHFFFAOYSA-N 326.444 2.447 30 40 EEEB C=CCc1cc(/C=C2\SC(=O)NC2=O)cc(OC)c1OCC(=O)O 16195377 OQTZQNRJVIKZHF-GHXNOFRVSA-N 349.364 2.211 30 40 EEEB N#CCCN(C(=O)COC(=O)c1ccncc1)c1ccc(F)cc1 8313247 MSSJYKDZHHETDX-UHFFFAOYSA-N 327.315 2.324 30 40 EEEB C=CCNC(=O)NC(=O)CSc1nnc(C)n1C1CCCCC1 10014712 DRCWTBZWHKTMMJ-UHFFFAOYSA-N 337.449 2.196 30 40 EEEB C=CCN(CC(F)(F)F)C(=O)CCN1C(=O)c2ccccc2C1=O 58289695 BCMOJRMOHSIKSZ-UHFFFAOYSA-N 340.301 2.250 30 40 EEEB C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1O 409088145 DUCLPOHKKLQXFM-MDWZMJQESA-N 332.381 2.236 30 40 EEEB CCO[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 71825591 BKAMFKJNCDUFAT-QGZVFWFLSA-N 342.443 2.197 30 40 EEEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[C@H]2CCCO2)CC1 71851784 KUFNPHONJDGYRG-SJORKVTESA-N 331.391 2.104 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1 23732063 NQLMLGSYCBCODM-UHFFFAOYSA-N 347.465 2.126 30 40 EEEB Cc1ccnc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)n1 97114641 ALVZDNZBQPYUMK-HNNXBMFYSA-N 328.397 2.086 30 40 EEEB CN(CCOc1ccccc1F)c1ncnc2c1cnn2CCC#N 97200356 IWPBHNXFURLVBA-UHFFFAOYSA-N 340.362 2.394 30 40 EEEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(O)cc2)C1=O 409079051 KMHSAZAIZGDBDB-XFXZXTDPSA-N 347.392 2.350 30 40 EEEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 408750142 KUYKYXCCPTZTHC-ZDLGFXPLSA-N 326.312 2.456 30 40 EEEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cscn3)C2)c1 1776001278 JHAXMPYQXKUCIG-CYBMUJFWSA-N 328.397 2.341 30 40 EEEB CCOc1ccc(NC(=S)N/C=C2/C(=O)C=C(C)OC2=O)cc1 5841719 FYFWKWOPAGKLAC-LCYFTJDESA-N 332.381 2.285 30 40 EEEB CC(=O)ONC(=O)CSc1nn2cc(-c3ccccc3)nc2s1 13215208 ACADUZFHRANLKR-UHFFFAOYSA-N 348.409 2.144 30 40 EEEB CC1=NN(C(N)=S)C(=O)/C1=N/Nc1ccc(Cl)cc1Cl 100008687 CBLIOOCEPVHBDM-CXUHLZMHSA-N 330.200 2.223 30 40 EEEB N#Cc1cnc(SCC(=O)N2CCCc3ccccc32)nc1N 410801 UZRNQBPRXCYDEY-UHFFFAOYSA-N 325.397 2.002 30 40 EEEB CCCCn1c(S[C@H](C)C#N)nc2cc(S(N)(=O)=O)ccc21 6166027 AXTKVYRADDAPPW-SNVBAGLBSA-N 338.458 2.488 30 40 EEEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)CC)cc21 9171106 NMFLHGFOJLKGRH-UHFFFAOYSA-N 338.429 2.386 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C(C)C)s1 25051508 OOIXSOYPTIXHCF-UHFFFAOYSA-N 345.428 2.410 30 40 EEEB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CCc1ccc(C#N)cc1 102746703 BOVOZMYZZLITSB-ONIAQPFYSA-N 326.396 2.195 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2CC(=O)N(C(C)C)C2)cc1C 48474338 DUNZCYZXFZDXQM-CYBMUJFWSA-N 338.429 2.206 30 40 EEEB C#CCn1cc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)c2ccccc21 408901859 HZJMNLLCOBAQHY-RVDMUPIBSA-N 349.415 2.087 30 40 EEEB C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N(C)Cc1ccccc1 7046162 FOEMMKQCOZYRGM-NSHDSACASA-N 327.413 2.070 30 40 EEEB CN1C(=O)CC[C@H](C(=O)NCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 83877224 JRNFPAOSMPXYNS-GXTWGEPZSA-N 339.317 2.255 30 40 EEEB C=CCNc1nnc(S[C@H]2CCN(CC(F)(F)F)C2=O)s1 71910946 ABXLLKOSZCMFBT-ZETCQYMHSA-N 338.380 2.391 30 40 EEEB N#Cc1cc(C#N)c(SCC(=O)Nc2cccnc2Cl)nc1N 18240442 YNBLXVBTWONVGK-UHFFFAOYSA-N 344.787 2.186 30 40 EEEB N#Cc1cccc(NC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1 72285570 BSVIGVBENHUEBF-HNNXBMFYSA-N 344.440 2.130 30 40 EEEB O=S(=O)(/N=C(\O)C1=COCCC1)c1c(Cl)nc2ccccn12 71920427 YZDYGELNAWBRKA-UHFFFAOYSA-N 341.776 2.327 30 40 EEEB N#Cc1cccc(C(=O)NCC2CCN(C3CCOCC3)CC2)c1 225561828 RQOXCDSZXHAEPE-UHFFFAOYSA-N 327.428 2.179 30 40 EEEB CC(=O)NCCC(=O)[C@@H](C#N)C(=O)c1c[nH]c2cc(Cl)ccc12 101253463 KCEDQHUZVIWZGW-GFCCVEGCSA-N 331.759 2.239 30 40 EEEB COc1cc(C(=O)[C@H](C#N)C(=O)N2CCCC2)ccc1OC(C)C 103502732 NKSFWDIRNFLYJE-AWEZNQCLSA-N 330.384 2.427 30 40 EEEB CCSCC/C(O)=N/S(=O)(=O)c1ccc(CNC(C)=O)cc1 48492082 ONYPRCZNTBATLI-UHFFFAOYSA-N 344.458 2.111 30 40 EEEB N#CCCn1ncc2c(NCc3ccc4c(c3)OCCO4)ncnc21 65519821 QXIPDTJKCXHFMA-UHFFFAOYSA-N 336.355 2.123 30 40 EEEB C=CCn1c(SCC(=O)N[C@@H]2CCSC2=O)nc2ccccc21 173318744 REAKBEQYSGRVLJ-GFCCVEGCSA-N 347.465 2.463 30 40 EEEB N#Cc1cnn(CCN2CCN(Cc3cccc(Cl)c3)CC2)c1 70007821 ZIBVQPRTBNZUNB-UHFFFAOYSA-N 329.835 2.226 30 40 EEEB N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccco2)cc1 69350630 OZUULTZATFXJLZ-ZDUSSCGKSA-N 327.365 2.305 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OCCO2 8735013 IEWAUNRXATZTSB-ZDUSSCGKSA-N 338.363 2.413 30 40 EEEB C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O 8829474 VSDVMWBRICFVRW-BIGDWJEQSA-N 334.456 2.067 30 40 EEEB biogenic,in-vitro C=CC/N=C(\NCc1ccccn1)NC[C@@H](C)Cn1nc(C)cc1C 95350527 LQVZQZZUZCRAKQ-OAHLLOKOSA-N 340.475 2.452 30 40 EEEB CC(C)c1nc(S(=O)(=O)Nc2cc(N(C)C)ccc2C#N)c[nH]1 89891113 WABLGSIJWKDOJW-UHFFFAOYSA-N 333.417 2.272 30 40 EEEB Cc1cccc(S(=O)(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)c1C#N 570186106 JDWLRROGHCDSOZ-CABCVRRESA-N 332.425 2.056 30 40 EEEB CCO[C@H](C)c1nccn1CCS(=O)(=O)c1ccc(C#N)cc1 95438717 HMGJMFFYFBNGQQ-CYBMUJFWSA-N 333.413 2.326 30 40 EEEB CN1CCc2c(C#N)c(N3CCCC3)nc(NC[C@H]3CCCO3)c2C1 13815067 LHSWENZCBXDEPN-CQSZACIVSA-N 341.459 2.132 30 40 EEEB CSc1nc(NCCOCCO)c(C#N)c(-c2ccccc2)n1 7995288 UQEICURWWKPSQE-UHFFFAOYSA-N 330.413 2.158 30 40 EEEB N#Cc1cccc(N2CCN(c3ccc(-c4ccccn4)nn3)CC2)n1 1775973912 PJYVQZFICSSYEJ-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB Cc1nnc(N/N=C2/C(O)=Nc3ccc(Br)cc32)nc1O 8044850 HLFGUUAAIBSCQU-UHFFFAOYSA-N 349.148 2.066 30 40 EEEB CCNC(=S)N/N=C/c1ccc(I)cc1 6891537 SWAOBCDGSMSSMB-NTUHNPAUSA-N 333.198 2.109 30 40 EEEB COc1cc(OC)c(OC)cc1/C=C/C(O)=N/S(=O)(=O)C(C)C 58282009 YIJBRYQPXYYSCE-VOTSOKGWSA-N 343.401 2.420 30 40 EEEB COc1ccccc1CN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])ccc21 104107965 XQHACLHVYPJCHW-ICFOKQHNSA-N 327.296 2.329 30 40 EEEB CC(/C=N\Nc1ccc([N+](=O)[O-])cn1)=N/Nc1ccc([N+](=O)[O-])cn1 104395677 AGVUZXOYZYMXNX-NNMBRYNRSA-N 344.291 2.179 30 40 EEEB Cn1c(CCNC(=O)C#Cc2ccc3c(c2)OCO3)nc2ccccc21 95416930 CMMMSTGKRJUGLR-UHFFFAOYSA-N 347.374 2.012 30 40 EEEB N#Cc1ccccc1S(=O)(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 13349454 HKRVLJSJRZQSSV-CQSZACIVSA-N 348.355 2.192 30 40 EEEB Cc1csc([C@@H]2CN(CC(=O)Nc3sccc3C#N)CCO2)n1 65474247 NUVCCSOEYWVCCV-LBPRGKRZSA-N 348.453 2.397 30 40 EEEB C[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)n1cccn1 65476060 WWVJHHLMFFMXGQ-MRXNPFEDSA-N 337.427 2.050 30 40 EEEB COc1ccccc1/C=N/[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 4843827 JRMVBSAREKNUEF-QKFYHPGPSA-N 330.340 2.117 30 40 EEEB N#CC1(NC(=O)CN(CCCO)[C@@H]2CCc3ccccc32)CCCC1 71907419 KWZXYHFBCBRAPH-GOSISDBHSA-N 341.455 2.311 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(C(=O)OC)C1 69895936 LSBZOAJPCCKUBO-ZDUSSCGKSA-N 346.387 2.309 30 40 EEEB C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc23)CCS1(=O)=O 95943159 DFYPUAUZVBNWPQ-SNVBAGLBSA-N 335.816 2.383 30 40 EEEB C/N=C(\NCc1ccon1)NC[C@H]1CCCN1CCc1ccccc1 95974952 JMNHYXFXVFPSGP-GOSISDBHSA-N 341.459 2.047 30 40 EEEB N#Cc1cc(N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)ncn1 521394837 QNENWKYMTCWAPA-GFCCVEGCSA-N 347.300 2.090 30 40 EEEB N#C[C@@]1(C=O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218558775 JDXNECAAZMFQKI-IXDOHACOSA-N 329.352 2.474 30 40 EEEB CCN(CCC#N)C(=O)COc1ccc(Br)cc1C#N 131550088 SOIGONUCDJRQCW-UHFFFAOYSA-N 336.189 2.462 30 40 EEEB N#Cc1cc(C(=O)N2CCN(c3cncc4ccccc34)CC2)c[nH]1 194292572 YWQVEQMULAESSV-UHFFFAOYSA-N 331.379 2.397 30 40 EEEB Cc1cccc(S(=O)(=O)N2CCCc3cccc(CN)c32)c1C#N 599100984 GBCOABFZCBOKDO-UHFFFAOYSA-N 341.436 2.467 30 40 EEEB O=C1C[C@@H](/C(O)=N/S(=O)(=O)c2cccs2)CN1C1CCCC1 48427894 OZBBRPHDTYMUIH-SNVBAGLBSA-N 342.442 2.184 30 40 EEEB COC[C@H](C)S(=O)(=O)/N=C(\O)c1nc(-c2ccco2)sc1C 73839214 SHTPFECUWAGDME-QMMMGPOBSA-N 344.414 2.381 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)C4(F)CCC4)C3)C2)n1 1565549344 PVMJABJIWMRTKL-PBHICJAKSA-N 344.390 2.017 30 40 EEEB N#C[C@@H](NC(=O)c1ccc(F)c(Br)c1)[C@@H]1CCOC1 79921617 HUEJRMVAVBUTIT-BXKDBHETSA-N 327.153 2.247 30 40 EEEB CC(C)c1nc(CN2CCCN(C[C@@H](C#N)CCC#N)CC2)no1 106785602 OYVCWADCVFQUSC-OAHLLOKOSA-N 330.436 2.144 30 40 EEEB CNC(=O)c1ccc(/C=C/C(=O)N(CCC#N)Cc2cccnc2)cc1 63485022 XLSCAPUOCDOCQK-JXMROGBWSA-N 348.406 2.397 30 40 EEEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 6938371 SCLZIXIGAMFKOQ-ZDUSSCGKSA-N 343.408 2.183 30 40 EEEB CCCOc1cc(C)ccc1CN/C(=N/C)NCc1ccnn1C 97021916 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2.346 30 40 EEEB C/N=C1\S[C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)C(=O)N1C 105789624 YHPCNSRPOXPFKO-QSJBWMMGSA-N 341.820 2.237 30 40 EEEB C=CC[C@H](CO)CNC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC 108375333 LVHIGFMMSHARCH-HLLBOEOZSA-N 332.444 2.132 30 40 EEEB C=CCN(Cc1ccccc1F)C(=O)CSc1nnnn1C1CC1 58300065 DQSSSRGNQAXARC-UHFFFAOYSA-N 347.419 2.454 30 40 EEEB CCOC(=O)Cc1csc(N/N=C/c2ccc(C(=O)O)cc2)n1 4042683 FNEMHFUPPXEXNT-LZYBPNLTSA-N 333.369 2.393 30 40 EEEB CC[C@@H](CNC(=O)c1cccc(C#N)c1)NC(=O)c1cccc(C#N)c1 65609462 TVHWBOAYUCVLAC-SFHVURJKSA-N 346.390 2.368 30 40 EEEB Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N 71890136 IGHOQIQFDFPORA-LBPRGKRZSA-N 344.415 2.343 30 40 EEEB CCc1n[nH]c([C@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)n1 83830118 APSNHFLVLSGOIU-MRXNPFEDSA-N 341.415 2.081 30 40 EEEB C[C@@H]1CN(Cc2ccc(C#N)cc2F)CCN1Cc1nccn1C 69598181 LJVCYHIGXQYLAK-CQSZACIVSA-N 327.407 2.137 30 40 EEEB O=c1c2ccccc2nc(O)n1N=Cc1cc2c(cc1Cl)OCO2 409360711 PNZOJHLKNVSLTL-UHFFFAOYSA-N 343.726 2.366 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)C1CCCCC1 70636808 HMLOQLVHRWHRNO-HNNXBMFYSA-N 349.818 2.208 30 40 EEEB N#Cc1ccc(Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)cc1 40267367 OYRDOLDMYXZMJS-UHFFFAOYSA-N 349.325 2.092 30 40 EEEB Cc1nn(-c2ccccc2)cc1CCC/N=C(/N)N1CCSCC1 97212310 CLPCXDCFJJWUDY-UHFFFAOYSA-N 343.500 2.477 30 40 EEEB COc1cc(NC(=O)CO/N=C(\N)c2cccs2)cc(OC)c1 50512911 XRSRLLOQJHVLJN-UHFFFAOYSA-N 335.385 2.041 30 40 EEEB C=CCNC(=O)CN[C@@H](C)c1ccc(OC)c(Br)c1 96908338 QVLQVEBTGLCNAT-JTQLQIEISA-N 327.222 2.411 30 40 EEEB C=CCOc1ccc(S(=O)(=O)CC=C)cc1S(=O)(=O)CC=C 5377447 HSPPWFBGDAYKLA-UHFFFAOYSA-N 342.438 2.171 30 40 EEEB N#CCN1C(=O)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc21 1889007683 GXWGWXZASXGHLV-UHFFFAOYSA-N 345.355 2.480 30 40 EEEB C[C@@](C#N)(NC(=O)CSc1nccn1Cc1ccccn1)C1CC1 79037912 FVBOVKRBIVXCLY-KRWDZBQOSA-N 341.440 2.227 30 40 EEEB C=CCc1ccccc1OCC(=O)OCCNC(=O)c1ccncc1 2679835 NWTFDGOSKKHUNC-UHFFFAOYSA-N 340.379 2.162 30 40 EEEB Cn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1C(F)(F)F 3414161 CUHIDPQSIRMCTI-UHFFFAOYSA-N 341.318 2.436 30 40 EEEB C/N=C1\S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C(=O)N1C 4688393 BZGBLPFHHQXHSJ-VJEQILROSA-N 343.408 2.346 30 40 EEEB COc1ccc(N2CC(=O)C(c3ccccc3)=C2N)c([N+](=O)[O-])c1 5659743 ISODJMCILVEAQD-UHFFFAOYSA-N 325.324 2.320 30 40 EEEB CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(C)CC2)n1 7995276 YIHVLOMJEBFYPV-UHFFFAOYSA-N 325.441 2.489 30 40 EEEB C=CC/N=C(/NCC(=O)NC1CCCCC1)NCc1cccs1 71804104 QDEWZCGVIIZOHL-UHFFFAOYSA-N 334.489 2.418 30 40 EEEB N#CCOC(=O)CCC[S@](=O)c1ccc(Br)cc1 69974333 YWFNRKCXFXNFDL-GOSISDBHSA-N 330.203 2.404 30 40 EEEB N#Cc1nc(N)n(CCOc2ccccc2Br)c1C#N 95988632 SALBWMQLXVFCFP-UHFFFAOYSA-N 332.161 2.050 30 40 EEEB COC(=O)C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 95965322 DDHSBUFLHXMORY-GFCCVEGCSA-N 328.290 2.345 30 40 EEEB CC(C)OC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 96448407 YRYGDGOWOMJJNX-UHFFFAOYSA-N 336.457 2.221 30 40 EEEB CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccsc2)c1 69736916 UGAKJRPKTPPMDB-AWEZNQCLSA-N 349.437 2.041 30 40 EEEB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 104892450 KQTUTKFAVZBPGR-HIFRSBDPSA-N 329.400 2.160 30 40 EEEB CC(C)(C)NC(=O)CN1CCCN(Cc2cc(C#N)ccc2F)CC1 25436317 PJNPNAZEKSPWQH-UHFFFAOYSA-N 346.450 2.120 30 40 EEEB C[C@@H]1CN(/C=N\N=C/c2ccco2)CCN1/C=N/N=C\c1ccco1 104098878 FWRLLHIAUFXBGW-UWSGULFDSA-N 340.387 2.303 30 40 EEEB COc1cc(/C=N/n2c(S)nnc2-c2ccncc2)ccc1O 2336568 BJAHWIWBJFFGEK-RQZCQDPDSA-N 327.369 2.225 30 40 EEEB CN1C(=O)C[C@@H](COC(=O)c2cc(C#N)cn2C)[C@@H]1c1cccs1 95409373 SRCSFBXBTDSQRU-BLLLJJGKSA-N 343.408 2.335 30 40 EEEB 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([N+](=O)[O-])s1 100231774 KCZFLFYOLLDLKV-GGHJNLOOSA-N 343.364 2.043 30 40 EEEB COc1ccc(CN[C@@H](C)CN2CCCC2=O)cc1OCCCC#N 64614274 YCGKDMPLEWLNRQ-HNNXBMFYSA-N 345.443 2.478 30 40 EEEB COc1cc(/C=N\N=C(\N)S)ccc1OC(=O)c1ccccc1 4482930 MMHXUOAOLIOFFQ-ZDLGFXPLSA-N 329.381 2.493 30 40 EEEB CN(CC(=O)NCc1ccc(F)c(Cl)c1)c1ccc(C#N)cn1 69457727 DEBBJKXLUFLJLY-UHFFFAOYSA-N 332.766 2.498 30 40 EEEB CN(C)C(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1 97032625 AQLNAWGPCFPWAC-UHFFFAOYSA-N 330.432 2.168 30 40 EEEB C=C(C)CN1CCC(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CC1 84670804 IVBMFACXCKVMJD-MRXNPFEDSA-N 345.491 2.035 30 40 EEEB C=CCNC(=O)CN1CCN(CCCc2ccc(Cl)cc2)CC1 77247892 MPWZFEQPVSYHJN-UHFFFAOYSA-N 335.879 2.192 30 40 EEEB C=CCN(Cc1ccc2oc(C(=O)O)cc2c1)[C@@H]1CCS(=O)(=O)C1 573734717 ZOTHSJMMXGWYFZ-CQSZACIVSA-N 349.408 2.306 30 40 EEEB C#Cc1cccc(NC(=O)c2ccccc2C(=O)N2CCN(C)CC2)c1 96427110 OMNDCTIHLRBWPT-UHFFFAOYSA-N 347.418 2.308 30 40 EEEB COc1nccnc1N(C)CC1CCN(c2ncccc2C#N)CC1 1776009913 YWXFJADBAVPBGV-UHFFFAOYSA-N 338.415 2.105 30 40 EEEB C=CCNC(=S)N/N=C/c1cc2c(cc1Br)OCO2 5725801 PNVYDFWPGXGGAA-GIDUJCDVSA-N 342.218 2.162 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 104055829 TXPHNNMDLCPVCC-DOMZBBRYSA-N 334.335 2.068 30 40 EEEB CCc1noc(C)c1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 23797015 BVLBMVXNLPROOX-UHFFFAOYSA-N 338.411 2.375 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57289894 XCJVZSJQYQKWCC-GOSISDBHSA-N 332.423 2.002 30 40 EEEB N#Cc1ccc(N2CC[C@@H](OC(=O)c3n[nH]c4ccccc34)C2=O)cc1 28679099 VIKSCUOSHXYPBM-MRXNPFEDSA-N 346.346 2.397 30 40 EEEB CS[C@H]1C(C(=O)c2cccnc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716468 FSPNCHUHBULNRD-KRWDZBQOSA-N 348.424 2.223 30 40 EEEB C=CCn1nnc(NC(=O)c2cc(Cl)cc(Cl)c2OC)n1 10010748 IQTBRAILFLIWCO-UHFFFAOYSA-N 328.159 2.427 30 40 EEEB N#Cc1ccc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)nn1 96002414 BMMIYVMUMVUKNT-AWEZNQCLSA-N 335.346 2.173 30 40 EEEB COC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5009283 RPEBSDUWYONRDM-UHFFFAOYSA-N 348.362 2.066 30 40 EEEB C#CCNC(=O)c1ccccc1NCc1nccn1CC(F)(F)F 95402828 KSHUDWBVVUUMCG-UHFFFAOYSA-N 336.317 2.421 30 40 EEEB C=CCSCC(=O)N(CCCN1CCOCC1)Cc1ccncc1 65496197 JSXQIKAAHBZILN-UHFFFAOYSA-N 349.500 2.052 30 40 EEEB Cc1cc(C)n(C[C@H]2CN(CCOc3ccccc3C#N)CCO2)n1 69349912 IWEZQCLSMZVLCF-GOSISDBHSA-N 340.427 2.151 30 40 EEEB C[C@@]1(c2ccccn2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 69630146 MAJGKFBLTFRTEJ-IBGZPJMESA-N 345.362 2.173 30 40 EEEB COC(=O)[C@@H](CNc1nnc(C)c(C)c1C#N)Cc1ccc(O)cc1 69811234 QOLKZMJBAGCEHM-CQSZACIVSA-N 340.383 2.115 30 40 EEEB N#CCOc1ccccc1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 409147638 YFXOMVADKZGGFB-KEIGEKKPSA-N 335.363 2.120 30 40 EEEB COc1ccc(CN2CC[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)cn1 1889109277 CLDXSLZRBLEGIQ-SJORKVTESA-N 335.411 2.068 30 40 EEEB C=CCN1C(=O)/C(=C/c2cc(C)n(CCOC)c2C)C(O)=NC1=S 2233353 UGKHROOPTYBWEM-GXDHUFHOSA-N 347.440 2.404 30 40 EEEB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O 2622650 CBYMIVUIECBLIP-GOSISDBHSA-N 342.399 2.243 30 40 EEEB CCOc1cccc(/C=N\N2CCN(c3ccccn3)CC2)c1O 4855052 XHTITEXGXBUVDF-ZHZULCJRSA-N 326.400 2.342 30 40 EEEB N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 11229949 ATXCURLSWOTEGZ-UHFFFAOYSA-N 335.363 2.468 30 40 EEEB N#Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 2622771 XYCBMCYGXWSCQJ-UHFFFAOYSA-N 345.742 2.167 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(CC(=O)O)cs1 13405391 DDYSFYQZKAOQQO-VIFPVBQESA-N 331.353 2.048 30 40 EEEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)cc1 4716169 FKKXTMXLKGDDSG-HNNXBMFYSA-N 326.356 2.305 30 40 EEEB COc1ccc([C@H](CN2CCOCC2)Nc2ncccc2C#N)cc1 71841040 HOXGCGGTTKKQOY-SFHVURJKSA-N 338.411 2.447 30 40 EEEB C[C@H](NC(=O)Nc1cccc(C#N)c1)c1nnnn1-c1ccccc1 71909175 KZENUKXUFJOBHI-LBPRGKRZSA-N 333.355 2.417 30 40 EEEB COc1cc(OC)cc(N2CC[C@H](CN=C(N(C)C)N(C)C)C2)c1 89121040 YPMYXSLLPZUQRH-CQSZACIVSA-N 334.464 2.009 30 40 EEEB C/N=C(/NCc1ccn(C2CCCC2)n1)NCc1nc(C2CC2)no1 97378378 SQSIWDCRXKJIHN-UHFFFAOYSA-N 343.435 2.124 30 40 EEEB CCOC(=O)c1cnn(Cc2ncc(Br)s2)c1C#N 390835035 BDHBTVBCOUNQPC-UHFFFAOYSA-N 341.190 2.199 30 40 EEEB CCOC(=O)/C(=N/NC1=C(C)[C@H](C)[C@@H](c2ccccc2)C1=O)C(C)=O 1554503327 CQJZNFDEYNYICN-ZEXKBQBBSA-N 342.395 2.361 30 40 EEEB Cc1ccc2c(c1)C(=O)NC1=C(c3nc4ccccc4[nH]3)C(=O)CN12 3171646 XJZHUUAUQVCBQI-UHFFFAOYSA-N 330.347 2.373 30 40 EEEB C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(C#N)cc1 26127139 WAQIISDQRLUUQD-NSHDSACASA-N 335.363 2.257 30 40 EEEB 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LPYGBFQSVJKELK-IBGZPJMESA-N 342.439 2.408 30 40 EEEB COCCCCNS(=O)(=O)c1ccc(C#N)cc1N1CC=CCC1 1615050906 NGEWXQBZPULHSZ-UHFFFAOYSA-N 349.456 2.029 30 40 EEEB COc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc(CC#N)c1 619463110 FEUVLIBMRQALHD-UHFFFAOYSA-N 346.364 2.260 30 40 EEEB Cc1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 45676843 XPIBCURYZGTSQE-UHFFFAOYSA-N 341.440 2.355 30 40 EEEB C=CCNC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714028 TYDLLVPZGJMREP-CYBMUJFWSA-N 330.837 2.187 30 40 EEEB COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@H]3N(C(C)=O)CC2 225571 QHDTTYCECGBECX-OAHLLOKOSA-N 339.391 2.486 30 40 EEEB biogenic N#Cc1cccc(CN2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1 1888914119 JZIUXJCCBRPODW-ROUUACIJSA-N 331.375 2.180 30 40 EEEB O=C1C[C@H](C(=O)Nc2ccccc2)SC(N/N=C/c2ccco2)=N1 507199 PVQSWVJASJUFDE-VGSSETLESA-N 342.380 2.230 30 40 EEEB CC(C)[C@H](C#N)N1CCN(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106796300 XPTYOSRZUXATPG-BCYZHJNNSA-N 346.519 2.093 30 40 EEEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1c(C)nn(CCO)c1C 57991297 SSOIMLLYDIABGF-KRWDZBQOSA-N 326.400 2.245 30 40 EEEB O=C(CNC(=O)c1ccco1)Nc1cccc(C#Cc2ccccn2)c1 12521790 NBHSMAHCUALEGA-UHFFFAOYSA-N 345.358 2.443 30 40 EEEB C/N=C(/NCCc1nc(C)no1)NCC1(Sc2ccccc2)CC1 95963022 LYYKNBSQGJITNA-UHFFFAOYSA-N 345.472 2.410 30 40 EEEB COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](Cc2cnn(C)c2)C1 83216946 GZICZUJDAHHEKD-QAPCUYQASA-N 338.411 2.070 30 40 EEEB Cc1ccc(-n2c(S[C@@H](C)C#N)nnc2N2CCOCC2)cc1 9322810 WBLIEJUUBRTYQM-ZDUSSCGKSA-N 329.429 2.417 30 40 EEEB N#C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C1CCCCC1 96451398 DQFBWMAEZINKSB-LBPRGKRZSA-N 338.205 2.340 30 40 EEEB C[C@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](C)CO1 69740778 OPNCEUDXDAQRNO-CVEARBPZSA-N 343.427 2.349 30 40 EEEB CN(CCC#N)C(=O)c1cc(Br)c2c(c1)OCCO2 69842056 VWQKWJSLNYGJPU-UHFFFAOYSA-N 325.162 2.206 30 40 EEEB C[C@@]1(CCc2ccc(Oc3ncccc3C#N)cc2)NC(=O)NC1=O 8747254 GVAOWQMBBZMGQI-SFHVURJKSA-N 336.351 2.276 30 40 EEEB COc1c([C@H]2CCCN2C(=O)c2ccc(C#N)c(C)n2)c(C)nn1C 72234365 AXRSLYHUYUESHF-OAHLLOKOSA-N 339.399 2.290 30 40 EEEB C#CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 72268225 SWCUXJVZCACLIJ-BBRMVZONSA-N 331.372 2.480 30 40 EEEB Cc1cc(OCC(=O)Nc2cccc(C#N)c2)nc(N2CCCC2)n1 44168284 ZTMIYVHWIVFQKV-UHFFFAOYSA-N 337.383 2.274 30 40 EEEB C#Cc1cccc(N(CC)C(=O)c2cc(S(=O)(=O)NC)oc2C)c1 96459221 PGMSVPQCUNAQBX-UHFFFAOYSA-N 346.408 2.144 30 40 EEEB C#CCOc1ccc(N(C)C(=O)Cn2ncc(=O)c3ccccc32)cc1 69662809 JKJMOLLIVHDKRU-UHFFFAOYSA-N 347.374 2.072 30 40 EEEB CC1=NN(C(N)=S)C(=O)/C1=N\Nc1c(Cl)cccc1Cl 16925831 HVIZLOVRDVDSEP-NVNXTCNLSA-N 330.200 2.223 30 40 EEEB O=C1CN(C/C(O)=N/c2nnc(C3CC3)s2)CCN1C1CCCC1 19658728 COWVRRQFUKBVHA-UHFFFAOYSA-N 349.460 2.090 30 40 EEEB Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(C#N)cc1 5172870 DNRVECOTDLRJLQ-UHFFFAOYSA-N 337.379 2.309 30 40 EEEB CCN(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1[N+](=O)[O-] 47611416 VHGJVKRCADKUPG-QGZVFWFLSA-N 332.404 2.471 30 40 EEEB N#Cc1ccc(OCCCN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 48341748 HNIHVTTVONYYEW-UHFFFAOYSA-N 341.367 2.061 30 40 EEEB CCCCNC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238224 CITNQEGBPWGAPM-UHFFFAOYSA-N 342.424 2.317 30 40 EEEB Cn1ncc(C(=O)NCC2CCN(CC#N)CC2)c1-c1ccccc1 96492270 HMMFZTMHPIIPEA-UHFFFAOYSA-N 337.427 2.052 30 40 EEEB Cc1nnc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(C#N)c1C 84057849 GPWGAYQTTLADPI-RBUKOAKNSA-N 349.438 2.055 30 40 EEEB Cc1ccc(S(=O)(=O)CCCn2ccc(C)c(C#N)c2=O)cc1 97114975 USPKUPSZCLRCRV-UHFFFAOYSA-N 330.409 2.201 30 40 EEEB N#CC1(NC(=O)COc2ccccc2Br)CCOCC1 95978785 CSTPSBAPGUJQNW-UHFFFAOYSA-N 339.189 2.017 30 40 EEEB CCN(CC)CC#C[C@H](C)OC(=O)c1cn(C)nc1C(F)(F)F 89967899 IIOVADRXZYELTR-NSHDSACASA-N 331.338 2.329 30 40 EEEB C=CC/N=C(\NC[C@@H]1CCN(CCOC)C1)N[C@@H](C)c1ccccc1 75583132 IGCZZKBJBISPNJ-ROUUACIJSA-N 344.503 2.437 30 40 EEEB COc1cc(/C=N\NC(=S)Nc2cccnc2)cc(OC)c1OC 33247178 LASDRZGAEHBNKK-NVMNQCDNSA-N 346.412 2.428 30 40 EEEB N#Cc1ccc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c(O)c1 521398327 OHYUMULENUVCCW-UHFFFAOYSA-N 342.420 2.161 30 40 EEEB C=CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1OC)C2 96039740 FPECYLSVAOETKQ-VQIMIIECSA-N 346.427 2.304 30 40 EEEB Cc1cc(=O)c(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c[nH]1 585127524 CFFWDBLORFSGGJ-UHFFFAOYSA-N 334.191 2.246 30 40 EEEB NC(=O)c1ccccc1OCC#CCNC(=O)c1cc2ccccc2o1 85558820 NPGPRUZRDHVURI-UHFFFAOYSA-N 348.358 2.344 30 40 EEEB CC(C)(C)OC(=O)CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 675082851 ZNHLJLXHXDVZST-UHFFFAOYSA-N 334.225 2.134 30 40 EEEB CC(C)Sc1ccc(CC(=O)NCC#CCN2CCOCC2)cc1 75164875 BAPNBHUDOVJGON-UHFFFAOYSA-N 346.496 2.181 30 40 EEEB N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccco2)CC1 40513553 BZAFMJGQDZTCCF-UHFFFAOYSA-N 328.347 2.322 30 40 EEEB C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn3c(C)cccc3n2)c1 58192294 FSEPWMKRVORYGA-UHFFFAOYSA-N 346.390 2.335 30 40 EEEB C=CCNC(=O)[C@@H](C)OC(=O)c1cc2ccc(OC)cc2nc1C 10726590 ISFWVFBHQOQKDT-GFCCVEGCSA-N 328.368 2.399 30 40 EEEB C[C@@H]1OCCN(C(=O)NC2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1C 95424454 IHCNDCWFHPCXNN-CABCVRRESA-N 342.443 2.346 30 40 EEEB C=CCN(Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 66559584 ZBOBVVHHGPCSJX-ZDUSSCGKSA-N 331.384 2.463 30 40 EEEB N#Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3CC2CCOCC2)cc1 96184476 XKXDFPPDFLJARQ-RBUKOAKNSA-N 339.439 2.274 30 40 EEEB COc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C#N)cc1OC 594836219 ZZZSECANTBXNAL-CMPLNLGQSA-N 342.392 2.204 30 40 EEEB Cc1noc(C)c1C/C(O)=N/S(=O)(=O)Cc1ccc(C#N)cc1 48508377 RZRCUSSRFRXKGE-UHFFFAOYSA-N 333.369 2.192 30 40 EEEB COCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 108093370 FXMPEKJYRJFCHK-ZBFHGGJFSA-N 330.432 2.019 30 40 EEEB COc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccccc2)cc1 4369359 XWWWVPVXSKEYFC-GHRIWEEISA-N 349.394 2.456 30 40 EEEB C=CCN1CCO[C@@H]2CN(C(=O)c3ccc(OC)cc3C)CC[C@H]2C1 1565551845 WHWUPFSTBVHARL-QFBILLFUSA-N 344.455 2.353 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2cccc(N3CCOC3=O)c2)c1 31720034 AIRNSQXMYLRVRD-UHFFFAOYSA-N 343.364 2.316 30 40 EEEB CCOC(=O)N1CCC[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 25105780 WQBZPRHGMUTFTK-MRXNPFEDSA-N 329.400 2.385 30 40 EEEB Cc1ccc(Cn2c(=N)c(C#N)cc3c(=O)n4ccccc4nc32)cc1 100631364 BYIINSKSTYFCHI-UHFFFAOYSA-N 341.374 2.357 30 40 EEEB Cc1nc(C2=C(N)N(c3ccc4c(c3)OCO4)CC2=O)sc1C 13690405 QDOKLPWIMLSKIB-UHFFFAOYSA-N 329.381 2.205 30 40 EEEB Cc1ccc(C)c(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)c1 5092639 BAXKWRKJJUBXDM-UHFFFAOYSA-N 346.390 2.257 30 40 EEEB Cc1ccc(C(=O)C2CCN(CC(=O)NCCC#N)CC2)c(C)c1 26643735 VABMWXLZKSIQGF-UHFFFAOYSA-N 327.428 2.228 30 40 EEEB Cc1ccc(S(=O)(=O)NCc2cccc(C#N)c2)cc1N(C)C 96472513 LTAMBPMDBODQJH-UHFFFAOYSA-N 329.425 2.411 30 40 EEEB CCOCCOCc1cccc(C/N=C(/N)NCc2ccco2)c1 72280343 PAMDUYHZLWUCGB-UHFFFAOYSA-N 331.416 2.437 30 40 EEEB COC[C@@](C)(C#N)NC(=O)c1cnn(-c2ccccc2Cl)c1C 84045012 FBPUGOPYAQSCAX-MRXNPFEDSA-N 332.791 2.493 30 40 EEEB CN1C(=O)C[C@@H](COC(=O)c2cc(C#N)cn2C)[C@H]1c1cccs1 95409371 SRCSFBXBTDSQRU-LRDDRELGSA-N 343.408 2.335 30 40 EEEB CC(=O)OCC[C@H]1S/C(=N\N=C\c2c[nH]c3ccccc23)NC1=O 9914648 NDQSWYWXRVJYRY-UHPUNMKFSA-N 344.396 2.043 30 40 EEEB CN(C)C(=O)C1(CNC(=O)NCc2cc(C#N)ccc2F)CCCC1 76086146 RWLFKHGOTRWOSV-UHFFFAOYSA-N 346.406 2.145 30 40 EEEB C=CCN1C(=O)C(=O)N(CC#Cc2ccc(C(F)(F)F)cc2)C1=O 85249406 BENWTRQNGOBKQL-UHFFFAOYSA-N 336.269 2.034 30 40 EEEB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 96120101 UFXSFBCTWZOZKU-MRXNPFEDSA-N 348.468 2.305 30 40 EEEB CCN(C[C@@H]1CN(Cc2ccccc2C#N)CCO1)c1cccnn1 84774654 RTQUZPKRAOWYKY-SFHVURJKSA-N 337.427 2.076 30 40 EEEB CCO[C@H]1C[C@H](O)C12CCN(c1nc3ncccc3cc1C#N)CC2 596143676 GIZQVQPTKNPTRT-HOTGVXAUSA-N 338.411 2.258 30 40 EEEB CN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccccc1C#N 24987027 IXZXUDWQKFDUSB-UHFFFAOYSA-N 325.393 2.392 30 40 EEEB C=CCN1CCN(C(=O)CCc2cncnc2)Cc2ccc(C)nc21 1565542685 IXDDSUHUUQKCEB-UHFFFAOYSA-N 337.427 2.147 30 40 EEEB COc1ccc(C(=O)/C=C2/NC[C@@H]3c4ccccc4CCN3C2=O)cc1 36252 WXPMAIFQEOWVML-TVNWYLLRSA-N 348.402 2.491 30 40 EEEB CCCN(C)C[C@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 76062483 AWTWRYAEVRHYLQ-QGZVFWFLSA-N 335.473 2.052 30 40 EEEB C=CCN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 57237656 RBJVBSAIISLMGC-CQSZACIVSA-N 330.409 2.050 30 40 EEEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 12552531 CACILCZUQRLKLU-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB C[C@H](Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1)C(=O)O 59250197 IZWBNJIHJMSNQX-JVDJPWEPSA-N 330.300 2.288 30 40 EEEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccco1 104237409 MCQJYNGYJZACOC-DPEHCCBOSA-N 344.367 2.246 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(CC(=O)O)cs1 13405387 DDYSFYQZKAOQQO-SECBINFHSA-N 331.353 2.048 30 40 EEEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 5342412 LBDWQOGLKVUGDZ-UBQVSUSGSA-N 338.454 2.088 30 40 EEEB Cc1nn(-c2cc(Nc3c(F)cccc3F)ncn2)c(N)c1C#N 8715301 OJQXOYDETCDRLE-UHFFFAOYSA-N 327.298 2.446 30 40 EEEB C/N=C(\NCc1noc(C)n1)NC[C@H](C)Oc1ccc(Cl)cc1 88926697 PPPRFKVLFAMBGR-JTQLQIEISA-N 337.811 2.164 30 40 EEEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccccc1 408529021 ZLRSWOTZMJFVLH-NZBPQXDJSA-N 325.368 2.272 30 40 EEEB C#Cc1cccc(N(C)S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 194627934 OTAYGFXZPOAAKY-UHFFFAOYSA-N 342.420 2.195 30 40 EEEB COC(=O)C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(F)cc1F 195533843 VPZDANOAADUPPR-ZDUSSCGKSA-N 333.294 2.199 30 40 EEEB C=C(Br)CNC(=O)N1CCOC[C@@H]1c1nc(C)cs1 190096996 OYTNMPVPIDKZIT-SNVBAGLBSA-N 346.250 2.443 30 40 EEEB N#C[C@@H](CO)NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 585110591 ZZFKMNAXSWXREQ-NSHDSACASA-N 328.290 2.008 30 40 EEEB Cc1cc(N2CCC[C@H](OC(=O)c3cc(C#N)cn3C)C2)nc(C)n1 83769120 DIBGMDSHBRWRAA-HNNXBMFYSA-N 339.399 2.129 30 40 EEEB Cc1ccc(C(N)=O)c(OCC(=O)NC2(C#N)CCCCCC2)c1 32907133 HHCAYMFMIIYXBD-UHFFFAOYSA-N 329.400 2.206 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2ccc(C)cc2)c(=O)c1C#N 583002 HBTQVLVMYXMBMW-UHFFFAOYSA-N 325.368 2.122 30 40 EEEB COc1ccc2oc(=O)c(C(=O)C[n+]3ccc(N(C)C)cc3)cc2c1 2480134 NXCAVZDILHVTAW-UHFFFAOYSA-N 339.371 2.038 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1C[C@H]1CCOC1 58277632 NXOXPWCSDDCSIZ-UONOGXRCSA-N 340.383 2.197 30 40 EEEB CCOc1ccccc1OC1CCN(CC(=O)N(C)CCC#N)CC1 58340973 XBGCZHGUPYVTBN-UHFFFAOYSA-N 345.443 2.301 30 40 EEEB CCOC(=O)c1ccc(/N=C\c2ccc(OCC(N)=O)cc2)cc1 100216255 GNNJFQRGCSYWPR-JAIQZWGSSA-N 326.352 2.478 30 40 EEEB C[C@H](CNc1oc(-c2cccc(F)c2)nc1C#N)N1CCOCC1 96346193 WJAMKUCSTSGICM-GFCCVEGCSA-N 330.363 2.485 30 40 EEEB N#CC1(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)CCOCC1 96406422 UAYBDRPMNHIJQD-KRWDZBQOSA-N 327.428 2.088 30 40 EEEB CC(C)CN(CC(=O)N(C)CCC#N)C[C@@H](O)c1ccc(F)cc1 70036606 ACMQIUFSIRERPX-QGZVFWFLSA-N 335.423 2.189 30 40 EEEB CCc1noc(C)c1/C(O)=N/S(=O)(=O)N1CCc2ccccc2C1 78556607 DBHLZGLROHOLNG-UHFFFAOYSA-N 349.412 2.153 30 40 EEEB COc1ccccc1C(=O)O/N=C(\N)Cc1ccc(NC(C)=O)cc1 226102700 OKGYROMOAPZQLU-UHFFFAOYSA-N 341.367 2.325 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1OCCc2ccccc21 72230270 MNFVRDUYUAYVNU-OALUTQOASA-N 326.440 2.247 30 40 EEEB C=CCN1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)OCC1=O 2055713504 XVSMUYFQQPFRSR-UHFFFAOYSA-N 336.382 2.344 30 40 EEEB C[C@H](C(=O)N1CCCC1)N1CCCN(c2ccc(C#N)cc2)CC1 52799672 CFQCSWGDTKYTCP-MRXNPFEDSA-N 326.444 2.081 30 40 EEEB C/C(=N/NS(=O)(=O)c1ccc(C)cc1)C12C3[C@@H]4C5CC([C@@H]41)[C@H]2[C@@H]53 102318541 ZQQVKCRFFOXSQC-FPVISXTQSA-N 328.437 2.407 30 40 EEEB COc1ccc(CC(=O)O/N=C(\N)c2ccc(OC)c(OC)c2)cc1 12655432 FHHOHIAKYLGKLG-UHFFFAOYSA-N 344.367 2.119 30 40 EEEB C/N=C(/NCc1nc(C)no1)N(C)CCOc1ccc(Cl)cc1 73783705 MIFITEVQUIEDKS-UHFFFAOYSA-N 337.811 2.118 30 40 EEEB CCN(CC)c1ccc(/C=N/Nc2nnn[nH]2)cc1Br 4046601 XRJKPUQEJNYDLK-RIYZIHGNSA-N 338.213 2.254 30 40 EEEB COc1ccc(C2=CCN(C(=O)CN(C)C[C@@H](C)C#N)CC2)cc1 65519358 QLFOCGGUCUAWQA-HNNXBMFYSA-N 327.428 2.402 30 40 EEEB C[C@H]1Oc2c(cccc2C(=O)[C@@H](C#N)c2ccc(F)cn2)NC1=O 80436319 FBNBTRYCMNSSQR-SKDRFNHKSA-N 325.299 2.430 30 40 EEEB Cc1noc([C@@H](C)N2CCN(CCOc3ccc(C#N)cc3)CC2)n1 69652654 LQDSUNCPCZEPQF-CQSZACIVSA-N 341.415 2.007 30 40 EEEB COc1cc(Br)cc(/C=N/n2cnnc2SC)c1O 408820128 VJTOKCLKWFLPGH-LHHJGKSTSA-N 343.206 2.359 30 40 EEEB CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCO[C@H]1c1nccn1C 596743470 HZRNLFNIOXZWIW-IAGOWNOFSA-N 338.411 2.418 30 40 EEEB N#CC1(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)CCCC1 75148061 ZSKVAIPXVWFLLP-UHFFFAOYSA-N 349.438 2.489 30 40 EEEB N#Cc1cccc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)n1 1775976601 CEGKICWKMHVTOT-UHFFFAOYSA-N 332.367 2.330 30 40 EEEB CCCCN/C(O)=N/S(=O)(=O)c1ccccc1Br 40116188 XQDQYVZJPCCFNM-UHFFFAOYSA-N 335.223 2.442 30 40 EEEB COc1cccc(S(=O)(=O)/N=C(\O)CCc2cscn2)c1 78701606 VMTVLSYHAKLKMQ-UHFFFAOYSA-N 326.399 2.430 30 40 EEEB C[C@@H]1CN(CCC2CCN(c3nccnc3C#N)CC2)C[C@@H](C)O1 79021933 NYJBLBVGVSHMQH-HUUCEWRRSA-N 329.448 2.064 30 40 EEEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1 8254602 DTTJJVZOCATUDS-RLFYNMQTSA-N 342.512 2.383 30 40 EEEB biogenic,in-vitro COC(=O)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 44866530 CFWUHVKDDIKOBO-CYBMUJFWSA-N 338.363 2.429 30 40 EEEB C#CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nnn2CC 58312924 UCIOFDDXHSQCOV-UHFFFAOYSA-N 347.378 2.067 30 40 EEEB C[C@H]1CN(C(=O)C2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 45803051 JEALSZXGQNKGHW-IYBDPMFKSA-N 341.455 2.406 30 40 EEEB O=C1C=C[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]1N2c1ccccc1 102664441 KCUXRZNMROURKA-NQYYFHDYSA-N 344.370 2.189 30 40 EEEB CN1CCc2nc(SCC(N)=O)c(C#N)c(-c3ccccc3)c2C1 19889353 KZGHKCXVPTVJLA-UHFFFAOYSA-N 338.436 2.186 30 40 EEEB N#CCSCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 68532106 JLOGYCQNPXTBHV-ZDUSSCGKSA-N 332.404 2.039 30 40 EEEB O=C(C1CCCC1)N1CCC[C@@H]1/C(O)=N/S(=O)(=O)C1CCCC1 86054649 NUOAIXNFDUPEAI-CQSZACIVSA-N 342.461 2.397 30 40 EEEB COc1cc(C#N)ccc1OC(=O)CCNC(=O)c1ccsc1 25014276 LDWQPMYRVZUBOP-UHFFFAOYSA-N 330.365 2.354 30 40 EEEB COc1ccc(C2CC(=O)C(=C3NCCS3)C(=O)C2)c(OC)c1 20800936 VXMLHTFLKOHEEK-UHFFFAOYSA-N 333.409 2.267 30 40 EEEB CC(=O)N1CCc2cc(/C(O)=N/S(=O)(=O)CC(C)(C)C)ccc21 79037062 UCJOIOAOXKZRQA-UHFFFAOYSA-N 338.429 2.276 30 40 EEEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC(C)C 217518403 XOQJSGYLKVOHOT-UHFFFAOYSA-N 326.418 2.307 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)n1 96047669 PYNPSNMPNJYAJW-YOEHRIQHSA-N 341.440 2.255 30 40 EEEB COCc1cc(C)n(Cc2nc(-c3ccccc3)no2)c(=O)c1C#N 96234396 YNUOEUCKQHHZBQ-UHFFFAOYSA-N 336.351 2.273 30 40 EEEB Cc1nc(C#N)n(Cc2ccc(S(=O)(=O)C(F)F)cc2)c1C 585118365 LVGSVMVOQINTBZ-UHFFFAOYSA-N 325.340 2.416 30 40 EEEB N#C[C@@H]1CN(C(=O)c2cccc3c2OCO3)CCN1Cc1ccccc1 74673026 NQZXFFHFHJIPIL-MRXNPFEDSA-N 349.390 2.265 30 40 EEEB N#Cc1cc(Cl)cc(-c2cc3c(c(S(N)(=O)=O)c2)OCC3)c1 1615545713 IHUOIBUTCOYBQC-UHFFFAOYSA-N 334.784 2.461 30 40 EEEB CC/N=C1\S/C(=C2\C(=O)N(C(C)=O)c3ccccc32)C(=O)N1CC 12732520 ROINWVKWMJGHFN-ZHBRIHKXSA-N 343.408 2.262 30 40 EEEB C=CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)C(=O)NC1=S 13546650 KMNSTRMEICBSPJ-UVTDQMKNSA-N 339.420 2.474 30 40 EEEB COC(=O)[C@H]1C(=O)/C(=C\Nc2ccc([N+](=O)[O-])cc2)C(=O)CC1(C)C 100737536 TWUFVOIVSIRBNQ-FWLQQBITSA-N 346.339 2.248 30 40 EEEB Cc1ccc(S(=O)(=O)NCC/N=C/c2cccc([N+](=O)[O-])c2)cc1 1794235 ABAUFFYEGFTMOO-SFQUDFHCSA-N 347.396 2.301 30 40 EEEB COc1cc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc(OC)c1OC 46169774 NRLCIJRQWWPMRH-KRWDZBQOSA-N 335.404 2.179 30 40 EEEB N#Cc1cc(S(=O)(=O)N2CCC(=O)Nc3ccccc32)ccc1F 71914044 ZXTCYOXUCQOYOR-UHFFFAOYSA-N 345.355 2.235 30 40 EEEB C[C@@H](Nc1ncnc2c1cnn2CCC#N)c1ccc2[nH]c(=O)[nH]c2c1 97199790 PZYXKDIEJFKKJW-SNVBAGLBSA-N 348.370 2.083 30 40 EEEB CCN1CCC(N(C)C(=O)CCC(=O)Nc2cccc(C#N)c2)CC1 72306843 WTNYCTUOOFYRQI-UHFFFAOYSA-N 342.443 2.220 30 40 EEEB O=C1Oc2ccccc2C(=O)/C1=C\NCCn1cnc2ccccc21 1547200897 NQHSPSKXDNPLLL-SDNWHVSQSA-N 333.347 2.312 30 40 EEEB Cn1cc(N2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2=O)cn1 97096958 KKXYYXATFNAKQF-UHFFFAOYSA-N 349.316 2.164 30 40 EEEB O=C[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242547851 KWPBYEPKJUBWFD-COXVUDFISA-N 330.361 2.170 30 40 EEEB O=S1(=O)C[C@H](/N=C/c2ccccc2)[C@@H](/N=C/c2ccccc2)C1 5899348 BHNGETIZDQQTPY-OTXVQYHJSA-N 326.421 2.390 30 40 EEEB CCOC(=O)/C(=C/Nc1ccccc1C(=O)OC)C(=O)C(F)(F)F 100205860 PLAQKTYFVKYFKJ-CSKARUKUSA-N 345.273 2.464 30 40 EEEB N#Cc1ccc(N2CCO[C@H](C(=O)N3CCC(F)(F)CC3)C2)cc1 2086939622 LEACVVLSDJCYBS-HNNXBMFYSA-N 335.354 2.021 30 40 EEEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccn(-c2ccccc2)n1 103717474 WLTOXFQLBUUGJS-CQSZACIVSA-N 331.335 2.228 30 40 EEEB N#CCN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 78098376 HPHANTPCJNYHBU-LJQANCHMSA-N 335.407 2.444 30 40 EEEB COC(=O)CC(C)(C)/C(C)=N\NS(=O)(=O)c1ccc(C)cc1 4951037 CYCLBIGUAFAYPH-VBKFSLOCSA-N 326.418 2.239 30 40 EEEB CN/C(=N\C[C@@H](c1cccc(OC)c1)N(C)C)NCc1ccco1 103337611 SPANGSLNQJRKMS-KRWDZBQOSA-N 330.432 2.256 30 40 EEEB C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O 4488326 ZCNMVPRVNFNONM-LBPRGKRZSA-N 348.380 2.052 30 40 EEEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc2[nH]c3ccccc3n12 6506409 BOCAQYHBALMJPR-INIZCTEOSA-N 342.428 2.357 30 40 EEEB C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN1C(=O)OC 66353304 FZAVQOWOAJPZQF-OAHLLOKOSA-N 347.371 2.340 30 40 EEEB N#Cc1ccc(N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)nc1 71821779 LRBNZVOOZNIUHA-KRWDZBQOSA-N 342.830 2.462 30 40 EEEB CCN(CCCN/C(=N/C(C)C)c1cccs1)S(C)(=O)=O 71843659 INSJPIJDLZHHJU-UHFFFAOYSA-N 331.507 2.164 30 40 EEEB COc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1 18240447 XRXNZQSIYLFDNZ-UHFFFAOYSA-N 339.380 2.147 30 40 EEEB CN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(C#N)cc1 8937468 OJAOPUNMGKJTKV-UHFFFAOYSA-N 338.363 2.367 30 40 EEEB COc1ccccc1/C(N)=N/OCc1nnc(-c2ccccc2)n1C 95445283 CYALDUYNVOQMQP-UHFFFAOYSA-N 337.383 2.328 30 40 EEEB COC[C@@H](C)S(=O)(=O)/N=C(\O)c1csc(-c2ccoc2)n1 73838777 RYDTUUVDZQOLQP-MRVPVSSYSA-N 330.387 2.072 30 40 EEEB O=[N+]([O-])c1ccc(-c2ccc(/C=N/n3cnnc3)o2)c([N+](=O)[O-])c1 408910467 KLPWMRLRCNQXQB-OMCISZLKSA-N 328.244 2.237 30 40 EEEB N#Cc1cc(F)c(NC2CCN(C(=O)c3cnccn3)CC2)c(F)c1 96456225 PCQIFWRAOSHQBP-UHFFFAOYSA-N 343.337 2.343 30 40 EEEB N#Cc1ccsc1C(=O)N1CCCN(Cc2cscn2)CC1 69620364 TYEUMRVFDPWVMO-UHFFFAOYSA-N 332.454 2.424 30 40 EEEB O=C1/C(=C\c2cnc(N3CCOCC3)nc2)Cc2ccc(F)cc21 79014641 WOWKQFBEUKTEIP-AUWJEWJLSA-N 325.343 2.275 30 40 EEEB C=CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 2949077 FANKQBPBFJCBLJ-LCYFTJDESA-N 340.335 2.081 30 40 EEEB CCn1nc(C)c(CN/C(=N/C)NCCOc2ccccc2)c1C 95350562 VIWSEQSMKYFRPE-UHFFFAOYSA-N 329.448 2.264 30 40 EEEB Nn1cnnc1N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 4492110 ADKOVYRJJLDMFK-UBKPWBPPSA-N 346.734 2.050 30 40 EEEB N#Cc1ccc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c(F)c1 69329635 WUFGZVYZHABUIX-UHFFFAOYSA-N 349.369 2.307 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccccc2C1 72274749 OLKQMDGXDUHYDQ-KRWDZBQOSA-N 349.434 2.470 30 40 EEEB COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H](N(C)C)[C@H](C)C1 76051011 UZNXZRJAASQFRA-GDBMZVCRSA-N 345.443 2.134 30 40 EEEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)c1 409215649 CWCLRCVOICVDIT-UHFFFAOYSA-N 343.270 2.401 30 40 EEEB CC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1ccc(Br)cc1 33663463 JSKHEGUBYLMTSK-GFCCVEGCSA-N 340.246 2.417 30 40 EEEB N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2 126776711 WHORCQYJOHVXGK-INIZCTEOSA-N 347.374 2.210 30 40 EEEB Cc1ccc2c(CCNS(=O)(=O)N(C)[C@H](C)CC#N)cn(C)c2c1 225754333 VBFMHTRVFMVAPI-CQSZACIVSA-N 348.472 2.098 30 40 EEEB CCS(=O)(=O)C1CCN(/C(O)=N/[C@H](C)c2cncc(F)c2)CC1 331272440 GXRZLSFCIHTWKD-LLVKDONJSA-N 343.424 2.095 30 40 EEEB C=C[C@@](C)(CC)C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 97104387 PWHHQCLSJMNHFV-LPHOPBHVSA-N 335.492 2.134 30 40 EEEB N#C[C@H](NC(=O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCOC1 79921472 CJEVRHGXEWHGFD-RNCFNFMXSA-N 329.183 2.417 30 40 EEEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)NC3CC3)c(=O)c21 12113544 UIJVBSWYCICGCO-UHFFFAOYSA-N 342.424 2.186 30 40 EEEB Cc1ccc2c(c1)C(=O)/C(=C\Nc1ccc(O)c(C(=O)O)c1)[C@H](O)O2 16348144 PJVYCVYJVNORQK-INMULRNOSA-N 341.319 2.288 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c(OC)c1 169305992 QQSLNVHVHGNFIY-XSNIVNFISA-N 340.379 2.235 30 40 EEEB C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@@H]1C(=O)O 11616938 UQWLOWFDKAFKAP-KGYLQXTDSA-N 325.455 2.399 30 40 EEEB in-vitro COc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)cn1 24049461 YFUVSVWFCQXJGL-UHFFFAOYSA-N 327.388 2.389 30 40 EEEB C=CCOc1ccccc1/C=C1/SC(N2CCN(C)CC2)=NC1=O 23109636 SOLXUYNSAWGCLX-DTQAZKPQSA-N 343.452 2.469 30 40 EEEB CC(C)NC(=O)[C@@H](C#N)C(=O)c1cnn(-c2ccccc2Cl)c1 103726894 CELMUABGUNRJMU-LBPRGKRZSA-N 330.775 2.373 30 40 EEEB N#Cc1ccccc1/C=C/C(=O)N(CCC(N)=O)Cc1ccccc1 53835996 MYKGRQLZBJRCRZ-ZHACJKMWSA-N 333.391 2.476 30 40 EEEB CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccccc1[N+](=O)[O-] 3197255 ZVMIGEGVTJDZBU-CXUHLZMHSA-N 347.400 2.448 30 40 EEEB C=CCSc1nc2ccccc2n1CN1CCC[C@H](C(N)=O)C1 25605901 KNAWYLGWNINYFP-ZDUSSCGKSA-N 330.457 2.469 30 40 EEEB CCNC(=O)COc1ccc(/C=N/Nc2ccccn2)cc1OC 5637059 RVJYYUOATQUJKW-RGVLZGJSSA-N 328.372 2.051 30 40 EEEB C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)NC1(C#N)CCCCC1 7738409 OHYFKVFBGVBWPO-CYBMUJFWSA-N 340.383 2.222 30 40 EEEB Cc1cnn([C@H](C)[C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)c1 69742551 FIYYNKDNSREJMZ-UXLLHSPISA-N 328.416 2.042 30 40 EEEB O=S(=O)(/N=C(\O)c1cccc(-n2ccnc2)n1)c1cccs1 97164821 XTWDWKXHRQIDAY-UHFFFAOYSA-N 334.382 2.022 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C 72300203 MVGBNXVBMZUDHC-MRXNPFEDSA-N 344.440 2.225 30 40 EEEB CC(=O)OCC[C@@H]1S/C(=N\N=C\c2c[nH]c3ccccc23)NC1=O 9914652 NDQSWYWXRVJYRY-RMNBPEERSA-N 344.396 2.043 30 40 EEEB CCCNC(=O)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 76062703 NWBHOPHBFNVVJX-UHFFFAOYSA-N 327.344 2.343 30 40 EEEB C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)NCCNc2ncccc2C#N)C1 195530371 HUUOJTJSPLEEQA-IIAWOOMASA-N 330.432 2.465 30 40 EEEB C/N=C(/NCCc1ccc(C(F)(F)F)cc1)NCc1noc(C)n1 83151595 WQLPMCSPBCYXAK-UHFFFAOYSA-N 341.337 2.305 30 40 EEEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)Cc2cccs2)CC1 245039141 OHNMBMFIMMZPPQ-JOCQHMNTSA-N 342.424 2.459 30 40 EEEB CO[C@@]1(c2nnc(COc3cc(Cl)ccc3C#N)o2)CCOC1 591599503 IDFGJENTYWMILV-HNNXBMFYSA-N 335.747 2.436 30 40 EEEB Cc1cc(C)n2nc(CCCNC(=O)NC[C@@H]3C[C@@H]3C)c(C#N)c2n1 47066015 XMAJUAHWZQXBDQ-FZMZJTMJSA-N 340.431 2.106 30 40 EEEB N#Cc1cccc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 76048110 XFAYYGDVUYMWEA-SFHVURJKSA-N 327.428 2.162 30 40 EEEB N#Cc1ccc(C2(NS(=O)(=O)CC[C@H]3CCOC3)CCC2)cc1 594481260 IGNYYDVUPCYXSD-OAHLLOKOSA-N 334.441 2.283 30 40 EEEB CN1N=C(/C(O)=N/c2nnc(Cc3ccccc3)s2)CCC1=O 27448326 QTIGOKHZSAEVHY-UHFFFAOYSA-N 329.385 2.325 30 40 EEEB C#CCN(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1 60167153 QTZKDADORQXUFM-UHFFFAOYSA-N 334.441 2.466 30 40 EEEB C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc2c(c1)CCCC2 12892257 CHAIHLBMJBWCML-GFCCVEGCSA-N 338.411 2.008 30 40 EEEB Cc1nn(C)c(=O)c(C(=O)N[C@H](C#N)c2c(F)cccc2Cl)c1C 97230336 MGZJASAIEINNAU-GFCCVEGCSA-N 348.765 2.184 30 40 EEEB C#CCN1CCC(C(=O)N(C)Cc2ccc(Br)o2)CC1 65625886 AXFFBVOQHBZFRX-UHFFFAOYSA-N 339.233 2.346 30 40 EEEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)NCc2ccoc2)cc1 69842720 SJPSCCUCODOMBG-UHFFFAOYSA-N 349.412 2.207 30 40 EEEB N#Cc1ccc(N2CCC(NC(=O)C(F)(F)C3(O)CCC3)CC2)cc1 95449168 UAEVJBPMPMEEAF-UHFFFAOYSA-N 349.381 2.194 30 40 EEEB CCN(CC(F)(F)F)C(O)=Nc1ccc(N2CCOCC2)nc1 330797328 GDMMADNAPUUZTI-UHFFFAOYSA-N 332.326 2.348 30 40 EEEB CC(C)N(C)Cc1noc2c1CN(C(=O)C1(C#N)CCCC1)CC2 2055714738 OLXOKVDAULNOAP-UHFFFAOYSA-N 330.432 2.483 30 40 EEEB NS(=O)(=O)c1ccc(/N=C/c2c(Cl)nc3sccn23)cc1 100329234 UCOLHAWBRSMOPS-VIZOYTHASA-N 340.817 2.447 30 40 EEEB CN(C)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccsc1 45809739 WVQCSEHPQPUTNE-HNNXBMFYSA-N 335.454 2.201 30 40 EEEB C#CCn1/c(=N/C(=O)c2c(C)cnn2C)sc2cc(F)ccc21 101126847 UKGFVBFKQUIOIQ-MNDPQUGUSA-N 328.372 2.258 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)CCc3cccs3)CC2)c1 12948840 WLRKJSICUBUIHP-UHFFFAOYSA-N 326.425 2.296 30 40 EEEB CC1(C2CCN(C(=O)NCC#Cc3ccccc3)CC2)OCCO1 95440760 FVRCPIRPNDRNNE-UHFFFAOYSA-N 328.412 2.223 30 40 EEEB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2C#N)c1 9602206 PUCUTFPZCKKLTP-UHFFFAOYSA-N 330.365 2.454 30 40 EEEB CC/C(=N/NS(=O)(=O)c1ccc(OC)cc1)c1ccccc1O 17070461 JJQUNLKPWUEQTA-ICFOKQHNSA-N 334.397 2.493 30 40 EEEB CC#CCNC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 95977469 PAVLFSCXSRJOBN-UHFFFAOYSA-N 330.428 2.374 30 40 EEEB N#Cc1ccc(S(=O)(=O)CCn2ccc(C(F)(F)F)n2)cc1 96484232 VRYPFFCWCZSSQB-UHFFFAOYSA-N 329.303 2.247 30 40 EEEB C=CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 243215409 KHMUSIAKIOHNQO-UHFFFAOYSA-N 337.228 2.062 30 40 EEEB COc1cc([C@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)ccc1O 18097502 RVZBDLJODSTZRD-OAHLLOKOSA-N 325.320 2.267 30 40 EEEB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)nc1 1889138874 POJCYWWEKQYUKQ-QGZVFWFLSA-N 335.411 2.398 30 40 EEEB CCN/C(S)=N/N=C/c1cc(Br)cc(OC)c1O 1968913 PJSVRWDXEZRSFJ-MKMNVTDBSA-N 332.223 2.393 30 40 EEEB CCOC(=O)Cc1csc(NC(=O)COc2ccc(C#N)cc2)n1 2659946 BAHHNDKXMJLJGI-UHFFFAOYSA-N 345.380 2.138 30 40 EEEB C#CCN1CCC(C(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 66921735 CQDXUHHUIAIMOF-IRXDYDNUSA-N 333.520 2.204 30 40 EEEB COCCNC(=S)N/N=C/c1cc(Br)ccc1F 7039952 OMRVQPQHGRSGKW-VIZOYTHASA-N 334.214 2.033 30 40 EEEB CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1O 95993312 FWCAQZUABPVUJS-HIFRSBDPSA-N 340.420 2.115 30 40 EEEB CCOc1cc(/C=N/n2c(S)nnc2CC)ccc1OCC#N 408860209 YVBDDGVQXJXMIT-LICLKQGHSA-N 331.401 2.312 30 40 EEEB N#C[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 218154599 RXZOEDGZRDOTRR-RRQGHBQHSA-N 327.361 2.495 30 40 EEEB CN(c1cccc(C(=O)Nc2ccc(CC#N)cc2)c1)S(C)(=O)=O 222409577 FTNYAKDUKRZOSK-UHFFFAOYSA-N 343.408 2.401 30 40 EEEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225651397 XILCKBKWOVHBSH-BZSNNMDCSA-N 327.405 2.437 30 40 EEEB Cn1ccnc1CN1CC[C@]2(C[C@H](Nc3cccc(C#N)c3)CO2)C1 96218876 FZUFKLLDPCIILT-HKUYNNGSSA-N 337.427 2.137 30 40 EEEB CCOc1ccc(N2C(=O)c3ccc(C(=O)NCC#N)cc3C2=O)cc1 60332140 YALPJPAZCIHKKI-UHFFFAOYSA-N 349.346 2.139 30 40 EEEB N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 5631045 WZLCLOLLPJCYHV-WVWOOGAGSA-N 346.408 2.315 30 40 EEEB O=C(/C(=C/N1CCCC1)c1nnnn1-c1ccccc1)C(F)(F)F 31910893 UIGZJKRATKVCJU-BENRWUELSA-N 337.305 2.230 30 40 EEEB C[C@H](NC(=O)COc1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2 40553602 ATQWYXDOWUPGJW-LBPRGKRZSA-N 335.363 2.309 30 40 EEEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 24021168 QYBPUIRZGRVHTO-NSHDSACASA-N 349.346 2.190 30 40 EEEB Cn1cc(Br)cc(NC(=O)c2sccc2C#N)c1=O 79049571 HFGMOCNZHBQQSM-UHFFFAOYSA-N 338.186 2.333 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1cccc(COc2cccc(F)c2)c1 102754066 BKEULUZECYOSAT-MRXNPFEDSA-N 326.327 2.473 30 40 EEEB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2cccc(C#N)c2)C[C@@H](C)O1 58309440 YRGAGXWGSYPXGP-DAYGRLMNSA-N 327.428 2.272 30 40 EEEB Cc1nn(CC(=O)N[C@@H](c2ccccc2)C(C)C)c(=O)c(C#N)c1C 12911126 KVNHRMSVERDXNX-GOSISDBHSA-N 338.411 2.245 30 40 EEEB C[C@](O)(CNS(=O)(=O)c1ccc(CC#N)cc1)c1ccsc1 95433180 ZCTULBXNVHUHSK-HNNXBMFYSA-N 336.438 2.000 30 40 EEEB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC#N 65606692 AZNUOEUDMDQJHN-VNQPRFMTSA-N 325.412 2.410 30 40 EEEB Cc1cnn(C[C@@H]2CCCN2CC(=O)NC2(C#N)CCCCCC2)c1 71875865 TZTIEEUHMPMRRC-KRWDZBQOSA-N 343.475 2.389 30 40 EEEB Cc1ccccc1S(=O)(=O)/N=C(\O)[C@@H](C)OC[C@@H]1CCCO1 69282353 JFTIEHKUWKRGMK-OLZOCXBDSA-N 327.402 2.224 30 40 EEEB C=CCNc1ccc(S(=O)(=O)N[C@@H](C)CCC)cc1C(=O)O 217656717 TVCZEHYGXBLHCH-NSHDSACASA-N 326.418 2.450 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@]3(CCN(C(=O)c4cccnc4)C3)C2)c1 96218897 KVNLCBIVXHVNJQ-UYAOXDASSA-N 348.406 2.439 30 40 EEEB Cc1csc(CN(C)S(=O)(=O)c2cccc(F)c2C#N)n1 96428084 QVYKFGYGYDMIIH-UHFFFAOYSA-N 325.390 2.283 30 40 EEEB C#CCSCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 97378174 LMSTZSNNAYXSEG-PMPSAXMXSA-N 344.484 2.097 30 40 EEEB CN1Cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2NC1=O 95576943 SOPPFMIUBSUFLF-UHFFFAOYSA-N 342.380 2.336 30 40 EEEB Cc1nc(C)c(F)c(OCC2CCN(c3nccc(C#N)n3)CC2)n1 1888863688 SYPDIQSFYHTLAC-UHFFFAOYSA-N 342.378 2.190 30 40 EEEB CCNc1nc(NCC)nc(N/N=C\c2ccc(N(C)C)cc2)n1 30072229 DAXNQXUJJPOCCF-ODLFYWEKSA-N 328.424 2.247 30 40 EEEB N#Cc1cc(N[C@H]2CCCN(CC(F)(F)F)C2=O)ccc1[N+](=O)[O-] 97145235 GUCICUQZXMLRED-NSHDSACASA-N 342.277 2.432 30 40 EEEB Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C#N)cc1F 97229134 SFTHPZLFZHEOFV-UHFFFAOYSA-N 328.756 2.194 30 40 EEEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 12770582 RPQCDWIYTORNOS-UHFFFAOYSA-N 344.392 2.399 30 40 EEEB CC(C)(C)OC(=O)NCC(=O)N[C@@H]1C/C(=N/O)c2sccc21 104315576 QPJOCIVAEUBKKN-LYAZPEITSA-N 325.390 2.012 30 40 EEEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(N)nc(N)c32)cc1 10339107 KDGHBBDGACRPPR-CYBMUJFWSA-N 337.383 2.214 30 40 EEEB O=C(O)CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 9350247 ZPARPFNLINHCFO-UYTDBDHRSA-N 337.331 2.193 30 40 EEEB CCc1nn(Cc2nnc(Cc3ccccc3)o2)c(=O)c(C#N)c1CC 71893996 KXABQQLEKBGPQX-UHFFFAOYSA-N 349.394 2.262 30 40 EEEB COC(=O)COc1cccc(/C=N/NCc2ccccc2OC)c1 20762888 XQXYBCCFSMENMM-YBFXNURJSA-N 328.368 2.371 30 40 EEEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1cccs1 64099476 UWJVMJCSTVLLNR-MNOVXSKESA-N 333.431 2.368 30 40 EEEB CCNC(=S)N/N=C/c1cc(Br)cc(OCC)c1O 6205744 VLLOTBIVYILYHH-VIZOYTHASA-N 346.250 2.371 30 40 EEEB COc1cc(OC)cc(C(=O)[C@H](C#N)C(=O)NCc2ccccc2)c1 103503526 MGPHHBVOLSDIKV-KRWDZBQOSA-N 338.363 2.343 30 40 EEEB O=C(NCC/N=C/c1ccccc1)c1c(O)c2ccccc2oc1=O 3110461 CQWFAZMSWLNWPF-UDWIEESQSA-N 336.347 2.348 30 40 EEEB Cc1cc(NC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)on1 78729288 RGZKURIPUDSHII-UHFFFAOYSA-N 327.388 2.450 30 40 EEEB N#Cc1ccccc1OCCN1CCN(Cc2cscn2)CC1 58215118 WIGGGLVJAAYDPD-UHFFFAOYSA-N 328.441 2.211 30 40 EEEB N#Cc1cnc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc1N 10323236 SCGPWCBPRYFNLM-ZDUSSCGKSA-N 343.387 2.182 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1 71863629 LMYFVWSZMPRSOT-IBGZPJMESA-N 335.407 2.050 30 40 EEEB COc1ccccc1C/C(N)=N/OC(=O)COc1ccccc1C 18137651 UQEHGWMLXKZKHJ-UHFFFAOYSA-N 328.368 2.441 30 40 EEEB C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2ccc(OC)cc2)CC1 72268173 DNMDTKHUBONIEN-GOSISDBHSA-N 347.459 2.068 30 40 EEEB COc1ccnc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1 72290340 RQPLPDPNWRFUNZ-UHFFFAOYSA-N 346.394 2.232 30 40 EEEB CCc1ccc(C(=O)C2=C(CC(=O)O)C(=O)N(C)[C@@H]2SC)cc1 62716207 FCQYWKQMLBJFED-QGZVFWFLSA-N 333.409 2.364 30 40 EEEB CN(C1CCN(Cc2ccccc2C(C)(C)C#N)CC1)S(C)(=O)=O 96480651 YPOBWUXYFIEPMX-UHFFFAOYSA-N 349.500 2.344 30 40 EEEB C=CCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1CC)CCO2 1079145716 VRLQIJVFSCKWLB-HZPDHXFCSA-N 334.460 2.219 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)NCCC#N)C1 1615571384 KNPIMYXXSOWPQS-ZIAGYGMSSA-N 336.436 2.331 30 40 EEEB COc1cccc(/C=N/OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 1734696 RIAFKWNXKGAUAM-XDHOZWIPSA-N 343.339 2.384 30 40 EEEB C=CCN1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccc(CC)cc1 4538065 DACFUEPUWXTYTH-GTVMRRANSA-N 338.454 2.444 30 40 EEEB COC(=O)C(C(=O)CSc1nccn1C)=C1Nc2ccccc2N1 5358687 OMWLHKUWTPKLGY-UHFFFAOYSA-N 344.396 2.004 30 40 EEEB C[C@](C#N)(NC(=O)CN1CCN(c2ccccc2Cl)CC1)C1CC1 34868289 MBDURLJCSZAFAL-GOSISDBHSA-N 346.862 2.270 30 40 EEEB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCCNc1ncccc1C#N 58315039 DZIRRJCLZHYKGJ-LLVKDONJSA-N 346.337 2.227 30 40 EEEB Cc1nc(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)oc1C 97142026 ZKEUINKLTWYMJW-UHFFFAOYSA-N 326.356 2.136 30 40 EEEB N/C(=N\OC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 5568969 MRJXAZNEVXXXIQ-UHFFFAOYSA-N 349.730 2.491 30 40 EEEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1C 8132854 OGKGCWHSXNXVNE-GOSISDBHSA-N 329.400 2.194 30 40 EEEB N#Cc1cccc(CS(=O)(=O)NCC[C@@H](O)c2ccccc2)c1 89826246 LXMCCUHVZCWVRE-QGZVFWFLSA-N 330.409 2.101 30 40 EEEB Cc1ccc(N2C(=O)[C@H](/C=N\c3cccnc3)C(=O)NC2=S)cc1 408763564 IUYJVGPXEBXLDT-SAGYFLTASA-N 338.392 2.156 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(C#N)CO)cc1 218043962 DXSQVZVQDKDNSR-KURKYZTESA-N 327.405 2.437 30 40 EEEB CCc1c(Cl)nc(C)nc1N(C)CCCc1n[nH]c(N)c1C#N 96453242 GDBNYKMZBGDLRT-UHFFFAOYSA-N 333.827 2.247 30 40 EEEB COc1ncccc1C(=O)N1CCC(Oc2ncccc2C#N)CC1 96119273 DQZWDSDVPNCEFP-UHFFFAOYSA-N 338.367 2.040 30 40 EEEB Cc1cnc(OC[C@]23CCC[C@H]2CN(c2nccc(C#N)n2)C3)nc1 1888863478 AXYGKIJTQDQKNL-KBXCAEBGSA-N 336.399 2.132 30 40 EEEB C#CCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(OCC)ccc21 101337910 KUFKDFVSHAEHCJ-ZCXUNETKSA-N 340.408 2.209 30 40 EEEB Cc1nn(CC(=O)N2c3ccccc3CC[C@H]2C)c(=O)c(C#N)c1C 29502357 YYXIEKKXYGCFLR-GFCCVEGCSA-N 336.395 2.100 30 40 EEEB CCCNC(=O)c1c(/N=C/c2ccc(OC)cc2OC)cnn1C 2797950 VIYLCVOHVRFRRS-VXLYETTFSA-N 330.388 2.328 30 40 EEEB COc1ccc(/C(C)=N\Nc2nc(SCC#N)n[nH]2)cc1OC 6854970 JLKGWSYLQNWGNW-MFOYZWKCSA-N 332.389 2.274 30 40 EEEB CCc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)no1 67951703 OOTUDSOETTXEKK-ZDUSSCGKSA-N 346.412 2.072 30 40 EEEB Cc1cccc(C(N)=O)c1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 84225076 XVDDWZVOWQRNSO-MRXNPFEDSA-N 334.379 2.183 30 40 EEEB Cc1c(Cl)cccc1S(=O)(=O)NCC#CCN1CCCC1 75164719 XYURQWPOSAKJNG-UHFFFAOYSA-N 326.849 2.026 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 225798053 SKXPKQWNULQDNW-ZDUSSCGKSA-N 333.351 2.123 30 40 EEEB C=CCN(Cc1snnc1C)S(=O)(=O)c1ccc(OC)cc1 585090002 FYDMXIUFIPHYLQ-UHFFFAOYSA-N 339.442 2.232 30 40 EEEB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C#N)cc3)OCC(=O)N2C)cc1 96181471 JASIWEHEBMYLGQ-MOPGFXCFSA-N 349.390 2.404 30 40 EEEB C=CCOc1ccccc1C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C 585130520 SPWSORJNTCYWRS-QZTJIDSGSA-N 344.455 2.481 30 40 EEEB C[C@@H](C1CC1)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 245287235 BPPUYJRWLAJTKN-GOEBONIOSA-N 346.500 2.187 30 40 EEEB C#CC[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 252462058 PLKWEVUMSNPOQP-HZVKZAKPSA-N 328.432 2.079 30 40 EEEB biogenic C=CCN1C(=O)[C@H](CC(=O)NCC)S/C1=N\c1ccc(F)cc1 4980130 GXOBNHPYHNYRQD-LAVFMPCWSA-N 335.404 2.469 30 40 EEEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)c(C)c1 140736 HOOMUYDLDJCYNZ-UHFFFAOYSA-N 346.390 2.257 30 40 EEEB COc1cc(/C=N/N2CCOCC2)ccc1OC(=O)c1ccco1 3261564 OURZSLXZBHSLGV-LDADJPATSA-N 330.340 2.174 30 40 EEEB N#CCCN(CCC#N)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 58342246 NSJHAALKGZONTR-UHFFFAOYSA-N 333.775 2.310 30 40 EEEB C=CCNC(=O)NC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C 4580806 VGOBRFRFIMNIMH-UHFFFAOYSA-N 332.400 2.397 30 40 EEEB C#CCOc1ccc(CCNC(=O)N2CCC[C@H]([C@H](C)O)C2)cc1 96483254 MJWQVESFLCVQSJ-RDJZCZTQSA-N 330.428 2.044 30 40 EEEB COc1ccc(CC(=O)OCC(=O)Nc2sccc2C#N)cc1F 7568975 LWPPJZDCGWRPGA-UHFFFAOYSA-N 348.355 2.492 30 40 EEEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1 217471669 ACVUSCFQIQRSKI-UHFFFAOYSA-N 346.408 2.461 30 40 EEEB N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1 585091087 WBLDETHJTOBHED-WDSOQIARSA-N 331.375 2.015 30 40 EEEB CN(C)c1ccc(C(=O)/C=C/c2cnc(N3CCOCC3)nc2)cc1 65606668 IWODCWDFCLMSLN-FPYGCLRLSA-N 338.411 2.275 30 40 EEEB N#Cc1cnn(-c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)c1N 66239610 BOHLYAZMMWVHRZ-UHFFFAOYSA-N 349.369 2.438 30 40 EEEB N#CCN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccccc1 53612506 GNLXTPXOQBHTDM-ROUUACIJSA-N 327.428 2.182 30 40 EEEB C=CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCC2 32106041 NCCQLAYIILQOIZ-KRWDZBQOSA-N 342.439 2.487 30 40 EEEB N#CCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 25747558 WLXSWTHEMROBJM-UHFFFAOYSA-N 348.255 2.213 30 40 EEEB C#CCN1C(=O)[C@@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 2348015 KRLCFAKGXBWMSQ-UWJYYQICSA-N 331.371 2.299 30 40 EEEB CCCCOC(=O)c1ccc(/C=N/n2c(=O)cn[nH]c2=S)cc1 1907127 AJEIBYORHGRYKC-RQZCQDPDSA-N 332.385 2.140 30 40 EEEB COc1ccc(C(=O)NCCNC(=O)Nc2ccc(C#N)cc2)cc1 47333840 BCCRDCUITFCHMB-UHFFFAOYSA-N 338.367 2.118 30 40 EEEB CCc1cccc2c(C/C(O)=N/S(=O)(=O)c3cnn(C)c3)c[nH]c12 95394369 GBIMQRWYDGNUHN-UHFFFAOYSA-N 346.412 2.352 30 40 EEEB CO/N=C\NC(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 8681043 MDSUSHUVDGYWPQ-BLLLJJGKSA-N 327.340 2.436 30 40 EEEB CN(C)c1ccc(CC/N=C(/N)Nc2ccc3c(c2)OCCO3)cc1 69900716 WZIDIELBXGWDLI-UHFFFAOYSA-N 340.427 2.493 30 40 EEEB C[C@H](O)CNC(=O)c1cccc(OCc2ccc(F)cc2C#N)c1 69951740 CEDLUHHSJFLZSH-LBPRGKRZSA-N 328.343 2.387 30 40 EEEB C=CCN(Cc1ccc2oc(C(=O)O)cc2c1)[C@H]1CCS(=O)(=O)C1 573734716 ZOTHSJMMXGWYFZ-AWEZNQCLSA-N 349.408 2.306 30 40 EEEB N#C[C@H](CO)NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 585110590 ZZFKMNAXSWXREQ-LLVKDONJSA-N 328.290 2.008 30 40 EEEB N#Cc1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)cc1 12783599 NBIJYUABIIUUDO-UHFFFAOYSA-N 338.392 2.222 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 12889026 GHIGRDADUISATB-INJPQVFBSA-N 329.396 2.156 30 40 EEEB O=[N+]([O-])C1=C(Sc2ccc(Cl)cc2)/C(=N/O)S(=O)(=O)C1 5570043 AYVOYUPPDQWVON-BENRWUELSA-N 334.762 2.137 30 40 EEEB C=CCN1CCOCC2(CCN(C(=O)C3(C#N)CCCC3)CC2)C1 1565545527 IAPFYLKVUWVHGP-UHFFFAOYSA-N 331.460 2.197 30 40 EEEB COc1ccc(C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)cc1OC 103503540 YNBJVRVULKOWNY-OAHLLOKOSA-N 338.363 2.343 30 40 EEEB Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(C#N)c1C 78379939 ZHFLAFNQUQYSGH-LLVKDONJSA-N 331.420 2.411 30 40 EEEB COc1ccc(N(C)S(=O)(=O)c2ccccc2C#N)cc1OC 58245948 AIQQAFDHECUKSK-UHFFFAOYSA-N 332.381 2.401 30 40 EEEB C=CCNC(=O)CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58344185 HMEVOBXBTDYULC-AWEZNQCLSA-N 344.390 2.357 30 40 EEEB OC[C@@H](O)COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103537176 UUPQLJUUKYLIEW-RXMQYKEDSA-N 338.166 2.215 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cc2cccs2)CC1 47460519 LUDRTEHKTTWABN-UHFFFAOYSA-N 342.424 2.376 30 40 EEEB N#CCOc1ccccc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 409147629 YFXOMVADKZGGFB-BRUGANOGSA-N 335.363 2.120 30 40 EEEB Cc1cnc(CN(C)[C@H]2CCN(CCOc3cccc(C#N)c3)C2)o1 95402345 AWIOHZQQKHAXEL-KRWDZBQOSA-N 340.427 2.440 30 40 EEEB C[C@@H]1CCC[C@@H](NC(=O)COCC(=O)Nc2ccc(C#N)cc2)[C@@H]1C 9805727 RLYPQFNJRZEZOM-CKEIUWERSA-N 343.427 2.454 30 40 EEEB Cc1nc(C)c(CCNS(=O)(=O)c2cccc(F)c2C#N)s1 89559141 RAAFXDQJLSOHQC-UHFFFAOYSA-N 339.417 2.292 30 40 EEEB N#Cc1cc(C#N)c(SCCOc2ccc([N+](=O)[O-])cc2)nc1N 76695590 WIWJOUZWZBHOLC-UHFFFAOYSA-N 341.352 2.486 30 40 EEEB N/C(=N/C[C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CCCCCC1 195540021 KGWITVYUOIDUEP-SFHVURJKSA-N 342.487 2.268 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccncc4)C3)C2)n1 96047686 UTBCJBAQCXVQNV-MJGOQNOKSA-N 335.411 2.194 30 40 EEEB N#C[C@H](C(=O)Nc1ncccn1)C(=O)c1csc2c1CCCC2 101878772 NAHKSOFBKGQKNI-NSHDSACASA-N 326.381 2.378 30 40 EEEB CC(=O)c1cccc(OCCCC(=O)[C@@H](C#N)C(=O)NC(C)C)c1 104055482 KDOMRSGFSVIRFD-MRXNPFEDSA-N 330.384 2.282 30 40 EEEB C=CCOC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 12992950 AGNBCDLPSVXPJX-GOSISDBHSA-N 328.368 2.103 30 40 EEEB CN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 96448411 ZJGHUXRTLFXBMS-ZACQAIPSSA-N 348.468 2.077 30 40 EEEB CSc1nnc(CCC/N=C(/N)N2CCCCC2)n1CC(C)C 69514477 AYHMNURITATDJB-UHFFFAOYSA-N 338.525 2.389 30 40 EEEB CCOC(=O)N1CCC(N/C(N)=N/C[C@H](C)c2ccccc2)CC1 71847211 CGFYMZPVUDDYLY-AWEZNQCLSA-N 332.448 2.315 30 40 EEEB Cc1ccc2c(CCNS(=O)(=O)N(C)[C@@H](C)CC#N)cn(C)c2c1 225754308 VBFMHTRVFMVAPI-AWEZNQCLSA-N 348.472 2.098 30 40 EEEB CC/N=C(/NCc1ccon1)N[C@H]1CCN(c2ccc(F)cc2F)C1 95410943 DQGGTLYMJWXDLN-AWEZNQCLSA-N 349.385 2.287 30 40 EEEB N#Cc1ccc(C(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 23127756 OHDWDTCFYVXWKI-IBGZPJMESA-N 335.407 2.362 30 40 EEEB C=CCN(C(=O)c1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 40556332 ZZDKUEJZEBIFHE-QGZVFWFLSA-N 333.453 2.381 30 40 EEEB COC(=O)c1cc(C#N)c(=O)n(Cc2ncc(-c3ccccc3)o2)c1 25963693 KQGQVBYWOQGTQM-UHFFFAOYSA-N 335.319 2.210 30 40 EEEB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(C#N)cc2)c1 3474519 AMBXKPWYIJXTGM-UHFFFAOYSA-N 340.335 2.371 30 40 EEEB CCOc1cc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)ccc1OC 3560087 RFEVITWRTKVCHT-QQOXCAACSA-N 330.336 2.322 30 40 EEEB C=CC/N=C(\NCc1cc(OC)c(OCC)c(OC)c1)NC1CC1 71804103 PGZGPYWNBDXTMK-UHFFFAOYSA-N 333.432 2.486 30 40 EEEB Cc1nc(CN2CCC[C@H](N(C)Cc3ccc(F)cc3C#N)C2)no1 71870557 FKUHEHVKNMOCEH-KRWDZBQOSA-N 343.406 2.485 30 40 EEEB CN(C)C(=O)c1ccc(NC(=O)CSc2cc(C#N)ccn2)cc1 71918408 XSIOQTXQZFFQQF-UHFFFAOYSA-N 340.408 2.386 30 40 EEEB C=CCNc1ncc(C(=O)NCc2cn(-c3ccccc3)nn2)s1 89893994 JDNHZXWHNYLRAS-UHFFFAOYSA-N 340.412 2.252 30 40 EEEB CC/N=C(/NCc1ncnn1C)N1CC[C@@H](c2ccccc2)[C@H](C)C1 225511516 NASMNKYFWGLAII-NVXWUHKLSA-N 340.475 2.406 30 40 EEEB C=CCOC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1 96189043 APJZDAAHZQRHKG-OAHLLOKOSA-N 331.441 2.348 30 40 EEEB Cn1ccc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2c1=O 330032908 UJNBTJFMGQPYJN-UHFFFAOYSA-N 339.376 2.211 30 40 EEEB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@@H](C(=O)CO)CC[C@@H]12 257198452 ZFQSDPPADTWKDI-ZVIOFETBSA-N 344.451 2.443 30 40 EEEB Cc1cc2c(NC(=O)[C@@]3(c4ccccc4)CCNC3)n[nH]c2cc1C#N 593916734 QJYJGSYXLFDWIT-FQEVSTJZSA-N 345.406 2.613 30 40 EEEB C[C@H](N[C@@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N(C)CCC#N 76046819 LAXKDYBDDBVHGK-DZGCQCFKSA-N 331.464 2.366 30 40 EEEB CN(Cc1cc(Cl)cn1C)C(=O)NCCNc1ncccc1C#N 89755018 HTGBHZIJKPLEQQ-UHFFFAOYSA-N 346.822 2.199 30 40 EEEB N#Cc1ccc(N2CCC[C@H](Nc3ccc4c(c3)C(=O)NC4)C2=O)cc1 97233363 MIJBUVAPPJFLPO-SFHVURJKSA-N 346.390 2.409 30 40 EEEB N#Cc1cccnc1N1CCN(c2ccc(-c3ccco3)nn2)CC1 1888922022 GYUVCMNTGCZTKT-UHFFFAOYSA-N 332.367 2.330 30 40 EEEB CS(=O)(=O)Cc1ccc(C(=O)NCC#Cc2ccccc2)cc1 32899017 XAIVLAVPYBHZDM-UHFFFAOYSA-N 327.405 2.013 30 40 EEEB CN(C)C1=C(C(=O)c2ccccc2)NS(=O)(=O)c2ccccc21 507468 NXPOAQIZVCLZIW-UHFFFAOYSA-N 328.393 2.092 30 40 EEEB C[C@@H](COc1cccc(C#N)c1)OC(=O)[C@@H]1CCc2cn[nH]c2C1 78948346 GMHRHKXIZQNBLN-GXTWGEPZSA-N 325.368 2.397 30 40 EEEB C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H](C)C(C)C)cc1 58290813 JWHUSKDLPFSNOZ-AWEZNQCLSA-N 348.468 2.247 30 40 EEEB N#CCCn1ncc2c(NC[C@@H]3COc4ccccc4C3)ncnc21 97199904 GECGETIMOPQVFC-CYBMUJFWSA-N 334.383 2.403 30 40 EEEB N#Cc1ccccc1N1CCCN(CC(=O)N2CCCCC2)CC1 46087040 XIUFLNTYNXXAJK-UHFFFAOYSA-N 326.444 2.083 30 40 EEEB C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(C#N)c1 72304540 PNOQCKVEWVAOLQ-CYBMUJFWSA-N 325.412 2.384 30 40 EEEB N#CC1(NC(=O)COC(=O)CCCOc2ccccc2)CCCC1 4318219 NBESIEKKVACOIV-UHFFFAOYSA-N 330.384 2.341 30 40 EEEB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C#N)c3)ccc21 36148330 XQDHFBPOBFOMQN-UHFFFAOYSA-N 343.364 2.287 30 40 EEEB COc1cc(/C=N\N2C(=O)c3ccccc3C2=O)cc(OC)c1OC 31760877 QXDDXRUPJCLRPF-GRSHGNNSSA-N 340.335 2.343 30 40 EEEB CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)C1CCCCC1 226056231 BHYBSMPIWYHKJM-UHFFFAOYSA-N 349.456 2.285 30 40 EEEB N#Cc1cccc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)c1 96202308 XEZBSKPDPMDHAL-FQEVSTJZSA-N 349.438 2.077 30 40 EEEB C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C)o2)c1 33024011 ZJUKMYBGXYTHCU-UHFFFAOYSA-N 348.424 2.325 30 40 EEEB Cn1ccnc1[C@](O)(CC(=O)Nc1cccc(C#N)c1)C(F)(F)F 44896082 IWTAGPIRKFLJJL-CQSZACIVSA-N 338.289 2.070 30 40 EEEB N#Cc1cn(-c2ccc(NC(=O)CC[C@@H]3CCCOC3)cc2)nc1N 95407094 LDBAMFIXKHKLIQ-ZDUSSCGKSA-N 339.399 2.471 30 40 EEEB N#CC1(C(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)CCCC1 84538986 UXINQEUBXGOEGU-ZWKOTPCHSA-N 339.439 2.182 30 40 EEEB C#CCOCCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 93245441 PCVXDFRSIRGAMT-LSDHHAIUSA-N 341.329 2.380 30 40 EEEB COc1ccc(N2CC(=O)C(c3nc(C)cs3)=C2N)cc1OC 13732031 IDKGSFGKIHWLDC-UHFFFAOYSA-N 331.397 2.185 30 40 EEEB CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(c2ccccc2)C1 408564152 VDDUBEXATOULSR-LJQANCHMSA-N 335.363 2.391 30 40 EEEB Cc1csc(N2CCN(c3nnc(C)c(C)c3C#N)C[C@@H]2C)n1 69897212 ITTJWCNOWZPNPG-NSHDSACASA-N 328.445 2.445 30 40 EEEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/Cc2ccccc2)C1=O 408526574 DWSWOEQRCROAIY-RVZJCZPVSA-N 335.363 2.465 30 40 EEEB CCn1ccnc1[C@H](NC(=O)c1ccc(C#N)cn1)C1CCOCC1 519654195 CNVVZQNKBQVNPB-MRXNPFEDSA-N 339.399 2.067 30 40 EEEB Cc1ccc(C)c(NC(=O)CSc2nc(=O)[nH]c(C)c2C#N)c1 32776357 BXIHWDDIZZQBRH-UHFFFAOYSA-N 328.397 2.298 30 40 EEEB CC/N=C(/NCc1ncnn1C)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 225511579 NASMNKYFWGLAII-DOTOQJQBSA-N 340.475 2.406 30 40 EEEB C=CCN1C(=O)COC2(CCN(Cc3c(C)noc3C)CC2)[C@@H]1C 96201542 JTDBYZMGIGQWAX-HNNXBMFYSA-N 333.432 2.059 30 40 EEEB C#CCNC(=O)CCNC(=O)Nc1ccccc1N1CCCCCC1 50053202 BPOXYCBZHHVVII-UHFFFAOYSA-N 342.443 2.328 30 40 EEEB O/C(CN1CCC[C@@H]1Cn1cccn1)=N\c1nnc(C2CC2)s1 19714136 QNPURRHQDWLSEU-GFCCVEGCSA-N 332.433 2.365 30 40 EEEB COc1ccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@@H]2[N+](=O)[O-])cc1 100253269 GSGRGWRZNNSBJZ-ZIAGYGMSSA-N 330.344 2.202 30 40 EEEB C=CCc1cc(CNC(=O)Cn2cc(C)cn2)cc(OC)c1OC 50525425 JJORRBBDJPPLMG-UHFFFAOYSA-N 329.400 2.254 30 40 EEEB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C 11371636 UAPWMAFWAXKUHY-MEBBXXQBSA-N 338.433 2.093 30 40 EEEB C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O 4488325 ZCNMVPRVNFNONM-GFCCVEGCSA-N 348.380 2.052 30 40 EEEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 4936318 FMRWYRIQNJXWQG-UHFFFAOYSA-N 346.412 2.275 30 40 EEEB CCOc1cccc2c1OC[C@@H](C(=O)N[C@@]1(C#N)CCSC1)C2 71883282 WHKZAVBVZCJZAE-SUMWQHHRSA-N 332.425 2.152 30 40 EEEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccco1 19927991 YUFVNRWACPEGDV-AWEZNQCLSA-N 330.340 2.013 30 40 EEEB C#Cc1cccc(N(CC(=O)NC)Cc2csc([N+](=O)[O-])c2)c1 68971388 TVXQVQIDAPLNHA-UHFFFAOYSA-N 329.381 2.390 30 40 EEEB CN(CC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1 16629209 OXJZZWXYRYEFES-ZDUSSCGKSA-N 343.408 2.330 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 408719948 UELFMBWVEJCSNZ-NLJIGXGMSA-N 335.157 2.183 30 40 EEEB COC(=O)CCNC(=O)c1occc1COc1cccc(C#N)c1 69527461 XUJKELYLBHJQFG-UHFFFAOYSA-N 328.324 2.023 30 40 EEEB N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCc2ccc(F)cc21 84459343 XFLMKABYRXPEBE-MRXNPFEDSA-N 331.372 2.444 30 40 EEEB C/N=C(/NCCc1ccn(C(C)C)n1)NCCc1ccncc1C 95974598 QJYNLSFLGMQYED-UHFFFAOYSA-N 328.464 2.118 30 40 EEEB Cc1nc(-c2ccccc2)sc1CO/N=C(/N)CN1CCOCC1 78640119 QQPSYYYFDYKMMM-UHFFFAOYSA-N 346.456 2.240 30 40 EEEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)C1CCC1)OCO3 35311911 IRCYUIGNORLKRT-UHFFFAOYSA-N 338.367 2.163 30 40 EEEB OC1=N[C@@H]2CCCC[C@H]2N(/C(O)=N/CCc2cnc(C3CC3)nc2)C1 328883107 XPILCEAQQHNOAB-HUUCEWRRSA-N 343.431 2.394 30 40 EEEB C=CCN1C(=O)CC[C@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccc(C)cc1 96186266 GOPXBZWUEIHYKI-IRXDYDNUSA-N 348.468 2.076 30 40 EEEB Cc1cc(F)cc(S(=O)(=O)N(CCC#N)C2CCOCC2)c1 80756739 PJAACJICOGYDHG-UHFFFAOYSA-N 326.393 2.218 30 40 EEEB CC1=C/C(=N\OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=CC1=O 16779831 OPAARQIAGJUFSJ-DHDCSXOGSA-N 331.240 2.101 30 40 EEEB C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1c(Cl)cc(C#N)cc1Cl 619676936 AEKJZFILMVHOBG-CPCISQLKSA-N 326.183 2.262 30 40 EEEB N#Cc1cccnc1N1CCN(c2ccc(-c3cccnc3)nn2)CC1 1775974314 WPGIMSUYHVZDBL-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB Cc1nn(Cc2c(C#N)c(C)nn2-c2ccccc2)c(=O)c(C#N)c1C 40464875 IWPWYAWTRVJXMB-UHFFFAOYSA-N 344.378 2.146 30 40 EEEB C/C(=N/N=C1\N=C(O)[C@H](CC(=O)O)S1)c1ccc([N+](=O)[O-])cc1 6562211 GAQIQUXIXFUGAG-VNCYPQDWSA-N 336.329 2.221 30 40 EEEB C=CCOc1ccccc1C(=O)NCc1ccc(-n2cncn2)nc1 58152743 XPTQTUXAQAOQOU-UHFFFAOYSA-N 335.367 2.157 30 40 EEEB N#Cc1cccc(NC(=O)C2CCN(c3ncnc4[nH]cnc34)CC2)c1 58193589 KSGZUCXWXLYHLN-UHFFFAOYSA-N 347.382 2.080 30 40 EEEB C#CCNC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 88501174 AKCJNJKGDIODJB-UHFFFAOYSA-N 329.175 2.199 30 40 EEEB CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCNc1ncccn1 66161124 PRBGEAFUHOLUFY-UHFFFAOYSA-N 338.415 2.380 30 40 EEEB C#CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 67194129 KXXKZFLVEALVKA-UHFFFAOYSA-N 338.427 2.175 30 40 EEEB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)Nc1sccc1C#N 69621396 HVHFEDQVZHCUHN-HUUCEWRRSA-N 346.456 2.034 30 40 EEEB N#Cc1ccc(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)cc1 96084031 UKSXVDFOTQFBFY-UHFFFAOYSA-N 333.395 2.164 30 40 EEEB N#Cc1ccccc1OCCN1CCN(C(=O)C2CC=CC2)CC1 1615585986 KEKUSEYUGYRABD-UHFFFAOYSA-N 325.412 2.047 30 40 EEEB C#CCOc1cccc(NC(=O)NCCCCn2ccccc2=O)c1 79355739 PDTDSHFIOMTKAJ-UHFFFAOYSA-N 339.395 2.462 30 40 EEEB COC[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 95409303 AQIWCMUPYLISBA-LLVKDONJSA-N 348.346 2.377 30 40 EEEB N#Cc1cc(Br)ccc1NC[C@H]1CCCS1(=O)=O 96008526 ZNYFVGCWUCPSIU-LLVKDONJSA-N 329.219 2.310 30 40 EEEB N#Cc1ccc(OCC(=O)N2CCCc3c(C(N)=O)cccc32)cc1 65436716 VWUIULLLMZZROA-UHFFFAOYSA-N 335.363 2.015 30 40 EEEB C#CCOc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1 4472352 VYONJIJFIDSKHV-ZTMOJVSCSA-N 345.376 2.296 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3C#N)C2=O)cc1 408526892 HQYRSJAENYLGRV-HNNXBMFYSA-N 346.346 2.468 30 40 EEEB C=CCN1CC[C@]2(CN(C(=O)Cc3cccc(F)c3)C[C@H]2C)C1=O 249688657 IJFVZRZATLLJTA-AUUYWEPGSA-N 330.403 2.251 30 40 EEEB CC(C)(C)OC(=O)N1CCC[C@H](C#CC(=O)NCc2nccs2)C1 585121413 OTBUGSLZDPMENZ-CYBMUJFWSA-N 349.456 2.410 30 40 EEEB N#CCCN(CCN1CCOCC1)C(=O)/C=C/c1c(F)cccc1F 69369944 VFYRIJZOEVPNAQ-AATRIKPKSA-N 349.381 2.052 30 40 EEEB N#Cc1cccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1 1148897775 SICNUZRPOZSRJC-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB CC1(C)Cc2c(sc(NC(=O)CCN3CCOCC3)c2C#N)CO1 20027168 WVGGSMMBNXPPTR-UHFFFAOYSA-N 349.456 2.132 30 40 EEEB C=CCN1C(=O)NC(=O)/C(=C(/CC)NCCC2=CCCCC2)C1=O 101083934 BPVJWVZRALACIN-CCEZHUSRSA-N 331.416 2.395 30 40 EEEB N#C[C@@H](C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccn1 41480601 ONWLCQVKMGHHMZ-CQSZACIVSA-N 334.310 2.257 30 40 EEEB N#CC1CCN(C(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)CC1 58364297 JBUHMZJCSBDTSZ-INIZCTEOSA-N 332.448 2.255 30 40 EEEB C=CCN(CC=C)C(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 107782806 DPPAJHCFRGQWOC-UHFFFAOYSA-N 348.362 2.091 30 40 EEEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 101312519 SDBGKGISJZKUGD-SAFUZZNQSA-N 338.454 2.006 30 40 EEEB C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H](O)c1ccc(F)cc1 95433092 WPBUBCUURJIZMB-YVEFUNNKSA-N 348.399 2.239 30 40 EEEB C=CCNC(=O)CNC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 96010651 OURXWFMISAOCNG-UHFFFAOYSA-N 349.394 2.449 30 40 EEEB C=CC[C@@H]1N(c2ccccc2C)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 4029005 YVOPSVWVGZDOKC-NTODXPRQSA-N 325.364 2.311 30 40 EEEB biogenic Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1 4102065 GZLZCHMVYKPCEN-UHFFFAOYSA-N 328.331 2.179 30 40 EEEB C#Cc1cccc(NC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1 72230591 UAKOEGRUBRIREW-ZBFHGGJFSA-N 343.427 2.063 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CC1 43735421 GHIGRDADUISATB-LCEIHVTHSA-N 329.396 2.156 30 40 EEEB N#Cc1ccc(S(=O)(=O)NCc2cccc(CO)c2)c(Cl)c1 195556094 DWTWXXFYSPPTCT-UHFFFAOYSA-N 336.800 2.182 30 40 EEEB OC[C@H](O)COCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F 1083806359 MOFSZYLQHJKVKN-YFKPBYRVSA-N 338.166 2.420 30 40 EEEB CC1(C)[C@@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C[C@H]21 101364270 WJRIUKQFNSOMMQ-HZPDHXFCSA-N 339.443 2.219 30 40 EEEB N#Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1 23249151 RGCQWMSTGCDGSZ-UHFFFAOYSA-N 334.423 2.315 30 40 EEEB COCC/N=C(/NCCCc1nc2ccccc2[nH]1)N1CCCC1 95405074 DDSBOZKQCRSUNF-UHFFFAOYSA-N 329.448 2.183 30 40 EEEB CC(C)Cn1ccnc1CNS(=O)(=O)c1ccc(C#N)cc1F 96000329 WRILEOMIHCTVCY-UHFFFAOYSA-N 336.392 2.028 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1cccc([N+](=O)[O-])c1 5447297 LMFPLYATWHOPMB-CQSZACIVSA-N 340.343 2.239 30 40 EEEB N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C(N)=O)cc1 69628338 CJKKIIHJXQPIGV-UHFFFAOYSA-N 347.371 2.034 30 40 EEEB CCN(CC)S(=O)(=O)CCNc1ccc2cc(C#N)ccc2n1 92896239 SWTUWGFBFBETQV-UHFFFAOYSA-N 332.429 2.190 30 40 EEEB CN(C)[C@@H]1CCC[C@@H](NC(=O)NCCOc2ccc(C#N)cc2)C1 89314003 BJRZKVPKXVCFJU-HZPDHXFCSA-N 330.432 2.109 30 40 EEEB Cc1nnc(SCCCN2CCN(C(C)C)CC2)c(C#N)c1C 191558060 GUNQOWNGYYPNHG-UHFFFAOYSA-N 333.505 2.473 30 40 EEEB N#Cc1cccc(C(=O)N2CCn3cc(CN4CCCC4)nc3C2)c1 96197236 DRMRCPFPAXWVJH-UHFFFAOYSA-N 335.411 2.007 30 40 EEEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nccs2)CC1 57460494 KCMVJZQOPSBRDG-ZDUSSCGKSA-N 341.440 2.164 30 40 EEEB COc1cc(-c2c(C#N)c(N)nc(S)c2C#N)cc(OC)c1OC 70404 HJHHFEUMAYTLCM-UHFFFAOYSA-N 342.380 2.389 30 40 EEEB CC[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 42844015 KEYGCDSXDAWOHH-LBPRGKRZSA-N 343.387 2.436 30 40 EEEB Cc1nsc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n1 72311228 FUDPFTXMOGOYPU-UHFFFAOYSA-N 328.401 2.072 30 40 EEEB N#Cc1cc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)ccc1F 108531427 VFCQXUKDZDLOQX-OALUTQOASA-N 329.419 2.382 30 40 EEEB N#Cc1ccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1 58159050 ZWPFKNNBJDJOJN-UHFFFAOYSA-N 336.395 2.025 30 40 EEEB C=CCN(CCc1ccccc1)C(=O)COc1ccc(C(N)=O)cc1 58265853 JJFXCMUKSOCKGM-UHFFFAOYSA-N 338.407 2.422 30 40 EEEB COC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 102771144 KHKUZNBXTPZGTO-VSGCLNPGSA-N 349.346 2.229 30 40 EEEB N#Cc1ccccc1N1CCCN(CC(=O)NC2CCCC2)CC1 46086850 DQQNCXBRWTZRSX-UHFFFAOYSA-N 326.444 2.129 30 40 EEEB C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(C)C)cc1 48332776 IJSSHJJPSQQPES-MRXNPFEDSA-N 336.457 2.412 30 40 EEEB COC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 13736325 IJWNVCRZTFSTFL-UHFFFAOYSA-N 343.408 2.263 30 40 EEEB N#Cc1ccccc1CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 96797848 DWXXJEDTWJJAAQ-INIZCTEOSA-N 330.409 2.341 30 40 EEEB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2ccccc2C#N)C1 84259206 JJEJFQHXRAKOEO-GOSISDBHSA-N 338.411 2.478 30 40 EEEB Cn1nnnc1S/C=C\C(=O)c1ccc(Br)cc1 16363619 NWLMLDGACFHYAQ-SREVYHEPSA-N 325.191 2.461 30 40 EEEB N#Cc1c(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc2c1CCCC2 4392495 PJJSTKHBSBBAPZ-SNVBAGLBSA-N 338.454 2.262 30 40 EEEB N#Cc1ncccc1N1CCN(c2cc(C(F)(F)F)ncn2)CC1 1889091548 YGHYQQVTCABUNM-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1N1CCCC1=O 15361469 JYBRWKSJIUVNLH-GOSISDBHSA-N 328.416 2.280 30 40 EEEB C[C@H](C#N)CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)N(C)C[C@H](C)C#N)C1 106516189 BIJYPQSNWDQUBN-FPCVCCKLSA-N 332.448 2.029 30 40 EEEB Cc1nn(CC(=O)N2c3ccccc3CC[C@@H]2C)c(=O)c(C#N)c1C 29502359 YYXIEKKXYGCFLR-LBPRGKRZSA-N 336.395 2.100 30 40 EEEB CN(CCC#N)C(=O)COC(=O)CCc1nc2ccccc2s1 3282051 NBDHXKRVLWFCQM-UHFFFAOYSA-N 331.397 2.144 30 40 EEEB N#Cc1ccc(OCC(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)cc1 12942826 HFKOUOPCVBFAGR-UHFFFAOYSA-N 337.314 2.500 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/Nc1ccccc1 408742356 WEDACMOBMZABJL-XWAFYUISSA-N 338.392 2.148 30 40 EEEB C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 14139330 XIOFORDSZYDHPS-NEPJUHHUSA-N 333.457 2.404 30 40 EEEB COC(=O)C1CCN(C(=O)CSc2nc(C)cc(C)c2C#N)CC1 5642170 YPJVJJDTXDOGMC-UHFFFAOYSA-N 347.440 2.074 30 40 EEEB CC(C)Cc1noc(C[S@@](=O)CC(=O)Nc2cccc(C#N)c2)n1 69442051 CNYCMKHEDMTWBU-XMMPIXPASA-N 346.412 2.027 30 40 EEEB CCc1nc(CC/N=C(/N)Nc2ccc3c(c2)OCCO3)cs1 72272550 STXCRBOPMBWESQ-UHFFFAOYSA-N 332.429 2.446 30 40 EEEB Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)[C@H]1CCOc2ccccc21 77558821 HHYPBEXDWGFXKH-ZDUSSCGKSA-N 349.412 2.248 30 40 EEEB CCc1noc([C@@H]2CCCN(S(=O)(=O)c3cccc(C#N)c3)C2)n1 41122301 AROVMRONQLNDGK-CYBMUJFWSA-N 346.412 2.072 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cn(C)nc2C)cc1Cl 80298792 BBPJILIXSLMUGM-UHFFFAOYSA-N 327.793 2.384 30 40 EEEB C/C(=N\O)[C@@H]1C[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1(C)C 585120918 WTLFWNOHNRTWKW-ROJSYIFRSA-N 349.475 2.264 30 40 EEEB N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 79310017 BJJCQKYWNNDZES-IBGZPJMESA-N 330.391 2.408 30 40 EEEB CSc1nnc(C(C)(C)C)c(=O)n1/N=C1\Nc2ccccc2C1=O 6022915 VLZWRHCKCBLDSY-UHFFFAOYSA-N 343.412 2.128 30 40 EEEB CC(=O)Nc1cccc(N2CC(=O)C(c3nc(C)cs3)=C2N)c1 13691993 RGRZSBXFWRNEJF-UHFFFAOYSA-N 328.397 2.127 30 40 EEEB O=S(=O)(N/N=C/c1ccncc1)c1ccc(Br)cc1 3472167 SDOBMNUNWUURLE-OQLLNIDSSA-N 340.202 2.157 30 40 EEEB C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@@H]2OC(=O)C(=C)[C@H]21 230107019 FDLLEBFMOIHMNM-XWESNNAXSA-N 344.363 2.164 30 40 EEEB biogenic,in-vitro N#Cc1ccc(COC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 6602706 JREUVGXYQXBZRA-UHFFFAOYSA-N 335.319 2.118 30 40 EEEB COc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1F 40462783 WLAVLJDMNJNCIN-UHFFFAOYSA-N 326.375 2.423 30 40 EEEB C=CCc1ccccc1OC[C@H](O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 100702699 JVWUCIUEDZXURM-IKGGRYGDSA-N 341.407 2.106 30 40 EEEB N#Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 24809763 KFZQQKQULZORFA-UHFFFAOYSA-N 333.269 2.344 30 40 EEEB CN(C)[C@H]1CCOC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 108526420 YZIVLMZZTOZMJN-KRWDZBQOSA-N 327.428 2.274 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)[C@H]3CCCO3)c2C#N)C1 3362600 QZXQVRLOCPOAQL-GXFFZTMASA-N 348.424 2.405 30 40 EEEB Cc1ccccc1[C@@H](C#N)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 66405919 UXRQRPRPYFYBEF-WCQYABFASA-N 339.317 2.087 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2nc3ccccn3n2)c(Cl)c1 97379439 HJGIKHLPKOSNKR-UHFFFAOYSA-N 333.760 2.055 30 40 EEEB CC(C)(C)NC(=O)CN1CCC(CNCc2cc(C#N)cs2)CC1 80373686 FUYSLDKXYGXITD-UHFFFAOYSA-N 348.516 2.336 30 40 EEEB CCCn1c(O)nnc1SCC(=O)N(CCC#N)Cc1ccco1 8748378 GPHFLFAOCNLQNJ-UHFFFAOYSA-N 349.416 2.021 30 40 EEEB O=C1OC2(C(=O)c3ccccc3C2=O)C(C(=O)c2cccs2)=C1O 66088206 MSZBZPJJVINFLR-UHFFFAOYSA-N 340.312 2.118 30 40 EEEB C#Cc1cccc(N(C(=O)C2CCN(S(C)(=O)=O)CC2)C(C)C)c1 77293626 SUCZHNUSYUMODY-UHFFFAOYSA-N 348.468 2.081 30 40 EEEB CN(CCCOCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 77238942 NFWXJXOCPOGCKA-UHFFFAOYSA-N 336.335 2.148 30 40 EEEB C=CCC1(CC=C)CCN1C(=O)c1cnc(N2CCOCC2)nc1 12325720 DXJDOZNEHJHKNN-UHFFFAOYSA-N 328.416 2.050 30 40 EEEB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC#N)c1 3564790 QXHHAIFBHOJNPP-UHFFFAOYSA-N 330.365 2.192 30 40 EEEB N#Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 40512067 NFQUIJATMARLPK-UHFFFAOYSA-N 347.378 2.258 30 40 EEEB CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C\c1ccc(CC)cc1)N2 105627852 XDCLZTMYFBYPEZ-SDNWHVSQSA-N 339.395 2.169 30 40 EEEB C=CCN1C(SCc2cccc(F)c2)=N[C@@H]2CS(=O)(=O)C[C@H]21 9306515 NBJYMRWDIZKRDC-ZIAGYGMSSA-N 340.445 2.082 30 40 EEEB COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2)c1 71803498 MWSOIQCRIVBYIP-LLVKDONJSA-N 339.351 2.088 30 40 EEEB CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O 83859024 BKXWWGLNOMEQTA-RTBURBONSA-N 335.407 2.329 30 40 EEEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218436432 RHTDWAWNXDHRHS-YQQAZPJKSA-N 345.351 2.360 30 40 EEEB N#Cc1ccsc1NC(=O)COC(=O)c1ccc(NC2CC2)nc1 63989202 TVLVTEJLLVFXFN-UHFFFAOYSA-N 342.380 2.385 30 40 EEEB CS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc([N+](=O)[O-])cc1 95097896 UYDVAQLGUWQWKF-UHFFFAOYSA-N 335.366 2.221 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)c4ccncc4)C3)C2)c1 96218910 CZVCZVKRHWCXCU-AZUAARDMSA-N 348.406 2.439 30 40 EEEB N#Cc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)c2ccccc21 14137301 YHJGXGVGAVHVSV-UHFFFAOYSA-N 339.738 2.380 30 40 EEEB COC(=O)c1sc(N)c(C(=O)OC)c1COc1ccccc1C#N 5216055 PUXNWLDOQOFVKA-UHFFFAOYSA-N 346.364 2.354 30 40 EEEB CC/N=C1/S[C@H](C(=O)Nc2ccc(OC)cc2)CC(=O)N1CC 100203607 DNVGZJFGVOJQAF-CMTMBAJVSA-N 335.429 2.364 30 40 EEEB C=CCc1ccccc1OC[C@@H](O)CN1C(=O)NC2(CCCC2)C1=O 24094696 CQWODEDJCXJHGM-HNNXBMFYSA-N 344.411 2.019 30 40 EEEB COCCNC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 9157498 ZGORBAXDDXCCNU-UHFFFAOYSA-N 333.335 2.135 30 40 EEEB COc1ccc([C@]2(C)NC(=O)N(/N=C/c3ccc(C)o3)C2=O)cc1 3579650 VODAGDGLIRWPAO-DKFVHQPUSA-N 327.340 2.398 30 40 EEEB CS[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 65592755 JZBIQWRPQNPKJV-GXFFZTMASA-N 335.454 2.150 30 40 EEEB Cc1cccn2cc(CCNC(=O)C#Cc3ccc4c(c3)OCO4)nc12 95417013 JLPOJXYYACCLMF-UHFFFAOYSA-N 347.374 2.082 30 40 EEEB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCC#N)c1 9836504 UNODOXJPTIMNRW-UHFFFAOYSA-N 336.413 2.320 30 40 EEEB N#CC1(NC(=O)CSc2nc3sccc3c(=O)[nH]2)CCCCC1 8456792 UXJOFBVGGKGERK-UHFFFAOYSA-N 348.453 2.419 30 40 EEEB CC[C@H](C)CS(=O)(=O)/N=C(\O)c1cccc2c1O[C@H](C)C(=O)N2 79029180 XWNHITPJTLFRRQ-VHSXEESVSA-N 340.401 2.087 30 40 EEEB COc1ccc(CN2CCC(C/N=C(/N)N(C)C3CC3)CC2)cc1 252482414 DETLTEHVQKJQKV-UHFFFAOYSA-N 330.476 2.316 30 40 EEEB COc1cccc(OC)c1/C=N\n1c(S)nnc1C(F)(F)F 4293341 VFRAVVJZUYYUMR-SOFYXZRVSA-N 332.307 2.485 30 40 EEEB C#CCNC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12158415 UKXQWVNIRUJYNY-MRXNPFEDSA-N 344.386 2.255 30 40 EEEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C#N)cnn32)cc1O 44921590 BRMFHTSMZOTDRN-QGZVFWFLSA-N 336.351 2.491 30 40 EEEB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccccc2C#N)CC1 4241820 XOOZIOBTTGKRJZ-OAHLLOKOSA-N 345.399 2.237 30 40 EEEB C[C@@H](C#N)CN(C)C(=O)c1cc(Br)c2c(c1)OCCO2 58178390 QQPREINQQFCUGB-VIFPVBQESA-N 339.189 2.452 30 40 EEEB CNS(=O)(=O)c1cccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 58357453 YHWOJEAQJOHTDS-CMDGGOBGSA-N 346.364 2.399 30 40 EEEB C/N=C(\NCc1cnn(C)c1)NC[C@H](C)Oc1ccc(Cl)cc1 95963358 KGKUCJZYUPZFAB-LBPRGKRZSA-N 335.839 2.206 30 40 EEEB Cc1nc(-c2ccc(OCC(=O)N[C@](C)(C#N)C3CC3)cc2)no1 46030352 NAXURIAISNREGE-QGZVFWFLSA-N 326.356 2.232 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc2c(cc1Cl)OCO2 104684355 UNJXVVXUVDKPMK-LATLYDPESA-N 344.754 2.210 30 40 EEEB C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 69415910 PXVZWYFQYAVARV-IXDOHACOSA-N 333.453 2.300 30 40 EEEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3cccnc3)C(=O)NC2=S)cc1 408763569 IUYJVGPXEBXLDT-VAODSVERSA-N 338.392 2.156 30 40 EEEB CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)c2cc(Cl)ccc21 175345478 PVGBJPPFURFPEA-UHFFFAOYSA-N 348.815 2.252 30 40 EEEB CNC(=S)NCCCNc1nc2ccc(OC)cc2cc1C#N 35312330 SZXOUUAWHFCYLJ-UHFFFAOYSA-N 329.429 2.011 30 40 EEEB CCC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)cc1 194813500 VPVIYKRQHWGFQR-INIZCTEOSA-N 335.429 2.348 30 40 EEEB COc1ncccc1NC(=O)N1CCc2c(sc(N)c2C#N)C1 583650600 PHYMVYDOELLMPA-UHFFFAOYSA-N 329.385 2.196 30 40 EEEB COc1ccccc1OCC#CCNC(=O)COc1ccc(F)cc1 90610376 XCTBJGUMYRKYKC-UHFFFAOYSA-N 343.354 2.412 30 40 EEEB CSc1ncc(C#N)c(N2CC[C@H](Oc3ccncc3C)C2)n1 1889096049 PFGIQIWFTMRAHS-ZDUSSCGKSA-N 327.413 2.431 30 40 EEEB O=C(O)c1ccc(/N=C\c2c[nH]n3c(=O)c4ccccc4nc23)cc1O 100962724 XTYSRNYHZMVLQB-UWVJOHFNSA-N 348.318 2.330 30 40 EEEB C/N=C(/NCCNC(=O)C1CC1)NCC1(Sc2ccccc2)CC1 95963021 PVFTYFIYXKZWIZ-UHFFFAOYSA-N 346.500 2.003 30 40 EEEB N#CC1(NC(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CC1 96426524 FWVWRBMHAFQCJF-OWOJBTEDSA-N 349.184 2.406 30 40 EEEB C=CC/N=C(\NCCS(C)(=O)=O)N[C@H](C)c1ccccc1Cl 73808187 UEEXXRSKTGVWIY-GFCCVEGCSA-N 343.880 2.167 30 40 EEEB C=CCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 24608091 KMFPATVRPUHLOC-UHFFFAOYSA-N 346.383 2.304 30 40 EEEB CN1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccccc1 189660909 LCHUWWUVQXOPHC-RDJZCZTQSA-N 338.415 2.364 30 40 EEEB C=C1CCN(c2cc(C#N)ccc2S(=O)(=O)NCCOCC)CC1 1615046576 LQULXDDCEQCPMY-UHFFFAOYSA-N 349.456 2.029 30 40 EEEB CC(=O)C1=C(O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 136529035 OACSUKAIVHQATB-BBWFWOEESA-N 333.340 2.439 30 40 EEEB Cn1cc(C[C@H]2CC(=O)N(CC#Cc3ccc(Cl)cc3)C2=O)cn1 101541286 HHAWMQVCPZSWIL-HNNXBMFYSA-N 341.798 2.043 30 40 EEEB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O 2622649 CBYMIVUIECBLIP-SFHVURJKSA-N 342.399 2.243 30 40 EEEB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1cn2ccccc2c1C#N 58355075 IPNIVQHRZLWOFY-HXUWFJFHSA-N 344.418 2.484 30 40 EEEB COC(=O)c1c(C)cccc1S(=O)(=O)N(C)c1cccc(C#N)c1 58313494 GVJZELUZAFZCLB-UHFFFAOYSA-N 344.392 2.478 30 40 EEEB Cc1cc(C)c2c(c1)/C(=N\NC(=S)NC[C@@H]1CCCO1)C(O)=N2 95950629 YKOYSUKCYDKJDN-NSHDSACASA-N 332.429 2.252 30 40 EEEB N#CCCN(CCC#N)C(=O)CN1CCSC[C@H]1c1ccccc1 71909051 ONCPWJDCFLYRKQ-KRWDZBQOSA-N 342.468 2.432 30 40 EEEB Cc1ccc(N2CCCN(C(=O)C3(C#N)CCCCC3)CC2)nn1 69655264 NHUYUMFVEGNMFP-UHFFFAOYSA-N 327.432 2.298 30 40 EEEB C=CCNC(=O)c1ccc(N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)nc1 84597518 MAPSIANZYYTCFJ-ZBFHGGJFSA-N 344.459 2.493 30 40 EEEB C=CCOc1ccccc1CNC(=O)N1CC[C@](O)(C(F)(F)F)C1 75092444 PYWRPGHRWOEZME-OAHLLOKOSA-N 344.333 2.460 30 40 EEEB N#Cc1cccc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)n1 354659758 HRBQDIJMESIGHO-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(CC)cc1 218344790 JPIYBDSJJAMLLX-ZOBUZTSGSA-N 335.425 2.223 30 40 EEEB C=C(Cl)CS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1Cl 195578869 GOXUQXATALAKSD-UHFFFAOYSA-N 325.173 2.420 30 40 EEEB CCOCCN(C)C(=O)NC1CCN(c2ccc(C#N)cc2)CC1 95459215 XCQOFVPBAHSDOY-UHFFFAOYSA-N 330.432 2.205 30 40 EEEB C#CCCCC(=O)N[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 585079429 DMXQYGIUWWFCRT-HXUWFJFHSA-N 342.439 2.114 30 40 EEEB Cc1cc(=O)c(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c[nH]1 79111823 DYHLGOVNAMQBJL-UHFFFAOYSA-N 326.761 2.030 30 40 EEEB N#Cc1cccc(OCCN2CCN(c3cc(C#N)ccn3)CC2)c1 51877615 QPYSUFWOGSSKBW-UHFFFAOYSA-N 333.395 2.026 30 40 EEEB CCN1CCC[C@@H]1CNC(=O)CCCOc1ccc(C#N)cc1OC 32930885 VCRRRQRWAJPWHF-MRXNPFEDSA-N 345.443 2.326 30 40 EEEB CS(=O)(=O)CCNC(=O)Nc1cccc(C#Cc2ccccc2)c1 170666421 WFFMTDREJPYLML-UHFFFAOYSA-N 342.420 2.253 30 40 EEEB C#CCN(CC1CC1)C(=O)c1cncc(I)c1 95441420 WJYJHSCPFVSNQJ-UHFFFAOYSA-N 340.164 2.172 30 40 EEEB C#Cc1cccc(NC(=O)CSCC(=O)Nc2cc(C)on2)c1 12950066 WWGOINFRCIATRC-UHFFFAOYSA-N 329.381 2.275 30 40 EEEB COc1cc(/C=N/CCNS(=O)(=O)c2ccc(C)cc2)ccc1O 4185291 DNUQQMSIHXYCLP-LDADJPATSA-N 348.424 2.107 30 40 EEEB Cc1cccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)c1 6809470 FLHOCDMFAGQAOC-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB C=CCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 9645703 UUPQNNKNGULMOK-UHFFFAOYSA-N 335.454 2.009 30 40 EEEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCOCC3)c(F)c2)nc1 409127895 IAXQUIWDYJUCHV-VXLYETTFSA-N 345.334 2.412 30 40 EEEB N#CCCCS(=O)(=O)NC(=O)C1(Cc2ccccc2Cl)CC1 195574058 GJIWVARAIHSXOK-UHFFFAOYSA-N 340.832 2.412 30 40 EEEB COc1cncc(N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)c1 585132615 FZEUNHILZVMIOW-UHFFFAOYSA-N 339.355 2.197 30 40 EEEB COC(=O)c1ccc(NC(=S)N/N=C/c2cccc(O)c2)cc1 138703 IDTJYSWAEQESBW-LICLKQGHSA-N 329.381 2.499 30 40 EEEB C=C1C[C@@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C]3C(=O)O 1560403710 CZODZVQZDOTCOZ-XVRKMNSOSA-N 331.388 2.094 30 40 EEEB COc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1[N+](=O)[O-] 13125228 YGDSIJNGFLQBME-CQSZACIVSA-N 329.316 2.073 30 40 EEEB Cc1cc(-c2ccc(/C=N/NC(=N)N[N+](=O)[O-])o2)c(C)c([N+](=O)[O-])c1 16267608 PTHIUAGBRDHHKL-FRKPEAEDSA-N 346.303 2.111 30 40 EEEB N#Cc1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 22408668 JZBIJOOBNUNTHL-UHFFFAOYSA-N 341.436 2.065 30 40 EEEB CCCNC(=O)c1c(/N=C/c2ccc(O)c(OCC)c2)cnn1C 2798470 YEOALYXWCQXEJJ-VXLYETTFSA-N 330.388 2.415 30 40 EEEB CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1nncn1C 46962596 WANBKPKDCNVTAE-CYBMUJFWSA-N 326.404 2.370 30 40 EEEB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(C#N)c(N)n2)c1C 3331685 PWWGHXDSWPSAPH-UHFFFAOYSA-N 329.385 2.053 30 40 EEEB N#Cc1cc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)ccc1F 96411843 JSQRRLKHVAURRX-CQSZACIVSA-N 346.406 2.273 30 40 EEEB N#Cc1ccc(NC(=O)CCN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 69586743 PLASZCDYZGUREL-ZFWWWQNUSA-N 341.333 2.274 30 40 EEEB CC[C@H]1S/C(=N\S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O 18098929 PCMNADZKATXNNI-XGOYLDHDSA-N 330.406 2.244 30 40 EEEB C=CCCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F 95978788 GJFUMMNHTYNHTD-UHFFFAOYSA-N 334.800 2.165 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/Cc3ccccc3)C2=O)c1 408526505 CMOMWYWFPLAKST-DDLUMYACSA-N 335.363 2.465 30 40 EEEB C=CCNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2n1C 48344587 SGZCXTMCZMMWAP-UHFFFAOYSA-N 338.820 2.331 30 40 EEEB C[C@H](NC(=O)C#Cc1ccccc1)c1ccccc1NS(C)(=O)=O 80550999 UKRQBFOJUANDAC-AWEZNQCLSA-N 342.420 2.287 30 40 EEEB CCOc1cc(/C=N/NC(N)=S)cc(Br)c1OCC 13747442 UDOBQJLZLNSZJQ-VIZOYTHASA-N 346.250 2.414 30 40 EEEB COc1cccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c1OC 169690780 HGNLXMZZPNMQLU-IEGWYKQMSA-N 340.379 2.235 30 40 EEEB C=CCCC(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440930 WDMBNUBFDQQAEK-NSHDSACASA-N 326.194 2.185 30 40 EEEB N#Cc1ccc(NC(=O)NCCNC(=O)Nc2ccc(C#N)cc2)cc1 78729291 CEKBQMDMACYBQY-UHFFFAOYSA-N 348.366 2.373 30 40 EEEB CCO[C@](O)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(F)(F)F 1856266 VONNDZUFYWLTIP-QMMMGPOBSA-N 337.138 2.088 30 40 EEEB Cc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C#N)c1C 26714817 IPLSPTPCJRPKQY-UHFFFAOYSA-N 339.374 2.067 30 40 EEEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[C@H]2CCCO2)CC1 71851783 KUFNPHONJDGYRG-IAGOWNOFSA-N 331.391 2.104 30 40 EEEB CC(C)CN(CC(=O)N(C)CCC#N)C[C@H](O)c1ccc(F)cc1 70036605 ACMQIUFSIRERPX-KRWDZBQOSA-N 335.423 2.189 30 40 EEEB N#Cc1cc(Br)ccc1N1CCC(N2CCNC2=O)CC1 97083807 RDQISGLXDBRQAS-UHFFFAOYSA-N 349.232 2.315 30 40 EEEB C#Cc1cccc(NC(=O)CNC(=O)c2cccnc2C(F)(F)F)c1 97032161 IQQSFWUTCDUYPA-UHFFFAOYSA-N 347.296 2.450 30 40 EEEB CCc1ccc(C(=O)C2=C3SCCN3C(=O)[C@@H]2CC(=O)O)cc1 62716477 BJFVSIROMMVTKE-GFCCVEGCSA-N 331.393 2.323 30 40 EEEB C=C(C)COCCNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 96474902 FPTRRMARRAEAHD-ZDUSSCGKSA-N 338.839 2.206 30 40 EEEB C=CCOc1ccc(C(=O)N2CC[C@@H]3CN(C)CCO[C@H]3C2)cc1 1565547517 JTAGUSWONFBTOC-AEFFLSMTSA-N 330.428 2.044 30 40 EEEB O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2cccs2)c2ccccc21 316724 OLRYYCSNJGWOSC-LLVKDONJSA-N 349.371 2.290 30 40 EEEB N#CC(C#N)=c1[nH]c2cccc3c2-c2c(cccc2c3=C(C#N)C#N)[nH]1 1618079 NFAOXJNISLKRSW-UHFFFAOYSA-N 332.326 2.150 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2nccs2)CC1 10269778 PIBLEBBGLRYHGS-CYBMUJFWSA-N 342.424 2.131 30 40 EEEB COc1ccccc1C/C(O)=N/S(=O)(=O)c1cccc(C#N)c1 48598270 ZCWQUZBHULMGBO-UHFFFAOYSA-N 330.365 2.455 30 40 EEEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)[C@H]1CC=CCC1 12975060 VBDYIMGFFGOECC-ZDUSSCGKSA-N 347.440 2.452 30 40 EEEB CC/N=C1\S[C@H](C(=O)Nc2ccc(C(=O)O)cc2)CC(=O)N1CC 13685740 QENDNHQQFYSJMC-ICDILTBESA-N 349.412 2.053 30 40 EEEB CC(C)Cn1ccnc1CNS(=O)(=O)Cc1cccc(C#N)c1 95986178 OWGJMVFGIVXDSC-UHFFFAOYSA-N 332.429 2.030 30 40 EEEB CC(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 69435912 ZURFWHPPYCONLW-UHFFFAOYSA-N 340.358 2.190 30 40 EEEB C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnnn1C 71888004 DMMRQHYDOGWWKE-JTQLQIEISA-N 348.457 2.335 30 40 EEEB C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccc(OC)c2F)c1 90549907 RPIRVNDLJOEPGK-UHFFFAOYSA-N 340.354 2.208 30 40 EEEB Cc1nc(S)sc1CC(=O)NCCOc1ccc(C#N)cc1 96426625 WYHTUYVWRJWMML-UHFFFAOYSA-N 333.438 2.350 30 40 EEEB COC(=O)c1ccc(NC(=S)N/N=C/c2ccccc2O)cc1 6027165 JCBHMKXJZCYRPT-LICLKQGHSA-N 329.381 2.499 30 40 EEEB CS(=O)(=O)c1cccc(C(=O)OCc2cc(C#N)ccc2F)c1 11836358 NNIZTDGZQZKJMR-UHFFFAOYSA-N 333.340 2.458 30 40 EEEB COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(C#N)cc2)cc1 21224535 REIUOQFNEIRMAL-UHFFFAOYSA-N 331.349 2.041 30 40 EEEB CCN(CC)C(=O)[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1C#N 32925702 GSLTXINPRAJQMB-LBPRGKRZSA-N 342.399 2.237 30 40 EEEB N#Cc1cccnc1NCCNC(=O)N[C@H]1CCOc2ccccc21 43165559 QDIAQJRFRISQLW-HNNXBMFYSA-N 337.383 2.188 30 40 EEEB C=CCNc1nc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cs1 3508502 HXKCSQKCQMZFKQ-VXGBXAGGSA-N 337.445 2.402 30 40 EEEB CN(C)/C=N/c1c(C#N)cnn1-c1ncnc2sc3c(c12)CCC3 4284168 PDACNBQPPQQYIJ-AWQFTUOYSA-N 337.412 2.459 30 40 EEEB C#CCN(Cc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 65476533 DOPUZSVUBFPQDD-CQSZACIVSA-N 342.258 2.071 30 40 EEEB N#Cc1ccc(OCC(=O)OCC(=O)N2CCc3ccccc32)cc1 5990713 OYTGZPUGDWRSFC-UHFFFAOYSA-N 336.347 2.070 30 40 EEEB CSc1nc2n(n1)[C@@H](c1ccnn1C)C1=C(CC(C)(C)CC1=O)N2 17071888 HTJYUJPMKLFTPQ-ZDUSSCGKSA-N 344.444 2.392 30 40 EEEB C[C@@H](c1nc(C2CC2)no1)N1CCN(C[C@H](C#N)CCC#N)CC1 69485213 FBZHLWWOYXCEJT-KBPBESRZSA-N 328.420 2.069 30 40 EEEB C=CCN/C(=N/CCC)NCc1ccc(CN2CCCC2=O)cc1 73508775 OUIQGHIFTNMRTP-UHFFFAOYSA-N 328.460 2.440 30 40 EEEB Cc1noc([C@@H](C)N2CCN(CCOc3cccc(C#N)c3)CC2)n1 69652472 ZQYKJGLWVCHDEG-CQSZACIVSA-N 341.415 2.007 30 40 EEEB COc1ccc(CN/C(N)=N/C[C@@H](C)CN2CCCCC2)cc1OC 75583777 RMRVQNCLNDQHDL-OAHLLOKOSA-N 348.491 2.230 30 40 EEEB C/N=C(\NCc1ccccc1OC(F)(F)F)NCc1ccnn1C 79344573 XKWRRWXIIUHRSY-UHFFFAOYSA-N 341.337 2.184 30 40 EEEB CCCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C 95902487 QMVLBPYFOBUSDI-UHFFFAOYSA-N 335.452 2.240 30 40 EEEB CCS(=O)(=O)[C@H](CO)/C(=N/O)c1ccc(-c2ccccc2)cc1 96524676 YILKEJCTKBWVJE-JHHGQVAESA-N 333.409 2.328 30 40 EEEB COCCOCc1cc(C#N)ccc1N1CCc2ccnc(O)c2C1 603356977 FNJBGAQQCZQFIG-UHFFFAOYSA-N 339.395 2.385 30 40 EEEB Nc1ccc(S(=O)(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 1595809 WVEMQFVVHNUQTB-PCKQUGLBSA-N 346.368 2.155 30 40 EEEB COC(=O)[C@@H]1CCCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 202757905 BBVVPVVEPHVVBS-CQSZACIVSA-N 345.248 2.375 30 40 EEEB C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(CC[C@@H]1O)[C@H]2[C@H]3C(=O)O 252515388 JKQCGVABHHQYKQ-GANZMPOJSA-N 332.396 2.136 30 40 EEEB endogenous,in-man C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)(CC[C@@H]1O)[C@@H]2[C@H]3C(=O)O 252515389 JKQCGVABHHQYKQ-GJBKUOIGSA-N 332.396 2.136 30 40 EEEB endogenous,in-man N#Cc1cccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 36705925 PGNZHAZSKBKVTE-UHFFFAOYSA-N 345.406 2.393 30 40 EEEB COc1cc(/C=N/N=C(\N)c2ccccn2)cc(Br)c1O 6793251 GLWKIXFVMITXBQ-QGMBQPNBSA-N 349.188 2.298 30 40 EEEB CCc1noc(C)c1C(=O)N1CCCN(c2ncccc2C#N)CC1 56352734 OELIWNMYZCMLGS-UHFFFAOYSA-N 339.399 2.165 30 40 EEEB N#CCCN(Cc1cccnc1)CN1C(=O)NC2(CCCCC2)C1=O 12550796 VMGQUCFDCQSCBW-UHFFFAOYSA-N 341.415 2.009 30 40 EEEB CN(CC(=O)OC1CCCCC1)S(=O)(=O)c1ccccc1C#N 29460856 GNGMDQDMFDKCTP-UHFFFAOYSA-N 336.413 2.055 30 40 EEEB COCCn1c(SCC(=O)NCC#N)nc2cc(Cl)ccc21 65513401 BTSLFFKDEGTTCR-UHFFFAOYSA-N 338.820 2.068 30 40 EEEB CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 97034446 RLSVMWKBTVERIP-CQSZACIVSA-N 343.452 2.458 30 40 EEEB COC(=O)c1ccc(OC)cc1OS(=O)(=O)c1cccc(C#N)c1 16084173 SFLIXOWHWWRWTI-UHFFFAOYSA-N 347.348 2.121 30 40 EEEB CCn1ccnc1CN1CCN(Cc2cn3ccccc3c2C#N)CC1 69416153 GYZCKQQKJRGFBJ-UHFFFAOYSA-N 348.454 2.345 30 40 EEEB CN(CCC#N)C(=O)COC(=O)CNc1cccc(C(F)(F)F)c1 71914217 HAAYUJGXSOXODY-UHFFFAOYSA-N 343.305 2.033 30 40 EEEB C=CCOc1cc(C(=O)NCCN2CCOCC2)cc2occc12 72240247 NURHPDWHOWZPKV-UHFFFAOYSA-N 330.384 2.060 30 40 EEEB N#Cc1ccc(CNC[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 78553709 OPHLZNFFCOSBTP-HXUWFJFHSA-N 349.434 2.290 30 40 EEEB N#CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 82064937 QXQAFIAKTXDYFI-QGZVFWFLSA-N 337.379 2.164 30 40 EEEB CC(C)n1cnc(S(=O)(=O)N2CCCc3cc(C#N)ccc32)c1 585128645 JIJZJJFBALFFKX-UHFFFAOYSA-N 330.413 2.477 30 40 EEEB Cn1ccnc1[C@@H]1OCC[C@H]1CN=c1c(C#N)c[nH]c2ccccc12 596502907 ALSRIAOQENTXRE-SCLBCKFNSA-N 333.395 2.452 30 40 EEEB C=CCOCCCNC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 618515745 GNQUCPWQIISMPT-INIZCTEOSA-N 340.427 2.216 30 40 EEEB CSc1ncc(C#N)c(N2CCC(NC(=O)C(C)(C)C)CC2)n1 2087121006 CLMHPHGKIJGWBK-UHFFFAOYSA-N 333.461 2.201 30 40 EEEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1 100175783 FEIFNQZDWYBITD-GXQJVFRQSA-N 325.324 2.126 30 40 EEEB COCCn1c(C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc2ccccc21 101372431 XJXSPZRALGBDCS-OAHLLOKOSA-N 339.395 2.233 30 40 EEEB N#Cc1cc(NC(=O)C/C=C/C(=O)O)ccc1OCC(F)(F)F 44980449 VUWRGCAZEUQDPT-HNQUOIGGSA-N 328.246 2.469 30 40 EEEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 44973924 GKQJELHJNVWYCA-CQSZACIVSA-N 341.367 2.022 30 40 EEEB C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H](O)c1ccc(F)cc1 95433093 WPBUBCUURJIZMB-SJKOYZFVSA-N 348.399 2.239 30 40 EEEB N#Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 12874796 NHDOYMCGFRAGHI-UHFFFAOYSA-N 335.363 2.283 30 40 EEEB N#CCC[n+]1nn(-c2ccccc2)c(O)c1C(=O)Nc1ccccc1 5274770 XWDNTBPUAHNKMU-UHFFFAOYSA-O 334.359 2.031 30 40 EEEB O/C(=N\c1nc2ncccn2n1)[C@H]1CC(c2cc(F)ccc2F)=NO1 71899756 DYOWTRNHDGYHDC-GFCCVEGCSA-N 344.281 2.184 30 40 EEEB COc1ncccc1C(=O)N1CCN([C@H](C#N)C2CCCCC2)CC1 71817075 XUCCVRIDNMUKNJ-QGZVFWFLSA-N 342.443 2.320 30 40 EEEB N#CCc1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 71847737 ATGNXYTXHQCVBA-GOSISDBHSA-N 333.391 2.284 30 40 EEEB Cc1csc(CCCNc2ccc(S(N)(=O)=O)cc2C#N)n1 84268273 YKRXXFMGIJZRMF-UHFFFAOYSA-N 336.442 2.015 30 40 EEEB Cc1cc2cc(C#N)c(NCCNC(=O)[C@H]3CCCO3)nc2cc1C 35315821 JACNCBWCJMEJLL-QGZVFWFLSA-N 338.411 2.430 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 96410072 FBUNMLOBOLRTPZ-GOSISDBHSA-N 337.427 2.178 30 40 EEEB CCC(CC)(CN/C(=N/C)NCc1nncn1C)c1ccccc1 95406723 PNYWYVHVUJOUIW-UHFFFAOYSA-N 328.464 2.238 30 40 EEEB C=CCn1c2c(ccc1=O)CCN(C(=O)NCc1ccccc1)CC2 96196676 OZHLPZISFIHCLA-UHFFFAOYSA-N 337.423 2.345 30 40 EEEB CO[C@H](C)c1noc(CNC2(c3cccc(C#N)c3)CCOCC2)n1 595764704 LVYKQASWIRUXBM-CYBMUJFWSA-N 342.399 2.444 30 40 EEEB O=S(=O)(/N=C(\O)CC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 48470505 RRLLUHQRLJGCEC-NSHDSACASA-N 341.385 2.062 30 40 EEEB N#Cc1c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)sc2c1CCCC2 60749525 MXSPGXIKWQZIET-JTQLQIEISA-N 329.425 2.448 30 40 EEEB C=C(Br)CNC(=O)Cc1cccc(S(=O)(=O)CC)c1 97141792 IWDYOQJLLBBNQT-UHFFFAOYSA-N 346.246 2.048 30 40 EEEB CC1=C(Br)CN(CC(=O)N(CCC#N)CCC#N)CC1 281101262 MNEYJWIEFYHOBM-UHFFFAOYSA-N 339.237 2.017 30 40 EEEB C=CC/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccc(OC)cc1 5243220 IZTMBCIINDMBSS-GULLIVQYSA-N 332.381 2.374 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@@]2(O)CCCc3sccc32)cc1 1889147621 YICPPKWPSPWNCT-INIZCTEOSA-N 348.449 2.122 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCCc2c(C(N)=O)cccc21 40548653 RMLCIWQOOBCYLE-ZDUSSCGKSA-N 349.390 2.404 30 40 EEEB N#Cc1ccccc1OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 12746070 DLVTVBRWTFULTR-UHFFFAOYSA-N 335.363 2.468 30 40 EEEB C#CCN(Cc1cccc(C)n1)S(=O)(=O)c1sccc1OC 96472770 ZEXLTANPMYWBKI-UHFFFAOYSA-N 336.438 2.284 30 40 EEEB CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1Cl 7781115 SOANJSORLPIWBO-UHFFFAOYSA-N 349.799 2.372 30 40 EEEB N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2CCCCC2)cc1 69521315 MCANDMHTGRYACO-UHFFFAOYSA-N 334.441 2.170 30 40 EEEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1O 409358600 MKHYBSCLJFCCGN-UHFFFAOYSA-N 325.324 2.089 30 40 EEEB CCOC(=O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1 408750587 PCNMHTWFSFOPEY-NVMNQCDNSA-N 344.327 2.378 30 40 EEEB CCN(CC)CC#C[C@@H](C)OC(=O)c1cccc(-n2cncn2)c1 96482980 HEALUOONKAJBGO-OAHLLOKOSA-N 326.400 2.158 30 40 EEEB C=CCn1ncc2c(O)nc(N3CCC[C@H](n4ccnc4C)C3)nc21 1615612177 BRBADKJQNJXMFA-ZDUSSCGKSA-N 339.403 2.064 30 40 EEEB C=C(CN(C)C)C(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 1616037354 JMNZYGAFQKGSFS-LBPRGKRZSA-N 344.381 2.041 30 40 EEEB N#Cc1ccc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)nc1 60526890 ZMMDPEPOHNVCIM-UHFFFAOYSA-N 344.422 2.461 30 40 EEEB N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=O)N3 4784755 QFRCSMYVSDZNDF-SAKMYQHLSA-N 332.363 2.318 30 40 EEEB N#CCCn1ncc2c(Nc3ccc(N4CCCC4)nc3)ncnc21 97200363 UTVJQZXMFACGJW-UHFFFAOYSA-N 334.387 2.479 30 40 EEEB CC[C@@H](C#N)S(=O)(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncccn1 95439677 LKONXBIIFJRICU-GJZGRUSLSA-N 348.403 2.269 30 40 EEEB C/N=C1/S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1C 101532798 LZDYZFSZKTYEOE-HYWUOCGWSA-N 327.749 2.486 30 40 EEEB C[C@](C#N)(NC(=O)COC(=O)Cc1c(F)cccc1Cl)C1CC1 5508444 DOAKWMSHZHQVKA-MRXNPFEDSA-N 338.766 2.373 30 40 EEEB C#Cc1cccc(N(CC(=O)NC2CCN(C(C)=O)CC2)C(C)C)c1 69558741 HRFSJFZUBRPGBD-UHFFFAOYSA-N 341.455 2.010 30 40 EEEB CC(C)n1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1N(C)C 69737685 SYOHHZQFJWEKNM-HNNXBMFYSA-N 338.481 2.072 30 40 EEEB CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1(C(N)=O)CCCC1 72286280 GRABRWOPGWQLDJ-UHFFFAOYSA-N 331.420 2.282 30 40 EEEB C=CCOC[C@H]1CN(Cc2ccncc2)Cc2nnn(CC3CC3)c21 96045637 MHQDKEZHBKLGJQ-QGZVFWFLSA-N 339.443 2.385 30 40 EEEB C#CCCCC(=O)N(c1nc(CC(=O)OC)cs1)N1CCCCC1 585125434 SEWIHKPXFVXGFC-UHFFFAOYSA-N 349.456 2.396 30 40 EEEB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cc(C#N)[nH]c1C 597954922 NSRCGPGRMDBVFI-SUMWQHHRSA-N 341.415 2.309 30 40 EEEB CC(=O)NCc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1 25588837 BGQJXVPSHZDUML-UHFFFAOYSA-N 338.363 2.430 30 40 EEEB CC(=O)NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cccc(O)c1 103851966 AUUYCBIJFKSTEL-UHFFFAOYSA-N 348.362 2.163 30 40 EEEB Cc1nnc(N2CCC[C@H](c3nnc4ccccn34)C2)c(C#N)c1C 24055188 ORXDJLMIBBTJCB-AWEZNQCLSA-N 333.399 2.392 30 40 EEEB COC(=O)C(=NNc1ccc(SC(F)(F)F)cc1)C(=O)OC 1465968 CVBOIECETDAKEU-UHFFFAOYSA-N 336.291 2.412 30 40 EEEB Cc1ccc2[nH]c3c(=O)n(/N=C\c4ccc(O)cc4)c(O)nc3c2c1 53224753 VEHRFXYDVKQKMY-OCKHKDLRSA-N 334.335 2.480 30 40 EEEB COc1cc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc(Cl)c1O 3547018 VHRDNAFMCHWDDT-RDFMZFSFSA-N 336.727 2.282 30 40 EEEB CN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(C#N)cc1Cl 96001943 FXMZDPUCPBDYMH-GFCCVEGCSA-N 328.821 2.401 30 40 EEEB N#Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1Cl 5398075 CTSUEUISQFSDPU-UHFFFAOYSA-N 339.738 2.446 30 40 EEEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccccc3C)c(=O)n2c1 6809473 BHINNGIPXXYEPB-UHFFFAOYSA-N 342.358 2.487 30 40 EEEB CSc1nc2n(n1)[C@@H](c1cnn(C)c1C)C1=C(CCCC1=O)N2 6921773 KSJGDKMFKNLECJ-ZDUSSCGKSA-N 330.417 2.064 30 40 EEEB COc1ccc(CC/C(O)=N/S(=O)(=O)C[C@H]2CCCCO2)cc1 71892469 MQCSDHDUAIVDAN-OAHLLOKOSA-N 341.429 2.483 30 40 EEEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc(F)cc1 69282467 YTHAZDWYYJYQMJ-ZYHUDNBSSA-N 331.365 2.055 30 40 EEEB N#C[C@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1 69580917 ONIGUAOCSWYFEE-HIFRSBDPSA-N 331.803 2.279 30 40 EEEB C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(C)C)c2)CC1 71911726 DNLWMCBMCOWJKL-UHFFFAOYSA-N 344.459 2.262 30 40 EEEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)C(=O)O1 47748890 UCAXITYQETVWCM-FAAWYNLUSA-N 348.738 2.339 30 40 EEEB C=CCOC[C@H]1CN(C(=O)Cc2ccsc2)Cc2nccn2C1 96187854 LYTNAVCMSXFYTH-OAHLLOKOSA-N 331.441 2.348 30 40 EEEB CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cc1ccc(C#N)cc1 598535894 KVVADAXTIJWFLR-GOSISDBHSA-N 341.455 2.203 30 40 EEEB N#CCNC(=O)CN1CCC[C@H]1Cc1ccc(Br)cc1 95394186 QBLPMKYLISDXBS-AWEZNQCLSA-N 336.233 2.096 30 40 EEEB N#CCCN(CCc1ccccn1)CN1C(=O)c2ccccc2C1=O 13281648 UQBLHCYQHGNRNJ-UHFFFAOYSA-N 334.379 2.093 30 40 EEEB CCOC1(NS(=O)(=O)c2ccc(F)cc2)C(C)=CC(=O)C=C1C 16779565 UORHLFIVZMDTTH-UHFFFAOYSA-N 339.388 2.312 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)/C=C/c2ccco2)CC1 40512062 NTMHAHDWGZYJHZ-AATRIKPKSA-N 338.367 2.379 30 40 EEEB C[C@@H](C(=O)N1CCCC1)N1CCCN(c2ccc(C#N)cc2)CC1 52799671 CFQCSWGDTKYTCP-INIZCTEOSA-N 326.444 2.081 30 40 EEEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(F)cc1 102727711 NGRSEHHLFNJPKL-IDTYTIONSA-N 345.326 2.487 30 40 EEEB C=CCC1([C@H](CC(=O)CC)c2ccccc2)C(=O)NC(=O)NC1=O 59369449 KVSVVRONVLHFSR-CQSZACIVSA-N 328.368 2.068 30 40 EEEB CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCN(C)CC1 12793977 GOGPKICZQURWLM-KRWDZBQOSA-N 331.420 2.150 30 40 EEEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1O 5182972 CQCTYPUVMPWCEJ-UHFFFAOYSA-N 334.379 2.304 30 40 EEEB C#CCN(Cc1ccc(C)cc1)C(=O)[C@H](C)Sc1nncn1C 65540625 GWKBMIOZIAUAFL-AWEZNQCLSA-N 328.441 2.266 30 40 EEEB C#CCNC(=O)CC(=O)Nc1nc(C)c(Cc2ccccc2F)s1 97235702 MGNFBLZJIAKWOR-UHFFFAOYSA-N 345.399 2.259 30 40 EEEB Cn1c(Cl)cnc1CN1CC[C@@H](CNc2ccc(C#N)cn2)C1 97200636 XHDHWTIANBPZDF-ZDUSSCGKSA-N 330.823 2.274 30 40 EEEB N#C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)C1CCCCC1 96451399 DQFBWMAEZINKSB-GFCCVEGCSA-N 338.205 2.340 30 40 EEEB N#Cc1ccc(OCC(=O)NCc2ccnc(OCC3CC3)c2)cc1 67333540 DZUOUDOLIICWIC-UHFFFAOYSA-N 337.379 2.437 30 40 EEEB N#Cc1cccc(/C=C/C(=O)Nc2ncc(C(N)=O)cc2Cl)c1 72286435 RSJACECOYDVHMN-SNAWJCMRSA-N 326.743 2.357 30 40 EEEB CN1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](c2ccccc2)C1 36385011 HKAFZJHBXSYNKH-KRWDZBQOSA-N 341.436 2.236 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C=O)[C@@H]2c2ccc3c(c2)OCO3)cc1 218175489 ILELVJOZBHFXDY-WBAXXEDZSA-N 344.388 2.479 30 40 EEEB C#CCOc1c(CCC)cc(/C=C2/NC(=O)NC2=O)cc1OCC 32115792 CDEOWBVUHOQUGW-GXDHUFHOSA-N 328.368 2.230 30 40 EEEB N#CC1(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CC1 1565743260 WNPCJWAUZXHSDP-UHFFFAOYSA-N 332.835 2.024 30 40 EEEB C[C@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)N(C)CCC#N 79030251 IWAJKIQHLOPALN-HNNXBMFYSA-N 342.443 2.372 30 40 EEEB CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)O1 96427977 KUWDMGVAUOUFQR-GWCFXTLKSA-N 328.821 2.400 30 40 EEEB N#CCCN(Cc1ccco1)S(=O)(=O)c1cccc2nsnc12 4363920 HVWKGEASDAPJKF-UHFFFAOYSA-N 348.409 2.389 30 40 EEEB Cc1nc(SCC(=O)N2CCC(C(=O)O)CC2)c(C#N)c(C)c1C 26043876 WZGZAJOIORXZLY-UHFFFAOYSA-N 347.440 2.294 30 40 EEEB N#Cc1c(Cl)nsc1NC[C@@]1(N2CCOCC2)CCSC1 44975873 PVBFCRFWPKLUHV-ZDUSSCGKSA-N 344.893 2.288 30 40 EEEB COC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)c1ccco1 95433327 RECZPQHFTRQGAT-LBPRGKRZSA-N 340.788 2.471 30 40 EEEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)NCc2ccco2)cs1 39577653 IHZJYLCISFUWBG-JTQLQIEISA-N 335.385 2.196 30 40 EEEB C=CCOc1cccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)c1 6943302 RGLKFWDOCOHKNB-SSZXNVRRSA-N 343.448 2.226 30 40 EEEB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(N)=S)cc1 408888111 WWNVDQNHWDALTN-VCHYOVAHSA-N 329.381 2.082 30 40 EEEB CC/N=C(/NCc1cccc(NC(=O)C2CCC2)c1)N1CCOCC1 84668072 LNLGDZKRJZGWEP-UHFFFAOYSA-N 344.459 2.223 30 40 EEEB N#C[C@@]1(CO)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 218407857 ZWSWMGIBNDREMA-ULQDDVLXSA-N 331.368 2.268 30 40 EEEB COc1cc([N+](=O)[O-])cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1O 409070417 ZFZMLANDXYXHQD-VIZOYTHASA-N 333.260 2.058 30 40 EEEB COc1ccc(/C=N\Nc2cc(N3CCOCC3)nc(C)n2)cc1 33906961 OLIPQCAGXAAIOY-PDGQHHTCSA-N 327.388 2.076 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(CC4CCOCC4)C3)C2)n1 96047703 BQLAIDRJUWJSRV-HKUYNNGSSA-N 342.443 2.025 30 40 EEEB CC(=O)N1C[C@@H](Nc2nc(C)cc(C#N)n2)CC[C@@H]1C(F)(F)F 583616856 ZTRGIYVYCSCCKN-CMPLNLGQSA-N 327.310 2.010 30 40 EEEB C=CCCN1CCC(NC(=O)CCNC(=O)OC(C)(C)C)CC1 585083356 UYLCCGGAXBLAMA-UHFFFAOYSA-N 325.453 2.058 30 40 EEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)C4CC(F)C4)C3)CC2=O)cc1 585101629 ZFSPDIXKMBUPFY-ZOJXTTQQSA-N 341.386 2.262 30 40 EEEB CCCN1CCS/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 6788019 KMAIMYGRMWJWMV-PFONDFGASA-N 327.475 2.383 30 40 EEEB Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)c(C#N)c1C 24055638 CHUQYAYBNVWGAI-UHFFFAOYSA-N 335.411 2.364 30 40 EEEB C=CCNC(=O)CSc1nnc2c3cc(C)ccc3n(C)c2n1 4856265 XYOWLHRDSPNWJH-UHFFFAOYSA-N 327.413 2.219 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]([C@H]1CCOC1)N1CCCC1 44976787 DUWSXXOFCGJGPF-SUMWQHHRSA-N 330.388 2.379 30 40 EEEB Cc1occc1C(=O)O/N=C(\N)Cn1nc(C(F)(F)F)cc1C 36612496 IWDGRMLCHAVSPD-UHFFFAOYSA-N 330.266 2.241 30 40 EEEB COC(=O)N(C)C/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1 48408413 ZKJPKEZYWWEIOJ-UHFFFAOYSA-N 336.369 2.183 30 40 EEEB C[C@@H](Oc1ccc(CC(=O)O)cc1)C(=O)NC1(C#N)CCCCC1 13421162 ZCBXFAVNPLSBBG-CYBMUJFWSA-N 330.384 2.424 30 40 EEEB C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 14165064 VOYIRFMQNLPORH-AWEZNQCLSA-N 347.378 2.395 30 40 EEEB C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)N(C)Cc1ccccc1 7046167 FOEMMKQCOZYRGM-LLVKDONJSA-N 327.413 2.070 30 40 EEEB C[C@H](NC(=O)NCc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C 71924625 KFEJHVHKFIEJOM-KGLIPLIRSA-N 328.416 2.147 30 40 EEEB Cc1ccc(NC(=O)COc2ccc(/C=N\n3cnnc3)cc2)cc1 409007590 PNXYBXIZYBPIAU-FBHDLOMBSA-N 335.367 2.486 30 40 EEEB CCc1cc(C(=O)OCC(=O)N(CCC#N)CCC#N)sc1C 23890755 YPBXJMCLMQFCFS-UHFFFAOYSA-N 333.413 2.432 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2nccc3ccccc23)C1 225802118 NAOSVJNFIZUMGQ-AWEZNQCLSA-N 345.362 2.190 30 40 EEEB CN1CCN(C)[C@H](CNc2c(C#N)cnc3ccc(Cl)cc23)C1 96429465 CCSYRSRWDWUZNA-CQSZACIVSA-N 329.835 2.418 30 40 EEEB C=CCNC(=O)c1ccc(N2CCN([C@@H](C)C(F)(F)F)CC2)nc1 96453786 JFGKDRMRSSZJHJ-LBPRGKRZSA-N 342.365 2.070 30 40 EEEB COc1nc(N2CCCCCC2)nc(N2CCC(CC#N)CC2)n1 542864115 IAJRDMBDLFLVLR-UHFFFAOYSA-N 330.436 2.391 30 40 EEEB Cc1nc(C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)no1 69703733 COGFVYPCEGUDDV-UHFFFAOYSA-N 339.399 2.458 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@@H](C#N)C(=O)c2ccco2)nc1 75582304 GTVMUZAOXHVOTK-CYBMUJFWSA-N 347.396 2.195 30 40 EEEB COc1ccc(-n2c(N)c(C#N)c3c(c2=O)CO[C@H](C(C)C)C3)cc1 6760183 GXYMTXSHSMCWJR-KRWDZBQOSA-N 339.395 2.397 30 40 EEEB C[C@@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 95406933 RNOSNRHWMZHNGN-OCCSQVGLSA-N 345.447 2.225 30 40 EEEB N#Cc1ccc(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 12777374 SYYFDNSQDIMNJJ-UHFFFAOYSA-N 335.363 2.468 30 40 EEEB Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(O)cc4)c(=O)[nH]c3c2c1 9171791 VEHRFXYDVKQKMY-DJKKODMXSA-N 334.335 2.067 30 40 EEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccco1 4310916 SSKRIXNULBXLGH-UYTDBDHRSA-N 340.379 2.263 30 40 EEEB Cn1c([C@H](C#N)C(=O)c2n[nH]c(=O)c3ccccc23)nc2ccccc21 6650432 BKTNXPSHGUHDQW-CYBMUJFWSA-N 343.346 2.300 30 40 EEEB Cn1cccc1C(=O)NC1CCN(c2ccc(Cl)c(C#N)n2)CC1 67370982 OSCJJKXXIPEGAJ-UHFFFAOYSA-N 343.818 2.344 30 40 EEEB Cc1nc(CN2CCC[C@@H](N(C)Cc3ccc(F)cc3C#N)C2)no1 71870558 FKUHEHVKNMOCEH-QGZVFWFLSA-N 343.406 2.485 30 40 EEEB Cc1ccc(Cn2nc(C)c(/C=N/N3CCN(C)CC3)c2C)cc1 7930146 PMFJSGUWGLZYNJ-DEDYPNTBSA-N 325.460 2.438 30 40 EEEB C[C@H]1Cc2cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)ccc2O1 190340015 RHCVZNSTDLLZBM-JTQLQIEISA-N 348.346 2.477 30 40 EEEB C=CCO[C@H]1CCN(Cc2cccnc2OC)[C@H]1Cc1cnn(C)c1 96200673 TUOOUDGDLZOOOF-ROUUACIJSA-N 342.443 2.212 30 40 EEEB O=C(/C=C/c1ccco1)NCC#CCOc1ccc2c(c1)OCO2 90610487 KRDOHAJNDJXVIN-SOFGYWHQSA-N 325.320 2.220 30 40 EEEB C=CCN(Cc1cccs1)C(=O)c1cnc2n(c1=O)CCS2 48250124 MPZLRACIAMLXNQ-UHFFFAOYSA-N 333.438 2.239 30 40 EEEB N#Cc1ccc(N2CCCN(C(=O)Nc3nncs3)CC2)cc1 45948653 HYUKKFOXWRFROP-UHFFFAOYSA-N 328.401 2.154 30 40 EEEB CN(CC(=O)OCc1cn2ccccc2c1C#N)C(=O)c1ccco1 83858951 LBNQRLFONLUNGK-UHFFFAOYSA-N 337.335 2.219 30 40 EEEB C=CCS(=O)(=O)N1[C@H]2CC[C@H](C2)[C@H]1COc1cccc(OC)c1 12085286 GDFMOYYTKCYUAD-JKIFEVAISA-N 337.441 2.443 30 40 EEEB C[C@H](Cc1ccsc1)NC(=O)NCCNc1ncccc1C#N 50156682 FWVARVYHWWUEBG-GFCCVEGCSA-N 329.429 2.357 30 40 EEEB N#Cc1ccc(CS(=O)(=O)/N=C(\O)CCc2cscn2)cc1 78701059 HCVZUGGUNDMTGW-UHFFFAOYSA-N 335.410 2.434 30 40 EEEB C[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 97037696 DFOIGDNYLHOROU-CHWSQXEVSA-N 345.447 2.225 30 40 EEEB CN1CCC[C@H]1[C@H]1CCCN1C(=O)COc1ccc(CC#N)cc1 106661805 BKLFRFXIJCIGRT-ZWKOTPCHSA-N 327.428 2.217 30 40 EEEB CN(CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccc(C#N)cn1 57550493 RKPIFOZTOCQPNI-UHFFFAOYSA-N 349.438 2.088 30 40 EEEB N#Cc1c(F)cccc1N1CCC[C@H](C(=O)Nc2nncs2)C1 58341378 GFUNXLWTONRASN-JTQLQIEISA-N 331.376 2.404 30 40 EEEB Cc1c(C(=O)NCCn2ccnc2)oc2c1/C(=N\O)CC(C)(C)C2 100983289 TUVAMOKYACHMPN-NDENLUEZSA-N 330.388 2.365 30 40 EEEB Cc1nc(NS(=O)(=O)c2cccc(C#N)c2)nc2c1CCCC2 97114382 WZKSCXYGBUIVRZ-UHFFFAOYSA-N 328.397 2.336 30 40 EEEB N#Cc1ncn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1C#N 97379909 GRIYWQJGTJSEEE-UHFFFAOYSA-N 327.710 2.048 30 40 EEEB C=C(Br)CNC(=O)Nc1ccccc1SCC(N)=O 49300429 JGQHQNWNIGYVLV-UHFFFAOYSA-N 344.234 2.294 30 40 EEEB Cc1ccccc1[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 66405914 UXRQRPRPYFYBEF-DGCLKSJQSA-N 339.317 2.087 30 40 EEEB CC[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 69444082 BBCMPKABDAZHQR-CQSZACIVSA-N 349.456 2.059 30 40 EEEB CN(C)C(=O)[C@H]1CSCN1C(=O)CCSc1ccc(C#N)cc1 69875759 IOSUSYHDCYRANA-CQSZACIVSA-N 349.481 2.030 30 40 EEEB COC(=O)[C@]1(F)CCN(Cc2ccc(C#N)cc2Br)C1 195552934 OPIYHZSCZSEMFD-AWEZNQCLSA-N 341.180 2.408 30 40 EEEB Cc1cc(S(=O)(=O)CCO)ccc1NCC#Cc1ccc(F)cc1 192476574 NNBAIISTAUKRLL-UHFFFAOYSA-N 347.411 2.364 30 40 EEEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)C#N)cc1 242688557 VSMYOWCNBUPIGG-SQNIBIBYSA-N 326.421 2.410 30 40 EEEB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 10767743 IJXRGSQCBQZOJM-UHFFFAOYSA-N 344.323 2.134 30 40 EEEB C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccn1 40485093 VCUZALHUOSSDDX-AWEZNQCLSA-N 335.411 2.442 30 40 EEEB N#Cc1cccc(/C=C/C(=O)N(CCC(N)=O)Cc2ccccc2)c1 41787387 QTDCCAHSPKUKCY-MDZDMXLPSA-N 333.391 2.476 30 40 EEEB Cn1cc(CC/C(O)=N/S(=O)(=O)Cc2ccccc2Cl)cn1 79052429 WEKWOFDSYXRTBB-UHFFFAOYSA-N 341.820 2.493 30 40 EEEB C=C1c2c(O)c(C)c(O)c(C(C)=O)c2O[C@@]12CC(=O)C(C(=O)O)=C2C 6483536 JNLCDXSLOIQRQR-GOSISDBHSA-N 344.319 2.127 30 40 EEEB Cc1n[nH]c(=S)n(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1=O 6685101 NQMFAYFNCVAKGA-WLRTZDKTSA-N 325.737 2.053 30 40 EEEB N#Cc1ccccc1OCC(=O)OCC(=O)N1CCc2ccccc21 3279251 ZHKFRUQEFUJQOR-UHFFFAOYSA-N 336.347 2.070 30 40 EEEB C=CCNC(=O)CN(CC)CC(=O)Nc1ccccc1C(F)(F)F 3491622 ZFRMNDLJPYBCFM-UHFFFAOYSA-N 343.349 2.268 30 40 EEEB C=CCN1C(=O)C(=O)N(Cc2ccc(F)c(Br)c2)C1=O 48619438 XJDLDFBXXPGXTR-UHFFFAOYSA-N 341.136 2.065 30 40 EEEB N#Cc1cnc2ccccc2c1NCc1cccc(S(N)(=O)=O)c1 91429758 YYUSCZOKVLHGDR-UHFFFAOYSA-N 338.392 2.366 30 40 EEEB COc1cc(NCCCCC/N=C(/N)NC#N)c2ncccc2c1 31637304 UIAZJVPLYYKNQA-UHFFFAOYSA-N 326.404 2.211 30 40 EEEB CC(C)Cn1nc(C/C(O)=N/c2ncn[nH]2)c2ccccc2c1=O 95472853 QSIJOQBWLQNJKV-UHFFFAOYSA-N 326.360 2.001 30 40 EEEB C#C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 583651399 MMLYTIKMADFPEV-QWHCGFSZSA-N 332.350 2.190 30 40 EEEB N#Cc1cc(C(F)(F)F)ccc1N1CCN([C@H]2CCOC2)CC1 96484301 RYLSRBOKOPKREK-AWEZNQCLSA-N 325.334 2.488 30 40 EEEB O=C(N[C@@H](Cc1ccccc1)/C(O)=N/c1ncn[nH]1)c1ccco1 23142545 FAHZVESDVCGCEP-LBPRGKRZSA-N 325.328 2.027 30 40 EEEB CCN(CC(=O)NCCC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 106632239 BSYPXJFJGHGFSR-AEFFLSMTSA-N 328.460 2.174 30 40 EEEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])cc1OC 4047964 BSLDOBOICAXWDF-FRKPEAEDSA-N 347.287 2.361 30 40 EEEB CS[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(CC(=O)O)C(=O)N1C 62716221 FBSTXUVQHPPNCQ-OAHLLOKOSA-N 339.800 2.455 30 40 EEEB C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 96411336 LVVFCECIBYUMAR-QAPCUYQASA-N 327.428 2.190 30 40 EEEB Cn1c(=O)c(/C=N/N=C2\C(=O)Nc3ccccc32)c(O)c2ccccc21 16364009 JELDTCYCPZFEOF-KEBDBYFISA-N 346.346 2.019 30 40 EEEB CC(C)N1C(=O)/C(=N\n2cnc3ccccc3c2=O)c2ccccc21 6327541 GPQXFIUBYPJGRU-FXBPSFAMSA-N 332.363 2.404 30 40 EEEB N#Cc1cccc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183913 CJEMEWMWSBAFRK-ZDUSSCGKSA-N 334.370 2.427 30 40 EEEB CNc1snc(N2CCN(c3ccc(OC)cc3)CC2)c1C#N 1385833 AUEAKVYXNJBTKU-UHFFFAOYSA-N 329.429 2.392 30 40 EEEB CCOCCC/N=C(/NCc1ccco1)NCc1nc(C2CC2)no1 75127722 TWBOKGMOPTUFCE-UHFFFAOYSA-N 347.419 2.202 30 40 EEEB C=CCO[C@H](C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 95418565 QIMIVIIQKOAMID-OAHLLOKOSA-N 332.444 2.421 30 40 EEEB CCOC(=O)c1nnsc1N/N=C/c1ccc(OC)cc1OC 4478294 DRRRVIDSFIHHCF-OVCLIPMQSA-N 336.373 2.178 30 40 EEEB C=CCn1c(Nc2ccc(OC)cc2)nc2c(C)nn(C)c2c1=O 32652640 NJRLGXMYIZKWHG-UHFFFAOYSA-N 325.372 2.377 30 40 EEEB C=CCOC[C@@H]1CN(C(=O)NCc2ccccc2)Cc2nccn2C1 96187859 LBCVTIWLTRXDHB-KRWDZBQOSA-N 340.427 2.427 30 40 EEEB CCOC(=O)C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC 16681943 OBMVWYKGLOJAEB-NTCAYCPXSA-N 340.292 2.218 30 40 EEEB C[C@@H](c1cccnc1)N1C(=O)C[C@@H](N(C)Cc2ccc(C#N)cc2)C1=O 101026193 BCPYPJCFCJSFSD-KBXCAEBGSA-N 348.406 2.274 30 40 EEEB CCN(CCC(=O)N(CC#N)CC#N)[C@H](C)c1cccc(OC)c1 58267201 MJDHXOPDMRUYTB-OAHLLOKOSA-N 328.416 2.344 30 40 EEEB COc1cccc([C@@H]2c3cnn(C(C)C)c3NC(=O)[C@H]2[N+](=O)[O-])c1 100254741 WUZFJKDTBRHJSJ-KGLIPLIRSA-N 330.344 2.202 30 40 EEEB Cc1nn(C)c2sc(C(=O)Nc3nc4n(c3C#N)CCS4)cc12 72287802 BTFNGWAFWPDQQV-UHFFFAOYSA-N 344.425 2.369 30 40 EEEB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1/C=N/Cc1ccccc1 4738567 OZOCNXLLZHWPPF-PZUDMAOCSA-N 339.326 2.296 30 40 EEEB CC(C)(CO)CCCNC(=O)N1CCN(c2ccccc2C#N)CC1 86406652 PDQUDYJZYJZWMS-UHFFFAOYSA-N 344.459 2.189 30 40 EEEB Cc1cc(Br)cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 138931423 XRAWWLSFBXEEFB-UHFFFAOYSA-N 330.145 2.476 30 40 EEEB CCn1ncc(C#N)c1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 192625943 JZEXEFYABMMNGY-UHFFFAOYSA-N 346.412 2.289 30 40 EEEB N#Cc1cccc(CN2Cc3nccn3C[C@@H](CN3CCCC3)C2)c1 96188353 GVYRUYGJCICUNG-IBGZPJMESA-N 335.455 2.483 30 40 EEEB CN1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H]1C(C)(C)C 585127204 SSDHIKYWZGNPOG-MSOLQXFVSA-N 338.455 2.429 30 40 EEEB C#CCOc1cccc([C@H](C)NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 69900425 FBQUWZCJAVZAPJ-ZDUSSCGKSA-N 342.355 2.071 30 40 EEEB COc1ccc(S(=O)(=O)/N=C(\O)c2ccnc(Cl)c2)cc1 54428733 LKWYSARZFNVHPM-UHFFFAOYSA-N 326.761 2.437 30 40 EEEB COc1ccc(OC)c(CN2CCN(C[C@H](C#N)CCC#N)CC2)c1 32679739 WZMAGUWKJVINEB-INIZCTEOSA-N 342.443 2.265 30 40 EEEB CCN1C(=O)/C(=N/NC(=S)NCc2ccccc2)c2ccccc21 109066119 NQBZSHAQXKSFDD-CAPFRKAQSA-N 338.436 2.422 30 40 EEEB N#Cc1cccc(NC(=O)NCCc2noc(-c3ccccn3)n2)c1 69698286 ORHNNWVLUASRSB-UHFFFAOYSA-N 334.339 2.367 30 40 EEEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc(=O)c(C)n[nH]1 17918572 BLNAGFYDIXJQAW-CAOOACKPSA-N 343.778 2.067 30 40 EEEB N#Cc1nccnc1O[C@H]1CCCN(C(=O)NCc2cccs2)C1 225488811 VFSBMSAQVLMXPW-LBPRGKRZSA-N 343.412 2.163 30 40 EEEB CC/N=C(/NCc1nnc2n1CCC2)N1CCC2(CCCCC2)C1 96451311 FSIFAGYNZFCCLX-UHFFFAOYSA-N 330.480 2.346 30 40 EEEB C#CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 583651005 DYYAZZVWYLAVQE-ZDUSSCGKSA-N 332.350 2.190 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(N)C#N)cc1 242495907 GSILCGDVBPSOLJ-GVDBMIGSSA-N 330.384 2.295 30 40 EEEB CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)ccc1O 16675651 NZZIINGTBIMOCT-DWUANCBBSA-N 340.379 2.322 30 40 EEEB Cn1cc([C@H]2CCCN2S(=O)(=O)Cc2cc(C#N)ccc2F)cn1 162170295 ZHIFIHSGIGVBLN-MRXNPFEDSA-N 348.403 2.098 30 40 EEEB N#C[C@@H](C(=O)NC1CC1)C(=O)c1cc(F)cc(Br)c1 103504809 RTWOFQYATIALKH-LLVKDONJSA-N 325.137 2.189 30 40 EEEB N#CC1(C(=O)NCCCS(=O)(=O)Cc2ccccc2)CCCC1 57189781 TYNAIRJTPWBGFB-UHFFFAOYSA-N 334.441 2.192 30 40 EEEB COc1cccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1OC 105410516 HGNLXMZZPNMQLU-DJAUMEQSSA-N 340.379 2.235 30 40 EEEB N#Cc1c(=O)c2c(=O)oc3ccccc3c2n2nc3n(c12)CCCCC3 3202875 ULMZIHCNXLNJGR-UHFFFAOYSA-N 346.346 2.354 30 40 EEEB CC(C)Oc1ccc(C#N)cc1NC(=O)NCCNc1ncccn1 65477574 XFSLBQYCDPXEMO-UHFFFAOYSA-N 340.387 2.369 30 40 EEEB Cc1nc(C)n(C[C@H]2CCCN2CCOc2ccccc2C#N)n1 69519369 GPKLGUBXGLMIBQ-QGZVFWFLSA-N 325.416 2.310 30 40 EEEB CCOCCO[C@@H](C)/C(O)=N/S(=O)(=O)c1cccc(Cl)c1 69971746 VVHXNYZZSAVXDR-JTQLQIEISA-N 335.809 2.427 30 40 EEEB N#Cc1ccccc1CN1Cc2ccnn2C[C@H](CN2CCCC2)C1 306124221 BJSSSRBYBQVKCL-QGZVFWFLSA-N 335.455 2.483 30 40 EEEB N#CCCN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32097128 AEKBAUPFDUUTLU-MRXNPFEDSA-N 346.818 2.478 30 40 EEEB CC(=O)N1CCC(N2CC[C@H](c3nc4ccc(C#N)cc4[nH]3)C2)CC1 35446873 AJWDSNGZBBYLSG-HNNXBMFYSA-N 337.427 2.235 30 40 EEEB biogenic,in-vitro O=S(=O)(/N=C(\O)c1ccsc1)N1CCc2sccc2C1 78556624 XZTNUFXNXLRYGV-UHFFFAOYSA-N 328.440 2.417 30 40 EEEB C=CCN(Cc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(C)cc1 224475102 PYRJRULJHBXACT-UHFFFAOYSA-N 344.436 2.471 30 40 EEEB CC1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCO1 225705746 AGHDXIVFUPGYHV-UHFFFAOYSA-N 348.346 2.377 30 40 EEEB N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccco2)c1 96252445 IIHORSAPWCJGDX-IYBDPMFKSA-N 335.363 2.280 30 40 EEEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1N1CCCN([C@H]2/C(=N/O)[C@H]3CC[C@H]2C3)CC1 257345269 HMXVULFBSXELKF-LLBDVRMQSA-N 346.475 2.252 30 40 EEEB N/C(=N/N=C/c1cn(Cc2ccccc2)c2ccccc12)N[N+](=O)[O-] 5934324 VOOUWMUDRGZZCC-VXLYETTFSA-N 336.355 2.120 30 40 EEEB C=CCn1c(=O)c(C(=O)NCCC)c(O)c2cc(OC)c(OC)cc21 100643319 ZEMCIXXWJJPJDK-UHFFFAOYSA-N 346.383 2.050 30 40 EEEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 4992974 UGVYNNRGBVYINJ-FOWTUZBSSA-N 338.363 2.103 30 40 EEEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc3nccnc3c2)cc1 2408531 WWCLUYJYYQVKKL-YBFXNURJSA-N 326.381 2.251 30 40 EEEB O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCN2)cc1)c1cccs1 12884414 FOLHRNDOTLNUEA-UHFFFAOYSA-N 349.437 2.471 30 40 EEEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(OC)cc2)C(=O)N1CC 13479712 MDFPOSVOUYLSKV-WPCFGXOUSA-N 335.429 2.364 30 40 EEEB N#Cc1cccnc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96004966 JMTSJJMLSDAFMY-MRXNPFEDSA-N 342.424 2.364 30 40 EEEB COCc1cc(C)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1C#N 9235866 QKDSUYSTLCCLSI-UHFFFAOYSA-N 347.321 2.092 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)c1sccc1NS(C)(=O)=O 65564056 DVMKJKJMECWOTJ-UHFFFAOYSA-N 349.437 2.263 30 40 EEEB COc1ccc(COC[C@H](O)CNC(=O)C2(C#N)CCCCC2)cc1 69841871 WZTZUSCXOLKVHW-MRXNPFEDSA-N 346.427 2.163 30 40 EEEB C#C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)[C@@H]1CCCO1 521393992 UUVFSPIBQYZROS-HOCLYGCPSA-N 338.411 2.065 30 40 EEEB CC[C@H](C)CC(=O)O[C@H]1C(=O)C(CO)=C[C@@H](OC(C)=O)[C@H]1C(C)C 35457762 MPXXSICHRNCHHK-KHXXDLOKSA-N 340.416 2.040 30 40 EEEB biogenic,in-vitro C=CCn1c([C@H](CO)NC(=O)c2ccccc2Cl)n[nH]c1=S 85400171 CYJKOTIOBADHCF-NSHDSACASA-N 338.820 2.243 30 40 EEEB N#C[C@H](C(=O)COc1ccc(F)cc1)C(=O)NCc1ccccc1 103503591 OHKSKEUKMGIMGG-MRXNPFEDSA-N 326.327 2.230 30 40 EEEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccc([N+](=O)[O-])cc1 14607492 AIXHLSYXEHXIBR-RFAUZJTJSA-N 325.328 2.454 30 40 EEEB CN(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(C#N)cc2)c1 3555987 JDIKZCQCDHWYOF-UHFFFAOYSA-N 344.392 2.166 30 40 EEEB N#Cc1ccccc1OCC(=O)OCC(=O)NC1CCCCCC1 7006968 WTUDAYPKEGISLD-UHFFFAOYSA-N 330.384 2.319 30 40 EEEB C=CCNc1oc(-c2ccc(S(=O)(=O)N(C)C)cc2)nc1C#N 12421028 UEZGASLWWVELRW-UHFFFAOYSA-N 332.385 2.061 30 40 EEEB Cc1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 40512075 KWTKXSJNWWXSMT-UHFFFAOYSA-N 337.383 2.090 30 40 EEEB Cc1ccc(S(=O)(=O)c2ccc(Cn3cnc(C#N)n3)cc2)cc1 32329567 JQQVNJUVLWKVST-UHFFFAOYSA-N 338.392 2.339 30 40 EEEB N#C[C@H](C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccn1 41480604 ONWLCQVKMGHHMZ-AWEZNQCLSA-N 334.310 2.257 30 40 EEEB CC(C)NC(=O)[C@@H](C#N)C(=O)c1ccn(-c2cccc(Cl)c2)n1 103590671 LXCXWHDDJLRCOM-ZDUSSCGKSA-N 330.775 2.373 30 40 EEEB CCc1nnc(N[C@H]2CCCN(c3cnn(C)c3)C2)c(C#N)c1CC 95412090 YUGUEXPBLAESNE-ZDUSSCGKSA-N 339.447 2.287 30 40 EEEB CN(C)S(=O)(=O)c1ccc(OCCNc2ccc(C#N)cc2)cc1 12563199 WYUHXXFXLOBJNJ-UHFFFAOYSA-N 345.424 2.299 30 40 EEEB C[C@H]1CCc2c(sc(NC(=O)CN3CCOC[C@@H]3C)c2C#N)C1 26451073 BVUVBEGZQGRPAK-RYUDHWBXSA-N 333.457 2.404 30 40 EEEB COc1cc(OCC(=O)Nc2ccccc2C#N)ccc1[N+](=O)[O-] 22259471 NVBDJAMUEYTARP-UHFFFAOYSA-N 327.296 2.493 30 40 EEEB CCOc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1OC 102970765 VJXREUVHQVURMO-QQOXCAACSA-N 330.336 2.322 30 40 EEEB C[C@H]1CN(CCNC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 48342029 JVMNDEYKYHRBAS-TXEJJXNPSA-N 336.823 2.442 30 40 EEEB COc1ccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1 5513608 DTSJKWYDEGLDEB-UHFFFAOYSA-N 329.312 2.275 30 40 EEEB N#Cc1ccccc1COC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 71921402 VQSSAGUXEBQMPU-KRWDZBQOSA-N 348.358 2.120 30 40 EEEB CC1(C)C[C@H](C2(CCC#N)N3CC4(C)CN2CC(C)(C3)C4=O)CCO1 19330049 ZJCXUZCIRCPUPB-QJYZWNGJSA-N 345.487 2.418 30 40 EEEB biogenic Cc1ccn(Cc2nc(COc3ccc(F)cc3)no2)c(=O)c1C#N 97094696 CDDAPBGCQQLBBW-UHFFFAOYSA-N 340.314 2.178 30 40 EEEB C#CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 112254633 RJDQBUWPUXBBEM-FYHYWYESSA-N 343.386 2.416 30 40 EEEB N#Cc1ccc(OC2CN(C(=O)Nc3ccn(CC(F)F)n3)C2)cc1 97142024 RTZJGFSYPHFJDD-UHFFFAOYSA-N 347.325 2.315 30 40 EEEB CCN(CC)CC#C[C@H](C)OC(=O)c1csc(-c2cnn(C)c2)n1 89967907 AINCRFKLCJMXPS-ZDUSSCGKSA-N 346.456 2.434 30 40 EEEB C/N=C(\NCc1cccc(N(C)C)n1)NC[C@H]1CCO[C@H]1C(C)(C)C 96484700 SQCLPYHZKKOXCM-RHSMWYFYSA-N 347.507 2.264 30 40 EEEB CC(C)C[C@@H](C)Oc1cc(CNC(=O)N2CCO[C@H](C#N)C2)ccn1 334017935 GTDWYAMRBBMXIM-GDBMZVCRSA-N 346.431 2.329 30 40 EEEB N#Cc1ccnc(N2CCN(C(=O)NCCc3cccs3)CC2)c1 44908630 SETRTILTNBWTHF-UHFFFAOYSA-N 341.440 2.089 30 40 EEEB CCCCOc1ccc(/C=N/NC2=NC(=O)[C@H](CC(=O)O)S2)cc1 5825200 RVOMZLJKDLSPIS-VZWMTCDZSA-N 349.412 2.262 30 40 EEEB CC(C)(C)c1nn2cnnc2n(/N=C/c2ccccc2Cl)c1=O 93411 YDDJOERWDOOXKY-QGMBQPNBSA-N 330.779 2.119 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)N[C@@H]1COc2ccccc2C1 53044598 QDMAPZGKJZAFSA-HNNXBMFYSA-N 338.363 2.066 30 40 EEEB N#Cc1cccc(OCCN2CCC[C@H]2C(=O)NCC(F)(F)F)c1 54992382 QYIIAKADLXCSBR-AWEZNQCLSA-N 341.333 2.080 30 40 EEEB N#Cc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 52537531 NEWWTUAVLFUDDO-UHFFFAOYSA-N 338.386 2.458 30 40 EEEB COC(=O)c1ccc(/C=N/NC(=S)NCc2ccccc2)cc1 2658401 CZRZOUOHIJXXMN-XDHOZWIPSA-N 327.409 2.471 30 40 EEEB C=C1CCN(C(=O)Cc2c(C)nc3nc(SC)nn3c2C)CC1 65490477 HAJKCOAVQAZNOF-UHFFFAOYSA-N 331.445 2.184 30 40 EEEB O=C1C=C[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]1N2c1ccccc1 4406315 KCUXRZNMROURKA-WZGPROSRSA-N 344.370 2.189 30 40 EEEB COc1ccc(CN/N=C/c2cccc(OCC(=O)O)c2)cc1OC 20196377 FTTHZWFYTYGQIM-VXLYETTFSA-N 344.367 2.291 30 40 EEEB CN1CCN(S(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 69162278 RVJWOKLTKPOWAJ-UHFFFAOYSA-N 327.409 2.199 30 40 EEEB CN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)c1ccc(C#N)cc1 69811663 MXFCGFBBHRCHPX-UHFFFAOYSA-N 343.333 2.225 30 40 EEEB N#Cc1c[nH]c(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)c1 88347749 KMGQBOKNYKKNJX-UHFFFAOYSA-N 336.326 2.488 30 40 EEEB C=CCN/C(=N/[C@@H](C)[C@@H]1CCCO1)NC[C@H](O)c1ccc(OC)cc1 75583365 BHVMGCNTLWECGK-WBAXXEDZSA-N 347.459 2.017 30 40 EEEB N#Cc1ccc(O[C@@H]2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)nc1 306123875 AZGJEDIAHJSWBB-QGZVFWFLSA-N 349.394 2.050 30 40 EEEB N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccc(Cl)s2)C1 225800824 DRPPWEMQQSLBNV-VIFPVBQESA-N 334.788 2.357 30 40 EEEB CC1(C)OB(c2c(Br)ccc3c2OCO3)OC1(C)C 642814800 XTPUSDMNTHXJAW-UHFFFAOYSA-N 326.983 2.477 30 40 EEEB Cc1cc(CNC(=O)C#C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)no1 585140696 JCKCPVDFPRHIFE-CQSZACIVSA-N 347.415 2.250 30 40 EEEB CC(=O)N1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc21 78970158 MHZCJWDHIMFDNN-IBGZPJMESA-N 342.443 2.304 30 40 EEEB C[C@H](Cc1ccccc1)N1C=C(NC(=O)N=C2C=CC(=O)C=C2)ON1 200239732 KITIAKQQLWGTBF-CYBMUJFWSA-N 338.367 2.014 30 40 EEEB in-vitro Cc1cccc2c(=O)n(CC(=O)OCc3ccc(C#N)cc3)cnc12 18397377 TXSRWKJCHJQVGL-UHFFFAOYSA-N 333.347 2.320 30 40 EEEB N#CCCN(CCC#N)C(=O)C1CCN(C(=O)c2cccs2)CC1 20612671 PJJCMCXGZIJNKF-UHFFFAOYSA-N 344.440 2.256 30 40 EEEB N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N 100429250 ATRCOXJEJQSVCM-UHFFFAOYSA-N 327.347 2.049 30 40 EEEB COc1cc([N+](=O)[O-])cc(/C=N/Nc2ccccc2C(=O)O)c1O 35240400 HKBHTRGHZLSZSR-LZYBPNLTSA-N 331.284 2.453 30 40 EEEB CN1C(=O)C[C@H](COC(=O)c2cc(C#N)cn2C)[C@@H]1c1cccs1 95409374 SRCSFBXBTDSQRU-MLGOLLRUSA-N 343.408 2.335 30 40 EEEB CCCN1CNC(=Nc2nc(C)c3cccc(OCC)c3n2)NC1 20634388 QICSSYIPLKCLSV-UHFFFAOYSA-N 328.420 2.144 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/Cc1ccccc1 4739255 XQNAIJIZNCCIAI-UZUMKDMXSA-N 337.404 2.322 30 40 EEEB C=CCNC(=O)c1ccc(N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)nc1 84597520 MAPSIANZYYTCFJ-GDBMZVCRSA-N 344.459 2.493 30 40 EEEB Cc1nc(CN2CCCN(Cc3cc(C#N)ccc3F)CC2)no1 75603166 QQUBONZGAKWIIB-UHFFFAOYSA-N 329.379 2.097 30 40 EEEB C=CCNC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 22689214 UANCPUNURNCSNY-KRWDZBQOSA-N 346.452 2.445 30 40 EEEB C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)O 504320728 XNZSRYSTBKQWGZ-PEIUPEMUSA-N 348.439 2.305 30 40 EEEB CNC(=O)[C@H](C#N)C(=O)c1cc(C)c(Br)c(Cl)c1 225470011 WLPOQDQJPZDQAG-MRVPVSSYSA-N 329.581 2.479 30 40 EEEB C[C@@H](C#N)CNc1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl 611616633 BNKBILCGIZIUSW-VIFPVBQESA-N 328.763 2.334 30 40 EEEB Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 16740102 RKQGXJCGKVMTGI-WOJGMQOQSA-N 335.323 2.404 30 40 EEEB N#Cc1cccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 5699910 BMHLVZXSYZPXFH-UHFFFAOYSA-N 339.370 2.425 30 40 EEEB C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccc(C#N)cc1 26127133 WAQIISDQRLUUQD-LLVKDONJSA-N 335.363 2.257 30 40 EEEB CN(C)c1ccc(/C=N\N/C(S)=N/[C@@H]2CN3CCC2CC3)cc1 56683661 LSIKPZPOJVHLHG-CJMVGXJBSA-N 331.489 2.056 30 40 EEEB Cc1ccccc1N/N=C1/C(=O)N(C(N)=S)N=C1c1ccccc1 100530522 AFPBCLINQKEIJG-HMMYKYKNSA-N 337.408 2.253 30 40 EEEB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C#N)cc1F 10810331 UNFQFGUXQMYEQW-NSHDSACASA-N 345.399 2.296 30 40 EEEB CN/C(=N\C[C@H](c1cccc(OC)c1)N(C)C)NCc1ccco1 103337612 SPANGSLNQJRKMS-QGZVFWFLSA-N 330.432 2.256 30 40 EEEB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 3285594 UXWRQRZHAFYQBG-UHFFFAOYSA-N 344.392 2.166 30 40 EEEB COc1ccc(NC(=O)C(C(C)=O)=C2SC(C(=O)O)S2)cc1 62716056 NIPFFKJJEOXZTA-UHFFFAOYSA-N 339.394 2.325 30 40 EEEB COc1ccc(/C(C)=N/Nc2nc(SCC#N)n[nH]2)c(OC)c1 20608316 IDJUFFVJVXWFCY-RQZCQDPDSA-N 332.389 2.274 30 40 EEEB Cc1ccc(S(=O)(=O)N(C)c2cccc(C#N)c2)cc1C(=O)O 63346547 QMGCPJHDZQJDQP-UHFFFAOYSA-N 330.365 2.390 30 40 EEEB COc1ccc(CN2C[C@H](C(=O)[C@@H](C#N)c3ccccn3)CC2=O)cc1 71855181 RZCGJGSWAUVXJY-WBVHZDCISA-N 349.390 2.315 30 40 EEEB O=C(C#Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 81627117 KELSKKPOXIQYKT-IBGZPJMESA-N 332.403 2.044 30 40 EEEB C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCN(Cc2ccco2)CC1 71825464 AEEJUDOGPWCUAM-OAHLLOKOSA-N 339.395 2.263 30 40 EEEB Cc1nc([C@@H]2CCCN(C(=O)COc3ccccc3C#N)C2)no1 72232018 KERLYGHHXBINPB-CQSZACIVSA-N 326.356 2.035 30 40 EEEB N#Cc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(F)c1 409211654 NMZCTBMDGJIKNO-UHFFFAOYSA-N 343.270 2.401 30 40 EEEB C#CCOc1ccc(Cl)cc1/C=C1\SC(NC(C)=O)=NC1=O 409024333 JVBAGYMWOQGLSJ-JYRVWZFOSA-N 334.784 2.458 30 40 EEEB C=CCNC(=O)NC(=O)CN[C@H](C)c1cccc(Br)c1 96490944 SVCWVNSIFAKFBL-SNVBAGLBSA-N 340.221 2.112 30 40 EEEB CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1C#N 26830758 MLEQCINZNQRHQF-UHFFFAOYSA-N 331.353 2.287 30 40 EEEB Cc1nc(CN2CCCN(c3ncc(C#N)cc3F)CC2)oc1C 591144721 PLIADKAUSAOTHO-UHFFFAOYSA-N 329.379 2.410 30 40 EEEB N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 35469750 ICMONTIHXSPLQB-CYBMUJFWSA-N 325.328 2.403 30 40 EEEB N#C[C@H]1C(=O)NC(=O)[C@@H](C#N)C12c1ccccc1Oc1ccccc12 18140659 LQKWFEKGXUJKQU-OKILXGFUSA-N 329.315 2.014 30 40 EEEB N#Cc1cc(N2CCOC[C@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] 167154875 VNWOKVTXYZVCOU-GDBMZVCRSA-N 343.339 2.388 30 40 EEEB CCc1ncnc(N2C[C@@H]3CN(c4cnccc4C#N)C[C@H]3C2)c1F 1888856492 DWZZZEOJWRNDOQ-KBPBESRZSA-N 338.390 2.017 30 40 EEEB Cc1nc(C(=O)[C@@H](C#N)C(=O)NC(C)C)nn1-c1ccccc1Cl 103707955 ZJKSXUYDBWGSRN-LLVKDONJSA-N 345.790 2.076 30 40 EEEB CCc1cc2c(N(C)CCCc3n[nH]c(N)c3C#N)ncnc2s1 24059487 SUFJNMHWHLCPLB-UHFFFAOYSA-N 341.444 2.500 30 40 EEEB CC(=O)N[C@H](C)c1ccc(S(=O)(=O)OCC(F)(F)F)s1 58140655 VODADXPEXUNQOI-ZCFIWIBFSA-N 331.337 2.213 30 40 EEEB C=CC/N=C(\NCc1cccnc1)NC[C@H]1COc2ccccc2O1 73713437 MCEUUHIBGCABGP-INIZCTEOSA-N 338.411 2.143 30 40 EEEB N#C[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc(Cl)c(Cl)c1 68457511 SAFBSWYVDGGOOW-CABZTGNLSA-N 326.183 2.200 30 40 EEEB CCCn1c(=O)n(C)c(=O)c2c(SCCC#N)nc(C(C)C)nc21 7783506 BYEPERMNOCUYIR-UHFFFAOYSA-N 347.444 2.029 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1C1OCCO1 69484418 SFLMSGUAAZNRSG-DZGCQCFKSA-N 330.384 2.080 30 40 EEEB Cc1cccc([C@H]2C[C@H]2C(=O)NS(=O)(=O)c2ccc(C#N)cc2)c1 69570297 YUFANVGBOBJBOX-IAGOWNOFSA-N 340.404 2.475 30 40 EEEB CCCOc1cc(C)ccc1CN/C(=N/C)NCc1cnn(C)c1 97021913 ITYLDMLPWZFGIA-UHFFFAOYSA-N 329.448 2.383 30 40 EEEB CCc1ncc(/C(O)=N/S(=O)(=O)N2CCc3ccccc32)s1 89295971 LWUCPYCSVFVBPB-UHFFFAOYSA-N 337.426 2.318 30 40 EEEB N#Cc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2CO)c(F)c1 95417158 PRWUFOPIIABZPH-GOSISDBHSA-N 339.370 2.499 30 40 EEEB N#CCC[C@H](C#N)CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 96435846 ITNQCZQCYVWRSJ-MRXNPFEDSA-N 344.846 2.470 30 40 EEEB CN1/C(=C\C(=O)COC(=O)c2ccnn2C)C(C)(C)c2ccccc21 64882999 FPUWLEXJIHSMTG-BOPFTXTBSA-N 339.395 2.458 30 40 EEEB C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[C@H](C(=O)N(C)C[C@@H](C)C#N)C1 58365396 BIJYPQSNWDQUBN-GEEKYZPCSA-N 332.448 2.029 30 40 EEEB C=C(C)CN(C)C(=O)CNC(=O)c1ccc(Br)cc1 155640158 FQTQGQBUCOMDNS-UHFFFAOYSA-N 325.206 2.213 30 40 EEEB Cn1c(/C=N/N=c2/sc3ccccc3n2C)[n+](C)c2ccccc21 5161547 PUEFDVQYBUEFGQ-UHFFFAOYSA-N 336.444 2.491 30 40 EEEB O=C(CCC1=CCN(c2cc(Nc3nccs3)ncn2)CC1)NO 643550872 QRZFSJDLMTXPJY-UHFFFAOYSA-N 346.416 2.099 30 40 EEEB COc1ccc(/C=C/C(=O)C(C(N)=O)=C2SCS2)c(OC)c1 51329737 MHAGNUMRXXKBOE-GQCTYLIASA-N 337.422 2.421 30 40 EEEB O=C1C[C@@H](C(=O)Nc2ccccc2)SC(N/N=C/c2ccco2)=N1 507201 PVQSWVJASJUFDE-VZWMTCDZSA-N 342.380 2.230 30 40 EEEB Cc1nc(NC(=O)[C@H]2Cc3ccccc3O2)n(-c2ccc(C#N)cc2)n1 72292772 FFGHNSOHTLOISE-QGZVFWFLSA-N 345.362 2.390 30 40 EEEB C#CC(CC)(CC)NC(=O)CN1CCN(c2ccccc2F)CC1 57347512 KCGSQAKEPIGXPD-UHFFFAOYSA-N 331.435 2.256 30 40 EEEB CS(=O)(=O)c1cccc(/C(O)=N/c2nc(-c3ccco3)n[nH]2)c1 12846279 IJTTYSCLLPSZRL-UHFFFAOYSA-N 332.341 2.105 30 40 EEEB CC[C@H](CNC(=O)c1cccc(C#N)c1)NC(=O)c1cccc(C#N)c1 65609464 TVHWBOAYUCVLAC-GOSISDBHSA-N 346.390 2.368 30 40 EEEB N#CC1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCOCC1 96406423 UAYBDRPMNHIJQD-QGZVFWFLSA-N 327.428 2.088 30 40 EEEB O=C1CSCN1C/C(O)=N/c1nc(-c2ccc3c(c2)CCC3)n[nH]1 71890890 RYGZANCYTLTFHW-UHFFFAOYSA-N 343.412 2.081 30 40 EEEB COc1ccccc1CN/C(N)=N/Cc1c(C)cc(C)nc1OC 70015319 AQKDFZGVOXRALA-UHFFFAOYSA-N 328.416 2.320 30 40 EEEB CS(=O)(=O)c1cc2c(nc1O)CC/C(=C\c1ccsc1)C2=O 71916331 SUEHCFOOKWYIEY-UXBLZVDNSA-N 335.406 2.465 30 40 EEEB N#Cc1ccc(OCC(=O)N2CCC(Nc3cccnc3)CC2)cc1 69382226 IDNGZKCAYNITTG-UHFFFAOYSA-N 336.395 2.435 30 40 EEEB CN1CCCC[C@H]1CN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 69704501 OLJACPPUEOVMDU-INIZCTEOSA-N 343.431 2.073 30 40 EEEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(C)c1 409135933 WPTCJZUNVGHPGX-HNNXBMFYSA-N 343.379 2.468 30 40 EEEB C=C(C)COc1ccc2c(C)c(CC(=O)N[C@@H](C)CO)c(=O)oc2c1 8764697 UPJQGTKEDFWMRY-LBPRGKRZSA-N 345.395 2.096 30 40 EEEB biogenic C=CCNC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 95929294 YSLLMIGIPFSWNW-SFHVURJKSA-N 348.406 2.312 30 40 EEEB C[C@@H]1C[C@@H]1Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1C#N 95417560 ZNJRORCTFRBGCD-PELKAZGASA-N 333.335 2.219 30 40 EEEB CC(C)(C#N)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 76019160 QXQRBSSLYFNEPU-UHFFFAOYSA-N 333.407 2.335 30 40 EEEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(N2CCOCC2)cc1 3260582 HDMFMTYOLXWQCM-KGENOOAVSA-N 348.406 2.424 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccccn2)nc1 6408023 HCSQDYHSZIQUSD-CPNJWEJPSA-N 347.444 2.343 30 40 EEEB CNC(=O)N(O)[C@H]1N(/N=C/c2ccco2)C(=S)SC1(C)C 60620 LLUWLPIEHXDRJH-CULDGANSSA-N 328.419 2.083 30 40 EEEB Cc1nc(-c2ccc(OCC(=O)NC3(C#N)CCCC3)cc2)no1 40505102 ZENBJJPYGUVWOU-UHFFFAOYSA-N 326.356 2.376 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 24021165 QYBPUIRZGRVHTO-LLVKDONJSA-N 349.346 2.190 30 40 EEEB COc1ccc(N(C)S(=O)(=O)c2ccc(C#N)cc2)cc1OC 58316406 KUKWUIJMKQERQD-UHFFFAOYSA-N 332.381 2.401 30 40 EEEB N#Cc1ccccc1OCCN1CCN(C(=O)Cc2ccccc2)CC1 58438573 SSOCNAFYCRZGMX-UHFFFAOYSA-N 349.434 2.324 30 40 EEEB CCOC(=O)c1cc(C#N)c(S[C@@H]2CCCCNC2=O)nc1C 10673301 HZYLCWCWSNWIPI-CYBMUJFWSA-N 333.413 2.199 30 40 EEEB N#CCCCn1cnc2ccc(I)cc2c1=O 89807303 DKJIOSPKUDAJGV-UHFFFAOYSA-N 339.136 2.305 30 40 EEEB N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 71851782 KUFNPHONJDGYRG-IRXDYDNUSA-N 331.391 2.104 30 40 EEEB C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc(C#N)n1 71888010 WYQYMEZKEVSGQP-LLVKDONJSA-N 326.385 2.183 30 40 EEEB CCOC(=O)c1cc(C#N)c(=O)n2c1N(Cc1ccccc1F)CC2 72333524 JJBSMVNKMIQOCL-UHFFFAOYSA-N 341.342 2.056 30 40 EEEB N#Cc1ccc(OC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 97219622 GMAYASMYKBFRTR-OAHLLOKOSA-N 338.363 2.262 30 40 EEEB CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccccc2C(C)(C)C#N)C1 591647578 SJMZEOWYEHZPNF-FQEVSTJZSA-N 343.471 2.293 30 40 EEEB Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/Cc3ccco3)C2=O)cc1 5646471 GLZIJFVZHAIFHW-XKYMITNMSA-N 325.324 2.058 30 40 EEEB COc1cc(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)ncn1 1888859287 IMFBBQYMDARNTD-UHFFFAOYSA-N 337.383 2.074 30 40 EEEB C=CCN1C(=O)N[C@@H]2c3cccc(OCC)c3O[C@]1(C)[C@@H]2C(=O)OC 101239098 YGPQEPIZTCXYKS-PMUMKWKESA-N 346.383 2.235 30 40 EEEB N#CCc1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3303199 KLRZLQDGRNPBNV-UHFFFAOYSA-N 338.319 2.277 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)OCC)cc1 3496449 AYBQPXGIXHMLEC-JXMROGBWSA-N 333.340 2.081 30 40 EEEB C/C(=N/NC(N)=S)C(=S)Nc1ccc(Br)cc1 68572207 KNUZFJSZYVRVBV-NSIKDUERSA-N 331.264 2.398 30 40 EEEB N#CC1(NC(=O)CN2CCC[C@H]2CC(=O)c2ccco2)CCCC1 84429338 BUMYWWZXPQGJHV-AWEZNQCLSA-N 329.400 2.269 30 40 EEEB N#Cc1cccc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 84539006 DNJPJFPTOWEYCP-PMACEKPBSA-N 347.418 2.284 30 40 EEEB C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)NCC)C=C1C 30881390 GUKKXMLZFYHOPF-ULQDDVLXSA-N 333.476 2.300 30 40 EEEB biogenic,in-vitro CS[C@@H]1C(C(=O)c2ccncc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716469 JMSLOQCVXDFLAG-QGZVFWFLSA-N 348.424 2.223 30 40 EEEB O=c1onc(-c2ncccn2)n1CC#Cc1ccc(C(F)(F)F)cc1 85251369 GEFGVUHIJLZNMI-UHFFFAOYSA-N 346.268 2.364 30 40 EEEB N#Cc1ccc2nc(CO[C@H]3CN(C4CCOCC4)C[C@H]3F)[nH]c2c1 96112288 ANHAAGFWRVPBII-PBHICJAKSA-N 344.390 2.152 30 40 EEEB biogenic,in-vitro N#CC1(OCCS(=O)(=O)N[C@@H](Cc2ccccc2)C2CC2)CCC1 1615615598 YXHJINCYKIOJQZ-KRWDZBQOSA-N 348.468 2.390 30 40 EEEB C#CCN(CC#C)C(=O)c1cn(-c2ccc(Br)cc2)cn1 95439624 AJXRYHUYDXKAJO-UHFFFAOYSA-N 342.196 2.343 30 40 EEEB COc1cccc(C(=O)/C=C2/NC[C@@H]3c4ccccc4CCN3C2=O)c1 34510 KSQXACRXHIZPML-TVNWYLLRSA-N 348.402 2.491 30 40 EEEB Cc1c(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(C#N)n1C 47924363 CZJIABPIJAKGLU-NVNXTCNLSA-N 336.307 2.458 30 40 EEEB CC/N=C1/S[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)CC(=O)N1CC 100593549 QENDNHQQFYSJMC-QIVXWBPLSA-N 349.412 2.053 30 40 EEEB CN(C(=O)COC(=O)COc1ccc(C#N)cc1)C1CCCCC1 3316264 KXELPMKYSAOWES-UHFFFAOYSA-N 330.384 2.271 30 40 EEEB COCCN1C(=O)CS/C1=N\c1ccn(Cc2ccc(F)cc2)n1 101584513 HCNCJLTZKVTQEB-VLGSPTGOSA-N 348.403 2.280 30 40 EEEB CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 63346552 LTDAIRQNSSPTHQ-UHFFFAOYSA-N 344.392 2.401 30 40 EEEB C[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 67470275 SIHATIYRLQPNJB-AWEZNQCLSA-N 327.432 2.364 30 40 EEEB N#Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 7726758 RCXCJPMXPIQVEK-UHFFFAOYSA-N 341.392 2.486 30 40 EEEB COCCOCC(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 72011989 XCLKOGYBQSQOKH-UHFFFAOYSA-N 330.306 2.112 30 40 EEEB N#Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 38907377 KOWVVEIISQDFOQ-UHFFFAOYSA-N 345.406 2.393 30 40 EEEB C=CCNC(=O)NC(=O)CN[C@@H](C)c1cccc(Br)c1 96490942 SVCWVNSIFAKFBL-JTQLQIEISA-N 340.221 2.112 30 40 EEEB CC(C)NS(=O)(=O)c1cccc(CNc2ncccc2C#N)c1 26707999 OPYMQEADMAXYOW-UHFFFAOYSA-N 330.413 2.252 30 40 EEEB C[S@](=O)c1ccc(CNC(=O)NCC#Cc2ccccc2)cc1 80064007 BREPGVWVTJLBLB-HSZRJFAPSA-N 326.421 2.275 30 40 EEEB N#Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24573808 XPFPWCQPCADDCE-IBGZPJMESA-N 335.407 2.362 30 40 EEEB C=CCNC(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775973358 GWJFFVPITXLENB-UHFFFAOYSA-N 341.390 2.299 30 40 EEEB C#CCOc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OC 12419218 UDVLKJNJJVBBQX-SNVBAGLBSA-N 329.381 2.220 30 40 EEEB CN(C)[C@@H](CNC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 25605713 PGVZSFKHIKEBNK-QUCCMNQESA-N 339.439 2.190 30 40 EEEB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C#N)cc2)c1 7050583 DUIHFJRGJAFKFI-UHFFFAOYSA-N 330.365 2.454 30 40 EEEB COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCCN(C(C)C)C1 58208866 WJEDXUWRIQMOFP-INIZCTEOSA-N 345.443 2.182 30 40 EEEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)c1 58328981 IKANMRUQPCLFIZ-UHFFFAOYSA-N 343.364 2.316 30 40 EEEB N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[C@@H]2CCCO2)CC1 71851781 KUFNPHONJDGYRG-DLBZAZTESA-N 331.391 2.104 30 40 EEEB N#CCN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 69433854 BIRFIQGDPHPOQD-UHFFFAOYSA-N 325.166 2.003 30 40 EEEB CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)C2CCC2)nc1 69869436 KWZFJSOPZATVRC-AWEZNQCLSA-N 335.429 2.088 30 40 EEEB C[C@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)N(C)CCC#N 69948675 WNZPADVBAUFVLX-LLVKDONJSA-N 349.378 2.316 30 40 EEEB C/C=C/C[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 225711541 MPHTZNHKWFZHBA-VUDBWIFFSA-N 348.346 2.182 30 40 EEEB Cc1c(C(=O)[C@@H](C#N)C(=O)NC(C)C)nnn1-c1cccc(Cl)c1 103590695 UZDRWRZGKFVMOT-CYBMUJFWSA-N 345.790 2.076 30 40 EEEB N#CCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)c1ccccc1 23107684 JHENKLQGYRWTNQ-UHFFFAOYSA-N 335.285 2.424 30 40 EEEB CCO[C@H]1C[C@H](N/C(=N/C)NCc2noc(C)n2)C12CCCCC2 97014070 DLVZRNJMOFWTCD-KBPBESRZSA-N 335.452 2.171 30 40 EEEB O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C2\CCc3ccccc32)c1 5603635 POOBOAJJJMBGKY-FOCLMDBBSA-N 331.353 2.224 30 40 EEEB CCN(CC#N)C(=O)c1cc(Br)c2c(c1)OCCO2 69456335 BECYIQGPGDRXMV-UHFFFAOYSA-N 325.162 2.206 30 40 EEEB CN1CCN([C@H](C(=O)NCc2cccc(C#N)c2)c2ccccc2)CC1 69698445 HYAJIONQPGZEDA-FQEVSTJZSA-N 348.450 2.163 30 40 EEEB N#Cc1ccc(C(F)(F)F)c(NCC2(C(N)=O)CCOCC2)c1 97163579 BJHFMGKBXBKEHD-UHFFFAOYSA-N 327.306 2.271 30 40 EEEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1ccccc1[N+](=O)[O-] 22608011 JUHZVQBDDYNJDR-RFAUZJTJSA-N 325.328 2.454 30 40 EEEB O=C(O)Cn1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c2ccccc21 409067725 POBUBOJVZLJXIP-QGMBQPNBSA-N 339.311 2.475 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(C#N)cc3)C2=O)c1 408528222 UMMSNUVLXPJSNN-INIZCTEOSA-N 346.346 2.468 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccc(C#N)cc2)C1 89223503 QDQDIFAJLHFBPN-AWEZNQCLSA-N 336.413 2.341 30 40 EEEB CC(=O)N[C@]1(c2nc(C)no2)CCN(c2ccc(C#N)c(Cl)c2)C1 591608837 NUSKWIHMRIJLSX-MRXNPFEDSA-N 345.790 2.145 30 40 EEEB C#CCCC1(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)O)cn2)N=N1 1616032912 XPFNHBGRJGUIDS-ZDUSSCGKSA-N 341.371 2.194 30 40 EEEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1CC 13151270 ORCGPFDYBFATGA-WPCFGXOUSA-N 349.412 2.084 30 40 EEEB COc1cccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c1OC 169690781 HGNLXMZZPNMQLU-MPBOUCTCSA-N 340.379 2.235 30 40 EEEB O=C1C[C@H](/C(O)=N/S(=O)(=O)c2ccccc2)CN1C1CCCC1 48404989 WZFGLZLGWARSKJ-LBPRGKRZSA-N 336.413 2.123 30 40 EEEB Cc1ccc(C(=O)NCCNC(=O)c2ccc(C#N)cc2)cc1F 13012494 UGMYWJMSCLSAMA-UHFFFAOYSA-N 325.343 2.166 30 40 EEEB CS(=O)(=O)Cc1ccc(C(=O)OCc2ccccc2C#N)cc1 7019783 KXHWUSGLYUJJGY-UHFFFAOYSA-N 329.377 2.460 30 40 EEEB CCc1oc2ccccc2c1/C=c1\sc(=C(C#N)C#N)n(CC)c1=O 7748463 KDPSKVCOQHPRLF-MFOYZWKCSA-N 349.415 2.265 30 40 EEEB Cc1ccccc1S(=O)(=O)/N=C(\O)[C@H](C)OC[C@H]1CCCO1 69282363 JFTIEHKUWKRGMK-QWHCGFSZSA-N 327.402 2.224 30 40 EEEB C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8217499 DQBQNXAMJDWUGO-AWEZNQCLSA-N 344.411 2.257 30 40 EEEB C[C@H](OCC1CC1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 69616059 DIYSXWQLASWVNY-ZDUSSCGKSA-N 331.391 2.161 30 40 EEEB O=C(C#Cc1ccccc1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 89313737 FOWQNJBNNKQYKH-IBGZPJMESA-N 332.403 2.203 30 40 EEEB CC/N=C1\S/C(=C\c2cc([N+](=O)[O-])c(O)cc2O)C(=O)N1CC 408845669 HBSKUOHZDIMEQA-YREVGTFCSA-N 337.357 2.318 30 40 EEEB Cc1ccc(C#N)cc1NC(=O)N1CCN(C[C@H]2CCCO2)CC1 78550172 DCOWBEPIWDSKNT-MRXNPFEDSA-N 328.416 2.195 30 40 EEEB CC[C@@H](C)CS(=O)(=O)/N=C(\O)c1cccc2c1O[C@H](C)C(=O)N2 79029178 XWNHITPJTLFRRQ-NXEZZACHSA-N 340.401 2.087 30 40 EEEB COCCN(Cc1ccc(C#N)cc1)[C@H]1CCCN(C(C)C)C1=O 192558555 HOXZSLOCJFZHOZ-SFHVURJKSA-N 329.444 2.406 30 40 EEEB C=CCN1C(=O)/C(=C/c2c(C)n(C)c3ccccc23)C(=O)NC1=S 225815453 ZQLSUHFDLGPGDY-GXDHUFHOSA-N 339.420 2.299 30 40 EEEB CCc1noc([C@H](C)N2CCN(Cc3ccccc3C#N)CC2)n1 69421266 ZNEJAOMCKOKBQM-AWEZNQCLSA-N 325.416 2.382 30 40 EEEB C[C@]1(c2ccccn2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 69630149 MAJGKFBLTFRTEJ-LJQANCHMSA-N 345.362 2.173 30 40 EEEB Cc1nc(CN2C[C@@H]3CN(c4ncccc4C#N)C[C@H]3C2)cs1 2086934474 RWPBTTKKNXWBRU-HUUCEWRRSA-N 325.441 2.286 30 40 EEEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3F)[C@]12C#N 100157778 JLVQOIUVWRBVHK-IMJJTQAJSA-N 328.347 2.040 30 40 EEEB C=CCNc1nnc(SCC(=O)Nc2nnc(C(C)C)o2)s1 32831919 KEZLPLIPRYWLDW-UHFFFAOYSA-N 340.434 2.373 30 40 EEEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)C1=NO[C@H](c2ccccc2)C1 104055537 CEQIFSRTPJYEOJ-HIFRSBDPSA-N 334.335 2.247 30 40 EEEB COc1cccc(NC(=O)C(=NO)C(=O)Nc2cccc(OC)c2)c1 1410194 YVCIXAHCFMASSG-UHFFFAOYSA-N 343.339 2.111 30 40 EEEB CCOC(=O)C1=C(Nc2ccc(Br)cc2)OCC1=O 1617126 GUZAEXKIKUZYTO-UHFFFAOYSA-N 326.146 2.235 30 40 EEEB N#Cc1c(Cl)nsc1N1CCC(C(=O)Nc2ncccn2)CC1 58369083 IQFGMSFYSLWTPT-UHFFFAOYSA-N 348.819 2.313 30 40 EEEB N#Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1Cl 3441742 GZBDGXJTWWJVAH-UHFFFAOYSA-N 348.819 2.125 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC1CCC(O)CC1 13000665 CXFMDRTYTPNEDH-WXRRBKDZSA-N 340.383 2.125 30 40 EEEB C[C@H](/C=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 5020813 DVYBWIRCAMAWKJ-JDAJCMJVSA-N 348.384 2.444 30 40 EEEB C=C1CCN(C(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)CC1 65490020 UUFUWYLMBQPSTR-UHFFFAOYSA-N 333.432 2.056 30 40 EEEB CCn1nnnc1-c1cccc(NC(=O)CNc2ccc(C#N)cc2)c1 71915551 YJMRBRJIANJZCB-UHFFFAOYSA-N 347.382 2.282 30 40 EEEB N#Cc1ccsc1NC(=O)Cn1cnc2cc(F)ccc2c1=O 16698962 CNGHACKZTHGCES-UHFFFAOYSA-N 328.328 2.107 30 40 EEEB CCOC(=O)c1cnn([C@H]2CCCN(c3cccc(C#N)n3)C2)c1 97032686 MYVNFBUBTOQCHR-HNNXBMFYSA-N 325.372 2.168 30 40 EEEB C=C(C)CN(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2 97083334 UUDXQEAAGRSXHZ-UHFFFAOYSA-N 339.189 2.428 30 40 EEEB CC[C@@H](CO)N1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 72306190 UVMAWQBDTAEMNU-HNNXBMFYSA-N 347.463 2.035 30 40 EEEB CCCn1c(C)nnc1COC(=O)[C@H](C)Oc1ccccc1C#N 95447829 ZTXREMQWAPFGBH-LBPRGKRZSA-N 328.372 2.379 30 40 EEEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 218568311 OUMAVHIWOYLFNU-YESZJQIVSA-N 329.352 2.474 30 40 EEEB C[C@@H]1Oc2c(cccc2C(=O)[C@@H](C#N)c2ccc(F)cn2)NC1=O 80436325 FBNBTRYCMNSSQR-CABZTGNLSA-N 325.299 2.430 30 40 EEEB COC[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(C)=CCC[C@@]1(C)O[C@@H]21 1534691065 PLORWQGZQGHMBG-ICELYOSQSA-N 338.400 2.010 30 40 EEEB C=CCN1C(=O)[C@H](CC)S/C1=N/S(=O)(=O)c1cccs1 4538116 FVPGUXKGRQWVHQ-XRNDOFNESA-N 330.456 2.333 30 40 EEEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCOc2ccccc2)C1=O 58180914 DQPOAOXEIMZNBR-IBGZPJMESA-N 335.363 2.404 30 40 EEEB N#CCCn1ncc2c(NCc3ccc(N4CCCC4)nc3)ncnc21 97199850 DZQJSUUSCCMDOU-UHFFFAOYSA-N 348.414 2.347 30 40 EEEB C=CC[C@@H]1N(c2ccc(OC)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 4028759 WSHQZPHRZYRCMK-NTODXPRQSA-N 341.363 2.011 30 40 EEEB biogenic CC(=O)Nc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 13692044 POIKKHGOGLMXRI-UHFFFAOYSA-N 342.424 2.435 30 40 EEEB CO[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 96428734 GSVHMZHZWDUQQB-QGZVFWFLSA-N 330.409 2.365 30 40 EEEB N#Cc1ccc(N2CCN(CCOC[C@H]3CCCO3)CC2)c(F)c1 96421103 KWEOPOQWGJVEMW-MRXNPFEDSA-N 333.407 2.015 30 40 EEEB COc1ccccc1[C@H](C#N)NC(=O)c1cccc2c1oc(=O)n2C 95453910 MGKLEULAAQUOFT-ZDUSSCGKSA-N 337.335 2.135 30 40 EEEB C#CCCN1CCC(NC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 89261557 SIYRUHOMVAJKCC-UHFFFAOYSA-N 348.834 2.048 30 40 EEEB CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(CC#N)cc2)c1 89323060 OEOVGZKNVSROGI-UHFFFAOYSA-N 340.408 2.491 30 40 EEEB C[C@H](NCC(=O)N(C)Cc1cc(C#N)ccc1F)[C@H](C)n1cccn1 75133878 RALFOSCMPPBWSZ-KBPBESRZSA-N 343.406 2.092 30 40 EEEB C#CCOc1cc(F)ccc1NC(=O)c1n[nH]c(=O)c2ccccc12 75146403 KKITWUXRPDAZIJ-UHFFFAOYSA-N 337.310 2.327 30 40 EEEB N#CCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O 49964128 FIWIPPBZODBBGS-UHFFFAOYSA-N 340.360 2.324 30 40 EEEB CC1(C)OB(c2ccc(OC(F)(F)F)c3c2CC(=O)N3)OC1(C)C 199560545 NXCOQVOAXZZGIT-UHFFFAOYSA-N 343.110 2.379 30 40 EEEB N#Cc1ccc(CCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 594881902 LLEGNXBAMATFJP-FQEVSTJZSA-N 347.374 2.331 30 40 EEEB Cc1noc([C@H]2CN(C(=O)c3cccc(CC#N)c3)C[C@@H](C)O2)n1 600384543 UNYKXDNRSLIFIX-IAQYHMDHSA-N 326.356 2.046 30 40 EEEB CCCCCCCC(=O)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 101245960 PCRQVRBKWPPWRE-MRXNPFEDSA-N 344.521 2.115 30 40 EEEB CC[C@@H](CN/C(=N/C)NCc1ccnn1C)Oc1cccc(F)c1 95975027 GJXHHUFJGSOWCI-HNNXBMFYSA-N 333.411 2.082 30 40 EEEB C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1=O 12136873 DNABLONTCYBMCV-LBPRGKRZSA-N 349.368 2.482 30 40 EEEB O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(\O)COC1CCCC1 48423416 GBFGVLUBZNDLCE-UHFFFAOYSA-N 328.346 2.199 30 40 EEEB C[C@H](Cc1cccc(F)c1)/C(O)=N/S(=O)(=O)c1cnn(C)c1 69284409 RHHDUEBCYDJHCZ-SNVBAGLBSA-N 325.365 2.083 30 40 EEEB Cc1cc(C)c(C#N)c(NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1 91481220 LWKCHAUCBKMGKS-AWEZNQCLSA-N 326.375 2.465 30 40 EEEB C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 69415912 PXVZWYFQYAVARV-BRWVUGGUSA-N 333.453 2.300 30 40 EEEB CCOC(=O)/C(=N/Nc1nc(=O)[nH]c2ccccc12)c1cccs1 96936001 RNSSMQBCDDSDIU-CPNJWEJPSA-N 342.380 2.364 30 40 EEEB COc1ccc(F)cc1CN1CCN(c2ncccc2C#N)CC1 8924313 QWLVSQNSEPZUFC-UHFFFAOYSA-N 326.375 2.423 30 40 EEEB Cc1csc(N2CCCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)n1 95414849 QQZLNXMZLOMMRH-UHFFFAOYSA-N 344.400 2.343 30 40 EEEB COc1cc(CCNC(=O)c2cc(C#N)cn2C)ccc1OC(F)F 95409101 MCTKRJNVJXUJDP-UHFFFAOYSA-N 349.337 2.479 30 40 EEEB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)OCC[C@@H]1CCCCN1)C(=O)C2 85224725 AQLSUPYXLHXAKQ-JKIFEVAISA-N 343.489 2.260 30 40 EEEB N/C(=N/Cc1ccnc(OC2CCOCC2)c1)N1CCCCCC1 195539992 QHLCHJUALYWIQY-UHFFFAOYSA-N 332.448 2.330 30 40 EEEB N#CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1 224914326 APBBAPOAYUIMLR-UHFFFAOYSA-N 348.355 2.172 30 40 EEEB Cn1cc(S(=O)(=O)/N=C(\O)CCc2cc(Cl)cs2)cn1 96413644 PBEBFPIMNAVYDC-UHFFFAOYSA-N 333.822 2.413 30 40 EEEB C=CC/N=C(\NCCOC)NCc1ccc(C(=O)NCCCC)cc1 75582980 UVVNBRGTXKOMPM-UHFFFAOYSA-N 346.475 2.084 30 40 EEEB COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(OC)c1OC 62465 QXDDXRUPJCLRPF-VXLYETTFSA-N 340.335 2.343 30 40 EEEB CCCOc1ccc(/C=N/n2c(=S)[nH]nc(C)c2=O)cc1OC 100650247 HLKPEJZRCUUVLB-CXUHLZMHSA-N 334.401 2.289 30 40 EEEB C=CCN(C(=O)c1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 40556333 ZZDKUEJZEBIFHE-KRWDZBQOSA-N 333.453 2.381 30 40 EEEB CN(Cc1ccccc1C#N)S(=O)(=O)c1ccc2c(c1)OCCO2 21282568 NJYVHIJSUTYJFY-UHFFFAOYSA-N 344.392 2.150 30 40 EEEB Cc1nnc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)c(C#N)c1C 52245857 KWAUHFHOZPANBL-LBPRGKRZSA-N 338.415 2.197 30 40 EEEB O=C(ON1C(=O)CCC1=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 72400664 INRPFQHJCXWTGK-UHFFFAOYSA-N 327.218 2.088 30 40 EEEB in-vitro CSc1nc(N(C)/N=C(\C)c2cccc([N+](=O)[O-])c2)cc(=O)n1C 4722597 FJLAHXYGLWHKOC-LICLKQGHSA-N 347.400 2.271 30 40 EEEB CCS(=O)(=O)c1cccc(C(=O)NCC#Cc2ccccc2)c1 95977415 WZPPYJUTLZQGDU-UHFFFAOYSA-N 327.405 2.262 30 40 EEEB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(C#N)c1 58358045 SUWLWYAMNWQTBB-SFHVURJKSA-N 328.460 2.046 30 40 EEEB C=CCNC(=S)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 5638994 MYJHIANZSOCWJQ-GZTJUZNOSA-N 329.385 2.370 30 40 EEEB Cn1ncc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C#N)CCCC2 6827392 LYUAXWIHHIACHD-UHFFFAOYSA-N 331.357 2.393 30 40 EEEB N#CC1(NC(=O)c2ccc(Br)c(F)c2)CCOCC1 96406426 SEGCELQXGPEGPG-UHFFFAOYSA-N 327.153 2.391 30 40 EEEB CC(=O)Nc1cc(F)c(F)cc1NCC(=O)N[C@](C)(C#N)C(C)C 69420565 VSFFDULDINYBRX-MRXNPFEDSA-N 338.358 2.390 30 40 EEEB CN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1C#N 71905317 OSGAVIWFJIDGAG-UHFFFAOYSA-N 335.816 2.470 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@H](Cc1ccc(F)cc1)C(N)=O 69738685 AADRIROCAIIWTH-ZDUSSCGKSA-N 342.330 2.362 30 40 EEEB CCc1nn(CCOc2ccccc2[N+](=O)[O-])c(=O)c(C#N)c1CC 78603741 ZPTZFUHRPTUZOP-UHFFFAOYSA-N 342.355 2.227 30 40 EEEB N#Cc1nccnc1O[C@@H]1CCCN(C(=O)/C=C/c2cccs2)C1 225480377 XFGAONMOGGJROJ-URWSZGRFSA-N 340.408 2.493 30 40 EEEB CN(CCN1CCOCC1)C(O)=Nc1ncc(C(C)(C)C)s1 331252567 QLBWXSDRSIVDCT-UHFFFAOYSA-N 326.466 2.250 30 40 EEEB C=CCOC[C@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1 96189042 APJZDAAHZQRHKG-HNNXBMFYSA-N 331.441 2.348 30 40 EEEB Cc1nc(C)n(C[C@@H]2CCCN2CCOc2ccccc2C#N)n1 69519366 GPKLGUBXGLMIBQ-KRWDZBQOSA-N 325.416 2.310 30 40 EEEB CN(Cc1cccc(C#N)c1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O 58430843 FZCBIRUNBVUDFL-UHFFFAOYSA-N 338.411 2.058 30 40 EEEB CC/N=C(\NCC)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 66243297 HKTFKFQPYXEVOP-HOTGVXAUSA-N 332.492 2.371 30 40 EEEB C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 14165061 VOYIRFMQNLPORH-CQSZACIVSA-N 347.378 2.395 30 40 EEEB C#CCNS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 14202405 WYBUSSJHZNCORD-UHFFFAOYSA-N 328.393 2.224 30 40 EEEB N#Cc1cccc(COC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 71921406 HFWSCTMYVRJBTL-KRWDZBQOSA-N 348.358 2.120 30 40 EEEB C#CCn1cc(CNC(=O)Cc2c[nH]c3cccc(OCC)c23)cn1 521394212 KFRZHPTYLIFKOS-UHFFFAOYSA-N 336.395 2.255 30 40 EEEB C=CCNS(=O)(=O)c1ccc(N[C@@H](C)CCC)c(C(=O)O)c1 217570354 IOWMZQLPPNULKO-NSHDSACASA-N 326.418 2.450 30 40 EEEB Cc1cc2c(N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nccn2n1 225492386 FRCXGVLKNHLRCD-INIZCTEOSA-N 346.394 2.122 30 40 EEEB CC(C)CO[C@@H]1[C@H]2CC[C@H]1N(S(=O)(=O)c1ccc(C#N)cc1)C2 248158074 JPVTZBXGWUGGSC-USXIJHARSA-N 334.441 2.382 30 40 EEEB COC(=O)[C@H](CCOc1ccccc1C#N)NC(=O)OC(C)(C)C 1615611169 UKVLMBFHNCOBCX-ZDUSSCGKSA-N 334.372 2.393 30 40 EEEB C=CCN1C(=O)[C@H](CCOC(C)=O)S/C1=N/c1nccs1 12438385 KZXQHJLAZVYAHM-FIKMJJSBSA-N 325.415 2.214 30 40 EEEB Cc1nn(-c2ccccc2)cc1/C=N/NS(=O)(=O)c1ccccc1 3195471 UQERDBAONIEDPX-LDADJPATSA-N 340.408 2.493 30 40 EEEB CCS(=O)(=O)NCCCNc1ccc(Br)cc1C#N 96008439 VOCQWDPFEYMJKK-UHFFFAOYSA-N 346.250 2.062 30 40 EEEB C#CCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 58268573 HPPRQCYWFZQYTQ-UHFFFAOYSA-N 345.200 2.270 30 40 EEEB COc1ccc(/C=N\NC(=N)N/N=C\c2ccc(OC)cc2)cc1 104392301 DCTPWFFEWAUYCX-YZLQMOBTSA-N 325.372 2.186 30 40 EEEB N#Cc1ccc(N2CCN(CC(=O)N3CCCCCC3)CC2)c(F)c1 63508268 RYURJEWVCVECFD-UHFFFAOYSA-N 344.434 2.222 30 40 EEEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC1CCC(C)CC1 408708687 KWAAHEFGEPPEJO-UHFFFAOYSA-N 343.427 2.236 30 40 EEEB C=CCN1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@H]21 9306514 NBJYMRWDIZKRDC-UONOGXRCSA-N 340.445 2.082 30 40 EEEB N#Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Cl 69370811 DBWDUBSUKGLVPI-HZPDHXFCSA-N 348.834 2.275 30 40 EEEB CC(C)(C)OC(=O)NCCC(=O)N(CCC#N)Cc1cccnc1 69322646 XFIYLCPAXALNPD-UHFFFAOYSA-N 332.404 2.239 30 40 EEEB O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)n1nnnc1N2 18195993 CKVDUPFQWSLZQV-CYBMUJFWSA-N 346.188 2.458 30 40 EEEB Cc1cc(C)c2ncc(C#N)c(N3CCS(=O)(=O)[C@H](C)C3)c2c1 97142338 OBVJHCCSPKCKJY-CYBMUJFWSA-N 329.425 2.347 30 40 EEEB CC(C)N1C(=O)C(=O)N(CC#Cc2ccc(C(F)(F)F)cc2)C1=O 85249477 PGAYAVVPNOSVTH-UHFFFAOYSA-N 338.285 2.256 30 40 EEEB CC(C)c1n[nH]c(/N=C(\O)[C@@H]2CN(Cc3ccccc3)CCO2)n1 96420750 QJDXDNJVGWDLAD-AWEZNQCLSA-N 329.404 2.417 30 40 EEEB COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H](C)[C@@H](N(C)C)C1 76051005 UZNXZRJAASQFRA-HOCLYGCPSA-N 345.443 2.134 30 40 EEEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccco1 104229392 NGTCDAQWFICEJY-MRPLLJTBSA-N 346.408 2.324 30 40 EEEB N#CCOc1ccc2[nH]cc([C@@H](C(=O)O)N3CCSCC3)c2c1 40268208 YWYUPWTXPZXZPF-HNNXBMFYSA-N 331.397 2.245 30 40 EEEB CCN(CC(=O)NCCC#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 63510805 BSYPXJFJGHGFSR-FUHWJXTLSA-N 328.460 2.174 30 40 EEEB C#CCOc1cc([C@H]2CC(=O)Nc3nc(N)sc32)ccc1OC 15107529 XAALLJKFFZJMMW-SNVBAGLBSA-N 329.381 2.220 30 40 EEEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(O)cc1 4964007 IBMROUYMHXHHPC-LFIBNONCSA-N 349.368 2.311 30 40 EEEB C=C(C)COc1cccc(NC(=O)NCC2CCN(CCO)CC2)c1 71898341 OVRYPMSBYJRBJL-UHFFFAOYSA-N 347.459 2.467 30 40 EEEB Cc1ccccc1OCc1nc(C#N)c(NCCN2CCOCC2)o1 19938318 TYSHPYKUYXODRJ-UHFFFAOYSA-N 342.399 2.178 30 40 EEEB NC(=S)N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 408761475 DYHABSPQTPVICI-GIJQJNRQSA-N 325.397 2.309 30 40 EEEB C/N=C(/NCc1noc(C)n1)NCC1(Sc2ccccc2)CC1 88469290 UPXXXIMPHCGMQI-UHFFFAOYSA-N 331.445 2.368 30 40 EEEB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cc(C#N)n(C)c1C 89948825 YCMKXNIEDSFDSM-KDOFPFPSSA-N 328.460 2.332 30 40 EEEB CC1(C)OB(c2ccc(CN3CCOCC3)cc2Cl)OC1(C)C 642814141 GIXNQANQVZBSQH-UHFFFAOYSA-N 337.656 2.471 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N(C)Cc1ccc(OC)c(F)c1 88923575 MVAZXQCOCLALAW-UHFFFAOYSA-N 335.383 2.123 30 40 EEEB N#CCCN1CCN(C2=NC(=O)/C(=C\c3ccccc3)S2)CC1 20057790 JZSCMVUIJWLLTO-FYWRMAATSA-N 326.425 2.188 30 40 EEEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1OC 67009 MNBRPDIOSLUATF-MRXNPFEDSA-N 326.356 2.317 30 40 EEEB COCCNC[C@H](O)CON=C1c2ccccc2-c2ccccc21 2707496 LGUIHZSWDZEVEN-AWEZNQCLSA-N 326.396 2.033 30 40 EEEB N#Cc1ccc(NC(=O)COCC(=O)Nc2ccc(F)cc2)cc1 4699621 BJKZHFLIOATVMR-UHFFFAOYSA-N 327.315 2.291 30 40 EEEB C[C@@]1([N+](=O)[O-])C(=O)[C@@]2(N3CCOCC3)CCC[C@H]2[C@H]1c1ccccc1 6442210 ONQNHBXJKYZNBG-OGWHTMIXSA-N 344.411 2.259 30 40 EEEB N#Cc1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(F)c1 10619878 PODRORPWHUZYRJ-UHFFFAOYSA-N 325.255 2.402 30 40 EEEB C=CCSc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1 12975434 XGJWYGFKJSQMJZ-UHFFFAOYSA-N 345.413 2.044 30 40 EEEB C=C(Br)CNC(=O)NC[C@H]1COc2ccccc2O1 49286914 FKKJYCYPOYSAAC-JTQLQIEISA-N 327.178 2.034 30 40 EEEB CN(C(=O)CN1CCCC[C@H]1Cn1cccn1)C1(C#N)CCCCC1 69947572 PTEYRDNUZRMQHQ-KRWDZBQOSA-N 343.475 2.422 30 40 EEEB C#CCN(C[C@@H]1CCCO1)C(=O)NCCCN(C)c1cccc(F)c1 72268238 CRMUKLCEROVYAZ-SFHVURJKSA-N 347.434 2.476 30 40 EEEB C=C(Br)CN(C)CC(=O)Nc1cccc(NC(C)=O)c1 95431543 YXTZEJQCRDAGEF-UHFFFAOYSA-N 340.221 2.424 30 40 EEEB CS[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(C#N)ccc1F 95980837 QNGVRTIQRMZHHU-KBPBESRZSA-N 328.434 2.401 30 40 EEEB O=S(=O)(CC1CCC1)/N=C(\O)c1cnc([C@@H]2CCCO2)s1 89986940 ZUNASXYAZIUDBP-JTQLQIEISA-N 330.431 2.429 30 40 EEEB C[C@H]1C[C@@H]1C(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1 89920429 RMLHQJLNMIRZPX-YJBOKZPZSA-N 327.428 2.127 30 40 EEEB C=C1CC[C@H]2[C@@H](/C=C(/C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@@H]1O)C2(C)C 252499628 SDBITTRHSROXCY-ORCCYPRRSA-N 334.456 2.233 30 40 EEEB biogenic,in-vitro C=C(Br)CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 89905287 NCJVWHOVGNLPHQ-SNVBAGLBSA-N 333.251 2.235 30 40 EEEB Cc1ccc(C#N)c(SCC(=O)N2CC(=O)Nc3ccccc32)n1 16291419 DLJJFKFQAUNHME-UHFFFAOYSA-N 338.392 2.339 30 40 EEEB C=CCNC(=O)Cn1c(CO)cnc1SCc1ccc(F)cc1 9827537 DSBSFJHWPFNAHL-UHFFFAOYSA-N 335.404 2.109 30 40 EEEB C=CCn1c(SCC(=O)N[C@H]2CCSC2=O)nc2ccccc21 173318765 REAKBEQYSGRVLJ-LBPRGKRZSA-N 347.465 2.463 30 40 EEEB Cn1cccc1C(=O)NC1CCN(c2ccc(F)cc2C#N)CC1 95403153 CJMJZFSBRAQHDX-UHFFFAOYSA-N 326.375 2.435 30 40 EEEB N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1N 65575725 UWBBMFJFDWCWGC-UHFFFAOYSA-N 335.342 2.395 30 40 EEEB C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(CO)CC2)CC(C)(C)C1 22872265 ICRJMXAQCCNBSP-OWCLPIDISA-N 330.538 2.084 30 40 EEEB Cn1cc(C#N)cc1C(=O)N1Cc2ccccc2[C@H](n2cccn2)C1 81547241 QYKPOMUPECWNRV-GOSISDBHSA-N 331.379 2.339 30 40 EEEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)C#N)cc1 218456724 VSMYOWCNBUPIGG-RCCFBDPRSA-N 326.421 2.410 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ccccc2C#N)C1 199557702 MMTYLZQASTUIRB-ZDUSSCGKSA-N 336.413 2.341 30 40 EEEB C=C(C)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(C)C)C1 1615587626 ODRQXSSMEFZZKC-OAHLLOKOSA-N 328.420 2.172 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cccn2)nc1 55103651 TXZAGXZADMUUJP-CQSZACIVSA-N 347.378 2.223 30 40 EEEB N#CC1(NC(=O)CN2CCOC[C@@H]2c2ccccc2)CCCCC1 76118901 SIZKLIHBPIQSPI-QGZVFWFLSA-N 327.428 2.403 30 40 EEEB COc1ccccc1OCCOc1ccc(/C=N\NC(N)=S)cc1 31948656 MZOARDOIZGWBDZ-UNOMPAQXSA-N 345.424 2.320 30 40 EEEB N#CCCCN1CCN(C(=O)c2ccc(Br)o2)CC1 51825055 HCIDWHVDNDFGIU-UHFFFAOYSA-N 326.194 2.104 30 40 EEEB N#Cc1cccc(OC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 12941171 YLWJESJTNVLBCM-UHFFFAOYSA-N 331.331 2.434 30 40 EEEB COC(=O)[C@@H](NCC(=O)NC1(C#N)CCCCCC1)c1ccccc1 68454362 IGYNYISDQOUAJI-KRWDZBQOSA-N 343.427 2.223 30 40 EEEB CCOC(=O)N1CCC(N/C(N)=N/CCc2ccccc2C)CC1 69701462 IXYSLZLADKIQKW-UHFFFAOYSA-N 332.448 2.063 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1ccc2c(c1)OCO2 18196170 PSNOTQHXRYMXSP-HNNXBMFYSA-N 339.355 2.060 30 40 EEEB C/N=C(/NCc1cnn(C)c1)NCc1ccc(C)cc1OCC1CC1 97021805 DRVDFEZURUMHSC-UHFFFAOYSA-N 341.459 2.383 30 40 EEEB CCOc1nnc(CN2CC[C@H](CNc3ncccc3C#N)C2)s1 65517669 WNKFVIFRSUSQFW-GFCCVEGCSA-N 344.444 2.137 30 40 EEEB COc1cc(/C=N/N=C(N)N)ccc1OC(=O)c1ccc(Cl)cc1 41224100 SYPMLGDPVFOITG-AWQFTUOYSA-N 346.774 2.175 30 40 EEEB Cn1cc([C@](C)(O)CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 96421844 FROHMGVFPXOIRL-GOSISDBHSA-N 341.415 2.250 30 40 EEEB CC(C)Nc1ncnc2c1CCN(C(=O)c1cccc(C#N)c1)CC2 96084038 UUNCPASAOGHDOX-UHFFFAOYSA-N 335.411 2.410 30 40 EEEB COCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 19593573 ZPCQTOXTQODIKX-UHFFFAOYSA-N 346.390 2.043 30 40 EEEB N#Cc1nccnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 20443686 ONTQNIUAZKHYMK-UHFFFAOYSA-N 334.305 2.089 30 40 EEEB N#Cc1cccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 100967972 CQOIPNYHXFJQOD-GJZGRUSLSA-N 325.368 2.062 30 40 EEEB CN(C)C(=O)N1CCC(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 79095298 YMKBARPIDLHDQA-HNNXBMFYSA-N 348.834 2.414 30 40 EEEB C=CCOc1c(Br)cc(/C=N\n2cnnc2)cc1OC 2980467 BZKSQARJWZGPJX-IDUWFGFVSA-N 337.177 2.496 30 40 EEEB O=[N+]([O-])c1ccc(N2CCN([C@H]3/C(=N/O)[C@H]4CC[C@H]3C4)CC2)cc1 100986929 ZCCKXNDQPASUOS-HXRFJVQMSA-N 330.388 2.346 30 40 EEEB Cc1cccc(OC[C@H](O)CNC(=O)Nc2cccc(C#N)c2)c1 58014562 CIKCCEGWVHEHGX-MRXNPFEDSA-N 325.368 2.428 30 40 EEEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC2CC2)CC1 44967635 SLKICICEZJLXOD-UHFFFAOYSA-N 341.371 2.048 30 40 EEEB C=CCN(CC(F)(F)F)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 58367871 CWCDFSJIMGHFEF-UHFFFAOYSA-N 341.333 2.373 30 40 EEEB COc1ccc(OC)c([C@@H](C)N/C(=N/C2CC2)NCc2cc[nH]n2)c1 84647527 RVWLKMVFTZJBMQ-GFCCVEGCSA-N 343.431 2.386 30 40 EEEB COc1ccc(S(=O)(=O)c2c(C#N)c(C(F)(F)F)nn2C)cc1 5669937 ACZYEJIIFXVLIY-UHFFFAOYSA-N 345.302 2.152 30 40 EEEB Cc1ccc(C(=O)C2=C(O)C(=O)OC23C(=O)c2ccccc2C3=O)cc1 5818238 PVOGKZQMOBMZIM-UHFFFAOYSA-N 348.310 2.365 30 40 EEEB N#C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccccc1F 71889059 ZAVGUSCKLIASNF-MRXNPFEDSA-N 341.342 2.433 30 40 EEEB N#Cc1ccc(CC(=O)N2CCCN(Cc3cscn3)CC2)cc1 69919016 MOICSJQREFRRNB-UHFFFAOYSA-N 340.452 2.292 30 40 EEEB C/N=C(\NCc1ccc(C)cc1OC[C@@H]1CCOC1)NCC1CC1 97021815 LGIGNRVQPMWCPM-MRXNPFEDSA-N 331.460 2.485 30 40 EEEB CN(c1ncccc1C#N)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 72276356 XYZCQBDMAZVPDJ-HNNXBMFYSA-N 338.415 2.314 30 40 EEEB C=CCOc1ccc(/C=C/C(=O)NCC[S@@](=O)CC)cc1OC 72283749 CUPWFCBLNYCRJI-ISGGHPHESA-N 337.441 2.158 30 40 EEEB Cc1cc(F)cc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1[N+](=O)[O-] 89587342 FKCHZUVLANLVKO-OAHLLOKOSA-N 348.378 2.348 30 40 EEEB C[C@@H]1C[C@H]1C(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1 89920430 RMLHQJLNMIRZPX-CRAIPNDOSA-N 327.428 2.127 30 40 EEEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1ccccc1 408528947 XZABIHITZKVUAM-GFCCVEGCSA-N 325.299 2.427 30 40 EEEB N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4cccnc4)C3)C2)n1 96047681 HCNZCQCOJCSWJV-PKOBYXMFSA-N 335.411 2.194 30 40 EEEB N#Cc1cc2cccnc2nc1N1CCC(CO[C@@H]2CCNC2)CC1 600957328 NGDACOUBJOHZSO-QGZVFWFLSA-N 337.427 2.096 30 40 EEEB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1nnc(C)c(C)c1C#N 69668699 SEPAXAOSXWHJLT-CVEARBPZSA-N 327.432 2.335 30 40 EEEB COc1cc(/C=N/n2c(C)cc(C)c(C#N)c2=O)ccc1OC(C)=O 116532 FRTWQPZSQRUGSM-KEBDBYFISA-N 339.351 2.153 30 40 EEEB CCc1ncncc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 56291463 SKRCGYLXFBPEPH-UHFFFAOYSA-N 349.438 2.259 30 40 EEEB Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1 6348416 QYYVZPARMZMDFA-UHFFFAOYSA-N 342.380 2.002 30 40 EEEB C=CCOc1ccc(C(=O)N[C@H](C(N)=O)c2ccccc2)cc1OC 10268694 LFMUNXOXWFFCPX-KRWDZBQOSA-N 340.379 2.216 30 40 EEEB CCN1CC[C@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)[C@H](C)C1 95431074 MZYIPFIHXAZHTL-QAPCUYQASA-N 344.459 2.309 30 40 EEEB N#Cc1ccc(NC(=O)NCCS(=O)(=O)c2ccccc2)cc1 47334360 WWZWRQYRBKRADT-UHFFFAOYSA-N 329.381 2.154 30 40 EEEB COCCN1CC[C@@]2(CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 108535224 IUWPGANWXVTIHL-FQEVSTJZSA-N 341.455 2.409 30 40 EEEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 5377227 UMTFUYSOVJKKDE-JJLJGCLUSA-N 338.454 2.006 30 40 EEEB N#CCN(CC#N)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 71850337 YVHLVNUIRXQEMQ-GOSISDBHSA-N 346.390 2.424 30 40 EEEB CS[C@@H]1C(C(=O)c2ccccn2)=C(CC(=O)O)C(=O)N1CC(C)C 62716465 SLPNJVAYWKXVEG-QGZVFWFLSA-N 348.424 2.223 30 40 EEEB N#CCc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c1 69697425 WUHVYYJQSQDFIR-IBGZPJMESA-N 347.418 2.372 30 40 EEEB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(C#N)cn2)cc1 74729794 LBNNGFYPWXBXEK-INIZCTEOSA-N 334.379 2.391 30 40 EEEB CCc1nonc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 40114453 AWFNTSZFAFRMQL-FNORWQNLSA-N 328.328 2.195 30 40 EEEB N#Cc1ccnc(N2CCN(C[C@@H](O)c3c(F)cccc3F)CC2)c1 51877500 USAUGZNYZLPKLL-MRXNPFEDSA-N 344.365 2.087 30 40 EEEB C[C@H](C(=O)[C@@H](C#N)C(=O)NC1CCCC1)N1CCc2ccccc2C1 101831579 ZBZQSMAWLHGNEC-RDTXWAMCSA-N 339.439 2.201 30 40 EEEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCO)[C@H]2c2ccccc2)cc1 102883512 AGZUQZWMDCHGJD-HVESIFNPSA-N 337.375 2.409 30 40 EEEB Cc1c(C#N)c2ncn(CCCN(C)C)c(=O)c2n1-c1ccccc1 535294 QYXVMFFNXHKZMB-UHFFFAOYSA-N 335.411 2.319 30 40 EEEB Cc1ccc2[nH]c3c(=O)n(N=Cc4ccc(O)cc4)c(=O)[nH]c3c2c1 502039 VEHRFXYDVKQKMY-UHFFFAOYSA-N 334.335 2.067 30 40 EEEB N#Cc1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1Cl 89769847 DYCMYKMYXNTLND-KGLIPLIRSA-N 332.791 2.487 30 40 EEEB N#Cc1cccc(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)c1 29394199 IPTPKCKJODEGPG-UHFFFAOYSA-N 342.424 2.032 30 40 EEEB COc1cccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c1O 2654427 VNTFDMCFGQUPND-LICLKQGHSA-N 334.397 2.330 30 40 EEEB CN(CCC#N)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 3283892 YQSHRYDMBUPHCR-UHFFFAOYSA-N 330.171 2.104 30 40 EEEB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(C#N)cc1 6561134 FJRCLDNILHZJMG-UHFFFAOYSA-N 339.370 2.476 30 40 EEEB N#CCC(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 16735862 IHJKZTCETCCZET-LLVKDONJSA-N 347.440 2.388 30 40 EEEB C[C@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 97037698 DFOIGDNYLHOROU-STQMWFEESA-N 345.447 2.225 30 40 EEEB C[C@H](Sc1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 69775187 YGNGZKYKPYGPAZ-QMMMGPOBSA-N 331.319 2.427 30 40 EEEB C#Cc1cccc(NC(=O)C(=O)NCCCCNc2ccccn2)c1 72291112 IRZLVTKTUFVQJO-UHFFFAOYSA-N 336.395 2.010 30 40 EEEB N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1C(F)(F)F 96483449 FKWYEBYDXXFEQZ-CHWSQXEVSA-N 348.346 2.159 30 40 EEEB C[C@@H](C#N)CN(C)c1cc(Cl)nc(I)n1 1615551904 QHCUBFONBREGQK-LURJTMIESA-N 336.564 2.330 30 40 EEEB C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 12759283 LBFLEFMLAQYIJZ-UHFFFAOYSA-N 328.393 2.171 30 40 EEEB Cc1cnn(CC2CN(c3ncc(Br)cc3C#N)C2)c1 1889084185 VZTJCFNMIIMZNE-UHFFFAOYSA-N 332.205 2.357 30 40 EEEB C=CC(C)(C)OC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 12421373 QPCTZVBYKDXURB-INIZCTEOSA-N 334.460 2.159 30 40 EEEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cn[nH]c2)c1 32934807 QLLFDSONJPSISL-UHFFFAOYSA-N 326.356 2.130 30 40 EEEB C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 47863035 HTGKGQWFNXYXKF-UHFFFAOYSA-N 336.457 2.413 30 40 EEEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccccc1 34863337 OTVQWMJUJFSYFC-UHFFFAOYSA-N 343.408 2.410 30 40 EEEB C=CCN(CCn1ccnc1)S(=O)(=O)c1ccc(Cl)cc1 95458722 IIUPSJXRBIHYJC-UHFFFAOYSA-N 325.821 2.413 30 40 EEEB N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2CCCCC2)cc1 12797392 SOAPAIXWOUDCDS-UHFFFAOYSA-N 349.456 2.189 30 40 EEEB C=CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 3552929 VNZAEZRJIQADBA-JTQLQIEISA-N 336.413 2.042 30 40 EEEB CSc1nc2n(n1)[C@H](c1cn(C)nc1C)C1=C(CCCC1=O)N2 6921557 MDTGNJAHFUMBRW-CYBMUJFWSA-N 330.417 2.064 30 40 EEEB CNc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)o2)nc1C#N 71284822 DANQSWOJDPHWHS-UHFFFAOYSA-N 336.373 2.023 30 40 EEEB CN(CC#N)S(=O)(=O)c1c(Cl)cc(F)cc1Br 97114268 GOJOBTITJMRLII-UHFFFAOYSA-N 341.589 2.386 30 40 EEEB CN1C[C@@H]2[C@H](C3=C(CC(C)(C)CC3=O)N2Cc2ccccc2)[C@@H](O)C1 4273418 KOHMZZHVNVAGOM-KPFFTGBYSA-N 340.467 2.437 30 40 EEEB biogenic N#C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 225640406 RXZOEDGZRDOTRR-KBRIMQKVSA-N 327.361 2.495 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222323782 CYIRFOHUIPKUIU-CUPAIVAPSA-N 335.407 2.140 30 40 EEEB CCc1nc(CN(C)C(=O)C#Cc2ccc3c(c2)OCO3)cs1 95416832 RKIUYBAAWUDYNW-UHFFFAOYSA-N 328.393 2.444 30 40 EEEB CCn1cc(-c2ccnc(N/N=C/c3c(C)nn(C)c3F)n2)c(C)n1 252510669 ZNXUSTGRJXRXDO-UFWORHAWSA-N 342.382 2.295 30 40 EEEB C=C(Br)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 69845602 JRULRWZNJMLSRF-CHWSQXEVSA-N 343.265 2.440 30 40 EEEB Cc1ccc2c(c1)[C@]1(C)C=C(CN3CCN(C)CC3)C(=O)C[C@H]1O2 19364743 ZULLLCBLCVVHKZ-UXHICEINSA-N 326.440 2.160 30 40 EEEB COc1cc(N2CCC[C@@H](COc3cc(C#N)ccn3)C2)ncn1 1889109330 OOISLDVTJDKPSR-CQSZACIVSA-N 325.372 2.047 30 40 EEEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1nncn1-c1ccccc1 40088242 WUODIFBUGWWHLG-CQSZACIVSA-N 347.378 2.223 30 40 EEEB C#CCNC(=O)CNC(=O)Nc1ccc(SC(F)(F)F)cc1 51615245 CFKUDHRFXNRCIW-UHFFFAOYSA-N 331.319 2.169 30 40 EEEB COc1c(CNC(=O)CSCc2ccc(C#N)cc2)c(C)nn1C 96006956 PAQIFLOOHYMFAH-UHFFFAOYSA-N 344.440 2.158 30 40 EEEB Cc1nnc(CN(C)[C@H]2CCN(Cc3ccc(F)cc3C#N)C2)o1 78891358 QPYOEDZTARLVCB-INIZCTEOSA-N 329.379 2.095 30 40 EEEB CCN(C[C@H](C)C#N)C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 47534232 TWPZAMPQQFXPNB-SNVBAGLBSA-N 344.440 2.334 30 40 EEEB CCOC(=O)C1=C(N)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 5248497 FWKXYLKTLDUTRM-AWEZNQCLSA-N 341.411 2.145 30 40 EEEB C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1sccc1C#N 14676299 LBEQOXVFRIQWKW-MRVPVSSYSA-N 336.446 2.481 30 40 EEEB COc1ccc(OC)c(CN(CCO)C(=O)c2cccc(C#N)c2)c1 71898116 UKMJYJBHXBXOGT-UHFFFAOYSA-N 340.379 2.210 30 40 EEEB CCN(C)c1cc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccn1 69623263 OFJBUZOWVRHZEN-AWEZNQCLSA-N 338.411 2.493 30 40 EEEB C=CCOc1ccccc1CNC(=O)N1CC[C@@](O)(C(F)(F)F)C1 75092445 PYWRPGHRWOEZME-HNNXBMFYSA-N 344.333 2.460 30 40 EEEB Cc1cc(C(=O)N2C[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]3C2)c(C)o1 1065962503 IYGHHCPMOISJGO-IYBDPMFKSA-N 336.395 2.372 30 40 EEEB CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1cccc(C#N)c1 78898838 RCMTUUNPBKAPME-ROUUACIJSA-N 349.500 2.487 30 40 EEEB CS(=O)(=O)CC1(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 78974358 UVRMSADIRRVBLI-CYBMUJFWSA-N 340.832 2.236 30 40 EEEB Cc1cc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)ccc1F 2685096 JLBSSWRLMYEVNP-UHFFFAOYSA-N 335.312 2.051 30 40 EEEB N#Cc1ccc(N2CCN(c3nc4ccccc4cc3CO)CC2)nc1 95399221 JQRPGQSHUKEHIN-UHFFFAOYSA-N 345.406 2.320 30 40 EEEB CC(C)c1noc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)n1 58248959 VJJHZODAYYXTLL-KRWDZBQOSA-N 339.355 2.032 30 40 EEEB CCOC(=O)C/C(=N\Nc1nc(=O)[nH]c2ccccc12)c1ccco1 14134898 DWVBTBYGRHTANS-DEDYPNTBSA-N 340.339 2.286 30 40 EEEB N#Cc1ccc(COC(=O)Cc2csc(N3CCCC3=O)n2)cc1 6586067 UBTCMDZCMKDGBP-UHFFFAOYSA-N 341.392 2.427 30 40 EEEB CN1CCN(c2ncccc2CNc2ccc(Cl)c(C#N)n2)CC1 67369869 HZZZNORBQDQBJJ-UHFFFAOYSA-N 342.834 2.366 30 40 EEEB C=C(Br)CNC(=O)[C@@H](CC(C)C)N1CCCCC1=O 95964745 OFFFPLXIHDAYOH-GFCCVEGCSA-N 331.254 2.438 30 40 EEEB C=CCN1C(=O)C(=O)N(Cc2csc(-c3ccccc3F)n2)C1=O 69381206 AJULAHHUSRJQLF-UHFFFAOYSA-N 345.355 2.426 30 40 EEEB Cc1cc(S(=O)(=O)N(CCO)c2ccc(C#N)cc2)c(C)s1 89643479 IWBXBOXCWMKHEN-UHFFFAOYSA-N 336.438 2.424 30 40 EEEB C[C@H](Oc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1)C(=O)O 408843675 GZSUEBUCKFKAFO-VSMYLPJWSA-N 338.319 2.169 30 40 EEEB CSc1nn(-c2ccccc2)c(NC(=O)Cn2cccn2)c1C#N 125757711 UAVDOMBGARUQBW-UHFFFAOYSA-N 338.396 2.301 30 40 EEEB COc1nn(C)cc1N=C(O)N1CCCN2c3ccccc3C[C@@H]2C1 329420271 HGWINEHDGDHZFJ-CQSZACIVSA-N 341.415 2.111 30 40 EEEB N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(C(=O)C4CC=CC4)C3)C2)n1 96219305 PQKOFARZBLRVNY-APWZRJJASA-N 338.411 2.091 30 40 EEEB N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)cc1 230167617 ZAFZRSBLVUPHSV-WBVHZDCISA-N 334.441 2.262 30 40 EEEB CC(C)CNS(=O)(=O)c1ccc(CNc2cnccc2C#N)cc1 91675452 HYIICDNNENAEEX-UHFFFAOYSA-N 344.440 2.500 30 40 EEEB CCOc1ccccc1CN1CCN(c2cnc(C#N)cn2)[C@@H](C)C1 252536181 HUCGSFXFALZQIE-HNNXBMFYSA-N 337.427 2.458 30 40 EEEB CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cc(C#N)ccn1 597954722 MOOCNJMZSZHZNV-WMLDXEAASA-N 339.399 2.067 30 40 EEEB COCCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 12659892 MUTNTWORRQUWBW-DGUWLTKGSA-N 337.460 2.140 30 40 EEEB biogenic CCOC[C@@H]1CN(c2ccc(C)c(C#N)n2)C[C@H]1c1cnn(C)c1 585655495 RKEJINHUWXUSGK-HOTGVXAUSA-N 325.416 2.252 30 40 EEEB CN(C)[C@H](CNC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 25605731 PGVZSFKHIKEBNK-AZUAARDMSA-N 339.439 2.190 30 40 EEEB N#Cc1ccccc1NC(=O)CN1CCN(c2ccccc2O)CC1 58123559 ARKHZTXQIQBRDR-UHFFFAOYSA-N 336.395 2.025 30 40 EEEB O/N=C1\[C@H]2CC[C@@H](C2)[C@H]1N1CCN(Cc2ccc3c(c2)OCO3)CC1 100950413 RYIRYRJWGGJWLR-VJTVFIPSSA-N 343.427 2.162 30 40 EEEB O=S(=O)(/N=C(\O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1 48406224 JXTPSKKRDYKBOU-ZDUSSCGKSA-N 346.412 2.038 30 40 EEEB CCCn1c(=O)[nH]c2cc(S(=O)(=O)/N=C(\O)[C@H](C)CC)ccc21 48574463 YNNXOKICYBUQCT-SNVBAGLBSA-N 339.417 2.431 30 40 EEEB CCc1nc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)no1 75573237 GKSVSBWKKBFZNA-GOEBONIOSA-N 342.399 2.080 30 40 EEEB CCC[C@H](C#N)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96419259 YZNCLDOFSAXCDZ-LLVKDONJSA-N 330.356 2.034 30 40 EEEB N#CCCCS(=O)(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95984245 RRVUABHBMFWLRC-KBPBESRZSA-N 328.821 2.393 30 40 EEEB C=CCNC1=NN=C(c2ccc(F)c(CCNC(C)=O)c2)CS1 95964101 UMGSEAPJWLTYDD-UHFFFAOYSA-N 334.420 2.087 30 40 EEEB C#CCN(Cc1cccc(C)n1)C(=O)c1cccc([N+](=O)[O-])c1O 95427117 NFNYCPLZAJJBCL-UHFFFAOYSA-N 325.324 2.279 30 40 EEEB COC(=O)c1ccc(C)c(/N=C/c2ccc(OCC(N)=O)cc2)c1 408903998 CDLKUSTVZVNQJP-KEBDBYFISA-N 326.352 2.396 30 40 EEEB C=CCNC(=O)CN(C)Cc1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 585115980 CJSUXSMRXQTXBH-CALCHBBNSA-N 345.487 2.030 30 40 EEEB CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCO[C@H]1c1nccn1C 596744887 MWDDWFHZCRCGFZ-IAGOWNOFSA-N 338.411 2.418 30 40 EEEB COC1(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 616298774 AXOWEBLRXLAFND-UHFFFAOYSA-N 331.391 2.305 30 40 EEEB N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(n2nccn2)C3)cc1 253471992 HJHDLRYMLYSTDB-IRXDYDNUSA-N 335.411 2.477 30 40 EEEB Cc1nc(C(=O)N[C@H](C#N)c2cnn(-c3ccccc3)c2)ccc1C#N 78771905 UDGBLNHPGWFCOV-GOSISDBHSA-N 342.362 2.442 30 40 EEEB N#Cc1ccccc1CN1CCN(Cc2nccn2C(F)F)CC1 78970568 OVLMXWFUJMBYPZ-UHFFFAOYSA-N 331.370 2.468 30 40 EEEB COc1ccc(CCCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1F 79055598 WSAMLSPMYXHJPW-UHFFFAOYSA-N 327.319 2.262 30 40 EEEB C#CC[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 103630073 PLKWEVUMSNPOQP-YORIJRMUSA-N 328.432 2.079 30 40 EEEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc1O 12347282 HJAMWWBDUCNNFF-ZDUSSCGKSA-N 327.340 2.394 30 40 EEEB C#CCNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 12971716 GICCVQVWWTYJEN-UHFFFAOYSA-N 349.312 2.440 30 40 EEEB CN(CCc1ccc(Br)cc1)CC(=O)N(C)CCC#N 69656240 ZWHAGKWVTPUMCL-UHFFFAOYSA-N 338.249 2.295 30 40 EEEB N#CC1(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCCCC1 97086395 VRPGTYBUNNBAAM-HNNXBMFYSA-N 326.400 2.167 30 40 EEEB C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(c2cn[nH]c2)CC1 97203118 BGOYQLAGDDVSPQ-CQSZACIVSA-N 329.448 2.320 30 40 EEEB COc1ccc(C#N)cc1CN[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583620157 IWAGSDSNQGWYMT-APWZRJJASA-N 336.395 2.023 30 40 EEEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)c4cccnc4)C3)CC2=O)cc1 96238845 JQCNHDYZGXCMNF-FQEVSTJZSA-N 346.390 2.222 30 40 EEEB CN(C)CC#CCNC(=O)c1cc(Br)ccc1Cl 85470518 FWVANWOBZHZAMK-UHFFFAOYSA-N 329.625 2.397 30 40 EEEB C[C@H](OCC1CC1)/C(O)=N/S(=O)(=O)N1CCc2sccc2C1 69892403 MNHDTGYMZYKWNM-JTQLQIEISA-N 344.458 2.123 30 40 EEEB C=CCNC(=O)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 96500916 CCJXZRZKDCISKX-CQSZACIVSA-N 328.334 2.381 30 40 EEEB C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/c1ccc(C(C)=O)cc1 100837495 LDFJPHHKYXISTJ-PHODEOQFSA-N 332.381 2.481 30 40 EEEB Cc1nn(Cc2ccccc2)c(C)c1C/N=C(/N)N1CCSCC1 104158102 XTIFWOVZYQFISM-UHFFFAOYSA-N 343.500 2.412 30 40 EEEB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cc(C#N)n(C)c1C 89948828 YCMKXNIEDSFDSM-KBXCAEBGSA-N 328.460 2.332 30 40 EEEB CC(C)c1nnnn1CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 76093458 XZDQLLHIPNGGSQ-HNNXBMFYSA-N 340.431 2.475 30 40 EEEB N#Cc1nccnc1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 69535089 YVQMSHIAWHEHQP-NSHDSACASA-N 338.289 2.219 30 40 EEEB O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/Nc1ccccc1 408742348 WEDACMOBMZABJL-BGARDKSCSA-N 338.392 2.148 30 40 EEEB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)CO)cc1 225636789 QZSAYYAREXRYAD-KSZLIROESA-N 343.404 2.137 30 40 EEEB N#Cc1cccc(OC2CCN(C(=O)Nc3cnns3)CC2)c1 192361699 ODOXSQIYVKBBCB-UHFFFAOYSA-N 329.385 2.485 30 40 EEEB CN([C@H](c1ccc(F)cc1)c1ncc[nH]1)S(=O)(=O)CCCC#N 585115435 ZUHZXSXBZLNSIT-CQSZACIVSA-N 336.392 2.204 30 40 EEEB Cc1cccc(S(=O)(=O)NCc2cccc(C(=O)O)c2)c1C#N 612428853 PKVYQVDOHFPEJY-UHFFFAOYSA-N 330.365 2.043 30 40 EEEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccncc3F)C2)c1 1776000761 ITYJXDSGRKTVPZ-AWEZNQCLSA-N 340.358 2.419 30 40 EEEB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)C[C@@H]1CCCO1 54489604 SATUWAKXMDVEEJ-NSHDSACASA-N 328.346 2.118 30 40 EEEB Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(N2CCCC2)n1 21360571 KHHDZTOQFSWRQK-UHFFFAOYSA-N 337.383 2.274 30 40 EEEB C[C@]1(c2cccs2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O 44944285 QYXQMOGFDFGOOQ-QGZVFWFLSA-N 341.392 2.466 30 40 EEEB CCOc1ncccc1C(=O)OCC(=O)Nc1cccc(C#N)c1 3271151 KXCCLSZWRNQYRC-UHFFFAOYSA-N 325.324 2.147 30 40 EEEB CC(C)(C)OC(=O)N1CCC(CC(=O)/N=C2/NCCS2)CC1 58413750 AXUNJNGKGSIFPO-UHFFFAOYSA-N 327.450 2.243 30 40 EEEB N#Cc1c[nH]c(C(=O)NCCC2CCN(CC(F)(F)F)CC2)c1 176981417 QLXQLYAOSQLSBC-UHFFFAOYSA-N 328.338 2.281 30 40 EEEB C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1n[nH]c(N)n1 12884438 BCAMICOOPGXXFP-UHFFFAOYSA-N 343.865 2.409 30 40 EEEB C/N=C1/S/C(=C/C(=O)O)C(=O)N1CCc1c[nH]c2ccccc12 5274646 SVIQJXJRMSNJMK-NZOAFPJWSA-N 329.381 2.240 30 40 EEEB C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 71870389 XMIRUZDMSYIKOS-BHYGNILZSA-N 327.428 2.411 30 40 EEEB CCN1C(=O)C(CC(=O)O)=C(C(=O)c2ccc(F)cc2)[C@@H]1SC 62716316 SLUXFHXXDJCCHF-INIZCTEOSA-N 337.372 2.331 30 40 EEEB C=CCn1c2c(ccc1=O)C[C@H](NCc1ccc3c(c1)OCO3)CC2 96189699 NHLHGZDBRCHXAU-MRXNPFEDSA-N 338.407 2.410 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(N)C#N)cc1 242495906 GSILCGDVBPSOLJ-BRWVUGGUSA-N 330.384 2.295 30 40 EEEB C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C 1560407640 WSELXDMNAHVXFN-QQMISJAGSA-N 333.448 2.191 30 40 EEEB N#Cc1cncnc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 584228685 JPYOIGKRSQDDLH-RDTXWAMCSA-N 336.399 2.242 30 40 EEEB N#Cc1ccnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)c1 1775974289 WAKYSNDMSCRMIP-UHFFFAOYSA-N 343.394 2.132 30 40 EEEB CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1ccc(F)c(C#N)c1 89310234 OHPRPWRNCYVJOJ-KRWDZBQOSA-N 348.399 2.442 30 40 EEEB C=CCNC(=O)NC(=O)CN1CCCc2cccc(OC(F)F)c21 58198188 IIDPESQOWCKLRI-UHFFFAOYSA-N 339.342 2.052 30 40 EEEB C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 58209399 YHXWTEHCXQUYFT-ZDUSSCGKSA-N 337.217 2.356 30 40 EEEB O/C(Cc1ccc2c(c1)OCCO2)=N\c1nc(-c2ccccn2)n[nH]1 44944177 WIINMTDJEOSJSN-UHFFFAOYSA-N 337.339 2.469 30 40 EEEB COc1c(C)cnc(CN2CCN(c3cc(C#N)ccn3)CC2)c1C 67226968 FWRAMJSGTVQCKD-UHFFFAOYSA-N 337.427 2.296 30 40 EEEB C=CCN(CC(=O)N1CC(=O)Nc2ccccc21)CC(F)(F)F 71900580 IFHKQEHFEGJRGJ-UHFFFAOYSA-N 327.306 2.022 30 40 EEEB N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 89780989 ZLWDDFXXVQMUKC-DLBZAZTESA-N 337.354 2.099 30 40 EEEB C=CCNC(=O)[C@@H](C)Oc1nn(C)c2ccc(Br)cc12 226754818 PQPDCFHRBNLPKG-SECBINFHSA-N 338.205 2.405 30 40 EEEB C[C@@H]1CCN(S(=O)(=O)CCCC#N)CCN1Cc1ccccc1 96433537 JKLVHXHRKXQDHY-MRXNPFEDSA-N 335.473 2.216 30 40 EEEB N#Cc1ncn(CC(=O)c2ccc(OC(F)F)cc2OC(F)F)n1 14143250 UJRFGWKWKKNLRL-UHFFFAOYSA-N 344.224 2.235 30 40 EEEB N#Cc1ccc(C(=O)N2CC[C@H](Nc3ncnc4c3CCC4)C2)cc1 75877019 XUONVLJFOVETHI-HNNXBMFYSA-N 333.395 2.164 30 40 EEEB C=CCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21 100504440 YYWXIGJMNGNRJW-UHFFFAOYSA-N 337.335 2.246 30 40 EEEB CCN(CC)/N=N/c1ccc(S(=O)(=O)/N=C2\NCCS2)cc1 306372 HEUHBAWGUDSQIA-BMRADRMJSA-N 341.462 2.408 30 40 EEEB C/C(=N/O)c1cc([N+](=O)[O-])ccc1Sc1ncnc(N(C)C)c1N 103747674 CQXQBRJRJNEFIO-LSCVHKIXSA-N 348.388 2.382 30 40 EEEB CCc1c(C(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(OC)nn1 24547906 XZDSUTXBVBFEQQ-UHFFFAOYSA-N 348.366 2.357 30 40 EEEB Cn1nc([N+](=O)[O-])c([C@@H](C#N)c2nc3ccccc3o2)c(Cl)c1=O 3224710 GVYHCGIAIFISIE-SSDOTTSWSA-N 345.702 2.139 30 40 EEEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2CC1 100175787 FEIFNQZDWYBITD-BSQNMXGOSA-N 325.324 2.126 30 40 EEEB Cc1nn(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(=O)c(C#N)c1C 29502389 DLBFEIULFXGARL-ZDUSSCGKSA-N 342.374 2.091 30 40 EEEB COc1cc(Cl)ccc1/C(O)=N/S(=O)(=O)N1CCCCC1 65654365 VMRMBJJYTNJWPF-UHFFFAOYSA-N 332.809 2.384 30 40 EEEB O/C(=N\c1nc2ncccn2n1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 71899755 DYOWTRNHDGYHDC-LBPRGKRZSA-N 344.281 2.184 30 40 EEEB Cc1ccc(C#N)cc1S(=O)(=O)NC1(C(F)(F)F)CCOCC1 95962313 PZIGXANEWBUZGN-UHFFFAOYSA-N 348.346 2.257 30 40 EEEB C/N=C(/NCCCOC[C@@H]1CCCO1)NCc1ccc(N(C)C)cc1 95959963 SNOLPNGKEPLFJG-SFHVURJKSA-N 348.491 2.003 30 40 EEEB Cc1cccc(CNS(=O)(=O)CCCC#N)c1Br 195576946 DTVCMVGKCOUYJI-UHFFFAOYSA-N 331.235 2.481 30 40 EEEB CC(C)(O)CN(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 192795556 MFELCGSKCAZVTG-QGZVFWFLSA-N 327.428 2.289 30 40 EEEB COCC(=O)N1CCN(c2c(C#N)cnc3ccc(Cl)cc23)CC1 96429191 MCJXHQMITLJECS-UHFFFAOYSA-N 344.802 2.055 30 40 EEEB CCN(CC)c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 254632760 NINXSHOTVGYYPD-GVAFMPQTSA-N 327.384 2.267 30 40 EEEB N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=O)N3 100218834 QFRCSMYVSDZNDF-QXGSTGNESA-N 332.363 2.318 30 40 EEEB CNC(=O)COc1cccc(CNc2snc(Cl)c2C#N)c1 44977016 WVNDBSDBIUKRTM-UHFFFAOYSA-N 336.804 2.405 30 40 EEEB C=CCN(C(=O)c1cc2ccc(C)cc2[nH]1)[C@H]1CCS(=O)(=O)C1 58330160 ZJVUUTGADUVOEV-AWEZNQCLSA-N 332.425 2.292 30 40 EEEB C=CCO[C@@H](C)C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 58357952 TZIFEFPIDMGJPA-INIZCTEOSA-N 344.455 2.226 30 40 EEEB N#Cc1cccc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)c1 108532455 DYFFKALDAXNYRA-UHFFFAOYSA-N 337.423 2.423 30 40 EEEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC[C@@H]1CCCO1 29161616 JYKLPHOINAMVGR-NWDGAFQWSA-N 326.356 2.001 30 40 EEEB N#Cc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 12821289 TWSUVMMAFPSLSM-UHFFFAOYSA-N 341.392 2.350 30 40 EEEB Cc1nn(C)c(C)c1C(=O)N1CCCN(c2ccccc2C#N)CC1 71820917 BSRWIAWPEFXFIB-UHFFFAOYSA-N 337.427 2.261 30 40 EEEB CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)OC[C@@H]1c1ccccc1 72896769 OCDGCIHOZPWJIN-SOLBZPMBSA-N 329.444 2.457 30 40 EEEB Cc1ccc(NC(=O)CN(C)CC(=O)NC2(C#N)CCCCC2)cc1 30541260 USIXQEGNTRDGRR-UHFFFAOYSA-N 342.443 2.208 30 40 EEEB C/N=C(/NCc1nc(C2CC2)no1)N(C)C[C@H](C)c1nccs1 195564472 LJTXHRFETABORP-JTQLQIEISA-N 334.449 2.214 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]([C@H]1CCOC1)N1CCCC1 44976784 DUWSXXOFCGJGPF-GUYCJALGSA-N 330.388 2.379 30 40 EEEB CCOC(=O)[C@@H]1C/C(=N\OC(C)=O)c2ccc(OC)c(OC)c2C1 5374356 UJRNNAJBQQBYRY-KEVMXDQOSA-N 335.356 2.097 30 40 EEEB Cc1ccccc1N(CC(=O)Nc1sccc1C#N)S(C)(=O)=O 6646998 ITHQVCXFTQGUJH-UHFFFAOYSA-N 349.437 2.333 30 40 EEEB C=CCN1CCN(C(=O)Cc2ccc(F)cn2)Cc2cccnc21 1565549496 SIDXUDKUWWPHJO-UHFFFAOYSA-N 326.375 2.193 30 40 EEEB N#Cc1cccc(C(=O)N2CC(c3nc(-c4cccnc4)no3)C2)c1 49483329 NBLWMGZTXWAZCD-UHFFFAOYSA-N 331.335 2.243 30 40 EEEB N#Cc1cccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 24832778 DEWQULCVRXDLPU-UHFFFAOYSA-N 333.347 2.460 30 40 EEEB CC(=O)O/N=C(/C)c1ncc(C(F)(F)F)cc1N1CCOCC1 1395218 IIGWDIUTCNZWRE-OCKHKDLRSA-N 331.294 2.224 30 40 EEEB C=CCNC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C 22689210 UANCPUNURNCSNY-QGZVFWFLSA-N 346.452 2.445 30 40 EEEB C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 48382529 OGHUMLUMUJMOOB-LSDHHAIUSA-N 328.368 2.208 30 40 EEEB CN(c1cccnn1)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 96492667 HQJAFRCDNZASMV-UHFFFAOYSA-N 336.399 2.481 30 40 EEEB C=CCn1c(Sc2nc(CC)ns2)nnc1-c1cnccn1 92685265 NBHOACPUQFXHAE-UHFFFAOYSA-N 331.430 2.486 30 40 EEEB Cc1cccn(C/C(O)=N/c2nc(Cc3cccc(F)c3)n[nH]2)c1=O 97080795 HWWKCJHPKJWHGS-UHFFFAOYSA-N 341.346 2.293 30 40 EEEB CCOCCCN/C(=N/[C@H](C)[C@H]1CCCO1)NCc1ccccn1 95350522 PIVUWKRPTFJPHQ-NVXWUHKLSA-N 334.464 2.111 30 40 EEEB COC[C@H](C)n1ccc(N/C(O)=N/C[C@H](O)c2cc(C)cc(C)c2)n1 330033328 ZEPRYJBCINCFPK-HOCLYGCPSA-N 346.431 2.767 30 40 EEEB COc1cccc(/C=C/CCn2c(=O)c(C#N)cn(C3CC3)c2=O)c1 96455710 HMVIKYBLHAEDHP-GORDUTHDSA-N 337.379 2.329 30 40 EEEB COc1cccc(Cl)c1CC(=O)NCC1CCN(CC#N)CC1 97379144 YFVINXFRYQXRGY-UHFFFAOYSA-N 335.835 2.243 30 40 EEEB C[C@@H](Oc1ccccc1C#N)C(=O)NCc1nncn1-c1ccccc1 60628052 LDOSCJXACVMPPD-CQSZACIVSA-N 347.378 2.223 30 40 EEEB CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100227933 CYIRFOHUIPKUIU-FWHDYIJQSA-N 335.407 2.140 30 40 EEEB NC(=S)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2549931 AWEFVHNRALWAIQ-RQZCQDPDSA-N 330.369 2.341 30 40 EEEB Cc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCCC3)c(=O)[nH]1 62675051 LAPPMVAGZOAZJX-UHFFFAOYSA-N 346.408 2.256 30 40 EEEB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C#N)c1 83645777 TUWPUVVBVBRYHG-PXAQALGRSA-N 333.457 2.437 30 40 EEEB CCOc1cccc2c1OC[C@@H](C(=O)N[C@]1(C#N)CCSC1)C2 71883279 WHKZAVBVZCJZAE-GUYCJALGSA-N 332.425 2.152 30 40 EEEB N#Cc1ccc(N2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)nc1 71821766 UPATZHKQJACWQO-KRWDZBQOSA-N 344.365 2.087 30 40 EEEB Cc1nn(CC(=O)c2ccc(Br)cc2)c(=O)c(C#N)c1C 7441809 WVVKFDAXMBMQEI-UHFFFAOYSA-N 346.184 2.377 30 40 EEEB CCc1nn(C)c(CC)c1CN/C(=N\C)NCCc1nc(C)cs1 95974623 AFXLYZRKBPVFAN-UHFFFAOYSA-N 348.520 2.218 30 40 EEEB N#Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N 18191090 DRLOSMZDKHKAMI-UHFFFAOYSA-N 334.364 2.010 30 40 EEEB N#C[C@H](C(=O)CCn1cc(Br)ccc1=O)c1ccccn1 76021649 IMLSOWJITNLSIG-LBPRGKRZSA-N 346.184 2.272 30 40 EEEB C[C@@]1(C#N)CCCN(C(=O)c2cnn(CCO)c2-c2ccccc2)C1 619442786 SASXJVFIXGHKHA-IBGZPJMESA-N 338.411 2.308 30 40 EEEB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H](C#N)C1 907098089 SKXHYTVQMUWZRG-LBPRGKRZSA-N 336.413 2.432 30 40 EEEB N#CC(C#N)[C@@H](c1ccccc1Cl)[C@H](C(N)=O)[n+]1ccccc1 5866051 DNAUHMJCMAGPSD-JKSUJKDBSA-O 325.779 2.101 30 40 EEEB N#Cc1cccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)c1 15674488 PQHHIISBDHRVRA-SJORKVTESA-N 347.378 2.311 30 40 EEEB biogenic,in-vitro C#CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 4526093 OGFYOSPAKOYIGY-RIYZIHGNSA-N 333.365 2.382 30 40 EEEB C=CCn1c(=O)c(C(=O)NC(C)C)c(O)c2cc(OC)c(OC)cc21 100643320 XMQPCSQZANQLHM-UHFFFAOYSA-N 346.383 2.049 30 40 EEEB COc1ccc(/C(C)=N\NS(=O)(=O)c2ccccc2)cc1OC 369226 ZEHUTGJKFLTPQQ-ATVHPVEESA-N 334.397 2.406 30 40 EEEB CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C#N)[nH]n1 22830358 BVDYDIOLPRAMHS-VIFPVBQESA-N 332.385 2.479 30 40 EEEB O=S(=O)(/N=C(\O)COc1ccc2c(c1)CCC2)c1cccnc1 42321764 CIYQSSHIPLVOKP-UHFFFAOYSA-N 332.381 2.295 30 40 EEEB CSc1nc(C)c(CCC(=O)N(CCC#N)CCC#N)c(C)n1 58282613 WYPPHICQQQKCKW-UHFFFAOYSA-N 331.445 2.404 30 40 EEEB CC(C)(NCC(=O)NC1(C#N)CCCC1)c1ccc2c(c1)OCO2 58377910 FMPFFUBBETWTQU-UHFFFAOYSA-N 329.400 2.193 30 40 EEEB CN(C)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccsc1 45809744 WVQCSEHPQPUTNE-OAHLLOKOSA-N 335.454 2.201 30 40 EEEB C=CCO[C@@H](C)C(=O)N1CCc2[nH]c3c(C(=O)OC)cccc3c2C1 65577277 HZBGGNPKTVIDMO-LBPRGKRZSA-N 342.395 2.430 30 40 EEEB N#Cc1cccnc1NCCOC(=O)[C@@H]1CSc2ccccc2O1 65622994 LAPPMGIULLYFRD-AWEZNQCLSA-N 341.392 2.462 30 40 EEEB COc1ccc(-c2nc(Cn3cnc(C#N)n3)cs2)cc1OC 14143801 RNMYCSLVGOLKFR-UHFFFAOYSA-N 327.369 2.339 30 40 EEEB Cc1ccc(OCC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1 4680444 WHNAADUFCFLBQK-UHFFFAOYSA-N 343.339 2.340 30 40 EEEB CNC(=O)[C@@H](Cc1ccccc1)Sc1nc(C)nc(C)c1C#N 97085471 XKCLYTJLYAWEPZ-OAHLLOKOSA-N 326.425 2.415 30 40 EEEB N#Cc1ccc(OCCN2CCC(NC(=O)c3ccc[nH]3)CC2)cc1 72230328 MDQCAWIPNBJLIN-UHFFFAOYSA-N 338.411 2.160 30 40 EEEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccc[nH]4)C3)CC2=O)cc1 96077455 NVTXQIDZCYXFRI-LJQANCHMSA-N 334.379 2.156 30 40 EEEB N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc1C(F)(F)F 95441145 BEFYEEVAMCJKGD-MFKMUULPSA-N 348.346 2.016 30 40 EEEB Cc1cccc(S(=O)(=O)N2CCC(c3ncco3)CC2)c1C#N 585134980 RNJKSJHAOFJPKD-UHFFFAOYSA-N 331.397 2.423 30 40 EEEB COc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)c(OC)c1 169305989 QQSLNVHVHGNFIY-IGXZWSFESA-N 340.379 2.235 30 40 EEEB CCCCCn1nc(C)c(/C=N/Nc2nc(N)ncc2[N+](=O)[O-])c1C 5447398 LPZVALYVXLCCAG-QGMBQPNBSA-N 346.395 2.417 30 40 EEEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C1CCCC1 16006065 UXLNWIFUPLQSNW-UHFFFAOYSA-N 335.429 2.286 30 40 EEEB Cc1cc(N2C(=O)N(CC#N)S(=O)(=O)c3cccnc32)ccc1F 49420983 YADJVEJIPUIWIB-UHFFFAOYSA-N 346.343 2.315 30 40 EEEB Cc1noc(C)c1CC(=O)N1CCC(Oc2ncccc2C#N)CC1 96119299 NCESGKHQGNZFKY-UHFFFAOYSA-N 340.383 2.171 30 40 EEEB CNC(=S)N/N=C(C)/C=N\Nc1ccc(Br)cc1 104191904 FVARYXUILIRAMV-UFSWOOAPSA-N 328.239 2.317 30 40 EEEB COc1ccc(OC)c(/C(O)=N/S(=O)(=O)c2c(C)noc2C)c1 48490775 DPAZQGZXPSRQBZ-UHFFFAOYSA-N 340.357 2.002 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cn1 72314762 BLKXQECLXMXKQS-UHFFFAOYSA-N 330.775 2.483 30 40 EEEB COc1ccc(/C=N/n2c(C)nnc(-c3ccccc3)c2=O)cc1O 27525724 KFQATCWYAVJQDV-YBFXNURJSA-N 336.351 2.210 30 40 EEEB COc1cc(F)c(F)cc1NC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 585141038 OKTCGLVAGSCNFU-GHMZBOCLSA-N 338.358 2.423 30 40 EEEB CCN(CC)/C(N)=N/Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 95948320 KYVDRPDOJVXFKS-HOTGVXAUSA-N 332.492 2.452 30 40 EEEB CC(C)(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1 13547920 JFDDJSKMDIURAZ-CHROMADKSA-N 333.413 2.380 30 40 EEEB C=CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 19946265 RNSOTFADKULTMU-UHFFFAOYSA-N 344.436 2.493 30 40 EEEB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 30942905 NAWBNOOKTPXHMP-OAHLLOKOSA-N 336.395 2.069 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 32827773 PYURVSMNKKFKPV-UHFFFAOYSA-N 340.343 2.053 30 40 EEEB N#Cc1c(-c2ccco2)nc(SCC(=O)NC2CCCC2)[nH]c1=O 33325300 KGWALTNVDNOQMU-UHFFFAOYSA-N 344.396 2.052 30 40 EEEB N#Cc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 3445421 BDDJYWXYDRCFNJ-UHFFFAOYSA-N 337.379 2.412 30 40 EEEB Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)on1 28623493 YHMPKOJDNYMZAQ-UHFFFAOYSA-N 327.344 2.085 30 40 EEEB CC(C)CC(=O)c1ccc[n+](COC[n+]2ccccc2C/C=N/O)c1 5360230 KPPXLRTUEHVPKQ-AWQFTUOYSA-O 343.427 2.125 30 40 EEEB COc1ccc([C@@H](CN2CCOCC2)Nc2ncccc2C#N)cc1 71841039 HOXGCGGTTKKQOY-GOSISDBHSA-N 338.411 2.447 30 40 EEEB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)CCCCC#N)C1 68898454 LWCFRPFPMPZYOU-HUUCEWRRSA-N 329.510 2.356 30 40 EEEB C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 97033026 LJHFPIUOLRVGIY-SCLBCKFNSA-N 346.394 2.016 30 40 EEEB CC1([C@H]2CCCN(C(=O)NCC#Cc3ccccc3)C2)OCCO1 97086112 HKSWWWYVSIVFGJ-KRWDZBQOSA-N 328.412 2.223 30 40 EEEB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 84325756 KCOLHPQWTRQIHI-CQSZACIVSA-N 345.447 2.447 30 40 EEEB C=CCCC(=O)N1CCC([C@H]2OCC[C@@H]2NC(=O)C(F)(F)F)CC1 1615627340 UMYUHLDERIQVEE-GXTWGEPZSA-N 348.365 2.027 30 40 EEEB Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 48237617 ZZFNXOQTZJUWEZ-UHFFFAOYSA-N 326.356 2.288 30 40 EEEB N#C[C@H](NC(=O)CCc1ccc(Br)cc1)[C@@H]1CCOC1 97212857 BHPCMALVRLRCQY-OCCSQVGLSA-N 337.217 2.427 30 40 EEEB COc1cccc(C(=O)/C=C2/NC[C@H]3c4ccccc4CCN3C2=O)c1 34512 KSQXACRXHIZPML-GQEMFKIVSA-N 348.402 2.491 30 40 EEEB N#Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc1 22765878 FIAXAPFMWZJQGK-KRWDZBQOSA-N 341.436 2.423 30 40 EEEB CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(N2CCCC2=O)cc1 40461017 HPBFKVJUSUZPDB-GOSISDBHSA-N 328.416 2.280 30 40 EEEB Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 7779668 WDYCZOHADPUTPZ-UHFFFAOYSA-N 343.408 2.369 30 40 EEEB CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 58179963 FVFFNKNVUJYAKC-LLVKDONJSA-N 328.821 2.259 30 40 EEEB CN(CCC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 58166094 FXCTYBNLUOSRGB-HNNXBMFYSA-N 331.416 2.494 30 40 EEEB C=CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 2170586 YRJBPYUSWPVPES-KRWDZBQOSA-N 344.436 2.295 30 40 EEEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC1CCC(O)CC1 13000663 CXFMDRTYTPNEDH-BPCQOVAHSA-N 340.383 2.125 30 40 EEEB C=C(Br)CSc1nnc(C2CC2)n1CCC(N)=O 48834498 RNFXCMKLIXYFIT-UHFFFAOYSA-N 331.239 2.032 30 40 EEEB N#Cc1cccc([C@H]2C[C@@H]2/C(O)=N/S(=O)(=O)CC2CCOCC2)c1 83148080 UJIZHQLIQCYXKD-CVEARBPZSA-N 348.424 2.375 30 40 EEEB C=CCN(Cc1cccs1)C(=O)COc1ccc(C(N)=O)cc1 14200729 RUSCDHXJHYTGKG-UHFFFAOYSA-N 330.409 2.441 30 40 EEEB N#Cc1nc(C2CC2)oc1N1CCN(Cn2cc(Cl)cn2)CC1 71833138 MDTVJLKQTFZAOX-UHFFFAOYSA-N 332.795 2.053 30 40 EEEB CC(=O)c1cc(Br)ccc1NCC(=O)N(C)CCC#N 97085455 PFWFBDNTQJHXDH-UHFFFAOYSA-N 338.205 2.436 30 40 EEEB N#Cc1cccc(CN2CCn3cc(CNC(=O)C4CCC4)nc3C2)c1 96197434 YNCWPZNDMCIKMP-UHFFFAOYSA-N 349.438 2.187 30 40 EEEB C=CCO[C@H]1CCN(C(=O)c2cncc(C)c2)[C@H]1Cc1cnn(C)c1 96200679 ZQWUEZPDFITOFM-ROUUACIJSA-N 340.427 2.152 30 40 EEEB C=CCn1c(O)nnc1SC[C@@H]1CCN1C(=O)OC(C)(C)C 1616035058 PWYGGNRRXHFENY-JTQLQIEISA-N 326.422 2.271 30 40 EEEB Cc1cc(C#N)ccc1CONC(=N)[C@@H]1CC(Br)=NO1 1616036711 UKOZZQYVWXSQHD-NSHDSACASA-N 337.177 2.362 30 40 EEEB COc1cc(=O)n(C)cc1C(=O)Nc1sc2c(c1C#N)CCC2 225652237 SPRMOELCFGCEKR-UHFFFAOYSA-N 329.381 2.068 30 40 EEEB N#Cc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 595624916 MFMGJICIXZTQSX-KDURUIRLSA-N 345.402 2.175 30 40 EEEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N2CCCC2)CC1 32857655 DPUUXYQQUQRMKL-UHFFFAOYSA-N 328.372 2.305 30 40 EEEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccc(F)cc1 408527336 MDBXEMUNIWAXDR-GVARAGBVSA-N 343.358 2.411 30 40 EEEB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(C#N)cc1 9378548 RQMMQQWTDIQCQH-UHFFFAOYSA-N 345.380 2.326 30 40 EEEB Cc1ccccc1NC(=O)Cc1nc(Cn2cnc(C#N)n2)cs1 14143618 CKHMUZOVCDKSQI-UHFFFAOYSA-N 338.396 2.144 30 40 EEEB C=CCNC1=NC(=O)C[C@@H](C(=O)Nc2ccc(OCC)cc2)S1 4690232 VKDKOENPQXUYCE-ZDUSSCGKSA-N 333.413 2.188 30 40 EEEB CN(Cc1nccn1C(F)F)S(=O)(=O)c1cccc(F)c1C#N 96427675 NERLJNDBXZMASE-UHFFFAOYSA-N 344.318 2.110 30 40 EEEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccccc2[N+](=O)[O-])n1 7653442 CPVGYADJOXSUQH-LLVKDONJSA-N 345.336 2.393 30 40 EEEB N#Cc1ccsc1N1CC[C@@H](Sc2ncnc3nc[nH]c23)C1=O 83092313 XPFYJODQHXEABJ-SECBINFHSA-N 342.409 2.184 30 40 EEEB CCOC(=O)c1ccc(Cn2c(C)cc(COC)c(C#N)c2=O)cc1 408602757 DOUHUTCZQKDNAD-UHFFFAOYSA-N 340.379 2.400 30 40 EEEB N#Cc1cnc(NC[C@@H](O)CN2CCc3ccccc3C2)c(Cl)c1 79353706 VGOIVPRRUDGLOY-MRXNPFEDSA-N 342.830 2.438 30 40 EEEB COc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 194301938 LAGKMXGVLCDQDT-UHFFFAOYSA-N 337.383 2.316 30 40 EEEB N#Cc1cccc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)c1 96067048 DANIIFLFWHOBRI-GOSISDBHSA-N 332.411 2.283 30 40 EEEB CC(C)NC(=O)N1CCO[C@]2(CCCN(c3cccc(C#N)c3)C2)C1 96226298 TUIWXSPDUXUJLJ-IBGZPJMESA-N 342.443 2.347 30 40 EEEB C=CCN1CC[C@]2(CN([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201901 HOJMSNCSGAGBQM-CMKODMSKSA-N 326.440 2.279 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC#N)C1 1615571381 KNPIMYXXSOWPQS-UONOGXRCSA-N 336.436 2.331 30 40 EEEB Cc1noc([C@H]2CN(CCOc3ccccc3C#N)C[C@@H](C)O2)n1 599612936 YVBKYBWSMLJLCN-MLGOLLRUSA-N 328.372 2.091 30 40 EEEB COc1ccc(CC(=O)NCC#CCOc2ccccc2OC)cc1 90610378 RIRQPNDJUZCEHR-UHFFFAOYSA-N 339.391 2.445 30 40 EEEB N#Cc1cccnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1776009284 ZGHWKXRODOSDEA-UHFFFAOYSA-N 327.409 2.396 30 40 EEEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3ccccc3F)[C@@]12C#N 19857651 JLVQOIUVWRBVHK-NUEKZKHPSA-N 328.347 2.040 30 40 EEEB CN(c1nc2cc(Cl)ccc2o1)C1CN(c2nccnc2C#N)C1 1889180516 VVZNBJHFDOJIJC-UHFFFAOYSA-N 340.774 2.468 30 40 EEEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccccc1 6050211 OYPZSBWRPLJXBY-ZDUSSCGKSA-N 337.379 2.264 30 40 EEEB C#CCOc1ccccc1CN1CCC(N2CCCNC2=O)CC1 93669351 NDJXOSZHOBVFCB-UHFFFAOYSA-N 327.428 2.078 30 40 EEEB C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 15197245 OYUXZHYXCFLNIY-LBPRGKRZSA-N 328.393 2.453 30 40 EEEB C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC1(C#N)CCCCC1 16290775 SONLKJGFIRTMRN-LLVKDONJSA-N 336.465 2.251 30 40 EEEB CCN1C/C(=C/c2csnn2)C(=O)/C(=C/c2csnn2)[C@H]1C 69979740 IRYBUEYXCKFYMF-KGVUNOIPSA-N 333.442 2.150 30 40 EEEB CCOC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2C#N)C1 72301967 MTBHGCLOYCMHKH-LBPRGKRZSA-N 326.393 2.135 30 40 EEEB N#C[C@@]1(NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CCSC1 76092646 YQGJITDQNVDKLT-KGLIPLIRSA-N 343.374 2.395 30 40 EEEB Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1 408526540 DINYYENRODCOOB-YXBWHSABSA-N 339.395 2.453 30 40 EEEB CCCn1c(SC/C(O)=N/c2ncn[nH]2)nc2ccccc2c1=O 33175349 CINOVWCMFLHUJS-UHFFFAOYSA-N 344.400 2.305 30 40 EEEB Cc1nnsc1C(=O)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 225558979 BMLHFXQJCPAEKX-ZDUSSCGKSA-N 341.440 2.237 30 40 EEEB N#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1 538766547 WDLIKWQCKQGKBQ-WBMJQRKESA-N 329.306 2.180 30 40 EEEB C#CCN1CCC(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)CC1 74035697 GCLNSKVPSFRRCU-MRXNPFEDSA-N 336.439 2.395 30 40 EEEB CCOC(=O)c1cnc(S[C@H](C#N)Cc2ccccc2)nc1N 24755386 UNOFWUQSWQLUCY-LBPRGKRZSA-N 328.397 2.462 30 40 EEEB Cc1ccc(C(N)=O)c(OCC(=O)N(CCC#N)c2ccccc2)c1 32789217 CPBKWPZAQDXMTI-UHFFFAOYSA-N 337.379 2.420 30 40 EEEB Cc1ccc(NC(=O)[C@H](C)O/N=C(/N)[C@H](C)n2ccnc2)c(F)c1 72286207 VKWOFHQPAPZIJP-RYUDHWBXSA-N 333.367 2.208 30 40 EEEB N#Cc1c(F)cccc1NCCNC(=O)C(F)(F)Br 58217843 PYANTHDHUCVJNA-UHFFFAOYSA-N 336.111 2.213 30 40 EEEB N#Cc1ccc(CN2CCN(C(=O)CC[C@H]3CCCO3)CC2)cc1 46148764 ILLINZNMVIUQNN-GOSISDBHSA-N 327.428 2.162 30 40 EEEB O=C(O)c1ccc(S(=O)(=O)/N=C2/C=CC(=O)c3ccccc32)cc1 100869612 PDKVQEOYHRTSBN-SDXDJHTJSA-N 341.344 2.315 30 40 EEEB Cc1ccc(S(=O)(=O)/N=C(\O)CN2CCCCCC2=O)c(C)c1 48475359 SNQCZHQANNEFBY-UHFFFAOYSA-N 338.429 2.351 30 40 EEEB Cc1cc(C)c2c(c1)/C(=N\NC(=S)NC[C@H]1CCCO1)C(O)=N2 13122278 YKOYSUKCYDKJDN-LLVKDONJSA-N 332.429 2.252 30 40 EEEB N#Cc1cnc(SCCCn2c(=O)oc3ccccc32)nc1N 65589684 KXPAVPUZAHFQGZ-UHFFFAOYSA-N 327.369 2.021 30 40 EEEB CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CC(N)=O)CC1 65529369 UBWSHNLRPCYCFA-GOSISDBHSA-N 343.427 2.076 30 40 EEEB N#Cc1ccccc1OCCN1CCCN(c2ncccc2C#N)CC1 71824886 AWFDTHMBYFMIII-UHFFFAOYSA-N 347.422 2.416 30 40 EEEB CC[C@H](C)n1ncc2c(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc(C)nc21 69389061 OXGYOCGSWFOVJL-JTQLQIEISA-N 348.370 2.429 30 40 EEEB CC[C@H](C#N)NC(=O)c1cc(Br)c2c(c1)OCCO2 69454427 MSUKZNKPJFAGFP-SECBINFHSA-N 325.162 2.252 30 40 EEEB Cc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc23)n1C 8987231 ITZIAFAROSVCGJ-UHFFFAOYSA-N 327.369 2.472 30 40 EEEB C[C@@H](NC1CCN(C(=O)c2cnccn2)CC1)c1cccc(C#N)c1 97034711 LFLMNKXHDXJYII-CQSZACIVSA-N 335.411 2.304 30 40 EEEB N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccccn2n1 97098425 SWJHXMIDPHCYBH-UHFFFAOYSA-N 333.760 2.055 30 40 EEEB Cc1cc(N2CCC(c3nc(N(C)C)n[nH]3)CC2)nc(C)c1C#N 575603583 VQRNUCRYHWQOFS-UHFFFAOYSA-N 325.420 2.138 30 40 EEEB CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 84972547 DVVPMTNVLZSHNO-HUUCEWRRSA-N 332.473 2.255 30 40 EEEB COC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 96403611 JNIQUKOHWSWKIN-QWHCGFSZSA-N 340.301 2.258 30 40 EEEB C[C@@H]1CN(c2nccc(C#N)n2)CCN1Cc1ccc(F)cc1F 2086928910 QFMIYDXNMUHKDB-GFCCVEGCSA-N 329.354 2.337 30 40 EEEB O/C(=N\c1nc(-c2ccccn2)n[nH]1)c1cn(Cc2ccccc2)nn1 48344113 XFGGZRVPFQHOGJ-UHFFFAOYSA-N 346.354 2.143 30 40 EEEB C=C(C)CNC(=S)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 7517370 ZLCZPFRJLOBHBQ-UHFFFAOYSA-N 327.475 2.108 30 40 EEEB CCN(CC(=O)NCCC#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 68957312 BSYPXJFJGHGFSR-WMZOPIPTSA-N 328.460 2.174 30 40 EEEB N#Cc1nccnc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 69519955 AQIHBAAMIDISGO-UHFFFAOYSA-N 344.762 2.236 30 40 EEEB C=CCNC(=O)CN(CC(=O)N1CCCCC1)c1ccc(C)cc1 69701786 NLQGASWJWAKJHO-UHFFFAOYSA-N 329.444 2.116 30 40 EEEB COc1cc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc(OC)c1O 18195941 OCDCSLQRLNJUAL-HNNXBMFYSA-N 342.355 2.023 30 40 EEEB C/C(=C\C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccncc1 98056547 LIGIBBWOGGZHEV-JLHYYAGUSA-N 341.392 2.003 30 40 EEEB CC/N=C(/NCc1noc(C)n1)N(C)Cc1nc2c(s1)CCCC2 95964944 OOXYKSQAWNAVEO-UHFFFAOYSA-N 348.476 2.311 30 40 EEEB C=C(Cl)CS(=O)(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1 195578848 QWENNEMAYZSISZ-AWEZNQCLSA-N 333.812 2.406 30 40 EEEB N#Cc1cc(NC(=O)NC2(CO)CCCC2)ncc1Br 195578997 ZBGCVYFNBVSXJB-UHFFFAOYSA-N 339.193 2.142 30 40 EEEB C#CCCCC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F 585087380 DNOPCSUCELUVBV-ZDUSSCGKSA-N 338.329 2.426 30 40 EEEB COc1nc(OC)c(B2OC(C)(C)C(C)(C)O2)cc1Br 642814784 WQTBRJXJMQQZQK-UHFFFAOYSA-N 344.014 2.161 30 40 EEEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 5024219 CQGBJIWEJYYPTB-WYOAVMSUSA-N 339.351 2.434 30 40 EEEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C\C(=O)C(C)(C)C)C(=O)O2 102397758 OQFCZWWXMYULTF-XFXZXTDPSA-N 337.397 2.310 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 103767992 PGQZAXMIIAZTKT-APYUEPQZSA-N 326.352 2.418 30 40 EEEB CC(C)(C)OC(=O)N1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 54841215 RIQYKXSMOCOPTK-UHFFFAOYSA-N 344.415 2.049 30 40 EEEB N#Cc1ccc(NCC(=O)NCc2ccnc(N3CCCC3)c2)cc1 58014472 RORULQGOBHWDLO-UHFFFAOYSA-N 335.411 2.282 30 40 EEEB C=CCN(C(=O)c1cc2ccc(C)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 58330158 ZJVUUTGADUVOEV-CQSZACIVSA-N 332.425 2.292 30 40 EEEB C=CC[C@H]1N(c2ccccc2C)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4029002 YVOPSVWVGZDOKC-MZZPOWALSA-N 325.364 2.311 30 40 EEEB biogenic CC[C@@H](CO)N1CC(=O)C(c2nc(-c3ccc(C)cc3)cs2)=C1N 6935939 ZARWROBRLLLGGG-ZDUSSCGKSA-N 343.452 2.401 30 40 EEEB N#CCN(CC#N)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 71850338 YVHLVNUIRXQEMQ-SFHVURJKSA-N 346.390 2.424 30 40 EEEB C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@H](C#N)CCC#N)CC1 69485215 FBZHLWWOYXCEJT-KGLIPLIRSA-N 328.420 2.069 30 40 EEEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2C1 17321995 PNZMETKTMKQFCA-UHFFFAOYSA-N 335.407 2.381 30 40 EEEB CC(C)Cn1nnnc1S[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 73867368 GVJKPQKAOCITOZ-CQSZACIVSA-N 342.428 2.098 30 40 EEEB CCc1nc(CN2CCC(C/N=C(\N)N(C)C3CC3)CC2)cs1 181479159 QAKARTYLSURHSB-UHFFFAOYSA-N 335.521 2.326 30 40 EEEB N#Cc1ccc(NCc2ccc(N3CCNC(=O)C3)c(F)c2)c(F)c1 95396572 SDYZRRIJWMWRCL-UHFFFAOYSA-N 342.349 2.385 30 40 EEEB C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nc2ccsc2c1=O 11271916 WRXMNQGTEOUJOG-VIFPVBQESA-N 335.454 2.403 30 40 EEEB COc1cc([C@@H]2Nc3nonc3NC3=C2C(=O)CCC3)ccc1O 12407635 OAFVFKPTVKGQND-AWEZNQCLSA-N 328.328 2.370 30 40 EEEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)c(OCC)c1 6354934 ZEHULFQJBGLOSZ-HNNXBMFYSA-N 348.424 2.313 30 40 EEEB CC(C)[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 14198433 AVJBKAWHYISUKQ-CQSZACIVSA-N 346.818 2.418 30 40 EEEB C=CCN1CCN(C(=O)c2n[nH]nc2Nc2ccc(CC)cc2)CC1 67284256 SGUNSDNTCQIAGR-UHFFFAOYSA-N 340.431 2.055 30 40 EEEB CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C(=O)N[C@@H](C)CC 68547078 DWCOMYNEDDBCPN-NWDGAFQWSA-N 332.404 2.382 30 40 EEEB Cn1cc(C(=O)NC2CCN(c3ccc(C#N)c(Cl)c3)CC2)cn1 71894062 AGIWGXXBXDPCDF-UHFFFAOYSA-N 343.818 2.344 30 40 EEEB C=CCNC(=O)C1(NC(=O)COc2ccccc2OC)CCCCC1 69327823 XAAVYFQIDPKGQQ-UHFFFAOYSA-N 346.427 2.195 30 40 EEEB N#Cc1ccc(OCCSc2nnnn2CC(F)(F)F)cc1 69485489 WGETZDRICXCIAM-UHFFFAOYSA-N 329.307 2.278 30 40 EEEB C#CCNC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 18486840 IMOOMKHDKLJZNG-UHFFFAOYSA-N 326.425 2.045 30 40 EEEB N#Cc1ccsc1N1CC[C@H](Nc2ccc3oc(=O)[nH]c3c2)C1=O 83047163 HXIPQUGMYIZBKQ-NSHDSACASA-N 340.364 2.272 30 40 EEEB C#CCN1CCCC[C@H]1C(=O)N(C)C[C@H]1OCCc2ccccc21 72230269 MNFVRDUYUAYVNU-RBUKOAKNSA-N 326.440 2.247 30 40 EEEB Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C 72300201 YKZDOOUARLVNKJ-MRXNPFEDSA-N 344.440 2.225 30 40 EEEB CC[C@@H]1C[C@@H](CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)CCO1 560671361 QGEYARVEGYWWAA-GXTWGEPZSA-N 327.384 2.439 30 40 EEEB Cc1ccc(S(=O)(=O)[C@H]2C[C@@]2(C=O)NC(=O)OC(C)(C)C)cc1 217993945 GBEZNWARGBEOAS-BBRMVZONSA-N 339.413 2.003 30 40 EEEB CCOC1(C(O)=Nc2nnn(Cc3noc(C)n3)c2C)CCCC1 328906048 KLKDPLKMUQWOLD-UHFFFAOYSA-N 334.380 2.264 30 40 EEEB C#CCN(C)Cc1nc(C2(O)CCN(C3CCCC3)CC2)cs1 225469502 WYKGDKGCWKUVBU-UHFFFAOYSA-N 333.501 2.434 30 40 EEEB biogenic,in-vitro CN(CCC#N)c1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1 7126959 DPSWUKREBNTIFD-KRWDZBQOSA-N 345.410 2.482 30 40 EEEB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C#N)cc1F 10810330 UNFQFGUXQMYEQW-LLVKDONJSA-N 345.399 2.296 30 40 EEEB N#Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1 2647136 KYTQBXCLMCSDPV-UHFFFAOYSA-N 337.379 2.412 30 40 EEEB COCCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2nc(C)[nH]c2c1 96011198 VBFOMDZZQXGOQM-UHFFFAOYSA-N 349.394 2.427 30 40 EEEB N#Cc1c(F)cccc1S(=O)(=O)Nc1cccc(-c2ncn[nH]2)c1 71916111 UPEVODWMXAJDPR-UHFFFAOYSA-N 343.343 2.283 30 40 EEEB Cc1cnn(CCNCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 70015742 PYKHVWCTXCJBQW-UHFFFAOYSA-N 343.456 2.232 30 40 EEEB CN(C)C(=O)CC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 97080532 CMXQFBSVZRMXKV-UHFFFAOYSA-N 346.406 2.097 30 40 EEEB CC(C)C[C@@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O 3086825 XOMHVLOQFFOXKX-RXMQYKEDSA-N 327.196 2.435 30 40 EEEB biogenic N#CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 141422897 YVHVWIFFMZEAJK-WJDWOHSUSA-N 333.372 2.359 30 40 EEEB CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)NCCC#N)C1 1615571379 KNPIMYXXSOWPQS-KGLIPLIRSA-N 336.436 2.331 30 40 EEEB Cc1nc(C2(NCC(=O)N[C@@](C)(C#N)C3CC3)CCCCCC2)no1 69950078 CINFDLNTNFNXPH-KRWDZBQOSA-N 345.447 2.326 30 40 EEEB C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc([N+](=O)[O-])c1 13640006 QMQIWMMDZSHAAO-RFAUZJTJSA-N 325.328 2.454 30 40 EEEB N#Cc1ccccc1N1CCCN(C(=O)NCCc2ccccn2)CC1 42964548 LCGNIHWXHILMKU-UHFFFAOYSA-N 349.438 2.418 30 40 EEEB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ncc(C#N)c(N)n2)c1 7045805 SOAOQCGPASXYLG-JTQLQIEISA-N 341.396 2.252 30 40 EEEB C[C@H](O)[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 110711081 DJESYXFDJSHQIA-ZVZYQTTQSA-N 327.428 2.146 30 40 EEEB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 65621006 MQTADMZLWQMESW-KRWDZBQOSA-N 342.443 2.252 30 40 EEEB C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)C)C2)c1 67557171 CGELFDINSBSYML-MRXNPFEDSA-N 345.443 2.179 30 40 EEEB C#CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 72268227 SWCUXJVZCACLIJ-XJKSGUPXSA-N 331.372 2.480 30 40 EEEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(N)C#N)cc1 218500856 XJJIRDXQLFLKQA-ZACQAIPSSA-N 330.384 2.295 30 40 EEEB CN(C=O)c1ccc(C(=O)Cn2ncnc2-c2cccc(C#N)c2)cc1 95417372 NRSGYBGRKGAFNP-UHFFFAOYSA-N 345.362 2.292 30 40 EEEB C[C@H](N[C@H]1CCCc2c1cnn2C(C)(C)C)C(=O)N(C)CCC#N 76046823 LAXKDYBDDBVHGK-ZFWWWQNUSA-N 331.464 2.366 30 40 EEEB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(C)no2)cc1 5565865 YZTAZNPIVBISLK-UHFFFAOYSA-N 327.340 2.395 30 40 EEEB O=C(C#Cc1ccccc1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 155196317 GIGNENODDXARDQ-WOJBJXKFSA-N 335.403 2.389 30 40 EEEB Cc1nc(C2CCC2)cc(N2CCN(c3nccc(C#N)n3)CC2)n1 1888854302 WXTSJCZWLGYQNS-UHFFFAOYSA-N 335.415 2.041 30 40 EEEB Cc1nn(C)c(C)c1/C=C/C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 100871153 CPXHNUFTXGGABH-ZNFPLGDCSA-N 328.416 2.208 30 40 EEEB N#Cc1c(NC(=O)COC(=O)c2cnccn2)sc2c1CCCC2 3563417 LOLOELIYZCXXBH-UHFFFAOYSA-N 342.380 2.084 30 40 EEEB C[C@@H](/N=C(\S)NCCCN1CCOCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 101527801 RCRSUUKSJLBIGR-KLHDSHLOSA-N 325.522 2.409 30 40 EEEB C=CCN1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@@H]21 13627299 NBJYMRWDIZKRDC-KBPBESRZSA-N 340.445 2.082 30 40 EEEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 5377119 TZHILZQQHPRLHL-FJOSAAFMSA-N 338.454 2.006 30 40 EEEB C=CC[C@@H](C)[C@@H](C)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 90035651 BHNWZEXUGSDARL-HUUCEWRRSA-N 344.521 2.150 30 40 EEEB CS(=O)(=O)N1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 70009042 XIENUIDBNUNSQP-UHFFFAOYSA-N 347.362 2.049 30 40 EEEB CN(CCC#N)C(=O)CN(C[C@@H](O)c1ccccc1)CC(C)(C)C 70020056 FDHMVEHYBYOUSN-QGZVFWFLSA-N 331.460 2.440 30 40 EEEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1 17066583 FEIFNQZDWYBITD-MQKOUEBOSA-N 325.324 2.126 30 40 EEEB Cc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1 75180794 VXOSLNVZAMZRAD-UHFFFAOYSA-N 336.395 2.475 30 40 EEEB N#Cc1ccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)cc1 216780628 CZVGJNBDXALIMG-GOSISDBHSA-N 335.367 2.322 30 40 EEEB CC(C)[C@@H]1C[C@@H](C/N=C(/O)Cn2ncn(C)c2=O)c2ccccc21 329859522 OVVSQNVKJAWOKU-BBRMVZONSA-N 328.416 2.465 30 40 EEEB CCCCCCCCn1c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 96019928 GCEHGEVGSMPSSQ-UHFFFAOYSA-N 345.447 2.355 30 40 EEEB C/N=C(/NCc1ccon1)N[C@H]1CCCN(c2cc(C)ccc2F)C1 96462461 PKICULADOIPRPK-HNNXBMFYSA-N 345.422 2.456 30 40 EEEB C=C[C@](C)(CCOC)C(=O)NCc1csc(-c2ccn(C)n2)n1 1596018751 CCEPWAZRAFSACD-MRXNPFEDSA-N 334.445 2.389 30 40 EEEB CN1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1c1nc(C2CC2)no1 583617679 DEMUXDMDXBRECA-MRXNPFEDSA-N 341.390 2.446 30 40 EEEB CNC(=O)c1c(C)cccc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O 81156313 WEFUKYGSMNNFSI-KRWDZBQOSA-N 348.406 2.444 30 40 EEEB C=CCN(C)C(=O)[C@H]1CCCN1C(=O)c1cncn1-c1ccccc1 521396426 WSWWFYRTUMVVIX-MRXNPFEDSA-N 338.411 2.121 30 40 EEEB COCC(=O)N1CCC(F)(F)[C@]2(CCN(c3cccc(C#N)c3)C2)C1 2055803751 SHZZEHMVZWSHEV-KRWDZBQOSA-N 349.381 2.269 30 40 EEEB C=CCCn1nc2c(=O)n(-c3ccc(C)c(Cl)c3)ccn2c1=O 2298075467 CMDAEYLYFATPHJ-UHFFFAOYSA-N 330.775 2.185 30 40 EEEB CN(C)C(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 103154368 UHRULXXWLVKLNO-UHFFFAOYSA-N 348.355 2.167 30 40 EEEB Cc1ccc2c(c1)c(=O)n(C)c1nnc(COc3ccccc3C#N)n21 40536223 LSJIQVLPLQPCDP-UHFFFAOYSA-N 345.362 2.340 30 40 EEEB CCOC(=O)/C(=N/Nc1cccc(C(F)(F)F)c1)NCCN(C)C 25326746 FTXLKHWBLRDIFJ-UHFFFAOYSA-N 346.353 2.145 30 40 EEEB COc1ccc([C@H]2CCN(CC(=O)N(CCC#N)CCC#N)C2)cc1 58379512 UIFBAOMJWJRBKG-KRWDZBQOSA-N 340.427 2.140 30 40 EEEB C=CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C 3205638 XNPPIYOLPTVZFL-AWEZNQCLSA-N 331.328 2.294 30 40 EEEB CNC(=O)[C@@H](C#N)C(=O)c1cccc(COc2cccc(F)c2)c1 102754063 BKEULUZECYOSAT-INIZCTEOSA-N 326.327 2.473 30 40 EEEB C=C(C)[C@@H]1CC=C(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 3881890 GHIGRDADUISATB-DINLJIAVSA-N 329.396 2.156 30 40 EEEB biogenic Cc1cnn(C[C@H]2CCCN2CC(=O)NC2(C#N)CCCCCC2)c1 71875866 TZTIEEUHMPMRRC-QGZVFWFLSA-N 343.475 2.389 30 40 EEEB CC(C)COC1CCN(C(=O)CN(C)c2ccc(C#N)cn2)CC1 67806179 PZQWTAQKANEKIX-UHFFFAOYSA-N 330.432 2.053 30 40 EEEB C=CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)NC1=S 408902586 KQFRWGVZTJBTPF-ACCUITESSA-N 345.424 2.083 30 40 EEEB C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)CCC 217522898 NHTDBAUKSKZUJX-NSHDSACASA-N 326.418 2.450 30 40 EEEB Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 528970009 UUUOEFXDGULNGZ-STQMWFEESA-N 345.305 2.412 30 40 EEEB N#CC1(C(=O)N2CCN(c3nncc4ccccc34)CC2)CCCC1 96418521 AAHBEPKDPFFTDF-UHFFFAOYSA-N 335.411 2.362 30 40 EEEB COCCC(=O)N1CCC(N/C(O)=N/Cc2cscc2C)CC1 331172297 WAJVBHGGSSXODY-UHFFFAOYSA-N 339.461 2.088 30 40 EEEB